#DEFINITION	Reference Metabolome for Begonia cucullata
#IDENTTFIER	RefMeta-Begonia cucullata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Begonia cucullata
#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 Begonia cucullata was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	16.5
71.05058	0.7
72.99313	1.6
73.02958	2.3
75.00878	0.4
80.02699	0.7
81.03471	1.2
83.01407	1.3
83.05013	1.5
84.02175	0.4
85.02961	3.8
87.00883	3.4
89.02443	13.1
95.01390	1.7
95.05050	1.0
96.96021	0.7
97.02940	2.6
97.06622	0.9
97.13026	0.3
98.03750	0.5
98.20683	0.6
99.00890	1.0
99.04539	0.6
99.08206	0.3
99.92596	0.4
101.02446	11.4
106.04256	0.3
109.02934	0.5
109.05791	0.5
109.06608	1.7
110.03750	0.6
111.00893	0.6
111.04535	0.8
111.06705	0.4
111.08176	1.0
112.05320	0.5
112.98595	1.1
113.02454	6.5
114.93343	0.3
115.07680	0.6
116.53699	0.3
116.92860	3.8
117.92897	0.4
119.03516	3.4
119.04252	0.4
121.02962	0.4
123.04591	0.4
123.08144	1.1
125.02438	4.2
125.06100	0.8
125.09710	2.3
126.90516	2.7
127.07674	1.1
129.01944	0.6
130.47498	0.3
131.03500	0.5
132.90044	1.4
133.05112	0.8
135.08160	1.1
136.05389	0.4
137.09787	0.4
139.04039	0.6
141.01967	0.8
141.09286	0.6
141.12895	0.6
143.03510	1.8
149.04530	0.4
153.09207	4.6
153.10335	0.4
153.12811	0.6
161.04514	2.5
162.10617	0.4
163.11293	4.8
165.09317	0.3
165.12856	6.9
166.09993	0.4
171.10258	8.9
177.12802	0.9
178.09981	1.3
179.05600	4.4
179.14444	2.0
180.15002	0.3
181.12323	2.1
185.11838	1.9
191.10799	0.7
191.14456	0.9
193.15933	2.1
195.13875	3.8
197.11813	3.0
197.15565	0.4
202.09966	0.5
207.10243	0.6
209.11819	16.8
211.13408	1.1
217.07156	0.8
221.06660	1.5
221.11743	0.4
223.13402	5.1
225.11378	0.7
229.03683	0.4
235.08217	4.0
238.12086	0.5
245.19089	1.5
247.20630	7.0
253.09294	0.7
256.13132	0.8
263.07684	0.4
263.20236	0.6
265.21658	0.6
271.17111	0.5
273.18652	1.9
275.20154	2.7
287.07712	1.2
289.18088	4.2
291.19659	67.8
292.20001	3.6
293.21228	41.7
294.21567	1.9
297.20697	1.0
305.08774	1.4
305.21060	0.4
307.19147	23.5
308.19501	1.2
309.20697	100.0
310.21042	5.2
323.09760	1.3
325.20193	13.6
326.20755	0.4
327.21689	1.3
379.12387	1.5
397.13483	33.1
398.13733	1.2
415.14554	15.0
416.15012	0.6
450.58295	0.3
545.68372	0.4
569.24640	0.4
601.41095	0.4
673.34161	0.7
687.31989	3.6
688.31873	0.4
689.33112	1.6
691.35126	2.1
705.33356	4.7
706.34113	0.4
707.35522	0.5
722.36908	0.4
723.34546	1.6
740.98242	0.3
845.45422	0.5
855.43616	0.4
900.89459	0.4
912.47546	2.1
930.48322	0.5
939.01477	0.4
963.51825	0.5
981.54236	15.8
982.54938	1.9
999.55341	7.7
1000.55585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61620	0.5
69.75246	0.9
69.75648	1.7
71.01383	21.4
71.05022	1.5
72.99316	2.5
73.02946	4.1
78.03035	0.5
79.95718	0.6
80.02675	1.2
81.03471	2.9
83.01384	2.0
83.05027	4.9
84.02194	0.9
85.02953	6.5
87.00880	5.6
88.98826	0.9
89.02445	19.1
95.01398	1.8
95.05023	1.8
96.95998	3.2
96.96968	0.8
97.02943	2.8
97.06599	1.9
98.20546	0.8
99.00893	1.2
99.04520	1.8
99.08142	0.8
99.92588	1.1
101.02444	17.0
107.05040	0.7
107.72145	0.5
109.02963	1.1
111.00874	0.8
111.31892	0.5
112.05310	1.0
113.02460	8.8
114.93396	2.1
115.07653	1.7
116.92854	8.0
119.03495	5.4
121.02952	0.8
123.04485	0.6
123.08131	0.8
123.48578	0.5
125.02454	5.7
125.06042	0.8
125.09712	5.7
126.90498	2.2
127.07679	3.0
127.11301	1.2
131.03484	1.6
134.89502	0.5
135.08133	2.7
137.02461	0.5
137.09731	1.3
138.06886	0.6
139.04022	0.6
139.07643	0.8
141.01958	1.2
141.09253	0.9
143.03485	2.7
149.04611	0.6
153.09212	15.7
155.10756	1.6
161.04544	4.1
163.11282	3.8
165.12856	3.8
167.10782	0.7
169.12257	0.6
171.10268	25.2
172.10550	0.8
177.12894	0.9
178.09991	3.6
179.05637	7.9
179.10750	0.8
179.14420	0.9
181.12355	1.6
183.13902	1.2
185.11853	4.7
191.10783	1.8
191.14377	1.7
195.13901	7.8
196.14360	0.6
197.11838	7.4
205.12280	0.7
207.10226	0.9
209.11819	62.3
210.12088	1.8
211.13361	2.1
221.06654	3.2
223.13408	6.2
225.14978	0.8
227.12856	1.1
228.13721	0.9
229.14320	0.7
235.08264	2.9
236.10532	1.5
237.11353	0.7
238.12119	1.9
245.19106	3.6
253.09311	1.1
254.26537	0.6
256.13092	1.6
263.20078	1.1
265.18015	0.6
271.16840	0.9
275.20169	3.9
279.19653	1.7
281.21249	0.9
287.07742	1.1
289.18106	15.1
289.21390	0.8
291.19617	5.9
293.21225	100.0
294.21606	4.9
297.20673	3.6
305.08749	1.2
307.19144	82.7
308.19553	3.6
309.20682	8.3
323.09717	1.3
325.20178	39.6
326.20578	2.4
327.21701	4.4
341.10724	0.8
379.12582	2.5
397.13495	36.1
398.13806	1.5
415.14542	17.5
416.14874	0.8
551.23334	0.7
569.24548	3.6
583.39630	0.8
601.40985	0.8
618.25403	0.8
636.26355	0.6
673.34357	2.0
687.23022	0.5
687.32306	12.1
688.32819	1.1
689.33936	1.1
691.35382	3.3
705.33398	29.3
706.33649	3.2
707.34540	1.1
723.34357	6.6
724.34125	0.9
767.77850	0.5
912.47351	7.4
913.48047	0.7
930.48059	1.4
981.54254	45.6
982.54364	6.4
999.55267	21.1
1000.55548	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	990.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52425	0.6
85.02943	1.0
101.23498	0.4
107.01390	1.3
108.02168	0.8
109.02898	0.7
117.27777	0.5
151.00363	5.9
163.00327	1.1
166.60899	0.5
178.99828	3.1
211.03862	0.5
226.02788	0.8
227.03517	0.8
243.02962	4.4
243.08994	0.5
245.04439	0.9
248.46484	0.5
254.02272	0.7
255.02986	12.2
256.03595	0.8
271.02460	29.4
272.03055	2.1
273.03995	0.8
300.02740	68.3
301.03488	28.9
302.03912	0.8
359.31534	0.5
391.56592	0.5
463.08813	100.0
464.09143	7.1
561.51611	0.5
575.98602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65054	100.0
70.65369	71.3
74.95231	43.5
93.94465	50.6
222.68311	56.5
238.51625	50.3
280.93967	59.9
434.46069	70.8
492.43378	60.1
587.20245	56.4
1022.10999	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08372	0.1
73.02941	0.9
88.98804	0.1
92.92775	0.1
97.93160	0.3
99.00871	0.2
99.92586	15.1
100.92606	0.5
100.93215	0.1
103.00352	0.1
110.84974	0.1
114.46883	0.1
114.93417	2.4
115.00334	0.1
116.92862	100.0
117.01931	1.5
117.92870	2.8
118.92637	0.2
134.89478	1.6
136.89143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	0.2
73.02943	0.6
75.00854	0.1
75.85769	0.1
85.02977	0.1
88.98809	0.1
96.96014	0.2
98.20758	0.2
99.00853	0.2
99.92583	14.2
100.92614	0.4
100.93237	0.1
101.02444	0.1
114.93417	0.8
115.92039	0.1
116.92860	100.0
117.01932	0.9
117.92866	2.8
126.90516	0.1
131.91571	0.1
171.10300	0.1
175.69879	0.1
209.11719	0.1
253.09229	0.1
309.21005	0.1
386.20752	0.1
529.74878	0.1
567.54962	0.1
699.04089	0.1
925.52576	0.1
926.51953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02942	0.7
79.62695	0.0
83.93085	0.1
88.98823	0.1
96.96015	0.1
97.93129	0.1
98.20658	0.1
99.00872	0.1
99.92583	15.1
100.92593	0.4
100.93330	0.1
114.93424	0.8
116.92859	100.0
117.01923	1.2
117.02733	0.1
117.92861	2.7
120.50046	0.0
131.91585	0.1
185.43364	0.0
209.11839	0.1
229.50346	0.0
307.19046	0.1
718.48199	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03479	0.3
69.36451	1.7
83.01385	0.4
83.07380	0.2
107.01402	1.6
108.02155	0.8
109.02967	0.5
110.00333	0.2
121.02941	0.8
125.02477	0.3
135.00923	0.3
148.01686	0.6
151.00374	6.4
163.00363	1.2
164.01035	0.3
178.99879	2.7
187.04018	0.4
190.99896	0.2
192.00735	0.2
198.03003	0.3
199.04018	0.4
211.03984	0.4
216.04358	0.3
226.02647	0.7
227.03426	1.3
229.05078	0.4
243.02971	4.5
244.03670	0.3
245.04591	0.4
254.02200	1.1
255.02986	14.3
256.03430	0.7
271.02469	30.2
272.03024	1.9
273.03998	0.5
283.02454	0.4
299.02002	0.9
300.02737	65.2
301.03464	19.4
302.03656	0.6
334.81940	0.3
343.04495	0.8
379.06494	0.4
385.70251	0.2
447.09357	0.6
609.14594	100.0
610.14862	7.6
790.62201	0.3
790.84363	0.2
821.92865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36797	0.0
69.84873	0.0
71.01411	0.1
71.51512	0.1
73.02937	0.9
73.84084	0.1
75.00876	0.1
79.95709	0.1
81.73505	0.1
88.98846	0.1
96.96024	0.5
97.93173	0.1
99.00873	0.1
99.92583	14.8
100.92627	0.4
100.93324	0.1
103.00368	0.1
114.93423	0.9
116.92860	100.0
117.01928	1.5
117.92862	3.0
126.90588	0.1
131.91556	0.1
134.89508	0.3
145.89348	0.0
169.08702	0.1
209.11771	0.1
291.19769	0.1
307.19019	0.0
307.92239	0.1
371.24484	0.1
546.75006	0.0
802.87286	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	985.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.6
69.86808	0.5
71.01382	10.2
71.05014	0.4
72.99304	0.7
73.02934	1.5
77.60902	0.1
78.51752	0.1
81.03470	0.7
83.01385	1.1
83.05019	0.5
84.02177	0.4
85.02950	8.5
87.00875	2.2
89.02443	9.3
91.11319	0.2
91.88022	0.1
93.03460	0.3
95.01389	0.9
95.05032	0.6
96.96019	0.4
97.02942	2.3
97.03516	0.3
97.06583	2.0
99.00867	0.5
99.04482	0.2
99.92593	1.2
101.02440	8.1
109.02933	0.3
109.06586	0.3
110.03747	0.2
111.00935	0.2
111.08102	0.2
113.02449	4.2
114.93409	0.4
115.03983	0.2
116.92859	5.6
117.01939	0.2
117.92879	0.2
118.30138	0.2
119.03494	2.4
119.08642	0.4
121.02956	0.3
123.00970	0.2
123.08171	0.3
124.01668	0.2
125.02441	3.6
125.06059	0.2
125.09695	1.1
126.90477	0.3
127.11288	1.1
131.03477	0.7
133.05092	0.2
134.89513	0.4
137.09717	2.1
141.01997	0.2
143.03517	1.6
149.04553	0.4
153.09178	0.2
155.10777	1.1
155.14413	0.3
157.05775	0.1
161.04549	1.6
163.11340	0.2
165.12863	0.7
167.10768	0.3
167.14404	0.4
169.12440	0.2
171.10265	22.1
172.10649	0.4
177.12827	0.6
179.05611	4.5
179.14389	0.2
180.05927	0.2
181.12332	0.5
183.13911	2.7
185.04613	0.2
185.11861	0.9
189.81329	0.2
193.12270	0.8
195.13870	0.4
197.11827	0.9
199.13383	0.4
201.11278	1.1
209.11815	1.2
211.13377	11.3
212.13751	0.4
219.05087	0.2
221.06673	2.0
221.11829	2.0
227.12759	0.3
229.14429	8.4
230.14694	0.3
235.08203	3.1
239.12865	1.4
245.06584	0.2
247.20625	0.5
251.16466	0.3
253.09279	0.6
257.14087	0.2
263.07745	0.4
273.18732	0.2
275.20099	0.2
277.21707	18.6
278.21985	1.1
281.08685	0.2
287.07709	1.4
289.18063	0.2
291.19638	4.4
291.22983	0.3
292.20129	0.2
293.21252	1.0
294.21463	0.3
295.22552	0.2
305.08847	1.7
307.19077	0.2
309.20685	12.4
310.21091	1.1
311.22159	0.3
323.09912	0.8
327.21738	100.0
328.22073	4.1
341.11087	0.3
351.21646	0.5
369.22781	0.4
379.12369	0.4
397.13480	23.9
398.13867	1.1
415.14560	15.0
416.14890	0.9
462.97974	0.2
509.27432	0.2
545.29907	0.4
571.26923	0.2
587.43256	2.6
675.35718	1.6
689.34143	0.3
707.34924	8.6
708.35413	0.7
725.23083	0.3
725.36005	6.4
726.36847	0.3
985.58221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.3
71.01380	3.3
71.51473	0.2
71.84460	0.1
72.99327	0.2
73.02946	0.7
75.00889	0.2
78.79235	0.1
79.95749	0.1
81.03460	0.3
83.01396	0.4
83.05016	0.4
85.02971	0.9
87.00894	0.8
87.01336	0.1
87.04516	0.2
89.02448	2.5
91.04014	0.1
93.03435	0.1
95.01386	0.2
96.96026	0.3
97.02937	0.6
97.06572	0.3
98.03717	0.1
99.00887	0.2
99.04568	0.2
99.92587	3.4
101.02447	2.2
102.19986	0.1
107.08714	0.2
109.06607	0.4
111.08157	1.4
113.02469	1.1
113.09669	0.1
114.93420	0.7
116.92863	22.7
117.01929	0.5
117.92854	0.9
119.03524	0.6
119.05040	0.2
121.06597	0.2
123.00936	0.1
123.08221	0.2
124.82462	0.1
125.02460	1.1
125.09737	0.7
126.90495	0.5
127.07616	0.2
127.11285	1.3
129.09175	0.3
131.03494	0.2
135.08144	0.2
137.06104	0.2
137.09731	0.4
139.07700	0.2
139.11287	0.1
140.08446	0.2
141.09148	0.1
143.03479	0.4
149.04498	0.1
149.05746	0.1
149.09740	0.4
151.11301	0.8
153.09225	0.4
153.12859	3.3
155.10765	1.1
161.04578	0.5
161.09723	0.3
163.07663	0.1
163.11238	0.3
165.12831	0.8
167.10768	1.5
168.11420	0.2
169.12337	0.7
171.10320	0.2
177.12877	0.2
179.05659	0.5
179.10794	0.5
179.14412	1.7
181.12343	3.3
193.15999	0.7
195.13748	0.1
197.11830	2.6
199.13409	0.9
203.14447	0.2
205.16145	0.1
207.13890	1.7
209.11893	0.2
213.14955	0.3
215.12907	0.7
217.15971	0.4
219.17558	0.2
221.06598	0.2
223.13501	0.2
226.12123	0.4
227.12871	1.0
228.13617	0.6
229.19563	0.2
231.17592	0.2
235.08232	1.5
237.22142	0.3
241.14256	0.2
245.06427	0.2
245.19138	0.4
247.20653	3.9
248.20959	0.3
253.09167	0.2
254.15279	0.2
263.20117	0.8
265.21808	0.6
273.18582	2.2
275.16559	0.3
277.09268	0.2
277.21716	7.4
278.22067	0.4
281.21152	1.3
287.07706	0.5
291.19659	24.8
292.20023	1.2
305.08762	0.5
307.19455	0.1
309.20697	100.0
310.21030	5.1
323.10022	0.2
397.13489	14.0
398.13855	0.5
415.14572	4.3
416.14957	0.2
628.87122	0.2
675.36469	0.7
692.34692	0.1
799.00476	0.1
949.44818	0.4
985.44159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	2.2
71.01381	15.8
71.05028	0.2
72.99310	1.3
72.99674	0.2
73.02940	2.4
73.70728	0.2
75.00835	0.5
78.91874	0.5
81.03432	0.8
83.01373	1.8
83.05006	0.7
85.02948	9.4
85.03469	0.5
85.71551	0.2
87.00881	3.4
89.02444	13.4
94.51798	0.2
95.01405	1.3
95.04993	0.4
96.95985	0.3
97.02954	3.8
97.06586	2.0
98.19830	0.3
99.00858	1.0
99.04535	0.3
99.92561	0.5
101.02441	11.9
109.02944	0.6
111.00895	0.4
111.04478	0.5
113.02447	6.4
115.04037	0.2
116.92861	3.2
117.92847	0.3
119.03497	4.3
119.08639	0.3
121.02962	0.4
123.08117	0.3
124.01643	0.3
125.02444	4.4
125.09741	1.0
126.90502	0.2
127.11301	1.2
131.03519	0.9
133.05051	0.3
134.89507	0.2
137.09697	1.9
139.03996	0.4
141.01955	0.2
143.03474	2.1
145.05002	0.3
149.04544	0.4
155.10756	0.6
155.14365	0.3
160.95076	0.2
161.04546	2.3
165.12805	0.6
167.14412	0.5
171.10260	21.9
172.10577	0.6
177.12817	0.6
179.05608	3.0
183.13869	2.4
185.04504	0.4
185.11804	0.6
187.61148	0.2
193.12286	0.8
195.13971	0.3
197.11829	0.5
199.13454	0.3
201.11331	1.4
203.05521	0.3
203.10789	0.4
209.11816	0.9
211.13379	10.0
212.13591	0.3
217.07086	0.5
221.06586	1.1
221.11812	1.7
227.12943	0.2
229.14436	7.7
229.40468	0.3
230.14734	0.3
233.22664	0.2
235.08199	4.5
239.12843	1.3
245.06718	0.3
247.20737	0.3
253.09216	0.9
263.07758	0.5
277.21707	31.7
278.22058	1.8
280.96188	0.2
287.07831	1.1
291.19672	3.4
291.22870	0.2
293.21091	0.2
305.08780	1.4
309.20676	8.0
310.21042	0.4
323.09705	1.0
327.21741	100.0
328.22076	5.8
351.21799	0.4
364.46890	0.2
369.22552	0.3
379.12564	0.9
397.13483	50.2
398.13831	2.3
415.14551	16.7
416.14975	0.6
423.89008	0.2
527.28363	0.2
545.29749	0.4
587.42865	2.0
588.45270	0.2
675.36053	4.5
676.36145	0.6
689.33917	0.2
707.34943	7.3
708.35437	0.8
725.35974	4.4
726.36127	0.3
985.57153	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.2
71.51756	0.1
73.02949	0.6
75.30370	0.1
77.17882	0.1
78.12369	0.1
78.95916	0.1
79.95728	0.1
80.96455	0.1
85.02985	0.1
87.00887	0.1
88.98782	0.1
96.96030	0.4
97.93156	0.1
99.00867	0.1
99.92584	14.7
100.92596	0.4
100.93204	0.1
101.02433	0.2
114.93428	0.9
116.92860	100.0
117.01938	1.0
117.92869	2.7
126.90496	0.2
129.02017	0.1
185.11905	0.1
195.13855	0.1
205.12317	0.1
209.11899	0.1
223.13348	0.4
235.08316	0.1
291.19644	0.2
309.20605	0.7
397.13562	0.3
406.55313	0.1
603.27045	0.1
621.27759	0.1
913.48828	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	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99536	2.1
69.03469	1.7
70.78424	0.7
70.78745	0.5
71.01381	33.0
71.05024	1.5
72.99315	2.6
73.02950	5.9
75.00871	0.9
80.02682	1.6
81.03465	3.1
83.01380	3.1
83.05029	6.4
83.05492	0.6
84.02169	1.3
85.02948	8.2
87.00872	6.1
87.04540	0.5
89.02445	27.9
93.03472	1.1
95.01409	2.3
95.05025	2.2
96.86205	0.4
96.95990	0.7
97.02953	6.0
97.06606	1.4
99.00936	2.1
99.04498	2.7
99.08163	1.1
99.92620	1.1
101.02447	22.8
106.04250	0.5
107.05074	0.6
108.02164	0.6
109.02975	1.0
109.06601	1.3
110.03731	0.7
111.00906	1.3
111.04534	1.1
111.08157	1.0
112.05306	1.5
112.98574	1.7
113.02450	12.6
114.93384	0.6
115.07636	2.5
116.92863	8.2
117.92864	0.5
117.98658	0.4
119.03506	6.8
121.02986	0.9
123.04517	0.9
123.08173	1.5
124.26675	0.4
125.02438	7.4
125.06098	0.7
125.09720	6.1
126.90508	3.8
127.07642	4.2
127.11315	1.0
127.21752	0.4
131.03514	1.5
135.04538	0.6
135.08162	4.7
137.02472	0.7
137.09740	0.8
138.06839	0.5
139.04021	1.4
139.07672	1.0
141.01981	1.3
141.09209	1.0
143.03497	3.5
147.49878	0.5
149.04559	1.0
151.11331	0.4
153.09218	20.3
154.09576	0.7
155.10786	2.2
161.04544	4.3
163.11299	5.1
165.09138	0.4
165.12814	3.6
167.03334	0.5
169.21461	0.5
171.10271	35.6
172.10606	0.8
178.09999	4.8
179.05602	11.9
179.10715	0.8
181.12352	1.4
183.13838	0.7
185.04504	0.5
185.11833	6.5
191.10835	2.3
191.14447	2.1
193.12422	0.5
197.11830	10.3
199.06033	0.4
207.10277	0.9
209.11824	80.4
210.12201	2.0
211.13379	1.1
219.13911	1.2
221.06689	5.0
227.12814	2.7
235.08235	5.6
235.20625	0.6
236.10545	1.8
237.11287	0.6
238.12073	2.9
239.16493	0.9
244.79808	0.5
245.06755	0.8
245.19057	3.5
251.16484	0.6
253.09004	0.6
256.13086	0.7
261.18524	0.6
263.07709	0.7
263.20184	1.7
265.17993	0.7
269.11017	0.4
271.17151	0.9
277.21716	72.7
278.22040	2.9
279.19720	1.7
281.21237	0.9
287.07727	1.8
289.18066	17.6
290.18457	0.8
291.19635	1.7
291.22787	0.5
293.21201	2.1
297.20746	4.2
305.05521	0.5
305.08655	2.2
307.19147	100.0
308.19421	4.6
309.20691	1.4
323.09970	2.2
325.20200	46.5
326.20523	2.1
327.21722	0.6
349.20285	0.8
379.12436	6.8
381.22864	0.7
397.13501	45.6
398.13843	1.6
415.14536	13.5
416.14673	0.7
551.23187	2.8
569.24017	2.0
607.26935	0.9
618.25214	1.0
636.25861	0.6
657.35016	1.1
675.35992	1.9
687.32367	15.3
688.32703	1.6
701.35150	0.5
705.33350	30.0
706.33820	2.5
723.34631	5.1
785.48529	0.7
829.45776	0.7
896.47864	5.6
965.54712	35.7
966.55054	4.7
983.55731	15.1
984.55933	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	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99840	0.6
69.03451	2.4
71.01380	42.0
71.05022	1.6
72.99312	4.0
73.02944	6.3
75.00868	0.9
80.02670	1.1
81.03447	2.5
83.01392	4.7
83.05016	5.5
84.02165	1.0
85.02946	11.2
86.00101	0.8
87.00876	8.7
88.98781	0.6
89.02444	33.2
91.04033	0.6
93.03475	0.8
95.01383	3.5
95.05029	2.4
97.02955	6.1
97.06586	1.4
98.19878	1.6
99.00874	2.9
99.04527	2.6
99.08113	1.2
99.92575	0.7
101.02440	30.5
107.05036	0.5
108.02176	1.0
109.02982	1.3
109.06577	0.8
111.00887	1.5
111.04507	1.4
112.05296	1.4
113.02446	16.4
115.04020	0.7
115.07651	1.8
116.92874	2.9
119.03506	8.4
121.02943	1.8
122.03799	0.7
123.00854	0.6
123.04584	0.8
123.08154	1.0
125.02447	11.5
125.06100	0.9
125.08881	0.8
125.09705	4.9
126.90485	1.5
127.07637	3.7
127.11272	1.0
131.03485	1.9
133.05058	0.6
135.04570	0.8
135.08165	3.7
137.02441	1.1
137.09692	1.1
137.24924	0.5
139.03998	1.5
139.07628	0.6
141.01926	2.2
141.09180	1.1
143.03502	5.0
145.05078	1.1
149.04590	1.0
151.11293	0.5
153.09212	21.0
155.10773	1.4
161.04549	7.2
163.11307	3.9
165.12839	2.6
167.10805	0.6
169.05069	0.7
171.10265	32.3
172.10620	0.8
178.09962	4.1
179.05585	8.3
181.12338	1.0
185.04520	1.2
185.11894	4.4
191.10783	2.5
191.14415	1.5
197.11823	7.9
199.06104	0.7
207.10272	0.7
209.11819	57.2
210.12123	1.6
211.13185	0.5
217.07199	1.2
219.10010	0.5
219.13771	1.0
221.06682	3.5
227.12892	1.7
229.77884	0.6
235.08218	9.1
235.20596	1.0
236.10510	1.2
237.11322	0.8
238.12057	2.3
245.06721	0.9
245.19109	3.6
253.09250	2.1
259.20612	1.0
263.07837	1.1
263.20084	0.9
271.17133	1.4
275.20074	0.7
277.21707	100.0
278.22021	4.1
279.19748	1.2
281.21393	0.8
287.07657	2.8
289.18079	15.6
291.19754	0.9
291.23257	0.8
293.21152	1.1
297.20724	3.8
305.08835	3.5
307.19144	93.4
308.19443	4.4
309.20605	0.7
323.09784	2.0
325.20184	50.4
326.20551	1.8
356.72690	0.6
364.40869	0.5
379.12473	7.0
397.13501	86.6
398.13742	4.2
415.14536	19.1
416.14999	1.5
551.23438	1.3
569.24835	1.7
657.34729	1.9
662.70642	0.5
675.36200	5.8
687.32330	11.5
688.32263	1.0
702.09192	0.5
705.33392	13.6
706.34015	1.6
723.34125	2.6
803.49115	0.6
829.46265	0.7
896.47748	6.2
914.48236	0.6
965.54694	43.2
966.55176	5.8
983.55841	17.8
984.55774	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	983.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.1
71.01380	13.5
71.05021	0.5
71.51477	0.6
71.94909	0.4
72.99316	1.3
73.02952	1.3
79.95755	0.5
80.02679	0.4
80.96510	0.7
81.03457	0.7
83.01391	0.9
83.05014	0.7
83.18439	0.4
85.02953	3.6
86.52412	0.4
87.00875	2.2
89.02442	9.8
89.02939	0.7
92.12218	0.4
95.01383	0.9
96.96022	1.8
97.02963	1.9
97.93124	1.2
99.92597	1.1
101.02444	8.7
111.04570	0.5
111.08189	0.7
113.02459	5.0
114.93407	4.9
116.92867	7.0
119.03493	2.8
123.08177	0.5
125.02448	3.6
125.09705	0.9
126.90536	1.8
134.89479	2.0
141.12740	0.5
143.03545	1.1
149.04597	0.6
161.04530	2.1
161.09737	0.5
163.11269	2.4
165.09196	0.5
165.12885	4.6
167.10812	0.5
177.12776	0.8
179.05624	4.1
179.14389	2.1
181.12292	1.5
181.21709	0.4
185.63788	0.4
193.15970	1.7
195.13899	6.6
197.11905	0.7
209.11790	1.2
211.13474	1.0
212.19774	0.5
221.06657	1.6
223.13377	5.5
225.14900	0.7
228.13618	0.5
235.08194	3.6
247.20712	5.8
253.09091	0.6
256.13199	1.0
269.40811	0.5
273.18579	2.0
275.20230	4.0
287.07764	1.1
291.19659	68.9
292.20007	3.0
293.21228	100.0
294.21524	4.3
305.08804	1.6
309.20706	96.7
310.21039	4.2
323.09909	1.2
326.99625	0.6
351.21744	0.7
379.12430	1.9
397.13504	30.4
398.13858	0.8
415.09042	0.9
415.14578	15.3
469.33377	1.1
479.16998	0.5
585.41534	1.1
613.66968	0.5
673.34460	1.2
689.33759	3.1
691.35638	1.8
707.35345	0.7
914.48053	0.6
979.92444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99563	6.0
69.03452	2.4
71.01382	30.4
71.51603	1.2
72.99309	2.3
73.02944	5.3
81.03461	4.2
83.01400	3.4
83.05033	8.9
85.02952	7.5
86.48770	1.1
87.00877	4.6
89.02440	22.5
95.01377	2.1
95.05029	1.6
97.02958	4.5
97.06572	2.5
98.14004	1.2
99.00920	1.8
99.92600	2.5
101.02440	18.5
109.06590	4.0
112.98562	5.7
113.02442	10.0
113.06112	1.4
116.92861	9.0
117.92870	1.3
119.03501	6.4
121.02958	2.8
123.08128	2.0
125.02446	12.6
125.06071	2.5
125.09712	8.0
126.90504	18.8
135.08163	7.0
143.03531	2.7
148.54504	1.2
153.09250	11.1
154.62233	1.2
161.04562	4.7
163.11295	8.7
165.12860	4.5
176.08383	2.7
178.10033	3.0
179.05632	10.4
181.12268	1.3
185.11844	3.5
187.09752	1.3
191.10786	4.4
197.11807	19.9
207.10233	7.7
209.11818	100.0
210.12131	4.0
217.12323	2.1
221.06622	4.0
225.11284	4.6
235.08150	3.5
235.52037	1.5
236.10538	3.2
243.17584	2.8
261.18643	5.8
269.15610	2.5
272.95123	1.3
277.18512	2.6
277.21704	53.9
278.22058	3.5
279.19641	3.0
287.16547	12.7
291.19550	7.9
293.65015	1.1
295.19315	1.2
305.17572	74.4
306.17905	3.2
309.20862	6.4
323.09866	1.7
323.18588	19.9
324.18857	1.1
366.74896	1.3
368.28940	1.5
379.12332	4.1
397.13507	35.8
415.14447	8.0
429.81284	1.3
526.25861	1.5
675.35980	2.3
685.30597	15.6
703.31781	30.3
704.32080	2.7
721.32330	3.7
783.45184	1.4
883.47174	7.0
955.08966	1.4
963.53192	76.2
964.53436	12.3
981.54230	17.1
982.54376	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	981.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99570	11.6
69.03447	2.0
71.01378	34.0
72.99292	1.8
73.02945	3.6
81.03450	4.2
83.01370	4.5
83.05029	4.9
85.02959	8.1
87.00872	6.0
89.02440	31.1
94.32187	1.6
95.01417	2.6
96.95992	6.8
97.02953	5.6
99.00871	3.4
99.92590	3.1
101.02443	27.8
111.00909	1.9
112.98530	9.5
113.02455	15.6
116.92863	10.7
117.92824	1.5
119.03495	10.5
123.04493	1.8
125.02435	13.3
125.06080	2.6
125.09715	7.0
126.90506	69.6
131.41164	1.9
133.05057	1.7
135.08211	3.6
143.03505	6.8
144.38170	1.5
146.09839	2.5
153.09215	10.0
161.04541	5.2
163.11331	8.6
165.12862	2.1
176.08421	3.7
178.09998	2.1
179.05632	10.6
181.12303	2.1
185.11751	3.3
191.10759	3.0
192.87790	1.5
197.11848	16.8
207.10255	5.5
209.11813	71.3
210.12292	2.0
217.12195	1.9
221.06668	2.9
225.11362	1.9
235.08221	7.5
236.10483	2.9
243.17412	2.7
261.18600	5.1
277.18536	3.0
277.21713	90.3
278.22131	4.9
287.07654	2.4
287.16571	15.7
293.21268	1.7
305.17569	88.7
306.17984	2.8
323.09720	2.8
323.18631	23.5
379.12384	6.3
397.13522	73.6
415.14542	15.1
525.70154	1.8
548.54694	1.8
662.91449	2.0
675.35797	3.9
685.30896	12.4
703.31805	14.2
883.47205	4.8
963.53229	100.0
964.53687	14.7
981.54138	23.4
982.54999	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	975.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57338	1.0
71.01381	0.4
74.51894	0.2
75.00883	0.2
87.00849	0.3
88.00397	0.9
88.98803	100.0
89.02436	0.4
89.99140	0.6
93.95765	0.2
96.96017	0.4
99.92554	0.5
100.92574	0.2
103.00392	0.3
113.02450	0.2
116.92861	4.5
117.92869	1.1
118.92648	0.6
125.06062	0.3
126.90491	0.4
169.08691	0.4
171.10281	0.7
187.06128	0.2
192.92607	0.2
197.11897	0.2
201.11382	0.3
209.11821	1.0
210.12144	0.2
211.13321	0.3
218.01654	0.2
225.11218	0.2
241.14404	0.3
253.09317	0.4
289.18045	0.3
291.19604	0.3
305.17612	0.5
307.19168	0.8
309.20560	0.5
325.20035	0.3
341.23590	0.3
705.34894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76762	1.4
69.77172	2.4
71.01380	2.5
75.00871	72.4
77.09756	0.6
78.95904	1.1
80.02666	0.5
83.01403	0.6
83.05021	0.9
85.02971	1.0
87.00880	0.9
88.98785	1.7
95.05032	0.7
96.96030	0.7
97.06606	0.9
98.20584	0.9
99.00919	0.7
99.04497	0.9
101.02445	2.4
103.00371	100.0
104.00722	1.1
113.02453	0.9
116.92858	7.2
123.08138	0.9
123.71173	0.6
125.06095	1.4
125.09703	2.0
126.90468	0.9
134.89452	0.8
139.07712	0.7
153.09241	3.1
161.04576	0.9
163.11301	1.4
165.12755	0.7
169.08691	1.8
171.10281	6.8
178.10001	0.7
185.11809	2.5
193.12512	0.6
197.11836	2.0
201.11354	2.6
207.10403	0.9
209.11818	15.8
211.13420	1.4
225.14990	0.8
227.12923	0.8
235.08224	1.8
241.14464	2.1
245.19199	1.0
253.09219	4.3
289.18069	3.8
291.19531	0.8
305.17642	2.6
307.19119	21.5
308.19418	1.6
309.20691	1.9
325.20181	9.5
341.23322	7.9
382.95132	0.7
397.13364	0.7
525.27075	1.8
543.28204	7.1
561.28925	1.5
640.33246	0.7
697.38312	1.5
764.39301	1.1
782.41565	1.5
833.46802	4.6
851.48077	4.8
869.49078	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	973.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.2
73.02941	0.8
75.00874	0.6
79.95738	0.1
85.50220	0.1
87.00874	0.1
88.98804	0.3
89.02466	0.2
96.95991	0.2
99.00900	0.2
99.92583	14.2
100.92609	0.4
100.93324	0.1
101.02489	0.1
103.00372	0.5
113.02428	0.1
114.93410	1.0
116.92860	100.0
117.01936	1.4
117.92867	3.0
126.90542	0.1
131.91537	0.1
151.07582	0.1
171.08810	0.1
171.10257	0.2
183.10277	0.1
209.11891	0.1
211.13461	0.2
223.13354	0.6
249.78813	0.1
253.09033	0.1
289.18314	0.1
291.19711	0.5
307.19186	0.2
309.20773	0.2
312.82666	0.1
325.20221	0.1
327.21774	0.2
341.23419	0.1
347.94073	0.1
355.24902	0.3
397.13589	0.4
485.50217	0.1
502.56082	0.1
621.27808	0.1
895.48114	0.1
973.45068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	0.1
71.35665	0.1
71.36029	0.1
73.02944	1.4
75.00867	0.1
79.95716	0.1
80.96519	0.1
81.29651	0.1
96.96014	0.3
97.93143	0.1
99.00871	0.2
99.92585	14.4
100.92601	0.5
100.93252	0.1
103.00379	0.1
114.93427	1.1
114.94235	0.1
116.92862	100.0
117.01933	2.3
117.92869	3.1
131.91574	0.1
134.89487	0.1
209.11864	0.1
295.13742	0.1
305.17615	0.1
307.19199	0.1
309.20917	0.1
457.14868	0.1
894.93799	0.1
935.47614	0.1
971.45105	0.2
995.32086	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	973.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	10.8
71.52059	0.6
72.02454	0.4
72.99294	0.7
73.02938	5.6
77.76419	0.3
81.03461	1.7
83.01390	4.8
85.02950	8.1
87.00869	0.7
89.02437	0.7
95.01388	0.7
99.00890	3.0
99.04518	85.2
100.04874	1.2
101.02441	36.8
102.02733	0.4
107.01393	1.5
113.02455	6.7
117.38478	0.4
119.05036	2.3
121.02924	0.4
121.91209	0.5
125.02444	33.3
126.02777	0.6
129.01909	1.2
143.03488	5.0
145.03003	0.4
151.00368	5.8
159.02969	1.6
161.04556	7.0
165.01772	0.4
191.01974	0.6
249.13405	31.6
250.13756	0.8
252.57014	0.4
265.18539	0.5
271.06143	3.9
291.14505	17.3
292.14655	0.7
293.12527	0.5
331.13644	0.4
331.17603	7.4
332.17844	0.5
335.13367	0.6
349.18677	1.9
393.17645	100.0
394.17990	5.2
459.11429	0.8
482.00369	0.4
500.55759	0.4
579.17151	11.0
580.17651	1.3
799.65863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06597	0.2
73.02942	0.9
75.00877	0.1
80.96526	0.3
88.98798	0.4
96.96014	0.2
97.93133	0.3
98.20381	0.1
99.92583	13.2
100.92583	0.4
103.00397	0.2
114.93432	1.3
116.92860	100.0
117.01924	1.2
117.92867	3.1
126.90501	0.1
134.89511	0.5
209.11893	0.1
223.13492	0.2
270.31281	0.1
289.18118	0.1
291.19849	0.2
307.19217	0.3
309.20856	0.2
345.24884	0.1
371.24551	0.2
397.13431	0.1
421.48813	0.1
585.66077	0.1
613.26868	0.1
680.57574	0.1
813.23541	0.1
971.47607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.1
71.51382	0.1
73.02950	0.7
78.91904	0.3
79.95724	0.2
80.91682	0.4
80.96514	0.3
96.96021	0.4
97.93147	0.3
99.00881	0.1
99.92588	13.2
100.92620	0.4
112.98595	0.1
114.93430	1.2
115.92115	0.1
116.92864	100.0
117.01942	1.0
117.92876	2.7
126.90549	0.2
131.91588	0.1
134.88560	0.1
134.89499	0.3
165.11366	0.1
209.11928	0.1
305.18015	0.1
337.48633	0.1
359.65396	0.1
558.26636	0.1
628.14026	0.1
868.44110	0.1
969.45361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99544	0.2
69.03452	0.6
70.92151	0.2
70.92500	0.1
71.01380	7.3
71.05046	0.1
72.99310	0.8
73.02941	1.2
73.17284	0.1
75.00872	0.1
79.95695	0.1
81.03427	0.2
83.01389	0.7
85.02943	1.8
87.00872	1.8
89.02444	6.3
95.01380	0.5
95.05026	0.3
96.96018	1.0
97.02939	1.0
97.06588	0.1
97.93157	0.1
99.00867	0.5
99.04510	0.1
99.92575	0.2
101.02441	5.4
109.02964	0.1
111.00883	0.3
111.04509	0.2
111.08147	0.3
112.98543	0.2
113.02451	3.2
113.09724	0.2
114.93412	0.4
115.03996	0.1
116.92863	1.4
119.03496	1.8
119.25105	0.1
121.02977	0.2
125.02439	2.0
126.90491	0.3
131.03503	0.4
133.04999	0.2
133.67618	0.1
139.04059	0.1
141.01909	0.2
143.03502	1.1
149.04498	0.1
149.09700	0.2
161.04535	1.4
167.10716	0.3
171.10228	0.3
174.18042	0.1
177.12762	0.3
179.05624	1.7
179.10684	0.1
179.14423	0.9
181.12260	0.2
185.04547	0.2
195.13895	8.7
196.14655	0.6
197.15453	0.1
205.12321	0.8
205.15974	0.3
211.13481	0.6
217.07144	0.2
221.06662	0.8
223.13373	6.1
224.13809	0.4
225.14926	0.4
228.13608	0.8
231.21159	0.4
235.08232	1.8
235.73520	0.1
239.12938	0.2
245.06662	0.1
249.22258	0.2
253.09325	0.4
256.13147	1.4
263.07645	0.2
265.21713	0.4
275.20139	5.5
276.20444	0.3
287.07721	0.5
293.21213	100.0
294.21552	5.1
305.08734	0.9
311.16687	0.2
317.21262	0.3
323.09756	0.5
335.22177	0.1
379.12399	1.1
397.13489	16.0
398.13733	0.6
415.14551	9.9
416.14758	0.5
438.58429	0.1
569.42035	1.7
570.42310	0.1
631.34857	0.1
636.26453	0.1
654.27441	0.2
673.34528	0.9
674.34631	0.2
691.35437	3.2
692.35883	0.2
967.56580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99560	8.0
71.01411	6.0
78.91900	13.5
79.95738	17.0
80.96514	9.9
90.91122	5.3
93.09351	5.6
96.96011	30.9
97.93145	13.7
98.19771	11.8
99.92620	5.7
101.02469	5.0
105.20777	4.4
112.98573	10.0
114.93413	100.0
116.92861	45.4
126.90518	13.7
230.33054	5.2
237.73029	6.6
304.80127	4.8
389.63898	5.6
494.53705	5.3
515.76263	5.4
576.01422	5.6
967.42352	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	966.6604
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52074	1.2
81.03435	0.9
83.05022	2.2
85.02941	2.2
96.95992	2.4
113.02366	0.7
129.01961	1.3
143.45834	0.8
151.03914	0.8
155.50117	0.6
156.60817	0.7
191.01938	1.5
209.03018	0.7
212.05827	0.8
225.16142	1.1
284.32376	0.8
397.53284	0.7
624.10089	0.8
904.66071	1.1
905.67212	3.1
906.67511	15.2
966.66052	100.0
967.66302	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22341	6.0
70.22692	4.6
71.01369	11.4
74.17867	2.6
78.95909	7.8
79.95747	6.1
80.96497	2.8
85.02937	6.2
87.00880	2.9
88.98820	5.3
89.02434	10.0
96.96011	24.3
97.06580	3.1
99.92570	9.6
101.02438	8.5
113.02437	4.0
116.92091	4.6
116.92859	52.8
125.02489	2.9
126.90536	3.6
163.88171	2.6
171.10242	16.4
179.05577	4.4
183.38013	2.5
209.11824	4.0
211.13361	9.0
223.13454	17.2
229.14432	4.9
232.04785	2.5
235.08063	2.8
291.19733	7.9
309.20706	11.4
321.55243	2.7
327.21756	100.0
328.22134	4.0
340.54483	2.8
397.13541	30.3
415.14212	15.5
494.20251	2.6
515.24860	3.1
533.34967	3.6
621.27271	20.4
707.34692	23.5
717.96466	2.6
725.35980	22.0
797.90326	3.0
931.48877	54.6
932.49371	7.0
967.46967	62.1
968.46942	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	964.475
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81533	52.8
71.01388	24.3
79.95731	65.9
80.96499	30.1
85.02945	22.6
96.96008	73.0
99.00881	22.4
101.02421	27.0
116.92881	97.5
116.93622	20.3
125.06065	59.5
126.90514	32.4
150.83545	21.1
169.08708	81.5
197.11617	25.9
201.11333	21.6
207.64406	18.2
209.10121	22.4
209.11836	100.0
253.09009	20.7
273.17218	24.0
305.17676	61.0
307.19168	31.5
309.20767	19.4
310.21143	25.7
369.50665	20.8
397.13712	42.1
431.58624	23.6
535.16937	23.8
680.36438	21.4
774.11261	24.3
878.50226	20.2
892.47852	43.6
893.49512	26.1
910.44360	26.8
964.47339	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	963.6861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01357	0.2
71.01367	0.3
71.07185	0.5
72.55251	0.2
78.20432	0.2
81.03009	0.4
81.03459	5.6
83.05025	13.1
85.02934	0.6
96.95995	0.8
100.07675	0.4
107.06146	0.2
107.74170	0.2
108.04554	0.5
116.92871	0.2
125.07193	0.9
126.05630	0.2
126.90488	0.4
135.04533	0.2
143.08237	0.2
143.18779	0.2
157.13521	0.2
185.27592	0.2
195.44160	0.2
197.44014	0.2
207.15070	1.0
209.02977	0.3
224.17674	1.9
225.16077	8.8
233.68137	0.2
242.18732	0.6
248.20380	0.2
266.07666	0.2
268.79755	0.2
290.22467	0.2
309.21866	0.8
324.26566	0.3
333.22986	0.4
341.29138	0.8
367.27069	1.1
386.30582	0.2
433.31894	0.9
433.96753	0.2
450.34485	0.8
451.32855	7.9
452.33157	0.5
493.17456	0.2
550.43176	0.6
567.45850	0.5
593.44214	0.3
659.47913	0.3
677.49622	1.4
678.49554	0.2
776.60260	0.8
885.65430	0.4
903.66473	100.0
904.66809	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	963.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70460	0.3
70.66225	1.0
71.01353	0.3
76.67053	0.3
83.01387	0.6
85.02971	1.8
89.40908	0.3
92.09994	0.4
107.01387	1.0
108.02175	0.6
109.02938	0.6
111.81509	0.4
121.02946	0.9
121.39641	0.4
121.40473	0.4
129.01970	0.4
134.82484	0.3
145.02899	0.4
148.64946	0.3
151.00375	5.7
153.01897	0.3
163.00348	0.9
178.99883	3.3
191.01976	0.5
211.04048	0.7
213.02086	0.3
227.03462	1.2
243.02946	3.8
245.04538	0.5
254.02251	1.1
255.02995	11.4
256.03259	0.5
271.02460	24.9
272.02881	1.4
273.03976	0.6
283.02603	0.6
299.01889	0.5
300.02734	62.5
301.03485	27.1
302.03900	1.6
316.02109	0.8
337.05737	0.4
381.87393	0.4
463.08817	100.0
464.09137	7.1
675.69098	0.4
775.62665	0.4
820.27966	0.4
913.53778	0.4
953.70538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	15.3
72.18489	9.9
75.00858	52.2
87.00925	11.7
87.97862	9.2
88.98811	100.0
89.02467	23.3
99.92590	12.3
103.00378	47.8
105.01939	24.4
116.92860	86.8
117.92853	19.8
179.05647	8.8
209.11696	12.9
221.01740	11.0
223.13382	33.2
224.13692	25.5
253.09338	14.3
289.18112	14.7
291.32666	10.1
293.21280	46.7
294.21515	39.4
295.21689	15.3
306.75815	10.2
309.20688	16.5
310.20825	11.7
397.13531	18.1
398.13571	14.7
757.52948	10.7
900.49365	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	957.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.2
73.02940	0.5
75.00873	72.1
80.96533	1.1
84.02187	0.4
87.00928	0.4
88.98803	6.0
89.02458	0.7
97.02956	0.4
98.19897	1.2
99.92590	0.7
101.02427	0.8
103.00372	100.0
104.00697	1.2
113.02465	0.7
116.92852	4.2
117.92848	0.4
123.08146	0.3
125.09686	0.4
126.90550	0.7
127.07628	0.4
153.09177	1.1
163.11227	0.5
165.12798	0.7
171.10268	2.3
178.36363	0.3
185.11768	1.0
197.11737	1.6
209.11810	4.9
229.46895	0.4
235.08221	1.1
239.12737	0.4
241.14432	0.6
245.19122	0.5
247.20653	0.9
253.09262	2.1
273.18573	0.4
289.18112	2.0
291.19681	8.8
292.20026	0.6
307.19110	9.3
308.19623	0.5
309.20694	12.8
310.21021	0.4
325.20203	4.0
326.20459	0.4
341.23425	0.4
525.27008	0.8
527.28589	0.5
543.28137	3.6
700.62250	0.4
766.41577	1.0
835.48553	4.2
836.48187	0.8
853.49878	1.5
957.46002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	9.0
72.99300	4.9
73.02943	1.5
75.00871	24.6
81.03418	1.4
83.01380	1.4
83.05033	1.9
85.02947	3.1
87.00861	3.3
88.98801	14.8
89.02427	4.4
95.05048	2.0
97.02947	3.2
97.06584	2.3
101.02458	8.5
103.00376	30.2
104.00691	2.1
105.01936	64.0
107.05023	1.4
108.68073	1.0
109.06578	2.9
113.02454	3.3
116.92856	7.4
117.92844	1.3
123.04501	2.1
123.08166	1.7
125.06102	1.3
125.09749	7.1
127.07650	3.3
134.89474	1.1
135.08145	2.3
137.09705	1.3
153.09201	12.2
161.04541	3.5
161.09694	1.7
163.11278	6.5
165.12831	3.1
171.10277	20.4
181.12213	1.7
185.11833	10.7
191.10802	1.2
191.14409	9.9
197.11830	8.1
207.10205	2.2
209.11823	34.0
210.12140	2.4
211.13396	1.3
222.77473	1.2
223.13336	3.2
225.11317	3.3
227.12868	2.9
235.08240	6.2
237.11414	1.8
245.19038	12.5
246.19240	1.4
253.09302	16.0
256.13303	1.4
263.20346	1.2
271.17041	2.6
279.19794	1.9
289.18097	61.9
290.18457	3.4
291.19742	11.0
292.20016	1.6
303.96814	1.2
305.17505	8.7
307.19144	100.0
308.19421	6.0
309.20712	14.4
309.75266	1.4
310.20929	2.4
325.20175	24.0
341.23358	1.6
355.24890	4.3
361.23892	2.1
397.13531	1.2
525.26843	5.9
541.26276	3.4
543.20544	1.9
543.28088	21.1
561.28906	2.5
705.37891	1.4
707.36639	2.3
723.38922	2.2
746.39233	1.9
753.40704	1.4
764.39655	8.6
782.41351	1.8
815.45850	11.5
816.46954	2.1
833.46912	32.0
834.46948	4.3
851.47998	10.3
852.48767	2.7
887.45972	8.3
959.45496	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	959.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.1
71.01386	0.4
83.01402	0.1
84.01196	0.1
84.02151	0.2
85.02953	0.5
87.00880	0.5
88.00409	1.0
88.98808	100.0
89.02437	2.0
89.99136	0.7
97.02911	0.1
97.06586	0.2
101.02437	0.3
103.00367	0.1
110.58810	0.1
113.02425	0.2
113.09556	0.1
114.94558	0.1
116.92862	0.4
125.06078	0.3
127.11258	0.1
134.89465	0.3
163.11241	0.2
169.08646	0.4
171.10298	1.1
181.12321	0.1
185.11903	0.3
186.70012	0.1
197.11841	0.7
201.11340	0.4
209.11810	1.1
211.13461	0.3
229.14438	0.2
235.08182	0.4
253.09236	0.8
286.38226	0.2
289.18094	0.3
291.19620	1.1
296.89444	0.1
305.17709	0.2
307.19162	1.1
308.19479	0.2
309.20731	2.0
321.53766	0.1
325.20062	0.3
327.21732	1.8
341.23373	0.7
343.25021	0.1
397.13391	0.1
466.08328	0.1
543.28314	0.4
545.30109	0.2
851.48273	0.2
852.46814	0.2
896.51050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78474	0.0
71.01354	0.2
71.50529	0.1
71.50889	0.1
73.02943	1.2
75.00854	0.1
78.95905	0.1
79.95731	0.1
80.96494	0.2
88.98825	0.1
89.02416	0.1
97.93130	0.1
99.00856	0.2
99.92582	13.4
100.92583	0.3
101.02464	0.1
103.00357	0.2
111.08101	0.1
114.93413	0.9
115.00346	0.1
116.92859	100.0
117.01932	1.7
117.92867	3.1
118.41069	0.1
126.90533	0.1
131.91565	0.1
145.87994	0.1
146.94525	0.1
173.21675	0.1
223.13431	0.2
279.23322	0.4
280.23672	0.2
291.19699	0.4
309.20776	0.3
355.24936	0.1
358.65759	0.1
360.26950	0.1
397.13687	0.1
476.27927	0.2
477.28299	0.2
478.28577	0.1
532.59393	0.1
628.30267	0.1
730.77722	0.1
955.44104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	0.4
71.51768	0.4
80.96507	0.7
85.02934	0.3
87.00883	0.5
88.00405	0.9
88.98805	100.0
89.02438	1.0
89.99136	0.7
101.02479	0.4
103.00383	0.4
111.38847	0.2
116.92867	2.4
125.06117	0.3
125.09763	0.2
126.90548	0.3
134.89459	0.3
148.44827	0.2
153.09189	0.3
167.57726	0.2
171.10271	0.5
178.76443	0.2
201.11232	0.3
209.11858	0.9
210.12276	0.2
230.01250	0.2
235.08476	0.2
241.14381	0.2
253.09415	0.5
275.68350	0.2
289.18097	0.3
291.19736	0.8
305.17551	0.8
307.19241	0.9
309.20828	1.1
325.20209	0.4
520.52399	0.3
543.28058	0.3
621.74048	0.3
751.39868	0.3
831.45587	0.3
835.47314	0.3
957.46045	0.8
976.19208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15582	0.7
69.03401	3.0
70.36480	1.2
71.01384	15.0
72.99292	2.1
73.02934	1.7
75.00868	3.5
80.96539	0.8
81.03440	0.9
81.92455	0.6
83.01387	2.0
85.02966	3.3
87.00874	4.4
88.98810	5.6
89.01931	1.1
89.02446	12.1
91.04049	0.7
95.01355	1.0
95.05036	0.6
97.02946	2.4
99.00884	0.7
99.92598	1.9
101.02448	10.7
103.00376	4.4
105.01920	4.5
113.02458	6.2
116.92863	18.3
117.92884	3.3
118.92693	1.9
119.03493	3.4
125.02441	3.5
125.09701	0.7
126.90510	0.6
134.89465	0.9
139.04056	0.8
143.03470	1.5
149.04636	0.7
161.04558	2.6
162.15855	0.8
167.10768	1.9
171.10219	0.9
171.41185	0.7
177.12914	0.9
179.05618	3.6
179.10796	0.8
179.14432	2.8
195.13896	15.3
197.11810	1.2
205.12343	7.2
209.11835	1.7
211.13347	0.9
221.06648	1.8
223.13390	64.3
224.14014	1.4
228.13641	1.1
235.08221	4.0
253.09326	1.1
256.13132	1.4
265.21750	0.8
275.20184	5.4
287.07843	1.2
289.17938	0.7
293.21225	100.0
294.21597	5.4
305.08917	0.9
305.17798	0.7
307.19220	0.8
309.20709	1.3
323.09888	1.0
346.17599	0.6
379.12354	3.4
397.13489	36.4
398.13940	1.7
415.14584	15.0
416.15079	0.8
497.70520	0.7
499.34033	1.1
603.26520	7.0
621.27557	16.7
636.26227	0.9
673.34106	3.7
691.35162	4.7
821.40936	0.8
831.44281	0.8
897.48743	9.5
957.45215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61585	0.2
68.99818	0.7
71.01381	2.4
71.51192	0.5
72.79218	0.3
72.99282	0.5
73.02925	0.4
75.00874	0.4
77.15324	0.3
83.01389	4.8
84.02145	1.4
85.02949	100.0
86.03284	1.4
87.00851	0.9
89.00337	0.8
91.01881	0.5
99.00859	0.3
101.02442	0.8
102.83675	0.2
103.00359	0.5
106.00600	1.3
111.00883	11.6
115.00401	0.4
121.02953	19.7
122.03245	0.3
123.00880	3.1
125.02459	0.4
127.00345	1.0
129.01941	63.6
130.02261	0.9
135.04500	0.4
136.98845	0.7
137.02460	0.3
137.99611	0.3
138.03217	2.2
139.00381	2.4
139.03992	0.8
145.01433	0.5
147.02985	7.3
153.05571	12.6
154.05908	0.4
154.99823	0.6
166.99855	1.7
173.00906	19.8
174.01317	0.4
179.03516	0.5
181.01514	0.4
182.02199	5.0
191.01970	8.5
191.03658	0.6
196.03761	0.8
197.04539	40.4
198.04904	1.1
209.02957	1.7
211.06139	0.6
219.06604	0.4
222.05376	1.5
223.04521	2.4
237.07654	1.4
239.05630	0.4
265.07162	8.8
309.06143	1.7
327.07190	16.3
328.07446	0.5
353.05157	2.0
371.06158	28.1
372.06427	1.6
385.07520	0.7
389.07233	11.1
390.07486	0.6
463.66748	0.3
569.11438	14.1
570.11676	1.2
671.05115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95913	18.6
79.95757	29.7
80.96517	55.3
94.98107	16.2
96.96009	88.3
99.92638	9.8
109.62457	8.9
114.93408	9.9
116.92856	100.0
148.99168	8.0
164.98662	10.0
167.67744	8.7
207.45581	9.2
225.00735	13.4
227.01352	7.8
229.03522	9.7
307.18936	12.0
319.60098	9.5
819.36444	9.2
952.42773	32.4
953.42603	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	955.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.7
71.01372	2.7
71.51323	0.7
75.00873	0.7
81.62748	0.5
83.01396	4.5
83.31537	0.4
84.02155	1.4
85.02948	100.0
86.03291	1.0
87.00861	0.9
89.00316	1.3
89.43474	0.4
89.74307	0.5
101.02453	0.6
101.10082	0.5
106.00613	0.9
111.00887	11.4
121.02954	20.1
122.03294	0.5
123.00859	2.5
127.00345	0.7
127.49332	0.5
129.01941	56.3
130.02327	1.0
133.72340	0.5
138.03220	2.6
139.00348	2.7
139.04002	1.9
147.02995	9.1
153.05571	13.3
166.99855	1.4
172.99457	1.1
173.00905	19.1
181.01494	0.5
182.02203	5.7
191.01982	10.3
196.03693	0.9
197.04543	37.9
198.04866	1.0
209.03024	5.8
211.06064	0.9
219.06483	0.6
222.05263	1.2
223.04607	1.7
237.07724	1.4
265.07126	7.5
309.06250	1.7
327.07227	16.5
328.07617	1.4
353.05215	1.2
355.40848	0.5
371.06177	26.2
372.06592	1.6
385.07935	1.2
389.07205	13.0
470.62909	0.5
496.07422	0.5
520.55066	0.5
569.11444	14.1
570.11572	1.1
645.39868	0.6
925.27240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.453
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81217	17.8
71.01391	12.9
74.31767	7.8
75.00842	7.7
77.55322	9.8
79.95732	25.1
80.96516	27.0
96.96024	72.4
97.23324	9.9
99.92612	13.5
114.93417	14.7
116.92847	100.0
117.92833	8.5
124.68304	8.3
126.90525	12.9
150.06038	8.0
197.11717	10.2
209.11993	9.0
219.15303	8.2
336.69287	9.1
442.87958	11.1
950.44537	14.5
951.40997	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	950.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99544	24.0
71.43355	17.9
71.51868	16.4
71.52303	18.5
75.00880	21.5
78.91882	30.3
78.95885	48.9
79.49181	15.4
80.96505	32.7
96.96035	24.4
103.09550	16.7
112.98586	23.3
114.93397	67.7
116.92856	100.0
120.23771	18.0
128.03474	21.7
146.96973	17.6
196.03717	29.6
246.97688	21.3
255.23288	87.8
256.23550	82.1
257.23828	28.2
417.42169	21.3
452.27750	40.6
453.28104	67.2
454.28226	52.0
638.58191	20.4
950.49457	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18488	12.8
69.18905	4.4
71.01411	4.9
78.95918	4.0
79.20248	1.9
79.95734	79.0
80.96520	12.5
81.95303	2.0
84.62595	1.7
85.02966	4.3
89.02473	2.1
96.78619	1.6
96.96010	100.0
97.85179	1.7
97.93130	1.9
109.96942	1.8
116.92856	32.6
117.92867	2.8
126.90546	2.5
171.10289	4.4
171.67310	1.9
174.61125	1.7
197.87141	2.0
208.49487	1.7
209.11827	3.7
253.09175	3.4
290.15146	1.7
305.17410	2.4
307.19214	2.5
309.20816	2.5
327.21826	3.5
331.98785	1.7
345.94531	1.6
950.45074	63.3
951.46094	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	950.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01360	6.2
70.07057	25.2
71.01372	17.3
78.95905	15.1
78.98602	8.2
79.95730	38.4
80.91684	7.0
80.96510	100.0
81.03452	6.0
88.13393	6.2
89.02427	6.9
94.98072	21.0
96.96005	37.5
98.20393	16.8
101.02440	9.4
116.92835	25.4
126.90498	22.4
152.98564	6.9
164.98581	13.7
171.10182	10.0
172.52757	5.8
209.11908	10.1
215.56432	7.4
217.14421	14.7
217.49123	6.7
225.00768	34.2
246.42940	6.6
289.17966	8.5
293.21262	33.0
305.55219	6.4
307.18933	11.8
351.13156	6.5
397.13538	11.6
605.10132	6.2
607.05463	8.1
834.47351	8.0
950.47577	12.6
951.41974	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	1.6
69.89234	3.0
71.01382	11.1
71.05010	3.2
72.99285	1.1
73.02910	1.7
76.24126	0.7
77.58629	0.7
83.01394	0.9
83.05045	1.0
85.02949	5.6
87.00872	1.8
89.02436	8.8
93.52900	0.7
95.05021	1.4
96.95975	2.2
97.02953	5.3
97.03477	0.9
97.06570	3.4
98.20637	1.2
99.00879	16.7
99.92546	0.8
101.02439	5.8
102.31850	0.7
109.06565	1.8
113.02450	3.9
116.92832	2.8
119.03458	1.4
123.08159	2.1
125.02440	1.8
125.08940	0.9
125.09735	8.5
126.90478	0.9
127.07681	1.4
135.08139	1.2
136.05226	0.7
142.02701	1.1
143.03487	0.9
153.09190	1.5
161.09769	0.8
163.11302	10.3
171.10233	5.7
179.05588	1.0
179.10764	1.4
181.12337	13.9
185.11830	2.9
197.11838	7.3
199.13420	9.4
205.44362	0.8
207.08377	1.5
207.10252	25.7
209.11807	13.6
210.12210	1.0
221.06705	2.1
225.11317	34.9
226.11661	1.7
235.08154	1.2
243.12361	19.1
253.08975	0.8
287.11475	0.8
289.18054	2.8
307.19180	6.4
309.20697	2.3
325.20038	1.3
327.22046	1.2
386.88312	0.8
397.13470	1.8
415.14465	1.3
424.15213	0.8
623.24377	0.9
641.26379	2.4
654.59351	0.8
931.45673	9.9
932.45844	1.1
949.46454	100.0
950.46716	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	948.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91452	9.8
71.01375	18.1
72.99313	10.2
79.95716	16.7
80.96512	9.4
85.02956	11.0
86.25453	7.7
88.98818	9.3
96.96010	43.1
99.92542	11.3
101.02412	9.0
116.92863	100.0
117.92850	36.4
118.92672	26.7
119.94645	8.6
121.60555	7.7
126.90504	15.7
132.03853	9.0
134.89458	9.7
169.08653	20.2
171.10236	14.4
171.36690	7.9
185.11893	7.4
201.11273	16.1
209.11790	23.7
211.13429	7.9
225.11368	9.5
230.80843	8.4
289.31827	8.3
305.17621	28.0
307.19043	27.7
319.08975	8.8
325.20206	9.4
327.21335	8.9
341.23315	19.5
342.23615	10.1
486.72745	10.4
510.61435	11.7
559.71594	8.8
787.43024	8.6
803.12103	10.5
825.53680	9.3
948.45428	23.5
949.47162	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	948.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99573	39.5
71.01373	39.1
71.51805	18.9
75.00864	33.6
80.96529	32.2
88.98773	17.7
89.02435	32.2
91.48339	12.8
94.98054	15.3
96.96002	37.6
101.02457	20.0
112.98560	43.8
114.93338	12.4
116.92846	54.1
118.87634	14.2
125.02430	18.5
126.90517	69.6
141.38730	16.6
150.03595	13.6
159.01033	15.4
170.72803	15.4
209.11789	32.9
210.12128	17.5
255.23329	36.6
277.21719	32.4
293.21176	48.5
397.13495	100.0
398.13797	49.2
415.14566	28.1
576.71545	17.3
630.75830	15.5
874.46503	25.0
948.49207	26.7
953.91522	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	948.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55015	10.0
75.00220	10.1
78.91956	10.1
78.95871	16.9
79.95721	16.7
80.96513	17.9
84.37988	9.2
94.98098	12.2
96.95995	100.0
116.92889	19.7
126.90552	11.4
149.14595	11.0
238.45581	10.1
307.19037	15.3
419.18460	10.2
443.33246	11.7
490.82626	10.6
583.37268	10.9
876.47754	15.6
948.49036	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	948.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99538	19.1
71.68710	23.3
78.95937	17.5
79.95679	21.8
80.96495	33.7
82.97742	21.8
85.02976	20.7
92.41969	18.0
95.15858	18.9
96.96003	46.1
106.83543	18.2
112.98569	26.1
114.93383	20.3
116.92828	24.7
126.90479	27.3
209.11885	100.0
210.12201	40.2
246.29884	18.3
277.21710	34.7
278.22070	28.8
397.13156	23.2
479.00717	21.2
507.15015	19.5
654.74615	22.8
948.50427	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	948.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51322	50.3
79.95740	54.9
80.96516	72.5
92.29765	45.5
94.98122	68.6
96.96018	100.0
98.64823	39.6
126.90498	66.1
206.70712	51.3
229.48465	54.9
278.98337	49.9
429.89233	52.1
690.12653	55.0
977.94537	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	947.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	4.6
69.83856	4.2
69.96232	0.8
70.24893	0.9
71.01067	1.1
71.01385	11.8
71.05008	1.6
73.02928	1.7
83.01363	1.9
85.02948	4.3
87.00867	2.8
89.02451	9.7
96.96002	2.2
97.02917	2.3
97.06569	1.6
99.00860	1.8
99.92552	0.9
101.02457	8.1
109.02974	1.0
112.65299	0.9
113.02430	3.4
116.92838	3.2
119.03462	2.4
119.98622	1.1
121.02924	1.6
123.08125	1.6
125.02444	1.2
125.09710	4.1
127.07594	1.8
135.04529	1.1
135.08192	1.0
148.81129	1.0
151.11327	2.4
153.09177	1.6
161.09691	3.9
163.11279	1.5
165.12793	1.1
167.20531	1.0
171.10225	4.2
178.45978	1.0
179.10760	4.0
185.11810	5.0
197.11819	46.9
198.12215	2.2
209.11801	15.8
221.06613	1.6
228.46060	1.0
238.12173	1.2
241.10770	2.8
283.89334	1.1
289.18091	2.6
294.72171	1.1
307.19186	7.0
325.20203	1.5
343.21378	1.1
397.13663	1.9
567.27979	1.1
641.66821	1.1
769.99683	1.2
929.44000	3.9
947.44855	100.0
948.45526	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	946.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19949	11.8
69.62710	55.6
71.01383	14.5
78.95891	11.3
88.98810	100.0
96.95988	15.6
98.19887	19.8
109.26883	12.3
110.38438	11.3
116.92854	39.8
167.72148	12.0
169.08713	16.5
171.10301	15.3
189.38116	12.5
209.11838	40.2
260.85458	12.1
305.17581	51.4
309.20731	12.4
613.10974	13.4
946.44427	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	947.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13644	0.3
71.01369	0.5
72.99285	0.7
83.01384	3.3
84.02174	0.5
85.02948	6.7
91.21552	0.4
93.03445	0.7
97.02936	0.4
107.01379	1.5
108.02201	0.5
109.02945	0.6
111.00850	0.6
117.03450	1.5
119.05027	9.6
121.02940	1.2
129.01945	9.1
135.00923	0.4
143.04991	0.9
145.01877	0.7
145.02954	8.2
147.04504	0.5
148.01744	0.5
149.02513	0.6
149.76273	0.4
151.00368	5.7
153.68224	0.4
154.99878	1.1
159.04584	0.5
163.00346	1.3
163.04002	5.3
173.00890	7.6
175.04858	0.4
178.99857	3.1
185.06091	0.8
187.04015	0.5
201.05460	0.4
203.07115	1.2
211.03954	0.4
216.04082	0.5
226.02747	0.7
227.03445	1.0
231.06670	2.1
243.02983	4.1
245.04512	0.7
254.02205	1.2
255.02982	11.0
256.03513	0.6
257.04611	0.6
271.02463	24.5
272.02866	1.9
273.03931	0.5
275.05399	0.6
293.06693	0.6
299.01950	0.8
300.02731	57.5
301.03467	19.8
302.03931	0.5
319.04599	1.9
337.05643	10.0
343.04684	0.5
609.14563	100.0
610.14874	8.9
629.96118	0.4
719.02258	0.4
962.28125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99578	5.1
71.01385	13.3
71.08278	5.9
75.00855	23.1
86.82954	5.0
88.98792	18.3
89.02440	13.1
89.12138	5.2
101.02444	6.1
103.00370	13.0
111.11914	5.3
116.92878	57.7
117.92867	9.5
126.90504	100.0
209.11798	6.4
222.00119	6.0
223.13330	20.6
224.13728	19.8
277.21658	17.4
278.22052	10.8
293.75034	5.6
397.13538	11.1
399.13873	8.5
804.97247	6.2
898.36450	6.4
932.22632	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	946.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50150	12.7
71.01396	14.1
73.73968	12.1
88.98809	100.0
92.92817	12.6
98.19839	24.3
105.01970	11.7
116.92873	23.3
145.81863	13.9
192.47174	13.8
209.11928	22.1
257.50421	15.5
277.21765	15.5
397.13245	15.9
472.91214	13.2
543.53589	15.0
643.62280	17.2
931.53375	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	943.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74310	0.5
68.99843	0.5
69.03446	1.8
69.56284	1.0
69.56688	3.4
70.02328	0.5
71.01374	8.4
72.99294	0.7
73.02933	1.2
74.71233	0.5
80.02670	0.8
81.03452	1.3
83.01369	0.9
83.05046	2.8
84.02170	0.8
85.02944	11.3
86.07938	0.6
87.00864	1.8
89.02455	4.5
93.20595	0.6
95.01408	0.6
95.05019	1.7
97.02934	2.9
97.06578	4.1
99.04537	0.7
101.02443	7.2
109.02934	0.6
109.06570	1.4
111.08138	0.8
111.44880	0.6
112.05347	0.7
113.02441	3.1
114.15234	0.5
115.07652	1.0
116.92902	1.7
119.03518	1.6
123.04528	1.0
123.08184	1.0
124.96315	0.6
125.02376	0.5
125.09707	4.7
126.90502	1.1
127.07651	2.9
127.11256	1.4
130.81079	0.5
135.08160	1.8
137.09715	4.4
139.07614	0.8
145.05078	1.0
149.09744	1.0
151.11295	0.6
153.09212	8.3
155.10750	1.6
155.14336	0.6
161.04561	3.1
163.11266	4.0
165.12819	2.2
167.10822	0.7
171.10266	47.3
172.10616	1.0
177.12845	0.9
178.09987	2.5
179.05637	1.4
181.12341	0.8
183.13911	3.0
185.11815	6.3
191.10822	1.1
191.14359	1.2
193.12314	1.9
197.11830	7.9
198.12019	0.8
201.11285	1.4
209.11823	50.4
210.12184	2.4
211.11481	1.1
211.13371	13.9
219.13754	0.6
221.11818	2.8
227.12842	1.6
229.14439	9.2
235.08203	7.1
236.10555	1.1
238.12143	2.2
239.12860	1.7
245.19083	3.5
253.09265	20.8
261.18387	0.8
263.20172	1.2
265.18130	0.7
271.17099	0.7
279.19702	1.2
289.18100	13.1
290.18600	0.7
291.19617	4.8
307.19141	60.9
308.19489	4.5
309.20688	6.6
325.20184	26.8
326.20581	1.5
327.21750	100.0
328.22128	6.1
338.67813	0.6
343.21301	0.8
407.19226	1.0
445.20795	0.5
472.53320	0.5
474.21191	1.4
525.27179	1.9
543.28101	21.2
544.28387	2.6
545.29706	2.9
561.29211	3.9
563.30695	7.4
564.30927	0.8
617.40649	2.0
635.41766	1.3
717.39978	0.6
731.82751	0.6
784.42535	5.7
785.42999	0.8
802.44128	0.6
853.49518	28.9
854.50366	5.0
871.50720	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	943.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27810	15.4
71.01380	10.0
72.60530	1.7
73.02918	2.7
79.90218	2.3
81.03448	2.4
83.05038	4.1
84.02155	1.9
85.02960	10.7
89.02454	6.3
96.96035	2.9
97.03000	3.1
97.06609	5.5
99.92574	5.9
101.02451	5.4
113.02463	6.3
116.92852	34.5
117.92855	4.4
123.04600	2.1
125.09623	4.4
126.90501	3.5
127.07659	4.0
127.11275	1.8
153.09200	7.5
161.04497	4.8
163.11266	2.3
165.12846	3.1
171.10262	33.5
178.09984	3.2
183.13905	3.5
185.11790	7.6
188.99046	2.1
197.11816	10.5
208.79755	2.0
209.11827	56.1
210.12221	2.5
211.13368	19.0
221.11819	3.3
227.12935	3.1
229.14435	10.6
231.87648	2.0
235.08217	7.4
238.12120	2.0
239.12964	3.6
245.19035	3.1
247.20738	2.3
253.09196	23.9
282.12421	1.8
289.18073	13.1
291.19595	7.7
307.15585	4.0
307.19135	65.3
308.19586	4.1
309.20667	9.3
312.57010	2.0
325.20154	24.2
327.21753	100.0
328.22107	6.8
343.21231	4.1
422.04114	2.5
543.28094	22.2
544.28229	6.2
545.29626	3.6
561.29474	5.8
563.30579	5.6
692.66638	2.5
784.41980	6.3
792.14532	2.4
853.49304	29.1
854.49921	3.4
871.50897	7.4
889.44067	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	943.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77778	0.4
70.78154	0.4
71.01380	0.4
87.00871	0.9
88.00394	1.4
88.98806	100.0
89.02436	3.6
89.99140	0.6
101.02412	0.3
113.80370	0.2
116.92881	0.5
126.90498	0.6
139.81883	0.2
164.34988	0.2
171.10143	0.4
185.11963	0.3
197.11707	0.3
199.09785	0.2
209.11786	1.5
235.08258	0.4
241.18251	0.2
248.00308	0.2
252.44182	0.2
253.09293	0.8
291.19492	1.0
292.19910	0.3
305.17569	0.3
307.18991	1.0
309.20844	1.9
310.21060	0.6
311.21750	0.2
325.20016	0.3
327.21829	0.5
341.23285	0.5
409.09625	0.3
803.79718	0.2
907.49390	0.2
943.45734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	1.7
72.99290	1.2
75.00871	72.5
88.98807	31.3
89.02425	1.2
97.06592	1.2
97.29215	0.9
101.02444	2.5
103.00373	100.0
104.00695	1.5
116.92808	2.5
165.12723	1.1
171.10220	2.5
191.14290	1.4
191.15990	1.1
193.19316	1.1
197.11813	1.5
209.11771	2.5
229.39984	1.4
247.20757	1.5
253.09248	5.0
273.18420	1.3
289.18048	2.2
291.19659	16.4
292.19836	1.3
293.21106	4.1
307.19089	4.6
309.20715	27.8
310.20874	2.2
323.22162	2.4
327.21631	1.2
341.23163	2.1
342.33438	1.1
527.28082	1.4
545.29742	1.8
681.87897	1.2
819.48822	1.9
903.47931	1.8
905.48706	1.5
941.50482	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	941.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73740	0.5
68.99813	0.5
69.03426	3.6
70.77927	1.2
71.01381	21.4
71.05006	0.8
72.89806	0.5
72.99311	2.8
73.02953	4.1
75.00854	0.9
76.95385	0.4
81.03453	1.0
83.01388	2.0
85.02949	4.7
87.00885	4.1
88.98792	2.2
89.02448	15.4
93.03458	0.7
95.01391	1.7
95.05003	0.8
96.27827	0.4
97.02950	3.3
99.00861	1.3
99.92579	3.5
101.01804	0.8
101.02447	13.7
103.00375	1.0
109.06618	0.7
111.04520	0.7
113.02451	10.6
116.92862	37.2
117.01962	1.1
117.92863	2.2
119.03491	4.3
125.02446	6.0
125.09721	0.5
126.90478	0.9
129.82416	0.5
131.03505	0.5
134.89487	0.6
135.11816	0.4
139.03970	1.0
141.01880	0.7
141.09123	0.5
143.03477	2.7
149.04584	0.6
161.04550	4.1
167.10728	2.6
177.12898	0.8
179.05589	5.0
179.10768	1.3
179.14410	2.8
195.13904	8.6
199.06129	0.6
205.12325	10.2
207.21873	0.5
217.07146	0.7
221.06743	2.5
223.13379	100.0
224.13770	4.5
235.08215	5.6
253.09367	0.6
263.07657	0.7
269.06543	0.6
277.21710	72.5
278.21976	3.6
287.07724	1.7
299.12274	0.5
305.08768	2.0
323.09738	2.5
379.12482	12.2
380.12885	0.9
382.35736	0.5
397.13501	55.6
398.13873	2.7
415.14526	9.6
459.32660	0.6
603.26575	16.7
603.36407	1.0
604.26862	1.6
621.27576	10.7
622.27490	1.0
657.35089	3.1
675.35992	5.1
676.35669	1.1
881.48944	8.0
882.49176	1.7
929.85034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37537	0.5
70.82598	0.8
71.01380	9.3
71.05019	0.9
72.99302	0.7
73.02940	1.5
77.43620	0.5
80.02690	1.0
81.03470	1.0
83.05038	3.7
84.02172	1.3
85.02945	2.2
87.00874	1.2
89.02446	3.0
93.03455	0.7
95.01398	0.6
95.05013	1.8
97.02940	0.7
97.06580	2.5
98.03713	0.6
99.00878	0.7
99.04515	1.2
99.08159	2.0
101.02441	5.2
109.06600	1.0
111.00875	0.6
111.08202	0.8
112.05302	1.5
113.02444	2.1
115.07636	2.0
119.03470	1.4
123.04512	1.4
123.08116	0.9
125.02385	0.6
125.06048	0.7
125.09711	5.0
127.07654	5.2
135.08170	3.0
137.09698	1.1
139.07661	1.9
141.09177	1.0
143.03566	0.7
145.05060	0.6
149.09714	0.8
151.11324	0.6
153.09215	14.5
155.10767	2.5
161.04549	1.9
163.11281	5.4
165.12811	3.2
166.19099	0.5
171.10272	20.0
172.10728	0.6
178.09969	4.1
179.05644	0.6
179.10719	0.8
181.12363	1.7
183.13885	0.7
185.11810	9.8
191.10764	3.4
191.14394	2.5
194.79460	0.5
197.11807	12.6
207.10181	1.1
209.11818	65.5
210.12152	2.4
211.13277	0.9
219.10330	0.6
219.13881	0.8
225.11267	0.8
227.12862	1.3
235.08182	3.5
235.20509	0.7
236.10632	1.2
237.11346	0.9
238.12160	3.6
239.12708	0.6
245.19118	3.9
251.16431	0.6
253.09219	9.5
254.09529	0.6
256.13174	1.0
261.18472	0.9
263.20111	1.3
265.18024	0.9
270.32410	0.6
279.19553	3.0
289.18088	22.0
290.18250	1.5
297.20706	1.6
305.17609	1.9
307.19135	100.0
308.19458	6.7
309.20764	2.1
315.19049	0.6
323.18774	0.8
325.20187	39.8
326.20499	2.2
327.21686	2.2
407.18988	1.0
410.32419	0.5
474.21051	2.0
525.26959	3.8
543.28113	28.4
544.28619	2.5
561.29303	4.8
562.29285	0.7
693.38580	0.6
697.38068	4.1
698.38593	0.9
709.38251	0.7
715.39081	1.0
723.40033	1.1
753.39734	0.7
764.39160	3.3
782.40710	5.2
783.41394	1.0
800.42908	0.7
815.45532	1.3
833.46918	11.7
834.47168	2.0
851.47742	10.2
852.48816	2.2
869.48730	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	941.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.7
69.58115	3.4
69.58537	1.9
71.01379	10.6
71.05036	1.0
72.02157	2.4
72.99277	1.1
73.02950	2.6
75.00909	0.8
81.03452	1.3
83.01408	1.0
83.05022	2.9
84.02159	3.3
85.02940	5.3
86.74345	1.0
86.93864	0.9
87.00856	1.9
88.98804	27.3
89.02444	4.8
93.03402	1.0
95.01355	1.4
95.05005	3.7
97.02933	3.5
97.06589	17.2
99.00871	10.0
101.02432	6.2
103.60638	0.8
107.05015	4.0
109.06573	2.3
110.03760	1.1
111.00859	1.6
111.08123	1.9
113.02436	4.4
116.92847	5.7
119.03487	1.4
123.08150	3.9
125.02446	2.2
125.06085	46.0
125.09705	6.9
126.06367	0.9
126.90531	2.6
127.07681	1.7
127.11243	2.2
134.89438	1.2
135.08156	2.6
139.07626	7.8
141.09219	13.0
145.05028	1.2
151.07614	4.4
151.11275	1.5
153.09186	3.6
155.10770	1.1
161.04509	2.7
163.11266	6.7
165.09172	1.1
165.12834	7.3
167.10815	1.1
169.08694	66.8
170.09071	1.9
171.10268	26.1
172.10646	1.0
177.09071	1.0
178.09959	1.1
179.14394	1.6
180.24249	0.9
181.12318	6.3
182.13113	0.8
183.10358	0.9
185.11786	3.7
191.10783	2.0
193.12323	1.4
193.16013	1.6
197.11832	13.6
199.09746	2.3
199.13351	2.5
201.11302	28.7
207.10210	8.3
207.79167	0.9
209.11829	31.6
210.12143	1.6
211.13379	2.1
213.11343	1.4
219.10016	0.9
223.13422	2.2
225.11343	10.0
225.14847	1.4
227.12831	1.8
235.08211	4.3
237.11345	1.0
243.12251	2.2
247.20654	7.1
253.09259	20.9
261.18616	1.7
265.60754	0.9
269.15204	1.0
273.18671	2.0
277.18036	2.3
279.19638	1.6
287.16513	6.5
289.18021	2.0
291.19650	68.5
292.20065	5.0
305.17560	29.9
306.17813	1.9
307.19189	6.4
309.20700	100.0
310.20953	3.7
323.18710	4.9
325.20111	2.1
327.21582	1.5
334.50366	0.9
341.19327	1.5
341.23325	23.6
342.23477	1.6
437.00781	1.1
461.19949	2.6
541.26257	6.3
543.27789	1.1
545.29651	2.0
559.27509	1.3
598.59113	0.8
673.63715	1.1
753.40259	1.6
771.41644	7.6
772.42419	1.1
782.40967	3.8
783.40216	1.0
833.46552	2.6
834.47528	1.0
851.47656	4.1
852.48688	1.2
941.43835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6418
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67949	0.3
71.01369	0.4
71.61268	0.3
78.66357	0.3
83.05025	0.7
85.02948	1.1
87.00890	0.4
98.20734	0.7
102.39422	0.3
116.81273	0.3
125.70867	0.3
191.01921	0.4
202.49184	0.3
225.16071	0.6
229.46663	0.5
421.84933	0.3
451.32587	0.8
507.34805	0.3
903.66351	1.9
939.64136	100.0
940.64337	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	941.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57309	0.1
66.97446	0.1
70.48177	0.3
73.02946	1.9
75.00868	0.1
88.98810	0.3
89.02461	0.1
99.00877	0.3
99.92584	11.4
100.92583	0.4
101.92357	0.1
103.00352	0.1
103.35464	0.1
110.52922	0.1
114.93418	0.9
116.92860	100.0
117.01933	3.4
117.92871	3.9
118.92623	0.5
118.93423	0.1
191.04175	0.1
238.38275	0.1
293.21271	0.2
576.09174	0.1
788.42310	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	939.442
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99572	0.8
71.07773	0.1
71.08096	0.2
73.02943	2.2
75.00859	0.2
88.98811	0.4
99.00887	0.3
99.92583	11.2
100.92602	0.3
112.98557	1.0
113.98833	0.1
114.93414	0.9
116.92860	100.0
117.01935	4.1
117.92874	3.0
495.84427	0.1
502.04587	0.1
782.84778	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	939.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10413	0.1
68.99586	0.9
72.36237	0.2
73.02946	2.1
97.93173	0.3
99.00867	0.3
99.92587	11.3
100.92592	0.3
105.01936	0.2
112.98586	0.7
114.93429	0.9
116.92863	100.0
117.01943	3.3
117.16989	0.2
117.92876	3.0
134.89473	1.9
134.90387	0.2
180.76131	0.2
181.05653	0.2
240.03929	0.2
307.23212	0.2
445.47546	0.2
516.55945	0.2
789.47711	0.2
828.03955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.441
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	0.2
71.08712	0.3
73.02945	1.6
73.44861	0.1
80.96521	0.4
88.98790	0.4
96.96023	0.2
99.92585	11.9
100.92608	0.3
103.00393	0.2
107.71706	0.1
114.93420	0.8
116.92861	100.0
117.01928	2.4
117.92870	3.1
134.89420	0.2
720.92126	0.2
903.49603	0.2
939.45667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58022	0.1
71.20750	0.2
71.21094	0.4
72.76158	0.2
73.02949	1.7
86.95406	0.2
97.93130	0.2
99.00900	0.4
99.92581	12.2
100.92606	0.4
114.93414	1.3
115.92146	0.3
116.92861	100.0
117.01937	2.9
117.92868	3.1
129.32535	0.1
218.15213	0.2
257.82077	0.1
300.31259	0.2
315.80869	0.2
359.06000	0.2
453.83163	0.2
953.28943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.4
71.22395	1.3
83.01369	5.0
83.15186	0.6
84.02149	1.7
85.02948	100.0
86.03295	1.9
87.00872	1.0
89.00331	1.6
101.02451	1.1
101.94809	0.7
106.00617	1.2
107.37966	0.7
111.00877	11.3
121.02954	19.6
122.03252	0.8
123.00882	2.4
127.00401	1.3
129.01942	65.1
130.02301	1.7
138.03224	2.3
139.00343	2.2
139.04010	1.2
147.03004	7.7
153.05571	13.5
154.99817	1.0
163.04016	0.9
166.99817	1.5
173.00902	20.4
173.02406	1.2
182.02190	5.8
191.01973	6.5
196.04036	0.7
197.04539	42.3
198.04877	1.9
209.03023	1.3
230.02818	0.8
237.07634	1.6
250.04839	0.8
265.07126	8.9
266.07635	0.8
309.06232	1.5
327.07184	15.4
371.06155	26.1
372.06601	1.8
389.07269	12.2
390.07840	1.2
453.99554	0.7
569.11420	11.6
902.86682	0.9
927.83734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37135	84.1
71.01385	14.2
78.95931	16.3
79.95740	20.0
80.96535	60.3
94.98126	14.5
96.95999	95.1
98.19946	29.4
99.50723	12.1
99.92553	24.0
105.44078	11.2
116.92135	15.3
116.92852	100.0
126.90499	45.3
132.93877	11.8
155.17607	11.1
209.11792	26.8
211.13376	13.9
225.00771	14.3
246.87782	11.9
248.96237	13.5
285.24048	13.6
289.18292	12.2
307.19116	14.3
472.61902	13.3
552.93079	15.6
568.67706	12.0
568.98541	12.2
936.43781	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	936.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	16.6
71.52575	8.0
73.16370	8.0
80.96531	20.2
85.02970	19.8
99.92627	12.6
116.92850	100.0
117.92889	12.2
171.10301	12.0
209.11705	11.4
275.52261	8.4
327.21741	30.0
328.21918	12.6
329.22253	8.5
339.54416	9.3
936.48560	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	934.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99548	45.1
71.08196	47.2
71.39561	24.8
74.77552	24.1
79.95733	52.9
80.96494	38.3
83.05499	24.9
96.96012	100.0
112.98573	73.3
116.92901	50.8
193.03108	26.2
207.30605	25.9
349.28006	28.0
609.25812	28.7
934.48444	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67770	3.4
69.43945	23.9
71.01380	7.0
80.96537	3.4
85.02962	7.4
87.00867	3.4
89.02424	3.1
98.19857	3.8
99.92568	8.0
101.02401	4.0
114.93436	6.1
115.42392	2.9
116.92861	100.0
117.38109	3.1
117.92868	3.3
120.94871	3.4
143.93391	3.5
163.11331	3.8
171.10326	4.5
181.12260	3.4
185.11798	3.6
197.11827	4.4
209.11787	9.8
211.13480	6.0
219.02963	3.7
225.11328	5.3
307.19144	5.4
327.21780	5.7
397.13367	3.4
401.90765	4.0
934.46814	19.7
935.47308	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	934.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36774	14.0
71.01373	17.4
79.95722	29.9
80.96516	52.8
82.66013	11.7
92.07615	11.8
94.98083	19.8
96.96015	85.9
96.96934	17.2
98.20440	100.0
104.90963	12.7
116.92879	30.9
126.90486	14.6
134.89461	18.6
225.00871	12.5
259.50812	13.2
289.18097	28.5
291.19699	21.6
307.19135	28.2
309.20709	41.9
310.21176	34.0
319.38080	11.9
934.48914	39.7
935.43170	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.47
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	14.0
71.52414	1.8
72.99313	2.0
73.02955	2.6
81.03449	2.6
83.01421	1.8
83.05040	8.0
84.02144	1.2
85.02950	6.2
86.62344	1.1
87.00874	2.9
88.98833	1.2
89.02438	11.8
95.05010	2.4
96.96000	3.3
99.04485	1.4
99.92589	1.6
101.02438	11.8
106.05847	1.2
112.05271	1.5
113.02451	5.5
116.92871	6.8
119.03479	3.5
125.02438	4.4
125.09740	1.9
126.90450	2.1
127.07584	2.2
131.03499	1.2
143.03419	1.8
153.09212	9.6
161.04506	1.6
163.11311	6.0
165.12825	3.6
171.10274	13.1
179.05568	4.4
181.12440	1.3
184.34978	1.3
185.11806	4.2
191.10660	2.1
197.11790	5.4
207.10204	1.9
209.11821	100.0
210.12094	4.1
221.06595	2.1
227.12843	12.9
235.08202	3.0
245.19067	2.4
280.69638	1.2
289.18045	6.7
297.20773	1.7
307.19116	43.4
308.19266	2.6
325.20172	23.3
327.21790	2.4
379.12292	2.0
397.13437	22.2
415.14603	8.1
529.62103	1.2
611.64404	1.3
635.76324	1.3
687.32294	4.3
702.14099	1.4
705.33331	11.8
706.32391	1.8
723.33813	2.5
828.17853	1.4
846.38763	1.7
869.45642	1.3
897.44629	7.3
915.46198	7.3
933.46942	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	933.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	14.1
71.51923	5.0
78.95888	6.0
79.95733	12.2
80.91678	18.2
80.96510	15.3
81.17722	3.4
87.00858	5.2
89.02461	6.5
96.96014	47.7
96.96954	5.7
97.29254	3.6
99.92579	4.6
101.02449	8.0
113.02451	4.1
116.92850	19.3
119.03480	3.9
126.90546	6.5
134.89536	4.1
179.05602	6.7
183.98701	2.9
195.13875	7.2
202.18404	3.4
202.47453	3.7
205.12384	4.3
222.88014	3.6
223.13390	57.1
223.15428	6.6
225.00761	5.6
277.24362	3.7
293.21252	87.6
305.17819	3.4
355.24976	4.8
379.12076	5.3
397.13467	38.2
415.14584	7.0
603.26324	12.8
621.27740	20.1
673.33984	9.2
691.35443	11.2
733.46393	3.4
897.48767	34.0
933.46576	100.0
934.46832	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	933.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65329	0.8
69.03442	1.5
71.01373	13.0
71.52821	1.2
72.15761	0.8
73.02933	3.1
75.00864	1.3
78.95899	6.9
78.98598	6.5
79.95733	31.7
80.96514	69.5
83.01368	0.9
83.05016	0.8
85.02940	5.5
87.00869	3.3
89.02422	2.2
94.98087	17.4
96.96007	4.3
96.96973	1.6
97.02946	2.5
99.92548	2.7
101.02425	4.7
106.98084	3.8
111.00949	1.0
113.02453	1.5
114.93398	0.9
116.92850	12.4
119.03494	1.0
122.97572	3.5
125.02447	4.6
125.09734	0.9
126.90450	1.7
127.04034	1.4
134.74475	0.8
134.97578	7.1
136.99129	1.2
143.03477	1.0
148.99156	5.8
152.98616	6.2
161.04514	1.8
164.98621	13.3
171.10237	3.4
172.32944	0.8
185.11877	1.1
197.11806	1.4
201.11316	2.1
206.99646	3.4
207.10315	1.6
209.11786	4.6
211.13329	1.9
225.00735	24.9
225.11288	2.6
227.12651	1.3
253.09175	1.3
283.04913	3.2
289.17981	1.7
291.19604	2.6
307.19269	1.4
308.18863	0.8
309.20679	3.6
327.21564	0.9
341.05304	1.1
341.23273	2.8
355.06958	1.3
397.13287	2.9
415.14758	1.6
607.24139	2.5
679.26672	0.9
693.27106	1.0
744.60840	0.9
933.45227	100.0
934.45508	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	932.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	29.1
72.13466	13.4
75.00861	68.8
78.95909	16.4
79.95745	65.9
80.96515	49.2
85.05793	11.5
89.02390	17.4
96.95997	99.8
98.20285	100.0
99.92603	19.4
101.02425	19.4
114.56070	13.1
114.97759	18.4
116.61713	13.3
116.92834	87.3
117.92908	15.5
124.95551	12.2
126.90467	20.3
134.89442	18.5
134.97543	13.9
150.15977	12.8
197.11792	26.9
209.11829	38.6
211.13211	14.1
259.15466	18.6
291.19571	23.8
309.20633	14.3
327.21667	28.2
366.26917	14.2
472.12573	15.2
626.66357	12.5
700.84363	15.1
923.67297	17.6
932.45959	39.4
933.46368	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11337	13.8
71.01402	28.8
71.51876	15.7
80.96503	18.8
113.02444	23.2
116.92838	100.0
120.08744	13.0
171.10251	43.6
185.92850	14.0
209.11717	32.3
289.17972	17.7
293.21259	22.9
303.26056	14.9
307.19241	16.0
325.20251	19.2
341.23471	15.3
463.50601	14.9
861.65894	15.0
896.50922	76.3
900.40936	15.0
932.48297	28.9
933.45221	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	932.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	20.5
71.52049	21.4
78.95918	33.4
79.95722	67.8
80.96520	79.0
89.02422	16.4
96.95985	58.3
99.92561	16.4
116.92842	100.0
127.11218	16.0
171.10237	30.0
180.75151	17.9
209.11781	53.5
225.00763	27.0
253.09413	25.3
254.75549	17.2
259.15424	28.7
276.31165	17.0
293.21323	18.4
309.20609	20.4
327.21680	25.4
328.21765	18.7
455.12677	17.7
472.35364	17.9
472.62134	15.3
831.33716	19.3
932.43567	81.4
933.45624	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	20.3
78.95894	27.6
79.95728	35.6
80.96517	50.8
89.02406	15.8
96.96009	68.3
98.20274	100.0
101.02428	16.0
103.14807	15.1
115.69316	15.0
116.92849	58.8
118.34343	14.6
126.90604	17.1
169.08664	20.9
178.52600	17.8
181.29567	16.9
197.11803	70.5
198.12219	19.0
209.11829	41.4
222.95299	15.9
225.00775	19.1
225.11278	19.7
235.08302	18.7
281.71631	17.2
289.18002	18.9
291.19733	25.0
293.21161	49.3
294.21439	25.2
305.17715	29.1
307.18933	22.6
309.20721	74.9
397.13593	33.2
398.13754	27.0
871.57928	20.3
932.48035	41.3
933.46161	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.441
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05123	31.0
79.95744	38.7
80.96536	67.2
81.29738	31.2
84.81165	34.1
85.02953	32.6
95.40810	32.4
96.96022	100.0
99.88280	31.4
105.84928	39.1
160.08888	34.6
309.20810	34.5
892.07983	42.3
933.46838	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61956	7.1
69.62360	17.5
71.01385	26.1
76.72083	3.6
84.09752	4.2
85.02959	20.4
87.53885	3.8
88.98839	4.3
89.02435	9.8
95.05012	6.4
96.96014	15.7
97.02921	5.3
97.06603	4.2
99.92551	3.6
101.02459	12.0
113.02410	4.4
116.92844	31.6
117.92818	3.6
125.02456	6.1
125.09729	6.8
126.90498	14.2
134.89496	5.2
153.09196	7.2
161.04648	4.5
161.09892	4.3
165.12805	3.7
171.10263	61.2
173.86015	3.8
176.21181	4.4
178.48196	3.6
183.13840	4.5
185.11816	9.0
197.11844	36.2
197.30765	4.0
201.11203	3.7
209.11816	45.2
211.13364	15.5
227.12596	3.8
229.14476	10.4
235.08173	9.4
250.04643	4.2
253.09317	22.2
289.18103	13.8
291.19580	10.9
292.76093	4.5
307.19144	66.3
309.20624	8.6
325.20172	28.6
327.21753	100.0
328.21957	5.4
397.13672	6.4
543.28119	16.6
545.29517	5.2
561.29205	4.8
563.30719	5.5
797.71906	5.1
853.49554	42.6
854.50214	7.2
871.50580	17.0
931.45508	51.8
932.44336	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	931.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52640	0.5
69.03413	2.7
71.01379	14.8
71.05018	0.9
71.52121	0.7
72.99303	1.5
73.02939	2.4
81.03451	0.9
83.01392	1.9
83.05040	1.2
85.02943	8.2
87.00871	2.7
89.02443	11.1
92.51593	0.5
93.03456	0.8
95.01413	1.2
95.05009	0.9
96.95994	1.8
97.02939	2.6
97.06601	2.2
98.57069	0.5
99.00850	0.6
99.92583	0.6
101.02441	10.0
103.70588	0.6
109.06601	0.7
113.02435	4.7
116.92856	3.9
119.03492	3.2
124.43398	0.5
125.02415	3.9
125.09715	1.1
126.90505	1.3
127.07598	0.6
127.11309	1.0
131.03477	0.6
131.29919	0.5
137.09712	1.6
143.03484	2.0
149.09775	0.6
151.60057	0.5
155.10834	0.8
161.04568	2.2
163.11246	0.6
165.12860	1.2
167.10759	1.8
171.10265	19.6
172.10701	0.6
172.14304	0.5
177.12845	0.6
179.05608	1.8
179.10771	0.8
179.14369	2.6
181.12373	0.7
183.13904	1.7
185.11742	1.1
191.01959	0.5
195.13901	6.4
197.11852	1.5
201.11258	1.4
205.12314	4.8
207.10277	0.8
209.11838	3.9
211.13399	12.3
221.06596	1.3
221.11807	2.2
223.13383	34.1
224.13657	0.9
225.11273	1.1
227.12888	0.7
229.14429	8.7
235.08206	3.2
239.12843	1.7
253.09175	1.2
272.55121	0.5
273.18469	0.5
287.07635	0.7
289.18121	1.2
291.19659	5.2
305.08862	1.2
305.17633	0.8
307.19220	1.0
309.20718	9.7
323.09979	0.6
327.21750	100.0
328.22055	4.8
388.36664	0.5
397.13498	32.0
398.13895	1.6
415.14572	13.1
416.15189	1.0
460.39032	0.5
533.34521	2.5
621.27618	15.2
622.27551	1.5
707.34814	7.0
725.35669	5.8
931.47327	7.5
932.48938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	6.9
69.51717	2.8
69.52117	6.5
71.01380	25.7
71.05016	1.5
72.99284	2.1
73.02936	3.4
75.22428	1.2
78.95879	2.8
81.03423	1.3
83.01373	2.2
85.02946	9.0
87.00867	5.1
89.02453	13.7
95.01359	1.8
95.05019	2.7
96.96011	1.6
97.02949	3.8
97.06580	2.0
98.20633	2.4
99.00844	1.9
101.02441	14.8
101.80796	1.1
104.47772	1.2
108.39773	1.1
109.06561	1.3
113.02456	6.7
116.92860	10.5
119.03499	4.5
123.08149	1.8
125.02403	3.7
125.09735	2.9
126.90486	3.3
137.09711	1.5
143.03513	1.7
151.11285	1.3
153.12805	3.0
159.89513	1.3
161.04509	3.0
161.09691	3.4
163.11285	2.8
165.12820	4.8
171.10280	18.9
179.05632	2.6
179.10770	6.6
179.14369	1.7
185.11792	2.5
195.13878	4.6
197.11815	46.0
198.12115	2.5
201.11368	2.6
205.12285	3.3
209.11829	6.5
211.13385	4.3
221.06566	3.6
221.11919	1.3
223.13365	22.4
225.11287	2.0
229.14421	3.7
235.08234	3.1
239.12862	1.2
247.20651	4.9
253.09248	2.0
267.45694	1.2
273.18704	1.8
289.18112	4.3
291.19644	27.7
292.19958	2.1
309.20651	13.1
327.21753	57.0
328.22134	2.5
397.13452	26.1
398.13931	1.7
415.14407	8.2
476.95853	1.3
533.34473	1.6
621.27673	10.8
707.34784	4.9
725.35876	3.3
931.45465	100.0
932.45630	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00306	0.6
69.17246	2.9
69.17673	2.1
71.01381	2.6
73.02934	1.4
83.01394	0.6
85.02943	1.9
89.02430	2.1
98.19929	0.9
99.04507	8.5
101.02453	5.3
107.01397	1.2
108.02166	1.2
109.02941	1.0
109.27242	0.5
121.02953	1.7
125.02457	5.7
130.62021	0.6
135.00870	1.0
145.06651	0.5
145.07707	1.8
148.01691	0.9
149.02422	0.7
151.00357	8.2
159.00131	0.5
160.06400	5.8
161.04543	5.7
161.05785	1.0
161.07198	19.3
163.00400	1.5
164.01039	0.7
173.10915	0.6
175.08752	13.3
176.09094	0.4
178.99863	4.6
185.10857	1.0
187.08777	2.4
189.06686	39.0
190.06981	1.0
191.01991	0.7
199.03946	0.7
201.10345	3.5
203.08257	20.5
203.11855	6.1
204.08549	1.0
211.03951	0.8
217.09808	0.5
226.02736	1.4
227.03452	1.6
229.05142	0.8
229.09801	9.3
243.02969	7.7
244.03539	0.7
245.04553	1.1
245.09218	0.8
254.02177	1.9
255.02977	20.4
256.03360	1.0
271.02457	40.5
272.02963	3.0
273.03500	0.5
277.11938	2.5
283.02475	0.9
299.02194	0.8
300.02725	84.4
301.03455	38.2
302.03897	2.5
305.11414	27.5
306.11591	1.2
323.12457	83.9
324.12796	4.3
365.13492	16.3
366.13736	1.1
405.16501	3.1
463.08792	100.0
464.09088	7.4
465.09366	0.9
465.51913	0.5
466.09656	0.7
467.16656	46.7
468.17142	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	930.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52070	37.6
75.00845	40.0
80.96520	84.5
88.98806	54.8
96.68065	35.5
116.92848	42.4
126.90473	52.4
209.11890	51.8
247.11403	35.5
308.18774	39.0
323.22269	39.6
371.38608	37.4
569.14056	40.1
870.45679	44.1
889.80573	51.2
931.46344	100.0
963.21741	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24519	19.5
71.01382	32.5
71.52177	18.7
71.52579	31.3
75.00900	17.3
76.88452	18.9
80.96490	32.3
86.56839	17.8
88.43282	17.7
88.98790	22.6
89.02419	21.5
96.96021	32.4
116.57417	19.9
116.92852	100.0
126.90533	26.9
131.13068	21.8
134.89455	28.9
136.89178	33.6
171.10214	40.2
197.11823	29.1
198.12160	18.4
209.11833	57.9
209.87422	22.2
291.19693	27.6
307.19208	23.1
309.20831	46.5
310.21237	24.1
317.27045	18.8
323.22284	23.2
327.21722	28.5
328.21573	23.6
930.47351	56.6
931.44611	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.4
71.01383	15.6
72.99306	2.0
73.02947	2.3
75.00890	2.7
80.85386	1.1
80.96439	1.3
83.01394	2.9
85.02949	4.2
86.98241	1.2
87.00881	3.4
88.98810	17.6
89.02444	13.5
91.98483	1.2
95.01385	2.8
97.02962	1.7
98.19910	4.6
99.00928	1.1
101.02443	12.0
103.00382	1.3
105.01891	5.5
113.02461	6.9
116.92910	2.7
119.03510	4.0
125.02451	7.5
143.03479	1.9
152.95807	1.1
161.04559	3.8
179.05559	2.7
183.13860	6.9
211.13390	100.0
212.13695	4.5
217.07158	1.6
221.06691	1.2
235.08173	5.5
253.09251	1.4
275.20154	2.0
277.21719	57.1
278.21930	2.9
287.07657	2.8
300.59488	1.1
305.08768	1.9
317.77460	1.2
342.23596	2.9
379.12445	13.0
397.13480	44.2
398.13757	2.1
415.14639	7.4
591.26666	9.0
609.27484	5.0
645.87006	1.2
655.54785	1.2
657.34875	3.2
659.80304	1.3
675.36035	5.3
819.95990	1.4
869.48083	1.7
893.45251	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	928.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55035	100.0
71.01398	24.6
75.00872	44.8
88.98806	62.6
116.92783	38.7
126.90491	41.9
171.10211	25.3
179.09138	19.9
197.11775	21.8
209.11778	43.8
219.46130	19.2
244.87080	22.9
253.09250	36.1
291.19571	54.5
307.19305	27.5
309.20654	79.5
310.21036	26.9
327.21768	47.7
328.22174	27.9
341.23276	28.0
547.33026	25.0
740.74243	25.2
745.51556	20.2
890.47119	31.7
892.47742	41.0
928.44525	31.3
961.48877	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85600	5.9
71.01374	10.7
71.51585	10.8
85.02943	11.8
87.00829	7.2
88.98795	9.0
95.83346	6.1
101.02478	8.8
113.02460	6.8
114.93409	10.1
116.92836	33.8
123.53732	5.8
125.02454	6.4
126.90524	11.5
134.89490	9.7
139.07674	7.3
164.31844	6.1
171.10248	19.1
197.11807	22.1
209.11801	11.5
211.13348	9.3
235.08224	8.5
247.20251	6.3
253.09380	33.3
289.18097	7.6
291.19641	22.2
292.20044	10.0
307.19110	20.1
309.20712	79.3
310.21036	26.4
311.21606	11.8
323.22092	6.0
327.21750	63.3
328.22134	14.8
329.23007	7.5
401.94608	7.5
545.29608	22.1
563.30737	10.6
564.29968	8.4
688.76685	7.4
855.50830	21.9
857.52295	7.6
891.48322	87.2
892.49121	10.3
893.48755	100.0
894.48535	17.5
929.46008	58.0
930.46185	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	927.497
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.5
71.01373	6.4
71.42289	0.9
73.02942	1.5
85.02942	6.4
87.00880	1.7
88.98763	1.0
89.02457	4.2
95.01368	1.1
96.96005	1.5
97.02937	1.4
97.06585	3.8
98.20507	0.9
99.92618	1.4
101.02426	5.2
106.45096	0.9
109.06582	1.0
111.08127	2.0
113.02467	4.0
116.92863	6.4
117.92857	1.0
119.03493	2.0
125.09741	1.7
126.90538	1.0
127.11283	2.4
134.89473	1.9
137.09697	1.6
139.11256	0.9
151.11298	1.0
153.12810	2.4
161.04514	2.7
163.11269	1.3
165.12816	3.4
171.10268	15.7
179.05637	1.1
179.14383	1.4
181.12323	3.5
183.13925	3.8
185.11855	1.3
189.50194	0.9
193.12280	1.7
193.15971	1.3
197.11812	7.4
199.13422	1.1
209.11833	4.5
211.11525	1.2
211.13380	18.3
212.13678	1.6
212.80902	0.8
221.11867	2.1
224.26881	0.8
229.14447	13.2
235.08194	10.2
239.12874	2.1
247.20567	4.5
253.09285	24.5
273.18549	1.2
289.18085	1.6
291.19653	47.6
292.20004	3.2
293.21146	0.9
307.19141	1.7
308.19705	1.1
309.20685	100.0
310.21011	6.0
326.20740	0.9
327.21744	93.5
328.22128	4.7
378.21414	0.9
422.74683	1.0
516.02258	1.1
527.28473	1.3
545.29626	17.9
546.30103	1.0
563.30548	8.1
619.42133	2.9
855.51056	8.9
856.51184	1.5
891.48804	2.1
927.46765	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	927.495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43144	0.7
69.03459	1.7
71.01371	6.1
73.02940	1.1
83.01385	1.2
83.05014	1.7
83.59595	0.7
85.02951	7.3
87.00844	1.1
88.98788	1.3
89.02454	4.7
93.34436	0.7
95.01403	1.2
95.05011	1.5
96.95990	1.0
97.02950	2.1
97.06596	3.2
99.92609	0.8
101.02450	5.7
111.08208	1.0
113.02477	3.2
113.03194	0.7
114.80634	0.7
116.92876	9.3
119.03498	1.6
125.09711	2.4
127.11268	1.0
134.89455	2.4
135.86081	0.7
137.09714	2.1
141.12906	0.8
143.03542	0.7
151.11188	0.8
155.10800	0.9
161.04546	2.7
163.11285	2.9
165.12852	5.3
171.10260	18.3
177.12747	0.9
179.05630	1.4
179.14401	1.5
181.12277	2.4
183.13875	4.0
185.11852	1.3
193.12300	1.3
193.15988	2.3
197.11818	1.9
199.13396	1.5
201.11348	1.2
209.11813	2.3
211.13380	17.2
212.13646	0.7
221.11914	2.0
223.13443	1.7
227.87154	0.7
229.14404	11.1
235.08234	7.6
239.12909	2.8
244.50098	0.7
247.20773	5.7
253.09280	27.1
273.18558	1.6
291.19659	75.6
292.20062	3.8
309.20703	100.0
310.21057	6.9
312.16116	0.7
327.21753	89.2
328.22086	5.2
351.42953	0.8
527.28595	2.5
545.29926	5.8
563.30713	7.3
619.42059	1.6
855.51190	2.0
883.51007	0.8
927.45953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11179	0.3
71.01388	0.3
71.52206	0.5
84.73326	0.3
87.00883	0.9
88.00411	1.7
88.98804	100.0
89.02439	4.3
89.99142	0.8
103.00468	0.3
107.64935	0.3
116.92819	0.5
126.90491	0.9
171.10172	0.4
196.38422	0.3
203.20741	0.2
209.11839	0.7
223.13354	0.6
253.09305	0.5
265.14523	0.3
289.18130	0.6
291.19556	0.9
294.21429	0.4
307.19211	0.9
308.90967	0.3
309.20700	1.3
323.22189	0.5
341.23413	0.9
342.23575	0.3
391.64471	0.3
450.45676	0.3
543.27881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.6
71.51601	1.8
74.69593	1.0
75.00873	69.9
81.63834	1.1
88.98812	7.2
101.02488	1.1
103.00374	100.0
103.03951	1.3
116.92847	2.8
117.92879	1.3
119.93534	0.9
130.57965	0.9
171.10239	1.4
209.11838	2.0
218.14511	1.2
253.09293	1.2
254.46001	1.1
277.21738	6.5
307.19141	4.9
307.22473	2.1
325.20355	1.7
803.49200	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	925.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99824	2.5
70.78631	2.8
70.78989	1.6
71.01384	28.1
72.99301	2.3
73.02950	7.1
75.00866	10.9
83.01381	4.7
85.02946	16.3
87.00872	9.5
87.04511	3.3
88.98837	1.4
89.02442	7.6
95.01397	5.5
99.00875	9.2
99.92580	1.5
101.02436	11.8
103.04018	2.5
113.02457	11.3
115.03999	3.2
116.92891	8.5
119.03484	2.0
126.90517	11.8
131.03502	5.0
143.03455	4.7
148.91853	1.5
161.04535	1.2
171.10275	2.0
187.67688	1.2
205.07191	3.0
230.30339	1.2
309.20782	1.5
327.21759	3.6
333.69940	1.4
401.40643	1.4
439.35812	4.9
509.40280	3.0
513.09326	1.3
553.38617	1.8
925.51642	100.0
926.52142	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98327	1.2
69.12078	1.2
71.01383	9.4
71.06174	2.1
73.02983	2.1
81.03448	1.8
83.05020	5.2
84.02153	1.2
85.02941	2.7
87.00854	2.8
87.49954	1.2
88.98813	3.6
89.02448	4.8
95.05045	2.3
97.06571	1.9
97.67747	1.2
99.04524	1.2
101.02465	6.1
102.84545	1.1
109.02993	1.3
109.06579	1.4
109.09770	1.1
111.08180	3.9
113.02441	4.6
115.07699	1.3
116.92872	8.3
123.08138	1.7
125.09718	5.5
125.84497	1.3
126.90475	2.0
127.07629	5.2
127.11275	2.9
127.99648	1.4
129.01875	1.5
134.89476	2.6
135.08153	3.4
137.09753	1.8
151.11221	1.7
153.09221	12.1
153.12819	4.5
155.10799	2.0
161.04547	2.9
163.11264	5.3
165.12822	4.1
167.10803	2.6
171.10286	14.0
178.10005	2.5
179.10654	1.9
179.14282	1.7
181.12361	5.9
185.11795	6.0
191.10710	3.1
197.11829	14.0
199.13332	2.4
207.10150	1.7
207.13864	1.5
209.11829	48.9
210.12276	3.0
211.13348	2.8
215.12840	1.8
225.11281	2.1
227.12865	6.5
229.14331	1.7
235.08231	9.2
237.11136	1.7
238.11986	2.0
241.14386	2.6
245.19034	2.6
247.20657	6.0
253.09288	16.9
263.20145	1.9
265.21671	1.9
273.18365	3.1
279.19550	1.5
281.21191	3.0
289.18121	18.1
291.19656	39.5
292.20026	5.1
293.20609	1.8
297.20676	1.7
301.80954	1.4
305.17560	2.3
306.17889	1.9
307.19144	72.3
308.19534	4.6
309.20706	100.0
310.21097	5.9
311.22256	1.5
325.20175	24.0
326.20706	1.6
327.21616	5.7
328.22375	1.6
525.26862	4.1
527.28827	3.0
543.28131	24.0
544.28381	2.8
545.29572	17.6
552.11090	1.3
561.29138	3.3
699.39801	2.5
725.40686	1.4
756.41058	1.9
766.41211	5.9
784.42883	1.5
817.47632	2.4
835.48145	23.2
836.48438	3.2
853.50092	6.2
854.50909	1.5
889.47400	3.4
925.44342	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	923.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46261	2.2
67.11565	2.0
71.01386	9.2
71.52343	2.7
75.00885	2.7
83.05027	5.1
85.02959	5.4
87.84884	2.5
88.98798	5.2
89.02435	3.1
95.88163	2.2
96.96019	2.6
97.02952	4.6
97.06578	4.6
99.00876	2.5
99.92622	3.3
101.02444	7.4
103.96100	2.4
113.02454	5.1
116.92860	26.7
117.92863	2.5
125.06094	5.5
125.09692	3.0
135.08208	2.2
141.09265	3.4
153.09140	5.2
163.11278	3.0
169.08719	14.5
171.10266	25.8
181.12346	2.5
185.11823	7.9
197.11821	9.8
201.11351	11.8
207.10309	3.9
209.11821	76.9
210.12155	2.6
211.13354	10.6
223.23007	2.1
225.11200	3.4
227.12909	9.9
229.14429	8.1
235.08160	10.3
239.12865	2.9
253.09268	37.2
266.88666	2.5
276.11365	2.4
277.18124	3.2
287.16638	5.8
289.18250	4.9
291.19601	6.2
303.28754	2.1
305.17624	34.1
306.18015	2.4
307.19186	29.4
309.20657	6.8
323.18518	9.1
325.20135	17.6
327.21765	100.0
328.22018	5.7
341.23300	24.1
369.68723	2.6
515.03925	2.5
541.26550	10.1
543.28296	8.4
545.29645	3.8
563.30536	6.8
673.19415	2.5
735.39642	3.1
771.41638	6.1
789.42511	2.9
800.42169	7.6
851.47931	9.7
869.49713	5.7
870.48120	2.9
887.53937	6.1
923.50476	24.0
924.49091	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	925.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13479	0.6
69.79961	0.6
70.73058	0.6
71.01379	9.0
73.02955	1.5
80.02676	1.2
81.03452	1.4
83.01401	1.1
83.05025	3.7
84.02161	1.2
85.02951	2.6
87.00826	1.4
89.02424	4.9
95.01379	0.9
95.04985	1.3
97.02978	0.6
97.06573	1.5
99.00916	0.7
99.04514	1.0
101.02435	5.8
107.96157	0.6
109.06582	1.4
110.03712	0.8
111.00842	0.7
113.02434	3.5
115.07645	1.7
116.92839	1.2
119.03533	1.2
121.35197	0.6
123.04512	0.7
123.08124	1.1
125.02425	1.0
125.06065	1.3
125.09738	4.1
127.07672	4.0
127.11346	0.9
135.04535	0.8
135.08218	1.5
137.09683	1.0
141.09224	0.7
145.05017	0.8
149.50906	0.6
153.09235	11.8
155.10776	1.8
161.04564	3.0
163.11296	8.3
165.12830	7.6
171.10268	17.3
178.09998	2.7
179.05582	1.1
179.10771	1.0
179.14392	1.7
181.12357	3.1
182.21535	0.6
185.11844	7.4
191.10898	1.5
191.14404	2.0
193.15952	1.4
197.11830	9.5
199.13332	0.7
209.11818	52.6
210.12193	1.7
211.13399	1.1
219.13892	1.2
223.13300	1.8
229.29401	0.8
235.08214	4.5
236.10474	1.0
238.12044	2.5
239.16408	0.8
245.19081	4.3
246.19653	0.6
247.20781	6.3
253.09203	14.3
263.20105	1.3
273.18570	2.2
281.21176	0.8
289.18091	19.0
291.19656	70.1
292.20004	4.7
297.20645	1.7
307.19150	83.2
308.19525	4.5
309.20703	100.0
310.21085	5.7
325.20178	29.7
326.20624	1.5
403.71539	0.7
407.19333	1.0
474.21078	1.5
525.26837	3.3
527.28412	1.7
543.28131	25.5
544.28265	1.1
545.29657	2.4
553.90973	0.8
561.28949	3.7
587.19690	0.8
599.39636	0.7
617.40851	0.7
627.85767	0.7
766.41290	6.3
767.41675	1.0
784.43207	1.0
817.47552	2.0
835.48450	17.6
836.48639	2.8
853.49762	4.5
854.49884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.2
73.02946	2.2
75.13830	0.2
80.96519	0.2
89.71690	0.2
99.00891	0.5
99.92587	10.8
100.92584	0.5
103.00397	0.2
114.93415	0.6
116.92862	100.0
117.01936	4.7
117.92870	3.7
117.93671	0.3
121.04558	0.2
168.85860	0.2
180.39825	0.1
195.13835	0.2
197.87286	0.2
221.00104	0.2
229.25775	0.2
237.14932	0.2
253.49535	0.2
277.21497	0.3
923.48553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02947	2.3
91.68842	0.2
99.00886	0.4
99.92584	12.2
100.92616	0.5
103.00383	0.2
114.93420	0.8
116.92860	100.0
117.01932	3.6
117.92864	3.6
117.93663	0.2
122.93887	0.1
229.47485	0.2
255.63829	0.2
337.17599	0.2
352.19446	0.2
417.27756	0.2
828.40033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79684	0.5
68.99832	0.8
71.01388	2.9
72.99314	0.6
76.17921	0.6
83.01381	4.3
84.02158	1.7
85.02952	100.0
86.03273	1.4
87.00863	0.9
89.00332	1.2
95.01379	0.5
98.20295	3.6
101.02430	0.6
103.00391	0.5
106.00616	1.1
111.00884	11.8
112.01132	0.4
119.04999	0.5
121.02959	17.2
122.03294	0.5
123.00893	2.7
126.27088	0.4
127.00364	1.0
127.19904	0.5
129.01945	61.2
130.02258	1.0
133.02872	0.7
135.04530	1.4
136.98813	0.9
137.02463	0.6
138.03188	2.8
139.00357	3.0
139.04041	1.2
147.02989	8.7
153.01918	0.5
153.04320	0.7
153.05579	12.8
154.99872	0.8
161.02434	1.0
166.99933	2.0
173.00912	19.6
174.01207	0.5
179.03484	1.2
180.00580	0.4
182.02203	6.2
189.01814	0.5
191.01978	12.0
191.03653	0.9
191.49661	0.5
196.03795	0.9
197.04544	39.4
198.04948	1.2
209.03029	1.9
211.06046	0.6
222.05359	1.7
237.07802	1.3
265.07169	8.5
266.07547	0.5
267.50241	0.4
309.06238	1.2
327.07202	15.8
328.07657	0.6
353.05270	1.5
371.06171	24.4
372.06680	1.5
389.07272	11.9
389.12061	0.8
414.34369	0.5
569.11444	14.9
570.12311	1.4
953.53552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	13.8
71.51300	16.6
75.54198	13.3
78.95898	11.9
79.95727	19.6
80.76358	9.5
80.96518	24.0
85.02984	11.1
96.95995	40.4
116.92817	44.6
134.89494	100.0
134.97771	10.5
135.80852	10.9
135.89471	22.8
136.89172	32.5
171.10271	11.9
249.01195	10.6
309.20731	13.5
364.39218	11.9
920.49774	47.3
921.45667	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	920.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99256	49.4
65.79501	6.8
69.91306	28.7
79.95731	15.9
80.96516	26.3
84.96136	6.9
96.96016	14.0
98.19960	7.1
108.30991	6.2
116.92846	17.4
117.24537	7.0
123.20716	5.6
126.90515	100.0
209.02107	6.9
214.68196	6.6
225.00848	10.8
259.15527	8.7
361.85486	6.3
555.59796	6.6
572.78949	6.9
598.29987	6.7
754.57562	6.9
799.35052	8.8
920.50507	14.5
921.43677	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	918.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26212	16.4
70.26570	32.3
71.01387	22.2
73.02946	10.5
79.95770	11.9
80.96514	61.4
90.52437	8.9
94.98153	14.4
99.92574	15.5
116.92863	100.0
117.92850	10.2
130.84467	9.3
131.05794	8.9
134.89505	9.0
158.89769	9.8
171.10292	21.2
225.00671	11.8
229.81180	9.1
253.09248	13.7
291.19449	10.2
292.20129	10.4
309.20654	14.6
327.21689	16.1
342.23859	10.7
397.13077	13.5
608.57141	9.4
801.36505	11.8
895.88434	12.6
918.46826	29.6
919.47235	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01327	18.3
78.08327	16.5
78.95900	19.0
80.96505	52.6
87.49250	16.5
96.95995	58.8
98.20821	14.3
105.91314	16.8
116.92845	19.7
126.90520	100.0
197.11868	19.6
198.12106	22.4
277.21683	20.6
278.22171	22.2
279.22058	17.4
287.16098	18.7
289.18008	29.1
293.21268	37.7
294.21082	20.1
339.80377	16.7
451.76837	22.2
491.18658	16.9
634.21295	17.1
648.66187	17.5
898.71484	22.6
918.48676	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99250	8.4
64.01644	6.0
65.14786	6.9
67.41599	6.7
71.01374	10.1
76.15135	7.7
78.91848	8.4
78.95878	6.4
79.95728	48.0
80.96520	35.7
85.02949	10.3
96.96024	93.4
98.19789	16.1
109.71301	6.7
116.92860	32.5
117.92803	10.5
126.90488	15.5
167.53786	7.2
171.10291	15.8
198.73891	7.0
198.96524	7.4
209.11732	8.8
220.60684	8.0
229.74031	8.6
241.14413	15.1
244.93324	6.8
254.38457	7.6
287.16467	8.5
289.18198	9.5
293.21262	8.2
305.17572	15.3
420.63525	8.3
430.17761	9.0
443.28311	8.5
479.29602	7.5
516.21887	7.3
635.10529	8.2
642.29993	8.4
918.46014	100.0
919.47314	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04723	5.0
65.91943	6.0
66.99259	5.1
71.01383	12.4
78.56697	5.1
78.95898	26.9
79.95755	9.9
80.96528	25.9
82.27166	5.8
89.02413	13.8
96.96034	11.4
101.02446	15.4
110.98515	12.6
113.02476	7.2
116.92853	18.1
223.13405	77.2
225.00771	7.0
277.21722	45.6
291.19485	6.1
379.12610	10.8
397.13388	45.5
603.26331	19.3
621.27734	12.6
675.36328	8.9
881.48981	26.8
910.99719	8.9
917.47723	100.0
918.47107	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	917.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96234	2.0
71.01374	10.9
72.99301	1.3
73.02945	2.1
76.11753	0.9
78.95901	4.2
78.98584	7.5
79.95734	23.5
80.67062	0.8
80.96518	81.1
81.03436	1.6
83.01399	1.6
83.05020	1.4
85.02961	4.7
87.00889	5.3
89.02453	2.6
94.98083	19.0
96.96012	3.1
97.02939	2.7
97.06587	2.2
99.92569	2.0
101.02425	4.7
106.98076	2.8
109.02975	0.9
113.02440	1.8
116.92860	17.8
117.92868	1.2
122.97559	3.7
125.02430	3.7
125.09704	3.1
126.90495	1.6
134.97554	5.8
136.99113	2.5
148.99121	8.5
152.98647	7.8
161.04572	1.7
163.11382	1.2
164.98616	13.9
165.12856	1.1
169.46548	0.9
171.10289	7.5
185.11737	1.1
191.10767	1.5
193.12248	2.5
197.11771	1.7
199.13696	1.0
206.99655	3.8
209.11800	7.5
211.13393	3.8
223.13242	1.2
225.00725	25.3
225.14937	3.1
226.12120	2.0
235.08139	3.0
239.12906	1.1
241.14439	17.6
243.15919	1.3
253.09285	7.9
283.04886	3.4
289.18198	1.6
291.19650	2.5
293.20920	1.4
307.19012	1.2
309.20776	2.4
321.20676	3.3
323.22287	1.8
341.23291	28.9
342.23599	1.2
355.24826	2.1
391.05765	1.0
415.09357	1.0
482.52588	1.0
571.86633	1.0
591.24689	1.5
607.24152	1.2
917.45721	100.0
918.45782	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	916.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99236	36.6
71.21101	27.8
71.21461	27.6
79.95735	31.7
80.91688	25.9
80.96510	78.7
94.98099	23.4
116.92863	40.4
177.05592	24.8
225.00764	38.1
225.55376	18.6
289.17844	20.8
353.59213	19.5
397.13608	19.3
796.56226	19.1
916.47162	26.4
917.47888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26536	66.5
76.33489	19.2
78.16762	21.0
79.73367	20.5
79.95734	43.0
80.96480	100.0
96.96011	51.4
106.75948	22.2
116.92869	39.4
133.75070	20.5
171.10222	29.7
309.20856	34.1
341.23303	47.3
355.24887	72.4
356.24954	38.3
384.24780	20.5
391.01166	30.8
601.99060	25.2
626.48639	22.7
916.44501	93.0
917.46027	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99262	15.3
71.01392	12.2
78.91860	17.8
79.95721	35.1
80.96518	100.0
87.00874	14.4
89.88252	12.8
96.95995	46.2
98.19851	28.3
116.92861	57.7
126.90488	15.7
136.89294	12.1
148.61874	12.6
157.42702	11.7
160.08867	11.0
165.82858	11.9
171.10226	12.0
209.11809	20.4
225.00696	20.4
253.09215	16.4
265.14627	18.9
280.81586	13.8
293.21179	21.4
341.23309	20.3
481.81116	15.7
658.33398	16.4
916.48193	41.2
917.48029	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	916.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84038	24.2
65.72661	23.7
70.81789	29.6
70.82159	63.6
80.53541	27.9
80.96503	44.0
110.36684	28.9
116.92866	96.6
119.49654	30.2
126.90528	89.6
129.74530	28.4
181.74995	25.5
289.76694	26.3
309.20569	62.6
339.79260	32.7
341.23151	33.0
917.46271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81980	15.2
71.01405	15.4
71.21821	21.4
79.95751	14.1
80.96511	72.0
93.78030	13.7
94.98084	12.5
96.96040	23.5
98.20467	22.4
98.27415	14.4
101.02444	23.2
116.92878	82.3
126.90481	40.7
133.34431	14.1
134.89471	32.4
164.98691	17.4
171.10246	20.3
197.11867	18.4
207.14026	13.6
209.11783	24.2
253.09198	25.2
291.19745	25.6
293.21075	20.3
309.20645	38.2
310.21213	17.9
327.21771	20.7
335.07690	14.7
341.23209	34.3
355.24780	17.6
783.96851	19.1
916.45288	39.8
917.46204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99253	11.4
67.60406	10.0
71.01387	13.2
79.95736	58.5
80.96526	73.0
84.22589	10.9
84.92474	10.2
86.04740	11.2
87.00868	9.6
94.98073	15.5
96.96023	34.8
98.19804	25.3
98.20509	63.8
116.92864	48.5
118.73012	8.9
126.90486	37.8
164.98672	11.8
179.52129	10.0
209.11964	14.0
225.00818	20.4
229.37248	10.6
277.07803	11.3
277.21664	12.2
341.23215	13.1
355.24890	13.8
376.54453	9.8
650.36108	11.2
747.62610	10.0
916.45160	26.3
917.48846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82269	34.6
70.96680	36.7
73.44942	35.7
82.77276	31.3
83.64090	30.9
88.98872	42.0
98.19885	100.0
116.92809	87.9
119.74522	36.1
123.40101	47.6
157.23421	37.3
183.20230	38.2
303.98410	33.1
524.68781	41.1
759.86517	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99532	5.5
80.96520	8.0
88.19355	5.5
88.98807	100.0
89.02439	10.3
98.19841	12.0
112.46986	6.0
116.92841	10.9
197.11884	8.9
212.90265	5.2
245.33635	5.7
250.44772	5.3
277.21494	18.2
278.21866	5.6
355.14160	5.8
638.24744	6.4
846.21198	6.2
915.47095	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	915.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.3
67.05653	0.1
69.24522	1.2
75.73178	0.1
80.15223	0.2
83.01354	0.2
96.83681	0.1
98.19933	0.3
107.01355	0.9
108.02155	0.3
109.02950	0.3
121.02945	0.3
124.01617	0.2
125.02383	0.2
135.00890	0.3
148.01599	0.2
149.02435	0.2
151.00363	4.2
153.01921	0.2
163.00346	1.2
163.03964	0.2
174.03210	0.2
178.99850	2.3
187.03909	0.2
188.04753	0.3
189.01758	0.2
190.02678	0.3
190.99886	0.2
198.03125	0.2
199.04042	0.4
211.03975	0.2
215.03436	0.3
216.04163	0.4
221.00935	0.2
226.02707	3.4
227.03439	1.1
228.04172	0.2
229.04958	0.2
243.02969	7.9
244.03554	0.5
253.99660	0.3
254.02194	3.6
255.02959	5.5
256.03372	0.2
269.07278	0.1
271.02457	36.5
272.02963	2.8
273.03937	0.2
283.02576	0.3
300.02728	51.2
301.03445	14.2
302.03864	0.5
307.41660	0.2
343.04559	0.6
463.08786	100.0
464.09097	7.4
464.15784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28757	25.1
70.57559	100.0
71.01364	40.2
72.99339	34.8
78.95939	25.1
79.95748	33.1
80.96507	60.0
95.83820	30.9
96.96018	80.6
116.92868	61.5
124.11333	26.2
152.99576	29.6
223.43941	29.3
356.23523	41.2
406.45889	31.8
481.25009	47.8
488.26425	33.5
915.47742	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65875	8.3
71.01383	28.2
82.54279	4.5
85.02926	10.3
87.00922	5.4
89.02431	21.3
95.77935	4.9
96.96002	5.5
97.02946	4.9
99.92608	8.4
101.02448	16.2
113.02429	10.5
116.92860	43.9
126.02702	5.4
126.90514	10.1
134.89430	6.7
136.95976	4.6
153.09218	6.1
165.12761	6.3
167.10771	6.8
171.10294	10.9
194.31342	5.6
195.13930	8.3
197.11810	15.3
200.86357	4.9
205.12245	6.6
209.11778	16.3
211.13449	12.0
223.13380	80.3
224.13789	30.6
229.14122	5.8
235.08333	7.1
253.09106	7.1
277.04248	5.2
291.19620	78.4
292.19983	38.8
307.19156	11.9
309.20688	100.0
310.21054	52.5
327.21741	14.3
339.58633	7.2
397.13461	39.5
398.13730	17.9
415.14209	11.1
416.15045	9.6
454.12537	6.3
621.27393	6.7
657.51111	5.6
818.45355	5.6
915.44989	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	912.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98801	100.0
94.11189	17.0
98.20673	38.1
116.92849	47.3
179.81371	16.4
208.60954	16.1
209.11719	20.2
218.15308	18.0
240.85832	15.8
246.44849	15.3
247.98767	18.9
248.19643	17.7
250.33562	14.6
274.14993	14.9
277.21716	20.0
277.56152	15.9
288.32083	20.3
442.06030	16.8
455.36304	16.9
607.11230	19.6
632.12854	18.8
692.45392	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	914.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	19.3
80.96481	21.3
89.02396	19.5
98.19840	35.0
98.20523	100.0
116.92871	18.0
119.80619	15.6
126.90477	49.3
130.15192	14.2
148.63708	14.3
155.62616	12.9
159.15976	14.4
209.11813	80.3
229.48961	16.8
251.28046	14.9
267.82184	17.0
273.39459	15.4
291.19702	19.9
307.22708	34.7
309.20523	21.6
355.24866	18.7
397.13647	30.4
413.57114	16.9
503.39279	15.5
585.21014	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	911.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	9.8
83.05038	4.5
85.02977	3.9
87.00881	4.1
88.00405	4.1
88.98806	100.0
89.02460	15.5
95.05019	2.0
101.02448	8.4
107.06603	1.5
113.02458	3.2
116.92846	2.7
119.03446	1.7
125.09702	2.7
127.07671	4.0
135.08145	2.5
139.07628	2.0
153.09175	12.1
161.04562	3.7
163.11284	3.5
165.12840	3.8
171.10263	15.6
178.09978	3.3
179.14378	3.5
181.12346	2.2
185.11845	4.3
191.10803	2.0
193.93669	1.6
197.11803	11.0
205.15939	2.4
209.11827	45.2
219.13991	2.6
223.13435	12.4
235.08287	3.1
236.10512	1.8
238.12189	2.1
253.09305	12.4
268.96463	1.8
273.18744	2.0
275.20135	23.0
277.21677	2.6
285.47141	1.8
287.43869	1.7
289.18036	14.2
291.19611	18.2
292.19916	2.0
307.19128	59.3
307.22781	43.0
307.26135	2.8
308.19437	3.4
308.22879	3.1
309.20670	23.0
323.22308	23.8
325.20169	22.0
397.13571	3.7
443.00473	1.7
477.04947	1.8
499.83456	1.6
525.27081	6.1
543.28119	23.3
556.76288	1.7
561.29340	3.9
740.47510	2.0
764.43506	3.8
833.50616	27.2
834.51208	5.7
851.51691	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	909.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	1.0
71.01389	7.8
71.01723	0.6
71.05041	0.9
73.02961	1.2
74.62599	0.5
80.02702	0.7
83.01420	1.2
83.05060	1.8
84.02203	0.6
85.02946	2.6
87.00909	2.1
89.02431	3.2
95.01424	1.0
95.05046	1.1
97.03004	1.5
97.06632	0.9
99.00900	0.8
101.02445	8.2
101.03008	0.6
111.08176	2.7
113.02464	3.2
113.09743	0.7
115.07641	1.2
116.92866	2.7
119.03537	1.0
123.04559	0.6
123.08151	0.6
125.02469	0.5
125.06181	0.6
125.09769	1.9
127.07671	2.4
135.08145	1.0
137.09752	0.9
137.94987	0.6
139.07654	0.6
141.09282	1.1
143.03491	0.9
145.05063	1.3
151.11290	0.8
153.09209	7.0
153.12822	0.9
155.10820	0.7
161.04567	3.0
163.11279	3.0
165.09227	0.6
165.12845	4.9
167.10809	0.9
167.14427	1.0
169.12416	0.8
171.10262	7.6
177.12903	0.8
178.10051	0.7
179.05646	1.1
179.14439	2.1
181.12303	2.8
182.33028	0.5
183.13824	0.8
185.11841	2.2
190.18124	0.5
191.10828	0.7
191.14384	1.0
193.12360	0.6
193.15947	1.4
195.13907	9.8
196.14612	0.6
197.11845	8.8
199.13388	1.0
207.10193	1.0
209.11826	21.1
210.12189	1.1
211.13335	3.7
221.11717	0.6
221.15489	0.8
223.13376	6.0
229.54109	0.8
235.08218	5.7
238.12120	0.6
245.19098	1.5
247.20679	4.8
253.09273	22.3
256.13278	0.9
263.20093	1.2
265.21817	0.7
273.18570	2.2
275.20160	5.4
281.13174	0.6
281.21109	1.0
289.18155	7.9
291.19656	52.2
292.19879	3.7
293.21222	84.3
294.21603	5.6
297.20502	0.8
307.19147	32.8
308.19443	2.4
309.20700	100.0
310.21008	7.9
311.22125	0.7
325.20163	12.4
326.20459	0.8
327.21762	1.6
381.23584	0.6
525.27130	2.5
527.28394	1.6
529.30212	2.7
543.28229	4.5
544.27765	0.8
545.29681	9.0
546.29950	0.9
561.28644	1.2
651.16986	0.7
712.92108	0.6
750.41986	4.2
751.41675	0.7
768.43011	0.9
819.49054	15.7
820.49701	3.0
837.50122	7.1
838.49847	1.7
873.47339	0.8
909.44702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	0.5
69.29765	2.4
71.01385	3.6
71.05043	0.4
72.99313	0.4
73.02978	0.8
81.03502	0.4
83.01405	0.3
83.05052	0.5
83.74760	0.3
85.02965	1.0
87.00903	0.9
89.02441	2.1
92.17241	0.3
95.01398	0.4
95.05050	0.6
97.02913	0.3
97.06616	0.6
98.20253	1.2
99.92579	0.4
101.02441	3.0
101.89694	0.3
102.15809	0.3
109.06611	0.4
111.08147	2.0
113.02458	1.4
116.92848	2.5
117.92889	0.8
118.92709	0.5
119.03490	0.6
121.28371	0.3
123.08183	0.5
125.09747	0.9
126.90508	1.4
127.07683	0.5
127.11282	0.7
134.89493	0.4
141.09229	0.3
145.05032	0.3
151.11272	0.6
153.12848	2.1
155.10796	0.8
161.04543	1.4
163.11292	1.5
165.12813	3.2
167.10774	0.8
167.14444	0.4
169.12369	0.7
171.10291	1.0
179.05592	0.5
179.10695	0.4
179.14412	1.8
181.12329	2.7
183.13934	0.5
185.11835	0.4
193.15979	1.3
196.80025	0.3
197.11823	5.5
198.12172	0.4
199.13452	1.0
207.13857	1.1
209.11803	1.8
211.13367	1.7
215.12794	0.5
223.13348	0.9
226.12131	0.4
227.12892	0.9
231.17690	0.3
235.08232	2.7
241.14415	0.5
247.20679	4.7
248.20996	0.4
248.25189	0.3
253.09279	7.7
263.20175	0.8
265.21603	0.4
273.18600	3.0
281.21161	0.6
289.18201	0.6
291.19653	51.9
292.19965	3.9
293.21014	1.7
294.21490	0.3
305.17712	0.5
306.75204	0.3
307.18988	0.7
309.20694	100.0
310.21054	7.5
311.22122	0.8
327.21518	0.7
462.46487	0.3
463.22150	0.3
527.28668	2.4
540.12860	0.3
545.29633	12.4
546.29889	1.4
641.00568	0.3
819.48401	1.3
837.50195	3.2
838.49982	0.7
873.47131	2.3
874.47650	0.4
909.44788	1.9
933.40234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52104	0.7
69.03457	1.1
71.01382	10.1
71.05031	1.4
72.99313	0.8
73.02941	1.9
75.86278	0.6
79.77813	0.6
80.02644	1.1
80.52634	0.7
81.03448	1.4
83.01380	1.3
83.05037	3.4
83.27646	0.6
84.02151	1.1
85.02946	3.0
86.08932	0.7
87.00869	1.1
88.19115	0.6
89.02437	5.3
95.05013	1.9
97.02948	1.5
97.06584	1.8
99.00846	0.9
99.04505	1.0
99.08160	0.9
101.02441	7.6
109.06564	0.8
111.08164	0.8
112.05318	0.8
113.02439	4.2
115.07607	1.3
116.92810	1.7
119.03489	1.8
123.04499	1.7
123.08139	1.7
125.06050	1.3
125.08869	0.7
125.09694	4.6
127.07641	2.6
127.11261	0.9
135.08157	2.1
137.09666	0.7
141.09219	0.8
141.12878	0.8
143.03513	0.8
145.05092	1.0
153.09213	10.1
153.12822	1.0
161.04587	3.1
161.09682	0.7
163.11288	4.2
165.12825	8.1
167.10757	0.6
171.10268	17.4
177.12703	0.8
178.09987	2.7
179.05565	1.4
179.10733	1.2
179.14384	2.8
181.12326	2.5
183.13947	0.9
185.11827	6.0
191.10773	2.4
191.14397	1.6
193.15936	2.1
195.13893	7.0
196.14644	0.9
197.11827	9.4
205.12253	0.8
207.10225	1.2
209.11821	48.0
210.12212	1.4
211.13379	2.4
223.13353	6.8
235.08189	4.7
236.10593	1.2
238.12073	2.2
245.19026	3.2
247.20662	6.3
253.09247	23.9
256.13263	1.2
263.20169	1.3
271.17087	0.9
273.18622	3.1
275.20175	5.1
276.20261	0.8
279.19644	1.9
289.18085	14.2
290.18402	1.4
291.19653	67.8
292.20053	4.0
293.21216	76.2
294.21518	3.8
297.20746	0.8
307.19141	68.8
308.19495	3.6
309.20694	100.0
310.21030	6.3
325.20187	21.4
326.20578	1.2
327.21655	1.1
356.19955	0.7
374.61768	0.7
407.19022	1.5
463.25085	0.7
474.21307	0.9
525.26984	4.8
527.28882	1.8
529.29791	0.7
543.28094	25.7
544.28485	2.6
545.29626	2.3
561.29144	3.8
673.46545	0.7
750.41797	7.1
751.42218	1.5
768.43549	1.2
819.48987	25.6
820.49646	5.9
837.49841	6.7
838.50702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.3
71.41973	3.4
73.02947	2.7
79.24168	1.8
83.05010	2.7
85.02938	7.0
87.00871	2.4
88.17059	1.9
88.98797	18.7
89.02441	4.7
95.90047	1.9
96.96008	2.8
99.92560	3.7
101.02441	4.5
116.92860	23.9
117.92879	2.9
125.05201	1.7
126.90482	3.0
134.89449	3.2
137.09721	2.3
153.09180	3.5
163.11258	2.6
171.10243	24.7
176.46983	1.9
185.11823	4.9
197.11874	4.1
209.11812	30.7
210.12151	4.0
211.13402	6.2
229.14384	5.7
235.08290	9.2
239.12753	3.5
245.19136	1.9
253.09293	22.3
277.24039	1.9
288.99857	2.2
289.18213	8.6
297.21039	2.2
307.19165	62.8
308.19412	5.1
309.20584	5.0
325.20190	37.7
326.20673	2.2
327.21750	100.0
328.22073	5.2
407.19257	2.2
483.08185	2.0
525.28186	2.2
543.27979	33.7
544.28687	2.8
545.29742	3.0
561.29053	6.5
563.30859	16.6
784.42627	9.8
853.49597	80.2
854.49652	15.0
871.50702	27.1
872.51440	5.5
907.48236	92.9
908.48798	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	907.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43372	1.0
69.43774	3.3
71.01418	2.2
71.01767	0.5
72.99303	0.7
73.02952	0.5
75.00873	0.5
83.01385	3.9
84.02149	1.2
85.02951	100.0
86.03294	2.0
87.00897	0.8
89.00311	2.1
91.01905	0.6
93.95161	0.4
95.01435	0.4
99.00890	0.5
99.88543	0.5
101.02445	0.5
104.69817	0.4
106.00610	1.4
111.00880	11.1
119.05050	0.6
121.02959	18.0
122.03248	0.6
123.00893	2.1
127.00356	0.7
129.01944	59.2
130.02283	1.4
136.98778	0.7
138.03246	2.5
139.00372	2.5
139.03952	1.1
147.02991	6.9
153.05569	13.3
163.03996	1.1
166.99847	1.0
173.00905	18.2
177.84732	0.4
182.02196	5.7
191.01990	6.2
197.04544	38.3
198.04897	1.3
209.03038	3.0
211.06091	0.7
218.56111	0.5
222.05281	1.6
237.07703	1.6
265.07184	7.8
266.07593	0.6
293.45959	0.5
309.06113	1.3
327.07208	15.0
328.07809	0.9
353.05283	0.9
371.06186	24.7
372.06454	1.3
372.41138	0.5
389.07205	10.5
461.29468	0.6
569.11328	9.4
570.11646	1.3
630.88593	0.7
777.16583	0.5
822.88861	0.5
857.54211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	17.4
71.08914	9.7
75.00845	5.9
83.01401	5.6
85.02953	8.4
88.98786	14.9
89.02434	6.9
93.36836	4.8
99.92579	10.5
101.02423	11.3
109.06509	5.6
112.77340	4.8
115.92035	5.0
116.92098	7.9
116.92860	100.0
117.92875	8.3
126.90487	7.1
134.89496	25.2
136.89163	16.5
154.71106	6.8
163.11325	8.8
171.10262	35.2
197.11761	29.3
199.13367	11.5
209.11827	61.6
211.13371	13.2
227.12856	24.5
229.14436	28.3
235.08224	15.0
237.36032	5.1
241.14351	10.9
247.13301	5.8
253.09233	37.3
287.16495	7.5
289.18073	26.3
291.19553	7.7
305.17545	42.6
307.19159	85.3
308.19382	5.9
309.20605	19.1
319.98853	5.4
325.20105	36.1
327.21756	87.6
343.24655	6.3
433.20886	5.4
525.27130	11.6
541.26782	8.6
543.28137	32.1
638.21930	5.5
679.37189	6.4
723.40234	23.3
735.39349	20.7
738.69067	5.4
741.40466	11.2
753.40936	32.5
764.39380	6.6
771.41510	15.6
833.47052	20.8
851.49017	26.7
852.49646	8.2
905.46930	28.5
906.46509	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	904.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23063	15.0
63.99257	16.1
70.77505	40.4
70.83901	13.3
73.03156	15.6
80.96504	31.3
96.96024	100.0
117.51640	15.0
127.11002	15.0
135.65553	15.5
149.85652	15.8
200.85176	15.7
231.14134	21.8
266.43552	16.2
510.56696	17.2
623.49127	15.4
904.48584	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	904.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.25356	73.1
71.25686	100.0
80.96511	76.9
84.00916	82.3
84.42981	64.7
138.10199	70.8
164.24361	67.2
308.29279	80.8
308.33963	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03490	2.0
69.88818	2.0
71.01391	11.8
73.02951	2.6
75.00885	2.7
83.04983	4.2
85.02937	5.6
87.00871	2.7
88.98793	5.2
89.02444	7.6
95.04982	2.9
96.95998	2.1
97.06599	2.1
98.19770	1.8
99.92569	7.2
101.02434	9.5
103.00388	2.6
109.06580	2.2
110.12618	1.8
112.36484	1.9
113.02451	5.8
113.06021	2.0
115.07580	2.6
116.92870	35.0
117.92854	2.4
119.03461	2.6
124.50790	2.1
125.09710	5.4
127.07646	5.5
134.89481	25.1
135.08189	3.2
135.89447	8.2
136.89172	64.5
137.89160	2.7
139.07684	2.8
143.07155	2.7
145.05054	2.7
151.07637	2.9
153.09207	8.7
153.12823	3.8
155.10803	2.9
161.04582	2.7
163.11324	4.0
165.12840	3.1
169.12303	3.1
171.10269	21.0
178.09947	2.0
178.50841	2.4
181.12427	4.2
183.13824	2.2
185.11787	5.5
197.11801	32.4
197.56197	2.1
198.12212	2.6
199.13441	11.7
201.11244	2.3
203.48775	1.9
209.11827	52.5
210.12166	2.8
211.13326	2.7
215.12775	6.1
227.10773	2.6
227.12886	32.7
229.14394	26.1
235.08252	11.3
245.19049	7.0
253.09282	25.0
261.86053	2.2
287.16406	9.5
289.18106	30.3
291.19504	6.6
297.20593	6.4
305.17569	33.3
307.19125	100.0
308.19458	6.2
309.20596	11.1
323.18518	5.3
325.20209	33.2
327.21780	25.5
328.21805	2.1
427.62122	2.4
431.13821	2.2
433.20856	7.6
463.21524	7.5
467.72906	2.4
523.25287	2.3
525.26813	6.5
541.26428	4.2
543.28119	37.6
544.28723	4.2
561.28876	7.1
679.36755	7.0
697.38611	2.8
717.37891	2.5
723.39716	19.1
724.39423	3.1
735.39734	18.0
736.39905	3.7
741.39825	9.3
753.40717	39.2
754.41431	8.7
755.42303	7.2
764.39197	3.8
771.41425	26.5
772.40796	4.4
815.45624	3.6
833.46869	26.9
834.46838	4.9
851.47552	25.4
852.48315	3.7
869.49127	5.0
905.46881	29.6
906.47113	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	904.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98532	25.1
69.80275	23.8
71.51550	21.6
78.91853	38.9
80.91695	32.0
96.96006	100.0
150.48273	24.0
163.33762	26.0
377.01974	31.6
390.43393	28.0
814.05084	30.2
904.48938	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62952	2.2
68.99819	5.8
71.01031	3.0
71.01374	16.7
73.02972	3.0
79.95718	6.4
80.02666	2.1
80.96519	11.3
83.05014	3.0
85.02951	8.3
87.00871	4.3
89.02432	6.4
93.03474	2.5
94.98090	3.5
95.05003	3.3
96.96069	2.5
97.02966	3.1
97.06577	5.2
99.00897	4.1
99.92635	2.4
100.01637	2.4
101.02444	12.2
104.20588	2.7
107.05019	11.5
109.06593	3.4
111.08131	4.8
113.02454	8.4
116.15612	2.2
116.92849	21.7
123.08179	5.1
125.02384	2.7
125.06080	15.0
125.09707	11.0
126.90509	3.8
127.07678	6.8
127.11263	3.5
134.89433	3.6
135.08179	4.1
137.02463	2.9
137.09673	3.9
139.07640	15.6
139.11259	2.4
141.09196	4.7
144.55637	2.5
145.04985	2.7
151.07649	47.2
153.08112	2.6
153.09152	14.9
161.04498	3.9
163.11287	7.0
165.12862	3.4
169.08693	29.8
171.10262	100.0
172.10597	4.4
185.11819	12.0
187.05289	9.1
187.09772	2.2
191.10806	4.2
191.14412	3.8
191.73326	2.5
197.11795	12.1
199.09743	10.4
201.11319	74.0
207.10289	4.2
209.11839	42.4
210.12181	4.1
213.11201	4.3
215.12817	5.3
225.00768	4.1
225.11295	6.7
227.12827	3.0
235.08202	10.9
245.19038	10.8
253.09279	36.3
261.18549	5.2
271.16998	2.6
277.18048	4.6
279.19574	4.9
287.16489	9.3
289.18073	49.0
290.18292	2.8
291.19626	5.2
295.19247	2.4
305.17560	35.6
306.17828	4.3
307.19159	98.0
308.19376	5.9
309.20648	7.9
323.18555	7.2
325.20117	28.2
407.19006	3.4
407.51636	2.7
437.20169	6.0
484.46124	3.5
525.27002	6.9
541.26147	12.4
543.27930	23.8
559.27490	4.9
561.28906	4.5
628.30957	5.8
697.37787	14.3
709.38300	3.2
715.39496	4.7
727.39166	8.9
780.37927	3.3
831.45374	12.5
849.46423	17.5
850.46765	5.1
867.47662	11.6
903.46545	41.3
904.47266	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	902.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	27.0
71.01381	32.4
71.05045	16.1
74.42958	15.0
79.95747	18.4
80.96513	39.7
83.04973	17.7
83.28818	15.8
89.02439	20.7
94.98109	19.9
99.00839	18.4
99.92594	16.2
101.02441	25.1
116.92850	84.2
117.92861	23.3
123.41316	14.0
134.89470	55.3
136.89236	23.9
171.10248	51.8
185.11823	14.8
197.11772	21.0
201.11299	39.8
207.10249	21.0
209.11876	100.0
210.12067	16.6
211.13426	13.2
227.12933	23.4
229.46306	14.9
235.08144	22.8
238.36278	13.9
238.55302	14.0
247.36133	12.4
253.09348	44.8
289.18045	48.6
291.19635	28.0
293.21155	30.8
294.21436	18.4
305.17548	62.5
306.17914	18.2
307.19125	85.4
309.20447	27.5
310.21021	21.2
310.65063	13.7
325.20041	21.9
327.21838	21.3
349.93152	16.1
380.76398	13.5
695.37646	15.8
902.46100	57.5
903.47369	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98519	68.2
70.05793	100.0
80.96486	61.1
92.37769	26.5
362.44427	26.8
392.90518	26.3
691.36664	30.7
734.48376	32.9
773.82190	32.1
799.41327	35.4
902.48962	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	902.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98516	40.7
69.78575	81.8
79.95712	24.6
80.96507	100.0
91.81451	18.0
95.59033	18.5
98.20673	17.7
103.68037	18.5
116.92857	21.2
141.17812	18.0
240.10136	23.7
307.19064	20.5
703.40228	22.7
726.25238	22.0
743.45923	22.6
762.14478	22.4
902.49646	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	25.1
66.59400	25.9
70.64394	50.1
79.95722	29.1
80.96539	86.6
99.99128	25.6
130.85393	28.9
151.34222	25.4
157.25691	26.6
163.91490	25.6
292.51550	30.8
765.18188	29.2
902.50610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.2
71.01383	21.6
71.05054	1.0
71.51825	1.5
71.52198	1.1
72.99295	2.2
73.02946	4.6
80.02689	1.8
81.03453	1.7
83.01371	3.6
83.05010	6.5
84.02168	2.7
85.02957	7.4
87.00874	3.8
88.98795	1.5
89.02441	11.7
95.01378	1.8
95.05012	5.0
96.96009	3.3
97.02953	3.4
97.06586	7.4
97.11765	0.9
99.00858	4.4
99.04526	1.2
99.92576	1.0
101.02448	13.6
107.05009	5.1
109.06567	2.5
111.00851	1.2
111.04480	1.0
111.08134	2.7
113.02452	9.2
116.92865	19.3
117.92855	1.0
119.03511	2.5
123.04527	1.8
123.08157	1.7
125.02445	3.1
125.06083	11.1
125.09748	7.6
126.90533	1.1
127.07666	1.5
127.11316	5.0
131.03426	1.6
133.06491	1.2
135.08185	1.8
139.04062	0.9
139.07648	10.1
141.01935	1.1
141.09200	3.0
143.03473	2.2
145.04984	1.0
149.09726	0.9
151.07610	3.4
153.09224	3.2
153.12753	1.1
154.95230	1.3
155.07051	1.1
155.10768	3.7
161.04556	5.4
163.11270	6.0
165.09123	1.0
165.12842	3.6
167.10742	1.6
169.08698	11.1
169.12334	1.3
171.10265	37.8
172.10605	1.8
179.05591	3.7
181.12364	3.0
183.10298	1.6
183.13864	1.5
185.08200	1.7
185.11795	4.4
187.09784	0.9
191.10782	2.9
193.12334	2.7
195.13927	7.5
197.11809	6.6
199.09753	2.3
199.13416	3.5
201.11314	63.7
202.11557	1.8
207.10283	4.0
209.11819	100.0
210.12172	3.8
211.13365	6.8
213.11282	2.7
217.12366	1.2
221.06738	1.3
221.11818	2.0
223.13383	4.3
225.11339	5.5
225.14897	4.8
227.12866	12.5
229.14455	1.3
235.08258	7.4
239.12828	1.2
241.14397	3.1
253.09261	27.5
253.14297	0.9
275.20187	4.1
277.18079	1.5
279.19540	1.5
287.16547	4.2
289.18091	2.1
291.19702	2.0
293.21231	82.3
294.21518	5.8
305.08917	1.4
305.17569	18.4
307.19232	7.5
309.20645	4.5
323.10049	1.1
323.18561	3.6
323.22244	1.7
325.20316	2.0
327.21707	9.6
341.23312	42.6
342.23688	3.1
355.24973	6.1
379.12503	3.0
395.55692	1.1
397.13492	27.3
407.19394	1.2
415.14563	10.3
434.14362	1.1
437.20218	2.4
514.56470	0.9
541.26392	4.2
543.28546	1.3
577.32281	2.7
665.07086	1.1
691.35803	1.9
725.37701	2.5
865.48267	1.3
901.46216	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	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.8
71.01380	14.9
72.99326	1.1
73.02951	2.7
80.02664	1.6
80.96510	1.5
81.03449	2.3
82.65809	0.9
83.01381	1.8
83.05022	6.5
84.02156	1.2
84.40415	0.9
85.02950	2.9
87.00877	2.9
88.98830	0.9
89.02441	11.0
95.01402	1.2
95.05016	1.1
96.96000	2.5
97.02968	2.4
97.06584	1.8
98.20271	8.3
99.00869	1.4
99.92598	1.9
101.02444	10.1
111.08153	1.4
112.10196	0.8
113.02435	7.5
114.93434	2.9
116.92844	10.7
119.03497	3.4
125.02422	3.2
125.06108	1.7
126.90479	1.3
134.89433	1.2
135.08189	1.6
143.03464	2.2
161.04581	2.2
163.11281	4.7
165.12869	2.5
169.08780	0.9
171.10258	3.9
176.45486	0.9
179.05617	2.8
181.12325	1.9
191.10675	2.3
195.13889	6.0
197.11806	1.9
199.13313	0.8
201.11337	2.2
209.11812	100.0
210.12172	4.3
211.13461	2.1
213.11253	1.2
221.06732	1.2
223.13414	5.1
225.11250	1.2
225.14705	1.0
227.12875	10.0
228.13298	1.0
229.14182	0.9
235.08220	4.9
241.14352	1.8
253.09363	4.4
275.20105	4.0
287.07526	1.1
291.19681	1.4
293.21210	95.2
294.21500	7.2
305.08823	1.8
309.20789	1.9
323.34134	0.9
327.21823	1.8
341.23264	16.7
355.24753	1.7
379.12433	4.0
397.13477	36.2
398.13892	2.1
415.14569	11.8
607.26172	4.8
691.35193	1.5
883.47876	1.3
901.45941	1.5
905.13629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98544	2.5
63.99249	4.8
71.01376	9.9
73.02949	4.0
78.98580	3.1
79.95724	4.7
80.38508	2.1
80.96516	29.5
85.02957	3.7
87.00872	4.3
89.02419	4.1
94.98062	3.7
96.96022	2.7
97.02969	3.4
97.06577	5.2
98.20666	6.5
99.00871	3.1
99.92582	9.7
101.02441	9.5
105.71915	2.0
106.98073	2.5
111.08107	2.3
113.02439	4.7
114.93406	5.9
116.92857	100.0
117.01958	5.0
117.92874	6.6
125.09701	6.5
126.90488	17.7
139.07628	8.5
151.07649	6.1
163.11223	4.3
164.98639	4.2
171.10284	11.1
177.05598	11.9
181.12321	3.2
187.09720	2.8
197.11839	6.5
198.12151	4.4
199.09767	12.9
207.10176	6.8
209.11816	7.4
225.00723	8.6
225.11406	5.0
225.65910	2.2
235.08160	3.5
240.61920	2.2
241.14444	5.3
241.55524	2.2
245.19121	4.8
253.09187	6.1
277.17706	2.7
277.21710	6.1
289.18015	13.8
293.21277	7.4
303.15961	8.9
305.17484	4.9
307.19189	18.9
309.20663	5.1
321.16977	6.3
397.13501	4.0
557.25922	7.3
707.36615	9.4
720.98724	2.5
725.37836	10.2
781.39240	2.6
787.10291	2.5
847.44580	8.3
848.44135	4.6
865.47095	3.1
883.46576	4.1
901.46759	47.7
902.46143	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	900.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98522	45.6
63.99280	26.1
64.87749	22.6
69.78908	100.0
79.95733	31.7
80.96503	43.2
86.31560	20.0
91.78856	19.1
96.96011	31.4
98.19957	23.4
107.44527	19.5
109.03075	20.1
111.27177	20.5
221.38731	20.3
249.61177	19.1
277.21591	27.5
278.22055	22.2
342.23666	28.3
413.46594	20.1
553.81329	21.0
787.35498	23.6
788.70856	23.2
837.11053	20.9
901.47485	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86427	100.0
80.96522	47.9
98.20269	80.1
102.66180	26.2
116.92860	31.9
182.11061	29.4
309.20712	32.0
468.00494	29.4
901.46893	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	900.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98544	27.8
66.49720	10.9
71.01375	19.1
76.43613	9.5
79.95731	26.1
80.96518	64.0
94.98111	16.7
101.02460	15.2
116.68969	8.6
116.92870	20.7
117.28260	8.8
126.90500	43.2
164.98668	13.2
209.11839	14.6
225.00737	32.3
229.42291	14.1
237.77406	10.2
293.21121	17.1
307.19186	12.8
309.20764	16.4
428.03577	11.4
900.45288	47.7
901.46100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98528	33.6
62.99253	12.5
63.99248	100.0
64.34940	9.8
69.92237	36.6
71.01385	19.9
79.95733	13.3
80.26698	10.8
80.96515	28.4
115.55193	10.1
126.90523	17.4
158.89729	10.7
163.11227	9.5
214.66380	9.5
215.28877	10.6
309.20566	16.4
337.32730	10.2
397.22418	10.2
900.44739	20.0
901.46179	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47521	100.0
70.68382	55.3
80.96497	56.7
81.21708	53.5
325.58789	48.2
765.90259	51.1
901.50415	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98514	31.0
63.99253	100.0
73.70719	19.0
75.00835	20.2
78.72637	21.0
78.95926	26.0
79.95722	45.1
80.96526	53.8
96.95987	40.6
277.21805	33.9
305.17294	25.9
356.78622	25.7
373.03537	22.0
568.13544	23.7
900.48059	42.1
901.46521	43.4
903.68750	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	900.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99270	52.3
75.00888	33.9
77.64934	30.4
78.91901	100.0
79.95744	33.1
80.96513	47.0
96.96024	41.0
111.29284	30.5
112.44246	32.2
122.00591	27.6
124.79023	30.2
277.21655	54.8
280.01852	37.8
300.57428	35.4
305.17618	49.3
369.30466	34.9
393.31146	32.5
455.53378	35.7
457.24295	34.9
900.30981	35.2
901.47644	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72154	0.7
69.03477	1.0
71.01371	6.2
73.02941	1.3
80.96519	2.5
83.01373	1.4
83.05022	1.2
85.02937	5.3
85.06029	0.8
89.02441	4.2
96.96019	0.8
97.02931	1.2
97.06575	2.7
98.20279	6.6
101.02435	5.7
111.08167	0.9
113.02426	2.6
115.00051	0.7
116.92833	2.7
119.03484	1.1
123.08196	1.0
125.09701	1.5
126.90474	2.9
137.09669	2.0
153.09230	0.9
159.18204	0.8
161.04544	2.5
165.12843	1.0
171.10268	16.7
179.05560	1.3
182.99039	0.8
183.13870	2.3
185.11705	1.5
191.14456	1.1
195.13872	7.9
197.11827	1.6
201.11354	1.5
209.11865	5.7
211.13371	11.3
221.11758	0.9
223.13269	4.6
229.14436	9.3
235.08177	8.8
239.12889	1.7
245.19182	1.0
253.09274	36.6
256.13126	1.2
275.20273	5.0
280.96225	0.8
287.16650	0.9
289.18063	5.1
291.19678	5.1
293.21216	100.0
294.21616	7.3
307.19122	6.2
309.20749	8.3
325.20248	1.3
327.21750	68.1
328.22006	3.2
355.24753	1.0
364.78427	0.9
529.30408	6.1
543.27405	1.0
545.29578	6.2
550.86139	1.0
563.30640	10.3
564.30688	1.2
581.42938	0.8
603.42920	6.2
646.73712	0.9
775.40234	0.9
839.51538	2.2
899.44250	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	899.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35726	0.4
65.00327	0.9
66.51129	0.4
70.26406	1.3
72.19173	0.4
74.02465	0.9
79.65408	0.4
83.01390	0.8
85.02941	1.1
91.69077	0.5
107.01382	1.8
108.02142	0.7
109.02946	0.8
119.05001	0.5
121.02984	1.0
123.01039	0.4
125.02526	0.6
148.01672	0.6
151.00374	7.5
163.00342	0.9
163.03883	0.4
169.01443	0.4
178.99849	3.5
203.08203	1.0
209.02934	0.4
211.03978	0.7
226.02698	0.8
227.03453	0.9
229.05074	0.4
239.03610	0.5
243.02962	4.7
245.09364	0.8
254.02161	1.2
255.02983	12.2
256.03470	0.6
271.02466	28.1
272.02985	2.3
273.03876	0.4
283.02518	0.5
299.01877	0.6
300.02728	62.8
301.03464	27.5
301.06320	0.3
302.03860	1.6
335.32565	0.4
447.09033	1.2
469.40234	0.4
532.44159	0.4
609.14563	100.0
610.14874	11.4
927.27350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51662	63.9
70.52002	37.1
74.41681	25.6
75.80962	32.4
80.96516	99.8
86.81530	31.8
88.51972	25.8
98.20010	33.7
116.92842	35.1
169.83676	30.6
277.21811	36.0
336.75107	33.8
375.55698	31.7
447.12930	31.4
669.48444	32.4
899.47675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99268	44.0
71.01390	32.2
71.35908	35.3
75.00889	47.9
80.96484	34.5
89.06289	35.3
95.84882	46.6
98.20669	86.1
101.95111	34.7
116.92875	45.2
150.19093	30.3
159.74542	36.7
277.21689	100.0
278.22189	89.6
289.71033	36.9
338.94250	39.5
341.23383	37.2
712.17920	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	898.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98537	63.5
63.99266	32.1
71.01386	45.3
80.96500	55.0
89.39573	31.6
94.98032	39.0
95.77395	31.3
116.92835	37.7
125.88777	28.7
126.90547	32.6
197.11710	38.6
253.09283	63.4
277.21667	84.9
291.19745	64.8
293.21298	83.4
294.21494	52.5
307.19412	42.9
309.20648	100.0
343.21362	63.8
424.88062	33.8
648.79095	34.8
899.45020	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62432	22.6
62.98535	43.5
64.29181	21.8
68.93079	24.5
72.79827	28.6
72.99305	26.8
75.00870	100.0
78.46406	24.0
80.96523	40.1
98.19830	38.1
116.92873	66.6
118.06194	20.8
150.46439	24.8
168.43002	23.7
171.10207	30.7
209.11893	32.2
277.21790	31.5
293.21182	30.7
354.48758	27.7
534.53522	25.3
608.67053	26.8
658.77698	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	3.8
71.51873	1.6
85.02944	1.3
88.98815	1.6
89.02441	2.7
101.02464	5.7
101.56786	1.1
113.02424	1.3
116.92858	4.0
155.10800	1.1
158.12318	1.1
161.04480	1.6
163.28197	1.1
165.12869	1.3
177.35109	1.1
179.05623	1.5
179.10663	1.2
179.14236	1.3
181.12343	3.2
195.13835	6.3
197.11861	2.8
206.01820	1.1
207.13805	1.9
223.13347	5.9
227.12975	1.3
228.13551	1.9
235.08150	3.1
247.20563	3.1
253.09279	18.2
256.13324	1.3
273.18564	3.2
275.20209	6.2
277.21854	1.8
281.21152	1.7
289.17841	1.4
291.16309	1.3
291.19638	31.6
292.19955	4.3
293.21225	85.3
294.21448	5.8
309.20715	100.0
310.21011	7.6
527.28479	2.7
529.30347	2.0
545.29553	23.7
546.30261	2.3
701.63300	1.4
821.50433	14.7
822.49768	2.6
836.16766	1.3
857.47681	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	897.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.9
70.81042	0.9
70.81368	1.5
71.01394	4.6
73.02967	0.9
80.23489	0.7
80.96518	1.0
84.02177	1.0
85.02937	1.5
88.98778	1.1
89.02432	3.2
97.06578	6.4
98.43624	0.8
101.02430	5.2
111.08113	1.0
113.02416	2.8
116.92847	1.6
119.03485	1.3
125.09715	0.9
136.46097	0.8
161.04521	1.9
171.10251	8.5
185.11795	1.0
193.12318	8.6
211.13330	2.2
221.11784	1.2
225.14937	15.0
235.08202	6.8
243.15973	8.0
253.09280	23.1
253.14508	0.9
254.09590	1.4
275.20154	1.7
277.21710	81.9
278.22113	5.9
291.19748	3.5
307.22675	0.9
308.23224	1.2
309.20703	1.8
309.23941	1.0
310.21191	1.1
323.22290	5.8
327.21579	1.2
341.23306	100.0
342.23697	7.1
475.46539	0.9
513.30719	2.1
559.31201	2.2
577.32367	7.3
578.32556	0.9
585.26178	0.7
601.44537	8.0
602.44696	1.4
611.14746	0.8
856.19006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47467	0.8
71.01385	9.3
71.05019	0.8
73.02959	1.3
81.03461	1.5
83.05032	4.5
84.02184	0.8
85.02943	2.8
88.98817	0.7
89.02433	5.5
95.05028	2.0
97.06586	1.7
99.00873	1.4
101.02435	7.6
109.02944	1.1
109.06577	1.2
112.05293	0.9
113.02454	3.7
115.07660	1.2
119.03485	2.1
123.04527	1.0
125.09730	3.2
127.07661	4.4
135.08189	1.4
144.92834	1.0
153.09229	12.9
155.10756	2.1
161.04575	3.1
163.11264	5.1
165.12814	1.9
171.10278	15.6
178.09982	3.8
179.05522	1.4
179.10771	1.1
181.12253	1.1
185.11862	6.6
191.10760	2.1
191.14372	1.5
197.11774	6.5
209.11824	62.2
210.12143	3.0
211.13486	1.2
219.13864	0.9
227.12865	1.5
235.08279	3.7
238.12083	1.5
245.19092	3.4
253.09250	13.7
263.20163	1.3
271.17126	1.0
277.21729	100.0
278.22061	6.6
279.19629	1.5
289.18121	21.3
290.18243	1.0
291.19736	0.9
297.20782	0.9
307.19144	85.0
308.19412	5.7
325.20190	25.5
325.24023	1.4
326.20511	2.0
356.13852	0.9
407.19077	1.0
474.21191	1.5
525.27197	7.3
526.27466	1.4
543.28143	29.4
544.28406	2.7
561.29077	3.6
562.29211	1.0
734.42419	7.7
735.42847	1.3
803.49695	24.4
804.49646	4.0
821.50488	5.7
822.49963	1.2
857.47253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51699	0.6
70.45999	2.1
71.01389	4.6
73.02943	1.8
74.58131	0.5
81.03475	0.6
83.01387	0.6
83.05025	1.2
85.02959	1.3
87.00877	1.4
88.98792	1.1
89.02448	2.2
91.48145	0.6
97.02991	0.6
97.06572	1.1
101.02449	4.7
113.02431	2.0
114.90419	0.6
116.92861	0.9
119.03468	0.6
123.04494	1.1
125.09718	2.0
125.80633	0.6
127.07602	1.5
135.08148	0.9
136.26913	0.5
137.09798	0.6
145.05106	1.0
149.06049	0.6
153.09213	7.2
161.04526	2.7
163.11275	1.7
165.12885	0.7
171.10300	4.9
178.09917	1.1
181.12306	1.0
185.11861	3.3
191.10742	0.9
191.14406	1.0
197.11789	3.3
209.11815	20.2
210.12163	1.3
213.52643	0.6
219.13829	0.7
235.08199	7.9
238.12093	0.8
241.14352	0.7
245.19113	0.8
253.09233	9.1
277.21710	100.0
278.22025	8.9
279.19638	1.0
279.22824	0.6
289.15045	1.1
289.18079	10.3
290.18329	0.8
291.19409	1.1
307.19147	33.7
308.19443	2.5
325.20163	9.7
470.68951	0.7
525.27002	4.5
543.28198	4.9
599.39319	0.7
734.42810	4.0
803.49408	14.8
804.49591	3.0
821.50598	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	891.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40431	1.8
71.01396	7.9
71.51686	3.0
82.40064	1.7
83.05044	2.4
87.00881	2.8
88.98804	2.4
89.02451	2.6
99.92603	2.3
101.02467	4.7
116.92882	9.1
125.09669	2.4
126.90495	2.2
134.89470	2.5
136.89192	3.3
161.04526	2.6
165.12915	3.5
171.10310	6.1
195.13940	3.9
197.11751	3.1
202.73859	1.8
209.11824	79.9
210.12170	2.7
211.13438	2.9
216.14537	2.1
223.13544	3.9
227.12869	19.0
235.08266	7.6
253.09315	20.6
253.11691	3.3
275.20145	2.9
289.18033	2.2
291.19693	15.6
293.21228	100.0
294.21609	6.3
307.18936	10.3
309.20746	7.2
310.21164	3.1
325.20056	3.6
327.21771	11.1
328.22226	2.5
363.31009	2.0
503.14554	2.0
543.28265	3.3
545.29547	2.6
588.37317	2.3
755.44000	2.0
835.47223	3.0
850.30548	2.2
891.48779	16.7
892.48663	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	889.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.7
69.03465	1.3
70.24998	0.5
70.25344	1.9
71.01383	6.8
71.05058	0.8
72.99313	0.8
73.02956	1.2
80.02688	1.2
81.03476	1.1
83.01399	0.8
83.05022	5.1
84.02189	1.3
85.02947	7.0
87.00893	1.4
88.98814	1.4
89.02456	3.5
95.05021	1.2
96.96020	1.5
97.02952	1.5
97.06600	2.9
98.20202	1.0
98.90665	0.5
99.00881	1.2
99.92572	1.6
101.02431	6.2
111.08167	0.6
113.02480	2.4
114.93431	0.7
115.80570	0.5
115.92051	0.7
116.92860	10.1
117.92911	0.7
119.03451	1.1
125.02404	0.7
125.06039	0.7
125.09722	1.6
127.07661	1.0
127.11317	1.1
133.05077	0.6
135.08154	0.7
137.09720	1.4
139.74521	0.4
140.53963	0.4
145.05055	1.1
155.10811	0.9
161.04572	1.8
163.11250	4.6
165.12836	3.6
167.14386	0.9
171.10263	24.0
172.10686	1.0
177.12808	0.9
178.10152	0.7
179.05618	0.6
181.12338	1.1
183.13937	2.7
185.11813	2.2
186.33566	0.5
191.10675	0.6
193.12256	0.6
195.13922	0.6
197.11841	1.7
199.13271	0.5
201.11287	1.2
203.10797	0.7
207.10184	0.8
209.11823	100.0
210.12138	4.1
211.13380	12.8
212.13731	0.8
221.11778	1.7
223.13449	0.6
225.11340	0.8
227.12885	14.9
229.14438	8.5
235.08205	6.7
239.12910	1.4
253.09282	18.9
254.09633	0.8
269.83655	0.5
289.18307	1.2
291.19611	3.9
307.19250	6.2
307.22635	0.8
309.20673	6.8
325.20245	2.0
327.21756	79.6
328.22116	5.4
445.20871	0.7
563.30713	2.5
669.55096	0.6
829.38086	0.8
889.49921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5092
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
61.98822	36.5
71.01369	6.7
71.51962	6.7
75.00881	10.8
89.02422	5.0
97.06611	4.7
97.39073	5.2
101.02493	5.6
103.00370	9.8
103.29317	4.5
104.69913	4.6
116.92882	38.3
134.89449	13.6
171.10263	28.3
197.11826	16.2
209.11752	26.3
227.12914	5.7
235.08235	9.8
253.09267	52.4
255.76329	4.9
275.20169	10.5
287.16608	10.3
289.18109	14.9
291.19632	26.3
293.21246	100.0
294.21646	6.6
305.17590	25.7
307.19150	20.9
309.20566	43.1
310.21240	7.8
327.21530	5.8
341.23337	73.8
351.46582	6.2
449.40027	6.2
577.32678	13.7
617.44427	10.2
766.20673	5.0
833.46423	6.2
835.48615	16.0
851.48340	7.2
853.52124	7.2
889.50574	68.6
890.50494	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	889.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	6.6
71.01363	4.4
72.01024	2.7
72.75140	2.3
77.28703	2.3
80.86555	2.3
85.02934	3.1
88.01847	2.4
88.98829	2.7
89.02444	5.4
96.21198	2.1
98.19926	8.7
100.51395	2.5
101.02413	3.7
113.02419	4.1
116.92857	10.9
122.84978	2.0
127.11297	2.3
134.89453	7.1
135.89455	2.2
136.89168	20.2
137.89143	2.2
153.09250	5.0
153.12892	2.7
171.10228	8.0
179.10741	2.4
197.11798	8.6
209.11859	15.5
223.91541	2.4
235.08226	9.5
247.20413	3.8
253.09262	11.7
263.20325	2.5
289.17993	10.6
291.19672	27.1
292.19794	3.2
305.17493	3.8
307.19135	55.0
308.19580	5.0
309.20691	100.0
310.21017	4.0
325.17142	2.9
325.20248	32.1
390.47083	3.1
409.23334	2.5
525.27356	4.4
527.28418	2.6
543.28009	15.7
545.29645	41.5
546.30292	2.6
754.97125	2.8
766.41321	8.7
817.46930	5.9
835.48389	59.3
836.48456	10.0
853.49451	27.4
854.49622	5.5
889.47284	67.6
890.47162	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	889.353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.6
71.01376	0.2
71.52380	0.2
73.02940	0.5
78.95953	0.1
79.40893	0.1
85.02953	0.2
90.31541	0.1
91.20753	0.1
96.96020	0.3
99.92586	10.3
100.92605	0.4
105.21698	0.1
113.66021	0.1
114.93423	0.7
116.92862	100.0
117.01936	0.8
117.92876	3.9
171.10266	0.4
171.45959	0.1
209.11847	0.4
327.21872	0.5
523.79602	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	888.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.01402	0.2
79.95741	0.4
80.96516	1.7
94.98109	0.3
99.92602	0.3
116.92858	1.0
117.92904	0.3
118.92660	0.2
143.53172	0.2
143.74728	0.2
164.98686	0.3
192.18362	0.2
225.00851	0.3
230.62282	0.2
235.55084	0.2
244.49770	0.2
279.04245	0.2
326.12527	0.3
611.61584	0.2
752.96454	0.2
802.50262	0.2
888.48853	1.0
889.49927	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	6.0
62.64592	1.3
64.95490	1.3
71.01371	4.2
71.29465	1.2
73.30743	1.2
83.05013	2.7
85.02953	9.3
89.02453	2.4
96.96007	3.1
97.06609	2.6
99.92631	1.5
101.02441	4.1
107.04996	2.1
113.02460	1.8
116.92857	8.3
125.09707	3.0
126.90511	17.9
137.09692	1.8
161.04451	1.4
163.11269	2.6
165.12830	2.5
171.10277	14.5
183.13869	3.3
197.11905	6.5
207.10284	3.2
209.11804	28.4
211.13385	16.6
221.11786	4.9
225.11311	3.1
228.97916	1.6
229.14423	11.4
232.27281	1.6
234.39597	1.4
239.12730	1.9
253.09357	7.9
277.18060	2.1
287.16562	2.4
291.19647	3.3
293.19733	1.8
305.17590	23.0
323.18768	7.1
327.21762	100.0
328.22021	6.2
381.61914	1.6
419.36536	1.4
461.20120	2.6
541.26514	47.2
542.26801	3.8
559.27460	11.1
560.28229	2.2
692.60339	1.7
878.52161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	5.6
69.03453	2.5
69.44204	4.2
71.01384	8.4
71.04991	0.9
72.02157	0.7
72.99297	0.5
73.02942	1.8
80.02682	1.1
81.03458	0.9
83.01401	1.6
83.05021	2.4
84.02160	1.4
85.02953	9.0
87.00889	1.4
89.02435	5.6
89.02955	0.7
95.01402	1.0
95.05020	2.6
96.96002	2.4
97.02940	2.2
97.06590	9.0
98.03757	0.6
99.00877	3.6
99.04505	0.8
99.92583	9.0
100.92525	0.7
101.02446	7.3
107.05034	1.4
110.03740	0.6
111.08170	2.0
113.02415	3.9
114.93423	1.0
115.07605	0.6
116.92860	78.0
117.01939	1.2
117.92860	4.4
119.03526	1.2
123.04495	0.6
123.08192	1.3
124.05425	0.6
125.02438	0.7
125.06077	9.0
125.09715	4.9
126.90492	1.2
127.07606	0.6
127.11307	4.5
130.73724	0.6
135.08195	1.3
137.09720	2.5
138.60733	0.6
139.07655	4.2
139.11264	0.6
141.09241	2.9
143.03479	1.1
145.05099	1.3
151.07590	0.6
151.11333	0.7
153.09174	1.7
155.10771	2.4
155.14438	0.8
161.04529	3.1
163.11273	2.2
165.09195	0.9
165.12833	2.0
167.14468	0.6
169.08696	14.6
169.12375	1.3
171.10265	40.4
172.10602	0.8
177.12811	1.1
179.05640	1.7
181.12311	3.3
183.13884	4.2
185.11855	2.9
191.10812	0.6
193.12297	3.3
194.60916	0.6
197.11798	4.8
199.09761	0.9
199.13354	3.6
201.11316	44.9
202.11708	1.4
207.10284	1.2
209.11824	18.4
210.12201	0.7
211.13368	18.1
212.13849	0.6
213.11327	1.7
221.11816	4.0
225.11365	2.7
225.15012	4.0
227.12863	2.8
229.14445	11.2
230.14943	0.6
233.79788	0.5
235.08212	8.3
239.12837	3.3
243.15973	2.1
253.09270	40.9
254.09613	0.7
277.17944	0.6
279.19757	1.0
287.16522	2.4
289.18079	0.8
291.19629	7.2
305.17584	11.2
305.20886	0.9
306.17938	0.8
307.19131	2.9
309.20667	7.1
309.31992	0.5
323.18600	2.1
323.22058	1.3
325.20160	1.0
327.21750	100.0
328.22055	6.1
341.23303	65.5
342.23672	4.6
407.18906	0.9
437.20261	1.8
511.32730	1.7
541.26923	2.8
545.29419	2.2
559.27795	0.7
563.30603	9.1
564.30768	0.8
577.32343	3.9
578.32843	0.6
651.45013	3.6
662.51263	0.6
741.39667	0.7
771.41956	1.3
789.42999	2.2
851.47931	3.5
869.48987	2.4
894.67761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.99258	4.7
69.36932	2.9
71.01396	3.7
71.08028	2.3
71.08396	6.0
78.95931	2.9
79.95721	6.6
80.96531	17.1
83.51785	2.3
87.00875	2.8
94.98035	4.5
99.92582	6.3
101.02466	3.8
114.26704	2.6
116.92853	32.4
134.89482	6.1
171.10204	5.6
195.14067	2.3
209.11786	17.2
220.60017	2.4
235.08214	4.5
249.09058	2.9
253.09387	8.3
275.20123	6.6
277.21762	4.4
279.23297	6.4
289.18140	4.6
307.19107	20.9
307.22784	31.9
309.20679	8.0
323.22119	4.9
325.20108	7.7
461.97226	2.7
470.83224	2.6
525.26764	3.5
543.28394	8.7
764.44080	4.8
814.52020	5.3
833.50732	25.0
834.51318	5.6
851.51886	7.8
887.48755	54.6
888.48633	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	887.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	54.1
68.99801	19.6
71.01373	11.5
71.51760	4.6
97.02916	5.2
101.02433	15.4
104.27657	4.9
107.05022	18.5
109.06574	5.7
113.02448	7.6
116.92867	19.5
121.94720	5.0
125.09659	8.0
147.37241	5.3
151.07640	95.0
153.09242	5.4
161.04396	7.3
163.11281	7.2
168.26915	5.7
171.10252	82.5
185.11807	11.5
187.05293	58.2
197.11845	13.1
201.11360	32.8
209.11880	25.0
210.12154	10.4
215.12787	6.2
225.11292	16.2
235.08260	8.5
245.19051	6.9
253.09383	24.0
277.21759	5.9
287.16574	11.2
289.18018	21.8
291.19653	70.4
292.19974	9.0
305.17749	38.8
307.19220	30.9
309.20688	100.0
310.20901	11.2
323.18491	6.4
332.37524	5.9
334.40979	5.2
341.23187	7.5
359.75595	4.9
385.21356	4.8
541.26514	10.2
621.17609	5.5
833.46643	12.2
851.48126	10.5
887.46399	29.0
888.45758	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	887.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.9
71.01379	7.6
71.64645	1.0
72.99315	1.2
73.02939	1.5
77.03721	1.0
81.03454	1.7
83.05006	3.1
85.02947	2.3
87.00855	3.1
89.02463	5.3
95.05047	2.2
97.02941	2.8
97.06581	2.0
98.20754	2.3
99.04509	1.7
101.02473	6.3
109.06542	1.6
112.46750	1.0
113.02425	3.6
115.07636	2.3
116.92875	5.6
121.02950	1.2
123.08154	1.5
125.09742	5.8
127.07631	3.1
135.08145	2.7
137.09721	2.4
139.07623	1.9
143.07117	2.6
145.05142	1.6
152.21983	1.0
153.09227	12.9
161.04596	1.3
163.11319	5.6
165.12854	2.8
171.10278	30.8
178.09966	2.5
179.05524	1.4
179.10681	1.3
185.11836	9.9
189.76349	1.1
191.10779	2.8
191.14461	5.9
197.11847	7.3
201.11203	1.9
207.10281	2.6
209.11819	39.9
209.13809	1.9
210.12146	2.3
211.13390	1.7
217.15866	1.2
219.13943	1.9
225.11136	2.5
227.12747	2.0
229.58337	1.2
235.08202	4.4
237.11398	2.9
238.12039	2.2
245.16602	1.4
245.19057	12.6
253.09300	15.8
263.20108	2.2
271.17230	1.4
279.19827	2.1
280.60358	1.0
287.16531	1.5
289.18103	45.8
290.18488	3.4
291.19568	7.5
303.19016	1.2
305.17624	8.7
307.19156	100.0
308.19522	5.5
309.20755	8.8
323.18585	1.9
325.20166	25.9
333.20459	1.3
361.23709	1.2
363.21451	1.2
407.18872	2.6
425.26462	1.1
443.28040	1.2
474.21188	1.2
525.27063	4.4
541.26465	3.5
543.28101	22.2
544.28369	3.4
561.29498	5.3
705.38397	1.7
723.39374	3.7
753.40558	4.0
764.39618	6.6
765.40173	1.9
782.41180	3.6
815.45465	7.5
821.43896	1.2
833.46899	32.2
834.47430	8.6
851.47772	21.3
852.48370	4.4
887.45306	11.9
888.46472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	5.9
68.89378	0.7
69.03085	0.8
69.03416	4.5
69.58089	3.7
71.01380	20.3
71.05003	2.2
72.99307	1.4
73.02942	3.6
81.03457	1.8
83.01378	2.1
83.05014	3.4
84.02166	1.2
85.02938	7.3
87.00876	5.5
88.51328	0.7
89.02446	14.3
93.03445	1.2
95.01395	1.3
95.05019	3.0
96.96034	0.9
97.02951	2.9
97.06588	4.2
98.03713	0.8
98.20119	2.2
99.00870	2.6
99.04547	0.7
99.92563	1.4
101.02447	15.4
107.04999	1.2
109.06599	1.5
111.00893	1.5
111.04530	0.9
111.08164	4.8
113.02448	9.4
113.05591	0.7
116.92857	9.6
119.03493	3.9
123.08144	1.9
125.02443	4.6
125.06084	5.3
125.09709	5.1
126.06424	0.9
126.90549	0.8
127.07628	1.7
127.11309	2.5
135.08194	1.5
137.09727	1.7
139.07660	4.6
139.45865	0.7
140.07982	1.4
141.09193	1.3
142.09547	0.8
143.03497	1.9
145.05011	0.6
145.68153	0.6
149.09642	0.9
151.07661	1.1
151.11249	1.0
153.09193	5.3
153.12860	0.9
154.09598	2.1
155.10777	1.3
161.04541	4.4
163.11272	1.9
163.79842	0.7
165.12851	1.2
167.10791	5.3
169.08704	6.0
169.12357	2.1
170.09006	2.7
171.10271	29.3
171.98058	0.7
172.10600	7.3
173.10728	1.6
177.12823	1.0
179.05594	5.3
179.10741	1.6
179.14441	5.0
181.12321	1.9
183.13896	1.3
185.11876	4.2
186.12061	0.8
191.10738	0.8
193.12195	0.9
195.10252	0.7
195.13879	13.4
196.14127	0.9
197.11819	18.1
197.13582	1.4
198.12134	2.0
199.13388	2.3
201.11313	27.9
202.11661	10.0
203.11798	2.9
205.12320	10.7
207.10239	0.8
209.11824	23.2
210.12157	10.0
211.13609	5.4
221.06689	1.0
221.11882	1.1
223.13382	100.0
224.13719	4.1
225.11426	1.3
225.15068	1.0
226.11790	1.2
227.12904	1.1
229.14413	3.0
235.08176	7.1
236.08524	1.0
236.10640	1.1
239.12808	0.9
241.14366	2.0
242.14819	1.5
245.19028	1.0
253.09276	20.0
254.09610	3.8
255.09775	1.4
287.16476	1.3
288.17001	1.0
289.17932	2.9
290.18405	2.8
291.19562	5.0
292.20160	0.8
293.21121	0.8
305.08884	0.8
305.17514	6.3
306.17947	4.0
307.19141	17.8
308.19467	15.1
309.20377	11.0
310.20972	1.2
323.09851	1.1
323.18576	1.5
325.20224	6.9
326.20557	4.5
327.21753	37.2
328.22073	4.6
329.22220	0.7
341.23315	42.3
342.23590	5.3
343.24136	1.5
379.12595	3.4
397.13483	24.0
398.13748	1.4
415.14694	4.7
429.26474	1.2
439.21289	0.8
458.00046	0.8
526.27509	1.3
527.28052	1.2
541.26495	1.0
542.26324	1.2
543.27716	3.3
544.28314	3.2
545.28717	4.7
561.28613	1.1
562.29559	1.0
563.30341	4.1
577.32483	4.2
603.26477	16.7
604.27411	1.5
621.27539	19.5
622.27606	1.9
651.44733	1.7
699.38745	1.2
717.40442	1.3
728.39124	1.1
729.39758	3.0
747.40527	1.3
764.21497	0.8
783.37537	1.0
809.39594	9.0
810.40125	1.6
827.40247	8.2
828.41302	1.5
833.46088	1.9
851.47559	2.6
869.49884	2.0
887.50763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
79.95700	0.1
80.96534	0.2
96.39226	0.1
99.92592	0.1
116.76012	0.1
116.92863	0.9
117.92883	0.3
224.32556	0.1
254.63025	0.1
278.21817	0.1
686.70337	0.1
887.48608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.51434	0.3
79.95756	0.2
80.96507	1.1
94.98133	0.3
101.42701	0.2
157.55307	0.2
225.00790	0.3
279.23373	0.3
350.04279	0.2
361.12357	0.2
542.58942	0.2
886.47266	1.3
887.48187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.1
65.61720	0.1
67.81863	0.1
69.18102	0.5
69.18516	0.3
71.01376	0.4
73.02941	0.9
74.13742	0.1
75.00904	0.1
83.01410	0.1
84.02152	0.3
85.02943	0.6
89.02451	0.3
89.10345	0.1
96.96046	0.2
97.02991	0.2
97.06579	0.3
99.00849	0.2
99.92583	11.7
100.92587	0.3
101.02433	0.4
113.02459	0.2
114.93426	0.7
116.92860	100.0
117.01935	1.3
117.92867	3.6
125.09789	0.1
127.11284	0.1
137.09683	0.2
143.03563	0.1
161.04596	0.1
166.65996	0.1
171.10271	2.9
172.10703	0.1
181.12378	0.1
183.13959	0.1
193.12233	0.2
197.11864	0.4
201.11313	0.1
209.11917	0.3
211.13394	0.8
221.11809	0.2
225.14996	0.3
225.82755	0.1
229.14447	0.4
235.08299	0.3
243.16019	0.2
250.35118	0.1
253.09286	1.9
274.10303	0.1
291.19778	0.3
293.21368	0.1
305.17471	0.2
305.77448	0.1
309.20801	0.5
327.21741	4.3
328.22003	0.2
341.23291	5.3
342.23907	0.2
394.40152	0.1
485.28137	0.1
500.28143	0.1
545.30511	0.1
563.31128	0.4
577.32367	0.4
651.45038	0.2
869.50049	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	886.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.32845	0.2
71.01390	0.2
79.95743	0.3
80.96507	1.3
82.96082	0.3
85.27031	0.2
87.03934	0.2
94.98091	0.4
116.92892	0.6
120.48649	0.2
142.31020	0.2
198.35719	0.2
209.33023	0.2
225.00815	0.4
271.46133	0.2
317.75186	0.2
335.66721	0.2
409.76596	0.2
886.47198	1.5
887.48383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	15.4
62.31045	1.1
69.03447	2.1
70.65900	3.1
71.01382	14.0
71.05030	2.5
72.99329	1.4
73.02950	3.9
74.37892	1.1
79.97791	1.0
80.02663	1.4
81.03453	3.0
83.01398	5.1
83.05029	6.9
84.02166	6.0
85.02969	9.9
87.00870	3.4
88.98815	1.9
89.02461	7.9
95.05034	4.2
96.96007	5.1
97.02956	3.3
97.06588	9.9
99.00876	2.5
99.04527	3.8
99.92568	3.9
101.02450	12.0
107.05021	2.4
109.06618	1.2
111.08132	3.5
113.02458	7.6
115.07648	1.5
116.92860	20.7
117.92894	2.0
119.03468	2.6
123.04554	2.5
123.08174	2.6
125.02434	1.9
125.06084	4.2
125.09708	10.4
126.90508	12.0
127.07655	6.3
127.11263	2.7
135.08182	5.3
137.09705	4.4
139.07669	5.9
141.09229	2.1
143.03479	1.9
143.07100	1.9
149.09731	1.7
151.07643	1.2
151.11351	2.5
153.09209	19.9
153.12846	1.2
155.10788	4.3
161.04506	4.1
163.11324	7.3
165.12859	4.6
169.08676	5.6
171.10269	90.9
172.10573	2.4
178.09982	3.5
179.05656	1.7
181.12407	1.4
183.13881	2.1
184.60851	1.1
185.11816	8.8
191.10796	4.6
191.14330	2.6
193.12315	10.0
197.11821	12.6
199.09726	2.3
199.13358	1.3
201.11336	23.7
207.10323	2.0
209.11819	77.3
210.12115	2.6
211.13382	9.3
215.12926	1.3
221.11945	2.9
221.31697	1.4
225.11368	2.2
225.14948	14.4
226.11984	1.4
227.12930	2.7
229.14484	3.1
235.08194	14.9
238.12050	2.9
239.12778	2.7
241.14470	22.9
243.15906	7.6
245.19055	3.6
253.09258	37.1
253.14455	1.5
254.09531	1.4
263.20081	2.2
279.19742	3.7
287.16360	2.6
289.18130	21.9
291.19699	4.3
297.20758	1.6
305.17542	6.6
307.19159	92.6
308.19525	7.0
309.20660	6.7
321.20721	7.5
323.18564	2.2
323.22244	1.5
325.20206	38.9
326.20331	2.6
327.21808	31.6
328.22229	2.2
339.21558	1.6
341.23328	100.0
342.23688	7.0
382.28812	1.5
407.19193	4.4
425.11465	1.2
434.23358	1.3
474.20233	1.3
477.23608	2.7
525.26947	3.8
541.26495	1.8
543.28119	32.8
544.28375	2.2
545.29785	2.8
549.36627	1.1
559.28217	2.1
561.29095	8.2
563.30310	2.8
577.31927	4.1
625.11572	1.2
664.24982	1.4
697.37750	8.7
715.39386	4.5
727.39258	3.9
745.40790	1.6
778.22748	1.2
798.44141	4.0
849.46210	5.0
867.50830	25.3
868.50830	5.3
885.52148	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	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	5.7
62.14481	0.5
69.03448	1.7
69.78625	0.5
71.01377	13.6
71.05025	1.4
72.02160	0.9
72.99302	1.0
73.02944	3.4
75.00881	0.6
78.95898	0.6
80.02676	2.0
81.03461	2.4
83.01383	1.9
83.05024	5.9
84.02168	2.0
85.02948	6.9
86.00101	0.7
87.00872	3.5
89.02441	8.6
93.03481	0.9
95.01388	1.6
95.05027	6.7
96.95983	4.4
97.02955	2.3
97.06583	8.7
98.03743	1.5
98.20281	4.4
99.00875	4.5
99.04514	1.5
99.08180	1.4
99.92557	1.1
100.01642	1.4
101.02441	10.6
107.04402	0.5
107.04986	3.1
109.02959	1.0
109.06615	1.9
110.03725	1.0
111.00868	1.3
111.04552	1.0
111.08173	3.4
112.05268	1.3
113.02448	6.3
113.06078	0.8
113.09737	0.9
114.93407	0.6
115.07651	1.9
116.92859	9.8
119.03494	2.5
119.05017	0.7
121.02953	1.4
121.06569	1.4
122.03739	1.2
123.04527	1.6
123.08174	3.0
124.05335	0.9
125.02429	1.6
125.06083	11.4
125.09711	12.8
126.90486	1.5
127.07644	5.4
127.11309	5.0
135.04445	0.8
135.08177	4.3
136.05283	0.7
137.06036	0.6
137.09724	2.1
139.07643	12.4
139.11296	1.8
141.09212	4.1
143.07082	0.6
145.05083	1.5
149.09729	1.2
151.07677	1.6
151.11292	1.5
153.09210	17.6
154.09534	0.6
155.10751	4.4
161.04552	4.9
163.07692	0.6
163.11295	7.8
165.09195	2.3
165.12845	3.1
167.10783	1.7
169.08682	16.1
169.12312	1.4
171.10265	58.8
172.10603	2.4
177.09229	0.8
177.12827	0.9
178.09996	3.9
179.05652	1.6
179.10722	0.9
181.12379	3.2
183.10326	0.9
183.13898	1.0
185.11826	10.6
189.12769	0.6
191.10771	4.4
191.14372	1.1
192.11430	0.6
193.12317	2.3
195.10139	0.6
197.11832	14.8
198.12219	0.9
199.09747	2.7
199.13373	3.2
201.11314	100.0
202.11646	3.9
207.10245	4.2
209.11812	78.5
210.12198	4.3
211.13335	3.9
213.11359	1.8
215.12903	0.6
218.09419	0.8
219.10262	1.1
219.13901	1.5
221.11868	1.1
225.11324	4.3
225.15001	2.4
227.12869	3.6
229.14438	2.4
235.08182	10.3
235.20686	0.6
236.10538	1.9
236.29152	0.5
237.11221	0.7
237.15019	0.8
238.12082	2.7
239.12892	1.0
239.16608	1.1
241.14426	7.3
243.12183	0.7
243.15790	0.9
245.19135	3.1
247.20778	0.7
253.09250	34.9
254.09570	1.3
261.18658	2.2
263.16690	1.0
263.20169	1.2
279.19638	2.4
287.16537	4.3
289.18088	19.0
290.18402	1.8
291.19714	3.1
295.19119	1.3
297.20773	0.9
305.17584	19.1
305.20859	0.7
306.18112	1.1
307.19141	79.1
308.19461	5.8
309.20645	4.2
321.20712	3.1
323.18594	4.0
323.21970	1.4
325.20187	32.3
326.20551	2.3
327.21741	15.0
327.25336	1.1
328.22110	1.0
339.21838	2.2
341.23294	32.6
342.23618	2.5
381.22650	0.8
407.19244	2.5
437.20291	3.2
474.20660	0.9
491.30377	0.9
523.25677	0.8
525.26874	4.5
526.27216	0.6
541.26740	6.9
542.27203	0.9
543.28088	21.3
544.28412	1.9
559.27899	2.4
561.29376	4.2
563.31311	1.1
577.32367	1.6
628.30438	0.8
649.40302	0.6
658.31812	3.1
697.37799	4.8
698.38495	1.2
709.38623	1.3
715.39069	2.4
721.38947	0.6
727.38885	9.0
728.39484	2.2
735.39850	1.0
739.39508	1.2
745.39935	4.4
753.40674	0.9
762.38110	0.7
769.40112	1.1
780.39520	1.6
787.41339	1.3
798.43640	1.1
831.45215	3.2
849.46716	4.3
867.50183	6.6
868.50842	1.7
885.51593	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	885.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98533	0.5
61.98829	5.2
63.29209	0.2
69.03454	0.7
71.01382	16.8
72.99323	1.4
73.02940	2.6
75.00854	0.5
79.95720	0.6
80.02683	1.4
80.96517	0.6
81.03465	2.3
83.01373	2.1
83.05031	5.1
84.02184	1.1
85.02950	4.3
87.00873	4.1
89.02444	13.4
95.01392	1.5
95.05029	1.0
97.02949	2.8
97.06586	0.3
99.00876	1.0
99.04524	0.3
101.02441	13.2
109.02933	0.6
109.06576	0.5
111.00890	0.5
111.04525	0.5
111.40195	0.2
113.02444	7.3
114.99970	0.2
115.87637	0.3
116.92843	0.9
119.03492	3.7
121.02911	0.3
121.17171	0.2
125.02441	5.7
125.06075	0.6
125.09721	0.4
126.90511	0.5
127.04023	0.4
131.03508	0.6
133.05035	0.5
134.89499	0.4
135.08170	0.7
139.04004	0.6
141.01968	0.4
143.03482	2.7
145.05074	0.3
147.11746	0.3
149.04549	0.6
149.09706	0.2
161.04547	3.4
161.09726	0.3
163.11288	4.6
164.11583	0.4
165.12856	2.2
167.03412	0.5
169.05014	0.5
171.10268	0.6
173.56752	0.3
179.05621	3.8
181.12325	0.6
183.13921	0.4
191.10701	0.9
197.11763	1.0
199.06125	0.4
209.11816	100.0
210.12111	4.3
211.13393	3.7
217.07147	0.7
221.06691	1.2
223.13324	0.4
225.11201	0.3
227.12883	12.3
228.13297	0.4
229.63596	0.3
235.08231	5.7
245.06566	0.3
251.12837	0.5
253.09277	1.4
259.08224	0.7
263.07660	0.7
275.20242	0.8
277.21704	54.2
278.22067	3.5
279.61487	0.3
287.07770	1.9
289.18210	0.6
291.19824	0.6
291.23071	0.4
293.21207	5.1
294.21323	0.4
303.16068	0.3
305.08768	1.9
305.17596	0.4
307.18973	0.7
308.19452	0.3
309.20737	0.5
323.09741	1.7
341.10706	0.3
379.12463	7.3
380.12738	0.4
392.42432	0.3
397.13486	43.1
398.13818	2.4
415.14584	9.2
416.15015	0.4
589.24768	0.9
607.26099	0.9
675.35974	1.1
831.45203	0.5
849.46832	0.6
885.46515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.4
63.40084	0.2
68.99814	0.2
69.03479	1.0
71.01380	12.7
71.05012	0.2
71.51746	0.2
72.99308	1.4
73.02944	2.1
75.00877	0.4
79.95731	0.8
80.02674	1.1
80.96518	0.4
81.03461	1.8
83.01386	1.7
83.05024	5.1
84.02144	0.7
85.02951	3.4
87.00879	3.1
89.02444	11.0
90.02798	0.2
91.04021	0.2
93.03442	0.3
95.01379	1.3
95.05026	0.6
96.95963	0.3
97.02946	2.2
97.06570	0.4
99.00886	0.6
99.92633	0.3
101.02442	10.1
102.02763	0.2
109.02885	0.2
109.06633	0.5
111.04522	0.4
113.02450	6.0
115.03979	0.3
116.92873	1.2
119.03484	2.8
121.02925	0.2
123.04490	0.2
125.02439	5.2
125.06081	0.6
125.09692	0.4
126.90450	0.3
127.04038	0.3
131.03482	0.7
133.05078	0.3
134.89482	1.7
135.08148	0.8
137.02423	0.3
139.03960	0.3
139.07579	0.3
141.01967	0.4
143.03479	1.8
149.04539	0.3
151.07661	0.5
161.04539	2.9
163.11287	4.3
165.12872	2.3
167.03459	0.3
171.10234	0.9
177.85135	0.2
179.05594	3.8
181.04938	0.3
181.12297	0.7
185.04601	0.3
185.11794	0.3
191.10760	1.2
197.11821	0.5
199.06129	0.5
201.11385	0.4
202.58218	0.2
209.11813	100.0
210.12155	4.7
211.13356	0.6
217.07097	0.6
221.06647	1.4
223.13406	0.2
227.12881	11.1
228.13109	0.3
233.11833	0.3
235.08208	4.7
245.06871	0.3
250.24165	0.2
251.12892	0.6
253.09291	1.3
259.08182	0.5
263.07697	0.5
275.20145	0.4
277.21707	41.9
278.22110	2.7
287.07681	1.7
288.16751	0.2
289.18088	1.5
291.19690	0.6
291.22723	0.2
292.19983	0.2
293.21091	0.6
305.08771	1.9
305.14435	0.2
305.17490	1.1
307.19147	0.6
307.22598	0.3
307.37372	0.2
309.20737	0.5
310.20978	0.3
323.09677	1.1
341.23199	0.2
355.24817	0.4
356.25198	0.3
361.11655	0.4
379.12445	6.5
380.12689	0.4
397.13495	33.0
398.13757	2.0
415.14572	8.5
415.19064	0.2
416.15167	0.3
497.20532	0.3
589.24884	1.0
607.25928	1.5
675.36176	0.6
699.34888	0.2
811.49847	0.3
831.45056	0.6
849.45782	0.4
885.45990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.43145	2.8
63.40928	3.1
69.03465	4.3
71.01385	16.8
73.02945	3.5
75.05442	2.6
79.95729	8.3
80.96527	6.1
82.33698	2.8
85.02934	4.0
87.00848	5.7
89.02449	8.5
97.03029	4.6
97.06586	8.3
98.20670	6.5
99.92572	7.0
101.02445	14.1
107.05056	4.8
109.06582	3.8
113.02437	4.1
116.92860	57.3
121.02966	7.9
121.06553	3.3
123.08143	3.7
125.09736	17.2
126.90527	2.9
127.07657	8.5
128.14128	2.8
135.04561	3.4
135.08145	8.8
137.09706	3.0
143.07140	9.4
146.32420	2.9
148.29953	2.9
151.07675	4.8
153.09209	11.3
156.97342	2.9
161.04640	5.8
163.11293	8.0
171.10262	37.6
172.22919	3.0
177.05524	4.3
178.10034	3.5
179.05496	3.2
181.12297	3.6
185.11821	21.9
187.09685	4.0
189.12775	3.3
191.10706	6.3
191.14383	5.4
192.29305	3.3
197.11873	18.2
201.11322	3.8
207.10234	4.4
209.11816	42.0
211.13380	4.2
227.12695	5.3
229.40259	3.9
235.08228	8.9
243.17560	8.3
245.19035	9.6
253.09248	22.7
275.20050	3.8
277.21561	3.2
287.16525	26.4
289.18066	36.4
291.19562	6.7
305.17569	77.2
306.17691	9.2
307.19128	57.0
308.19565	5.3
309.20682	11.4
311.21637	3.2
323.18597	5.0
325.20090	21.1
341.23154	11.3
352.08255	3.3
397.13589	5.7
400.02539	3.4
541.26593	18.9
543.28088	12.6
582.02881	3.3
705.37177	5.8
721.38013	5.0
733.37152	3.4
735.40118	3.9
751.38611	7.7
762.38068	10.4
780.39801	22.0
781.39136	3.3
813.44220	13.3
831.45325	47.1
832.45319	9.6
849.46509	32.5
850.46582	5.3
885.44373	30.7
886.44543	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	885.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	14.1
68.99807	1.8
71.01378	14.0
73.02946	3.1
79.95718	2.4
80.02679	1.8
81.03442	5.3
83.01357	3.9
83.05024	7.0
85.02946	5.1
87.00871	4.3
89.02430	6.7
95.01382	2.3
95.05023	4.6
96.95972	2.2
97.02941	6.9
97.06569	5.9
98.20100	11.8
99.92564	4.1
101.02447	13.9
107.05009	5.6
109.06579	5.0
111.00879	4.2
113.02464	8.1
116.92860	25.6
117.92862	1.9
119.03493	2.5
121.02959	2.8
121.06614	3.4
123.04502	5.5
123.08147	5.1
125.02421	2.5
125.06069	4.2
125.09711	17.8
126.63753	1.8
127.07641	3.8
134.89436	3.8
135.04543	2.3
135.08136	7.9
137.06117	1.8
137.09694	3.6
139.07634	1.9
143.07056	3.0
149.05948	1.7
153.09189	11.8
161.04527	6.3
161.05894	2.4
161.09715	3.8
163.07631	2.0
163.11296	18.0
165.12817	9.4
165.13986	1.6
171.10289	17.1
176.08417	3.6
177.05531	6.9
177.09157	2.4
178.09943	2.8
179.05740	2.6
179.10648	2.6
181.12289	5.6
185.11810	19.1
187.09674	2.3
189.09189	2.6
191.10745	8.0
191.14386	7.8
197.11812	23.8
207.10249	22.0
209.11819	100.0
210.12161	5.4
225.11328	11.6
226.05690	1.9
227.12895	5.0
229.35905	2.1
235.08272	8.6
235.13266	1.9
236.10510	3.1
237.11316	5.1
245.15402	2.2
245.19089	18.3
251.12988	4.7
253.09216	22.9
261.18518	6.1
265.71750	1.9
271.17059	4.6
277.18030	5.6
279.19623	2.5
285.14951	2.0
287.16583	17.3
289.18097	68.7
290.18265	3.2
291.19678	7.4
293.21286	3.4
303.16107	10.3
305.17578	75.2
306.17761	2.8
307.19135	56.3
308.19440	4.4
309.20654	9.5
312.91754	1.8
321.16959	4.9
323.18741	20.5
323.22281	4.5
333.20532	2.4
341.23273	6.6
361.24103	2.8
409.23892	2.8
427.24734	3.0
461.20294	2.5
523.25275	5.5
525.26917	5.6
541.26575	26.3
542.26898	2.6
543.27728	4.2
545.29443	2.0
557.26080	3.6
559.27258	5.9
595.36102	3.2
627.30670	2.0
671.41296	3.2
672.83997	1.9
705.34760	10.1
707.36475	2.6
717.39447	2.3
721.37885	6.9
723.39801	3.0
733.37994	2.6
735.39343	5.2
751.38794	13.9
762.37927	7.5
780.39404	10.6
781.39880	2.0
813.44263	22.8
814.44897	2.3
831.45349	99.2
832.45355	19.2
849.46619	42.2
850.46667	10.3
885.43445	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	884.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.2
70.25694	0.1
70.26083	0.2
71.01405	0.1
72.76425	0.1
79.95750	0.1
80.96513	0.2
116.92892	0.2
181.42766	0.1
189.91226	0.1
209.11870	0.1
223.24609	0.1
277.21829	0.1
291.19846	0.1
292.19922	0.1
293.21259	0.1
294.21481	0.1
309.20670	0.1
310.21243	0.1
355.25049	0.1
501.43903	0.1
581.37628	0.1
581.68121	0.1
625.11298	0.1
655.81964	0.1
685.87903	0.1
885.46442	0.3
892.08545	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	885.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.9
66.48145	0.1
71.01389	0.2
71.51904	0.3
73.02942	1.0
74.17617	0.1
89.02409	0.2
99.00887	0.2
99.92581	11.1
100.92603	0.5
114.93433	0.7
116.92862	100.0
117.01933	1.4
117.92867	3.8
126.90529	0.7
169.08466	0.2
171.10144	0.8
187.73448	0.1
197.11801	0.3
201.11270	0.2
209.11739	0.7
253.09320	0.4
289.18051	0.2
291.19772	0.1
305.17523	0.3
307.19165	0.4
309.20599	0.3
312.15860	0.2
325.20050	0.2
327.21759	0.2
341.23386	0.8
775.73071	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.38911	0.2
68.32366	0.2
71.01398	0.6
71.06374	0.4
78.95869	0.2
79.95757	0.3
80.96507	0.9
85.02973	0.2
87.00886	0.2
89.02493	0.3
101.02452	0.2
113.02460	0.2
116.92862	1.4
117.92894	0.5
122.39671	0.2
125.09769	0.5
126.90479	0.2
134.89450	0.2
137.36496	0.2
171.10359	0.2
197.11864	0.4
207.10252	0.2
209.11874	0.6
225.00935	0.3
225.11406	0.3
253.09290	0.4
277.21729	1.0
278.22504	0.2
291.19791	0.7
292.19879	0.2
293.21414	0.3
305.17496	0.4
309.20740	0.4
310.21130	0.2
323.22339	0.3
326.11295	0.2
327.21899	0.5
341.23563	0.3
355.25253	0.3
356.25568	0.2
397.13437	0.2
438.85507	0.2
583.47913	0.2
830.44696	0.5
848.45703	0.5
884.46741	0.6
885.46503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98520	0.1
63.99257	0.1
69.18746	0.1
69.19152	0.7
70.21946	0.1
71.01419	0.1
78.95920	0.1
79.95736	0.2
80.96503	0.5
82.54216	0.1
101.02488	0.1
120.54443	0.1
136.61592	0.1
157.44467	0.1
164.98709	0.1
170.30899	0.1
197.11816	0.1
209.11823	0.1
220.65511	0.1
225.00739	0.1
253.09277	0.1
277.21756	0.5
278.22095	0.1
291.19885	0.1
293.21320	0.1
309.20670	0.1
327.21835	0.2
328.22003	0.1
440.93616	0.1
559.66125	0.1
726.15173	0.1
810.49280	0.3
811.50598	0.1
884.47662	0.1
885.46765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98518	0.1
67.64827	0.1
82.20036	0.1
85.35600	0.1
99.29208	0.1
107.60809	0.1
173.85989	0.1
183.08337	0.1
203.94513	0.1
262.72168	0.1
277.21869	0.1
282.84479	0.1
325.82843	0.1
456.16766	0.1
789.82843	0.1
885.46765	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98517	0.1
76.71059	0.1
79.26022	0.1
80.96532	0.1
84.48194	0.1
98.20676	0.2
173.68863	0.1
193.31129	0.1
229.20235	0.1
278.22137	0.1
382.65225	0.1
440.21552	0.1
640.72784	0.1
885.47736	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98538	0.3
63.99247	0.2
70.57417	0.5
78.91888	0.3
79.95732	0.2
80.96527	0.4
87.74199	0.2
94.98078	0.2
114.27973	0.1
160.15839	0.2
163.16783	0.1
182.88277	0.2
192.87318	0.1
399.96243	0.2
747.93402	0.1
826.01202	0.2
827.49219	0.2
884.46674	0.5
885.47498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98538	0.3
63.99247	0.2
70.57417	0.5
78.91888	0.3
79.95732	0.2
80.96527	0.4
87.74199	0.2
94.98078	0.2
114.27973	0.1
160.15839	0.2
163.16783	0.1
182.88277	0.2
192.87318	0.1
399.96243	0.2
747.93402	0.1
826.01202	0.2
827.49219	0.2
884.46674	0.5
885.47498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.03460	0.4
71.01378	2.1
71.31750	0.4
73.02941	0.5
80.96523	0.5
81.62471	0.2
83.01400	0.4
83.05001	0.2
85.02947	3.8
87.00897	0.4
89.02444	1.7
97.02962	1.0
97.06596	1.1
101.02439	2.0
108.65533	0.2
113.02440	1.2
114.75153	0.2
119.03507	0.6
119.08649	0.3
125.02443	0.3
125.09721	0.4
127.11321	0.5
129.54483	0.2
137.09726	1.3
143.03517	0.3
155.10730	0.6
161.04553	1.4
165.12849	0.4
167.14275	0.4
171.10265	13.2
172.10622	0.4
179.05608	0.5
183.13882	1.2
185.11874	0.5
193.12216	0.3
197.11726	0.4
201.11331	0.6
209.11832	0.8
211.13399	5.6
221.11800	1.1
225.11192	0.2
227.12956	0.4
229.14421	5.0
230.14746	0.3
235.08194	3.7
239.12907	1.1
253.09268	12.6
254.09607	0.6
277.21713	28.5
278.22043	1.7
291.19678	3.0
292.19897	0.3
293.21408	0.4
309.20700	9.5
310.20984	0.6
327.21747	38.6
328.22150	2.1
406.78781	0.3
481.23105	0.3
513.30292	0.7
527.29016	0.3
545.29663	4.5
546.30078	0.5
563.30603	5.1
564.30945	0.4
587.43060	1.5
588.43896	0.3
823.52252	0.7
883.44141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	43.9
62.17659	2.4
69.03455	3.3
70.18661	1.9
71.01380	25.4
73.02946	10.3
83.05048	11.5
85.02948	13.0
87.00893	4.8
88.98819	5.3
89.02442	11.8
93.03468	2.4
95.05045	7.0
96.96025	7.4
97.02934	5.8
97.06586	13.5
97.07124	2.4
98.03754	5.2
99.00883	5.8
99.04520	2.5
101.02449	20.6
101.95618	2.2
107.05006	5.0
109.02962	2.6
109.06622	5.0
111.00863	3.3
111.08151	4.5
113.02435	12.0
113.06117	2.8
115.07719	2.6
116.92852	12.0
121.02887	3.1
121.06638	3.4
122.03763	2.8
123.08183	7.0
125.02438	3.6
125.06072	7.9
125.09740	33.3
126.90522	11.1
127.07654	5.3
127.11253	6.0
133.06604	3.9
134.75223	2.2
135.08174	6.0
136.05330	3.3
137.09717	5.5
139.07655	25.6
141.05519	4.0
141.09216	3.8
143.07101	5.2
149.06082	5.6
151.04073	2.5
151.07664	15.7
151.11244	3.6
153.05458	2.3
153.09198	20.2
155.10738	9.8
156.46605	2.5
161.04518	4.7
163.11292	10.8
165.09207	2.4
165.12825	4.7
169.08743	5.0
171.10265	58.7
174.06740	3.0
176.08160	2.7
177.04111	3.4
177.05562	50.8
178.10048	2.9
179.10736	2.5
181.08752	4.5
181.12306	4.4
185.11792	16.1
187.09790	4.1
191.10754	5.9
193.12349	2.8
197.11865	21.0
199.09749	53.2
199.13412	2.7
201.09583	3.6
201.11330	41.7
207.10263	15.7
209.11824	100.0
210.12155	4.4
211.13426	4.1
213.11298	7.2
225.11374	11.9
225.15001	5.3
234.51405	2.2
235.08109	12.9
237.11310	4.2
237.15048	2.5
238.12215	3.3
241.14381	2.8
245.19124	2.7
253.09248	26.9
277.18033	9.8
279.15994	4.0
285.14932	7.9
287.16449	9.0
289.18155	16.5
295.18967	3.7
303.16046	36.2
305.17572	45.4
306.17914	3.8
307.15634	3.4
307.19141	65.9
308.19504	5.7
309.20758	4.1
311.59290	2.1
317.17419	3.0
321.17035	28.7
322.17343	2.9
323.18719	10.5
323.21985	2.7
325.20218	23.2
326.20609	2.4
341.23264	28.8
407.18820	2.7
435.18903	6.4
471.27255	3.0
493.18549	2.6
523.25055	2.8
541.26465	20.2
543.27838	12.5
557.26007	23.6
558.26007	2.9
559.27496	4.4
561.29340	3.1
656.30908	3.5
707.36517	14.2
722.28900	2.5
725.37421	39.6
726.37646	4.5
743.38397	20.1
744.39404	4.6
750.37549	3.2
778.35229	3.1
779.38605	3.2
785.41522	3.9
796.39221	5.2
829.43457	4.8
847.44836	12.9
865.47888	28.9
866.47626	7.3
883.47803	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	883.425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
65.85756	0.6
71.01382	4.5
80.96530	1.1
81.03484	0.8
85.02969	1.2
87.00884	0.9
89.02456	1.7
95.05042	0.6
96.65143	0.7
96.96021	1.0
97.02930	1.0
97.06577	3.2
99.00888	1.1
99.25512	0.6
99.92603	0.8
100.90817	0.6
101.02452	3.2
109.06618	0.9
110.71935	0.6
113.02472	1.8
113.06110	1.6
116.92865	8.3
121.02954	1.0
123.08176	1.5
125.09721	7.7
128.09993	0.6
135.08183	0.9
139.07610	1.1
147.04457	0.7
153.09138	0.6
161.04652	1.1
163.11305	1.3
171.10284	1.7
177.05600	1.3
181.12303	1.0
185.11845	4.5
187.09824	3.7
191.10796	0.7
193.12343	0.8
197.11896	1.8
207.10205	3.5
209.11826	5.6
211.13309	1.1
212.13776	0.8
223.13420	1.1
225.11369	3.2
225.14977	1.3
227.00879	0.7
235.08273	1.9
243.17657	1.1
247.20860	0.8
253.09271	4.7
261.18607	0.7
277.21771	4.6
287.16721	1.8
291.19644	3.7
293.21368	2.2
303.16211	2.0
305.17609	6.2
307.19217	0.9
309.20877	5.5
321.17468	0.7
323.19089	0.8
323.22247	4.0
327.21866	2.4
341.23099	3.5
345.20853	1.8
352.16696	0.7
355.21133	0.6
355.24896	3.3
356.25003	0.8
397.13528	1.0
405.17624	1.4
541.26660	1.4
703.36902	1.2
705.35138	1.2
719.36792	2.5
721.37598	5.0
733.38300	3.6
749.37231	3.3
751.38983	1.1
760.37158	1.7
778.38275	2.9
779.37360	1.0
811.43286	2.0
829.43823	9.1
830.44922	2.2
847.44800	12.7
848.46332	1.9
883.45605	5.3
884.46204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98522	0.2
71.40365	0.3
79.95748	0.2
80.96516	1.1
88.94292	0.1
104.11157	0.1
132.88110	0.1
147.08656	0.1
294.21689	0.2
820.74445	0.1
844.48468	0.2
882.49164	0.2
883.45813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.24481	0.1
62.98540	0.1
79.95734	0.1
80.96520	0.4
102.02824	0.1
136.64392	0.1
174.43817	0.1
277.21829	0.1
410.40524	0.1
752.33984	0.1
882.50305	0.2
883.44861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.05892	0.1
62.98536	0.1
69.78584	0.2
71.72874	0.1
76.91870	0.1
90.11074	0.1
198.98637	0.1
200.56590	0.1
220.61198	0.1
277.21844	0.1
279.23093	0.1
434.64639	0.1
592.33130	0.1
778.33765	0.1
882.50446	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.03451	0.3
70.24141	0.3
70.24489	0.7
71.01377	2.5
72.01749	0.2
73.02952	0.4
83.01391	0.4
85.02953	1.2
87.00887	0.6
89.02428	1.9
95.01366	0.2
95.05008	0.2
95.18456	0.2
97.02992	0.3
98.19999	0.3
101.02450	2.1
113.02461	1.3
116.92818	0.4
119.03470	0.6
125.02455	0.4
125.09709	0.2
134.15614	0.2
143.03476	0.3
161.04597	0.6
167.10822	0.3
171.10321	0.6
179.05585	0.6
183.14024	0.2
185.68835	0.2
195.13954	1.2
196.14240	0.3
197.11836	0.2
205.12286	1.2
209.11925	0.3
211.13370	0.4
221.06758	0.4
223.13383	10.4
224.13770	3.8
235.08197	1.6
241.14476	0.3
253.09277	1.4
277.21710	9.5
278.22015	2.7
293.21271	0.3
307.22806	0.6
309.20642	0.5
327.21753	2.5
379.12393	0.5
380.12756	0.4
397.13507	3.8
398.13715	1.7
415.14755	0.9
416.15173	0.4
458.96667	0.3
513.30737	0.4
603.26788	0.5
604.27307	0.6
621.27618	1.0
622.27869	1.4
882.50989	0.5
883.45496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98542	0.1
70.99403	0.1
80.96527	0.1
83.65131	0.1
118.91434	0.1
247.12479	0.1
284.67178	0.1
404.94177	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	880.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01374	0.4
79.45137	0.1
89.02465	0.2
101.02477	0.2
111.08184	0.3
128.51157	0.1
171.10323	0.2
186.07016	0.1
195.13943	0.2
197.11815	1.7
197.13365	0.2
211.13499	0.5
223.13441	0.2
229.30576	0.2
253.09279	1.4
275.20236	0.2
277.21893	0.4
289.18085	0.4
291.19672	1.7
292.19928	0.7
293.21219	3.5
293.24429	0.2
294.21686	0.2
307.19284	0.2
309.20712	2.6
310.21143	0.4
620.55963	0.2
711.36328	0.1
820.50159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	11.0
69.03468	0.7
69.80251	2.1
71.01380	4.1
73.02956	1.2
73.22735	0.5
80.02699	0.6
83.05049	0.6
85.02972	1.1
85.72039	0.5
87.00884	1.1
89.02412	2.8
95.04993	0.5
97.03004	0.7
97.06613	0.6
98.19825	0.5
101.02454	3.0
111.08179	1.3
113.02473	2.4
116.92862	2.5
119.03503	0.7
121.06544	0.6
123.08170	0.7
125.06173	0.8
125.09750	1.1
126.90517	0.8
149.23734	0.5
161.04588	1.2
163.11259	2.6
165.12851	5.4
169.08669	0.5
171.10309	1.2
176.11914	0.5
177.12910	0.7
179.05661	0.7
179.14420	2.1
181.12358	2.1
193.16008	1.9
195.13887	5.6
197.11861	1.2
201.11365	0.7
209.11775	1.1
223.13359	6.0
228.13631	0.5
235.08232	2.5
235.13425	0.6
247.20648	6.3
250.52327	0.6
253.09279	19.5
254.09541	0.6
256.13165	0.5
272.75690	0.5
273.18463	2.2
275.20145	4.6
289.17883	0.6
291.19650	90.1
292.19952	5.9
293.21222	74.9
294.21579	5.1
309.20694	100.0
310.21011	6.8
348.61945	0.5
527.28540	4.4
529.30042	1.0
545.29626	2.5
585.41455	1.1
752.43298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	2.7
63.70871	1.0
63.96219	2.1
69.62336	2.2
69.62746	4.7
71.01382	10.3
73.02937	2.1
78.95905	3.1
78.98583	7.2
79.95736	33.7
80.96517	98.0
81.03444	1.9
85.02954	3.3
87.00868	3.2
94.98086	20.9
96.96022	2.6
97.02946	3.2
101.02451	3.5
106.98093	5.0
113.02416	1.4
122.97576	4.4
125.02446	3.6
134.97580	5.5
136.99126	2.3
148.99161	7.7
152.98625	9.2
161.04485	1.3
164.98615	14.3
206.99654	3.5
213.50018	1.2
222.61658	1.3
225.00726	25.6
253.09267	2.3
255.23238	2.9
277.21628	2.1
279.23285	20.3
280.23630	1.6
291.19684	9.4
309.20654	17.4
537.27521	2.5
545.29987	1.5
716.05359	1.1
861.47375	3.3
879.51117	100.0
880.51624	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	875.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71774	2.3
61.98832	15.6
71.01389	6.0
76.84959	2.5
80.68053	2.4
82.36051	2.6
98.19887	8.2
101.02424	3.8
113.02402	3.0
116.92866	10.1
134.89487	60.9
135.89481	4.0
171.10283	7.6
174.18958	3.1
195.13863	2.8
196.79814	2.6
211.13298	6.2
229.29596	3.0
235.08232	10.4
253.09291	43.2
254.09439	2.9
291.19589	3.8
293.21216	100.0
294.21469	8.0
309.20642	7.7
327.21762	78.3
327.24979	2.1
328.22229	3.3
492.22198	2.8
529.30109	14.4
545.29657	10.1
563.31018	15.6
603.42529	7.8
711.38647	2.9
839.51544	14.0
840.52887	3.5
849.65381	2.8
849.82104	2.8
875.49310	64.3
876.49854	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	875.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	86.4
64.37054	28.2
66.03833	29.9
70.78895	64.0
74.38354	30.0
110.45861	30.9
226.10994	38.3
235.08266	41.3
277.21616	56.4
289.17889	38.0
346.19467	34.2
385.98242	31.1
397.31970	32.5
543.02246	30.6
728.16809	36.9
833.54999	46.5
875.44855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	32.4
63.73225	11.7
70.36345	40.9
86.70529	13.7
109.29250	13.0
124.68457	13.3
145.32188	13.6
158.60548	13.7
235.08218	17.5
253.09174	21.8
277.21686	100.0
289.17996	50.6
307.19263	24.8
330.22781	14.7
370.03925	14.8
875.45215	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	873.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.4
69.03454	1.6
69.18526	0.2
70.77273	0.3
70.77650	0.2
71.01382	2.6
71.05046	0.2
72.99289	0.2
73.02950	0.6
81.03462	0.2
83.01397	0.4
83.05041	0.5
84.02170	0.4
85.02950	8.2
86.03300	0.2
87.00863	0.4
89.02445	2.1
91.19760	0.2
93.03472	0.2
95.05040	0.5
96.96030	0.2
97.02953	1.4
97.06602	2.1
101.02449	3.1
110.03727	0.2
111.04622	0.2
113.02445	1.3
114.93369	0.2
116.92864	0.4
119.03516	0.5
119.08669	0.6
123.08187	0.3
125.06091	0.2
125.09742	1.1
127.11278	1.4
127.60601	0.2
137.09698	2.1
140.58852	0.1
143.03488	0.5
155.10789	0.8
155.14429	0.2
160.77516	0.1
161.04556	1.4
165.12836	0.4
167.14392	0.5
171.10271	25.3
172.10666	0.8
177.12839	0.6
179.05571	0.4
181.12344	0.2
183.13919	2.7
185.11819	0.6
193.12326	0.9
195.13965	0.4
197.11867	0.4
199.13411	0.3
201.11310	1.3
203.10786	0.3
209.11807	1.4
211.13385	11.7
212.13782	0.5
221.11835	2.2
227.12834	0.5
229.14436	8.6
230.14740	0.2
235.08194	1.3
239.12833	1.4
247.20612	0.2
253.09282	17.3
254.09639	0.7
291.19650	3.1
292.20029	0.3
307.19110	0.2
309.20676	2.4
325.20291	0.2
327.21759	100.0
328.22104	6.9
401.25476	0.3
451.88394	0.2
468.14264	0.2
545.29462	0.4
563.30743	10.0
564.30920	1.3
584.81854	0.2
619.42072	0.4
637.43170	3.3
638.43463	0.6
687.20984	0.2
703.76257	0.2
873.52252	0.9
874.53052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	31.4
70.57424	20.0
74.66627	6.3
79.91979	6.8
80.22168	6.1
129.83237	6.7
147.30081	5.5
155.52837	5.5
164.54749	7.2
171.10271	57.7
185.49940	6.3
235.08205	18.2
253.09273	23.1
277.21686	100.0
323.22156	6.3
341.23254	58.2
527.44348	6.4
537.55902	6.9
664.43774	6.7
819.48895	15.4
820.50183	6.2
873.50726	49.8
874.51031	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	873.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	5.9
69.21833	3.6
69.22253	7.6
71.01373	3.1
81.03947	1.2
88.86932	1.3
89.02451	1.5
98.19929	2.2
101.02438	3.5
111.08139	1.1
112.68848	1.0
116.92841	4.8
119.02276	1.0
120.95095	1.1
121.39082	1.1
136.89117	1.7
141.26123	1.1
161.04514	1.8
163.11275	1.3
165.12794	1.6
168.67305	1.4
195.13983	1.3
197.11824	6.9
209.11836	1.3
227.12854	1.3
235.08214	4.6
247.20537	1.9
253.09259	12.6
289.18054	5.4
291.19672	34.0
292.20020	3.3
293.21252	11.9
305.17667	1.7
307.19098	6.7
309.20688	100.0
310.21033	6.7
450.82330	1.7
527.28595	4.1
545.29730	12.9
669.47418	1.2
739.42181	4.3
817.48535	3.3
819.48889	4.9
835.48621	2.7
837.49780	16.9
838.49518	2.1
873.47546	34.5
874.47113	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	873.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	22.2
71.01372	7.5
82.98966	2.9
83.05051	4.2
88.14821	3.3
89.02432	9.5
92.71056	3.8
93.05138	3.2
97.06622	5.3
98.20696	6.4
101.02398	9.6
119.03463	7.3
125.06096	7.5
125.09752	4.0
153.09190	4.3
155.10574	3.9
163.11258	8.6
169.08691	14.3
171.10245	10.8
185.11798	5.3
194.45438	4.3
197.11760	14.3
199.09734	6.2
201.11269	7.7
207.10228	12.0
209.11847	69.2
225.11197	10.7
235.08305	5.5
253.09238	14.5
272.98984	4.0
277.18445	7.2
277.21710	100.0
278.22055	5.4
287.16562	9.2
291.19717	6.0
295.19110	5.0
305.17557	74.0
307.22687	4.6
309.20667	5.0
323.18546	11.1
374.64044	3.7
393.01447	3.9
468.25757	3.8
474.00665	3.3
541.26532	27.0
542.26978	6.0
721.41455	6.5
750.41980	14.7
760.32959	3.9
801.48376	16.6
819.48950	9.4
820.49554	7.4
873.49103	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	873.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	16.1
71.01376	6.4
71.50764	1.6
73.02929	1.1
74.92827	1.0
83.05011	1.7
84.32697	0.9
85.02948	2.2
87.00889	1.7
89.02433	3.0
97.06604	1.6
101.02444	5.4
103.89919	0.9
107.05019	1.7
111.00924	1.1
113.02419	2.3
113.06037	1.2
116.92825	1.3
121.02852	1.0
125.02457	1.3
125.06115	4.8
125.09718	2.4
126.90478	1.1
135.08165	1.5
139.07654	1.0
145.05078	1.5
153.09207	2.4
161.04539	2.3
163.11246	3.2
165.12834	1.1
169.08702	9.1
171.10248	7.6
176.08411	1.0
177.09161	0.9
185.11769	1.5
191.10699	2.6
197.11827	5.4
199.09717	2.9
201.11308	2.2
207.10214	4.5
209.09898	1.7
209.11804	22.9
210.12050	1.5
215.12747	1.0
225.11308	2.7
235.08252	9.2
236.10536	1.1
237.11185	1.1
253.09262	12.3
259.33682	1.4
277.21716	100.0
278.22089	6.5
287.16437	7.4
291.19351	1.1
295.19165	1.5
305.17560	32.3
306.17865	2.7
307.19113	1.4
309.20914	1.6
323.18622	4.9
384.32608	0.9
523.25757	1.9
541.26575	5.2
581.33411	0.9
721.41687	4.4
732.41321	1.3
750.42035	9.0
751.42218	1.5
801.47980	9.3
802.47937	2.0
819.48871	4.8
820.49567	2.9
873.48944	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	25.0
71.01382	10.8
71.05025	2.6
71.52158	2.4
73.02934	2.7
79.95731	1.8
80.96480	2.6
83.05018	4.1
84.02135	1.8
85.02948	6.5
87.00873	2.9
88.98796	2.0
89.02450	8.3
95.05019	2.1
96.96012	11.5
97.06558	2.7
99.00883	2.7
99.04499	2.0
99.92577	5.6
101.02444	10.6
103.92478	2.0
109.06532	2.9
111.08185	7.6
113.02443	6.6
113.06030	1.5
114.93373	2.2
115.92030	2.5
116.92853	28.3
119.03487	3.6
125.06027	2.6
125.09715	3.9
126.90400	2.3
127.07637	4.9
135.08095	3.2
136.53568	1.6
153.09198	7.0
161.04555	4.8
163.11255	3.3
164.90439	1.6
165.12926	1.9
169.12323	4.8
171.10265	32.8
178.09846	2.2
179.05669	3.4
179.10696	1.7
181.12364	4.7
185.11780	6.1
190.04478	1.9
193.12393	2.4
197.11824	57.3
198.12036	2.1
199.13364	10.3
209.09929	3.6
209.11819	59.8
210.12221	4.7
211.13374	10.8
215.12918	2.0
227.12878	7.3
229.14359	4.4
235.08174	11.3
236.10674	2.0
245.18985	3.5
253.09261	33.2
254.09566	1.8
263.20117	3.2
289.18143	12.2
291.19641	7.8
297.20758	2.0
307.19131	76.7
308.19394	7.1
309.20694	19.4
325.20184	44.8
326.20529	7.2
327.21753	100.0
328.22110	7.0
343.21140	7.3
372.75943	1.7
543.28082	24.9
544.28394	1.8
545.29736	5.5
561.29089	8.4
562.29242	1.9
563.30865	8.4
563.38892	1.7
773.43561	1.8
784.41962	3.8
853.50012	14.0
854.49860	2.4
871.34344	2.8
871.50049	7.2
872.49261	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	871.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	2.5
67.82587	0.4
69.03440	2.2
69.74440	0.4
69.85397	1.2
69.85778	0.8
71.01380	8.2
71.05025	1.3
72.99312	0.5
73.02953	2.1
80.02683	1.4
81.03469	1.6
83.01396	1.2
83.05025	4.3
84.02188	1.0
85.02952	11.1
87.00875	1.1
89.02439	5.3
91.04050	0.4
93.03474	0.4
95.01405	0.8
95.05014	2.2
96.96008	0.6
97.02946	2.1
97.06593	4.3
99.00854	0.5
99.04547	0.8
99.08140	0.4
101.02441	6.9
109.02952	0.6
109.06639	0.9
111.04560	0.6
111.08168	0.7
112.05318	1.0
113.02457	3.7
115.07648	1.1
116.92849	1.1
119.03523	1.9
119.08687	0.4
123.04557	0.9
123.08184	0.8
125.06081	0.8
125.09704	4.3
126.90524	1.1
127.07681	2.1
127.08444	0.4
127.11266	2.5
131.03464	0.5
135.08160	1.8
137.09712	3.0
139.11279	0.4
141.09215	0.5
143.03423	0.6
145.05038	0.5
145.56041	0.4
153.09212	10.3
155.10773	1.9
155.14442	0.4
160.65273	0.4
161.04568	3.5
163.11243	3.1
165.12877	2.0
167.14362	0.8
171.10265	46.0
172.10634	1.7
177.12848	0.6
178.10068	2.3
179.05609	1.2
179.10835	0.7
181.12350	1.1
183.13943	3.0
185.11858	5.3
191.10802	1.4
191.14452	1.4
193.12299	1.4
195.13968	0.5
197.11859	7.4
201.11314	1.7
203.10748	0.5
207.10233	0.5
209.11816	44.9
210.12154	2.6
211.13370	13.9
212.13675	0.5
219.13971	0.6
221.11781	3.2
227.12834	1.9
229.14426	10.8
230.14777	0.5
235.08217	7.4
237.11324	0.4
238.12112	1.6
239.12880	1.6
245.19023	2.2
251.16486	0.4
253.09270	22.9
254.09558	0.9
263.20206	1.2
279.19601	1.5
289.18097	10.6
290.18466	0.8
291.19641	4.8
297.20703	1.2
305.17926	0.5
307.19144	59.7
308.19373	4.1
309.20682	6.1
310.21005	0.7
325.20184	27.6
326.20486	1.8
327.21753	100.0
328.22119	8.4
407.19189	1.3
474.21121	1.2
525.26794	1.8
543.28101	18.0
544.28351	2.2
545.29718	2.6
561.29309	4.3
562.29419	0.6
563.30743	7.8
564.30945	1.3
617.40582	1.5
635.41760	0.6
717.41052	0.8
784.42346	4.3
853.49536	19.5
854.50018	4.3
871.50769	7.2
872.50360	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	871.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47573	0.3
61.98830	0.9
69.03441	0.7
71.01379	3.8
71.05019	1.2
72.02161	0.6
73.02960	0.5
75.88602	0.3
78.95905	0.6
80.02689	0.8
81.03473	0.9
83.05027	3.7
84.02178	2.3
85.02964	1.2
89.02439	0.6
95.05016	1.2
96.96016	6.0
96.96968	0.8
97.02937	0.6
97.06595	1.5
98.03704	0.5
99.04526	0.8
99.08154	2.3
101.02427	0.6
106.04250	0.3
109.06610	1.0
111.08174	0.9
112.05320	0.6
113.09731	0.5
115.07667	1.8
116.92870	1.2
118.34100	0.3
123.04527	0.5
123.08176	0.6
125.06109	0.5
125.09729	3.6
127.07661	9.7
127.11314	0.4
129.45793	0.3
135.04527	0.3
135.08177	1.2
137.09709	1.4
138.06856	0.4
139.07651	2.9
141.09225	1.2
141.12871	0.7
151.11267	0.3
153.08069	0.6
153.09213	7.2
153.12836	0.6
155.10760	2.0
163.11287	3.1
165.12843	2.8
166.66043	0.3
171.10280	9.0
178.09990	2.6
178.53581	0.3
179.10760	0.4
180.11555	0.3
181.12321	0.6
185.11839	13.4
186.12193	0.4
191.10826	1.4
191.14471	1.6
197.11833	12.7
198.12189	0.5
207.10216	1.1
209.11830	54.9
210.12164	2.9
211.13458	0.6
219.10237	0.4
219.13965	0.3
227.12836	0.8
236.10506	1.0
237.11371	0.5
238.12096	4.3
239.12515	0.4
239.16560	0.6
245.19139	3.5
247.20712	0.9
251.16571	0.6
253.09224	3.7
253.18176	0.7
255.12263	0.5
256.13220	2.4
263.20197	1.5
265.18051	0.8
271.17032	0.5
279.19647	1.9
281.21295	0.6
287.16510	0.3
289.18124	8.1
291.19659	11.5
292.19943	0.7
297.20712	0.8
307.19144	78.4
308.19492	6.5
309.20706	13.3
310.21075	0.8
325.20187	100.0
326.20560	7.7
421.17737	0.3
527.28290	0.7
545.29688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	18.2
63.46935	1.3
66.83044	1.1
69.03437	1.6
71.01380	11.5
71.05016	1.4
71.51762	1.8
72.99287	2.2
73.02924	1.9
80.02657	1.5
80.05257	1.1
80.12735	1.2
83.05015	6.0
84.02154	2.2
85.02958	6.7
87.00872	4.1
88.98802	1.9
89.02459	7.0
95.05026	1.8
96.96020	1.6
97.06575	4.2
99.92572	4.6
101.02441	10.7
107.72758	1.2
111.08162	8.4
113.02447	5.4
116.92867	43.1
117.92844	2.3
119.03488	1.8
127.07658	1.5
134.89438	2.0
143.03546	1.1
148.55119	1.2
151.11249	2.7
153.09163	1.6
161.04556	4.5
163.11267	5.3
165.12828	5.2
169.12325	5.2
171.10274	23.5
172.10629	1.7
177.12741	1.4
179.05644	3.0
181.12355	2.8
183.13831	2.4
185.11768	2.0
191.10805	1.5
195.13869	1.7
197.11833	43.7
198.12045	1.8
199.13420	2.9
201.11339	1.6
204.08368	1.2
209.11827	100.0
210.12119	4.8
211.13396	12.2
227.12874	19.1
229.14371	5.4
235.08244	8.5
245.19016	2.6
251.48169	1.4
253.09291	30.8
254.09689	1.8
263.20163	2.9
264.20181	1.2
289.17950	5.6
291.19656	16.4
292.20004	3.3
293.21176	8.5
305.17529	1.9
307.19122	15.7
308.19434	1.4
309.20709	44.7
310.21051	5.8
327.21777	39.0
328.22159	4.8
341.23270	2.0
543.27643	2.1
871.02545	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	871.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	35.2
69.03452	2.5
69.92065	4.4
71.01382	19.1
71.05027	1.4
73.02924	4.9
79.95735	1.7
80.02686	1.8
80.28040	1.4
81.03454	3.0
83.01385	2.9
83.05019	9.5
85.02956	9.6
87.00881	4.5
88.94857	1.5
89.02449	11.4
91.04004	1.3
95.01337	2.0
95.05006	1.8
96.96000	4.1
97.02943	3.5
97.06582	6.4
99.92590	2.5
101.02448	14.1
109.06605	3.2
111.08163	4.3
113.02444	7.9
114.93413	9.8
116.92857	22.1
119.03484	4.4
123.08107	2.1
125.02412	1.7
125.06059	2.7
125.09756	7.7
127.07649	4.0
127.11269	5.6
135.08165	3.0
137.09683	2.6
141.09192	2.4
142.73166	1.7
145.05055	1.9
153.09215	9.0
155.10748	5.6
161.04538	6.4
163.11295	9.9
165.09210	2.6
165.12872	9.4
167.10776	1.7
169.12323	2.0
171.10266	86.8
172.10567	3.6
179.05566	1.9
179.10773	1.9
181.12338	4.5
181.73817	1.4
183.10262	1.7
183.13857	3.4
185.11787	7.8
191.14256	1.4
193.12112	1.5
195.13966	2.0
197.11813	15.2
199.13406	1.6
201.09555	2.2
201.11331	26.7
202.11543	1.6
207.10181	2.7
209.11823	99.4
210.12173	3.6
211.13403	23.4
212.13728	1.6
215.12865	3.2
221.11687	3.5
223.13438	3.3
225.11319	1.9
227.12918	11.4
229.14445	15.4
235.08228	17.3
239.12816	4.3
245.19014	5.3
247.20613	6.4
253.09291	47.3
254.09531	2.4
263.20135	4.4
273.18503	1.9
275.20013	1.5
281.21176	1.8
289.18085	12.2
291.19659	58.2
292.20010	4.4
293.21295	12.4
300.81577	1.7
305.17563	5.1
307.19144	31.9
308.19382	2.7
309.20694	69.1
310.21149	8.5
323.18726	1.9
325.20248	9.0
326.20648	1.6
327.21765	100.0
328.22144	8.7
329.22906	2.8
343.21249	3.5
377.18146	2.1
407.19046	1.9
543.28131	5.8
545.29724	3.5
563.30444	3.2
600.24542	1.4
853.49365	3.5
855.69946	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	871.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41895	1.5
61.98831	54.9
63.96232	3.0
66.63290	1.3
71.01392	7.4
71.51351	1.9
78.95898	5.0
78.98600	9.2
79.95741	19.8
80.03444	1.5
80.96520	92.7
81.03479	1.5
82.96092	2.9
85.02947	4.0
87.00883	3.4
94.98094	23.7
97.02946	2.1
101.02418	3.4
106.98093	5.8
116.92896	1.4
122.97556	3.8
125.02428	3.4
134.97566	7.5
136.99174	2.7
148.99135	6.9
152.98640	7.2
164.98628	13.0
171.51540	1.3
196.89410	2.6
206.99640	2.8
225.00752	21.7
249.76581	1.3
255.23260	4.1
281.42874	1.4
336.75952	1.6
374.76389	1.4
551.01636	1.7
591.23785	2.4
644.66614	1.6
723.14105	1.5
867.15015	1.9
871.48761	100.0
872.49310	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	871.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	2.2
70.36733	3.4
71.01387	5.9
71.04401	0.9
81.51331	0.9
83.05022	1.3
85.02953	0.9
85.43803	0.9
88.98743	0.8
89.02406	4.6
95.05002	1.2
97.02943	1.1
101.02424	6.2
111.08213	1.0
111.25867	1.2
113.02441	3.6
116.92877	6.5
123.04490	2.2
123.08121	1.1
125.09700	3.9
127.07643	1.0
137.09673	1.4
141.12900	1.1
161.04547	3.3
161.09624	0.9
163.11359	5.6
165.09206	1.0
165.12831	3.3
171.10283	6.5
179.05653	1.1
179.14514	1.1
181.12349	1.6
185.11806	6.3
185.72231	1.0
191.14444	6.4
193.15910	1.3
207.10153	1.6
209.11794	2.1
223.13521	1.2
225.11310	2.1
235.08183	3.8
237.11337	3.7
241.14398	1.4
245.19070	12.5
247.20619	5.6
253.09286	19.9
263.20294	1.2
271.17282	1.8
273.18430	1.4
289.18106	57.9
290.18381	3.5
291.19650	65.7
292.20016	5.8
293.21072	2.7
294.21619	1.4
307.13959	1.3
307.19144	67.7
308.19434	5.8
309.20697	100.0
310.21017	6.4
341.23511	1.2
427.28250	1.5
525.26904	5.5
527.28522	3.1
543.28418	1.8
545.29510	1.4
709.37982	1.0
766.41547	1.8
799.46442	1.3
817.47394	8.1
818.47314	1.1
835.48718	8.8
871.46124	10.1
872.46851	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	4.2
69.03453	0.7
70.36195	0.8
70.36594	0.9
71.01380	6.4
72.99357	0.5
73.02942	1.1
75.00845	0.4
76.30933	0.4
79.34671	0.4
81.03454	1.8
83.01387	6.0
83.05041	0.8
84.02185	1.0
85.02945	1.5
87.00885	1.1
89.02438	4.8
93.53160	0.5
95.01393	0.6
95.05042	0.7
97.02956	0.6
97.06597	1.6
99.04519	0.6
101.02447	5.6
105.34190	0.5
107.62568	0.5
111.08157	1.6
113.02468	2.7
113.09687	0.5
114.93485	0.5
116.92836	2.4
119.03507	1.4
121.06606	0.5
124.71350	0.4
125.09723	9.0
126.10101	0.5
126.90534	0.5
135.08142	1.0
137.09673	0.5
143.03488	0.7
145.05112	1.0
146.95888	0.4
147.11778	0.5
149.09746	0.5
153.16379	0.5
161.04570	2.5
161.05737	0.5
163.11256	2.4
165.12827	1.5
167.10725	1.1
171.10231	3.5
172.10519	0.4
179.05672	1.1
179.10837	0.6
179.14400	0.9
181.12347	1.6
185.11848	1.6
191.10753	5.9
193.12209	0.8
195.13889	9.3
197.08429	0.5
197.11821	1.8
205.12398	0.7
205.16054	0.7
207.10347	0.9
209.11824	12.3
210.12160	0.8
211.13435	2.3
223.13383	9.3
225.14946	1.1
226.12119	5.9
228.13556	1.1
231.21208	0.5
235.08241	3.3
235.86469	0.5
239.13042	2.2
240.13393	0.6
241.14442	60.7
242.14775	3.1
247.20636	0.6
253.09276	21.6
256.13153	2.0
275.20135	7.7
276.20374	0.6
277.21689	0.7
289.18054	4.0
291.19656	10.4
292.20117	0.8
293.21216	100.0
294.21515	7.4
305.17563	1.5
307.19208	0.9
307.22687	0.5
309.20633	3.2
321.20670	9.6
322.21063	0.9
323.22278	1.1
327.21741	0.6
341.23322	8.9
342.23611	0.9
357.22726	0.6
402.59692	0.6
477.23746	0.7
527.28571	0.6
529.30804	0.6
625.49109	0.5
698.62341	0.6
833.47345	0.6
869.45862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	6.5
69.03450	1.5
71.01380	13.6
71.04999	1.5
72.02163	2.5
72.99282	0.9
73.02938	4.6
75.00867	2.6
78.37448	0.6
80.02662	1.2
81.03450	2.1
83.01386	2.0
83.05010	3.5
84.02166	3.3
85.02950	4.9
87.00874	2.2
89.02449	7.7
95.01368	1.5
95.05008	4.7
96.95998	1.5
97.02941	1.9
97.06585	14.3
97.22508	0.7
98.03696	1.3
98.20055	4.4
98.20741	1.6
99.00871	8.6
99.92562	1.2
100.01683	1.0
101.02440	8.7
103.00368	2.8
107.05024	3.0
109.06600	2.6
110.03716	1.2
111.00868	1.4
111.08155	2.0
113.02451	4.0
114.93401	2.0
116.92852	8.8
117.92870	1.3
118.92760	0.8
119.03540	1.3
121.02937	1.3
121.06597	1.4
123.04518	0.8
123.08150	4.2
125.02428	1.1
125.06081	34.7
125.09700	8.2
126.06454	1.2
127.07620	3.8
127.11307	4.1
133.06592	1.0
135.08145	2.7
137.09706	1.7
139.07652	7.2
139.11261	1.7
141.09209	9.5
141.12839	1.2
143.03467	0.8
145.05026	1.2
151.07654	3.0
153.09207	12.0
153.12790	1.3
155.10747	3.7
161.04568	4.7
161.09723	0.9
163.11299	7.0
165.09183	2.7
165.12860	6.4
169.08696	49.3
169.12355	1.9
170.09070	1.6
171.10257	58.7
172.10547	2.0
177.12836	0.8
178.09906	0.9
179.05600	1.3
179.14381	1.5
181.12315	5.8
183.10251	1.6
185.11876	4.8
189.12735	1.1
191.10794	1.4
191.14412	1.7
193.12311	2.0
193.15959	2.0
195.10266	0.7
197.11813	9.4
199.09692	2.4
199.13391	3.9
201.11310	65.6
202.11667	2.8
203.10803	0.8
207.10289	4.3
209.11810	34.4
210.12132	2.0
211.13377	3.2
213.11247	1.1
215.12793	1.3
217.12323	0.9
221.11769	0.8
223.13316	2.1
225.11314	8.5
225.14877	1.8
227.12912	1.7
235.08183	8.1
243.12254	1.4
245.19022	2.4
245.48277	0.7
247.20671	5.8
253.09259	29.4
254.09535	1.0
261.18634	1.4
263.20114	2.8
269.15393	0.8
273.18524	2.0
279.19650	2.1
287.16385	4.0
289.18137	7.6
291.19641	77.1
292.20050	6.5
293.21146	1.6
295.19135	0.9
305.17572	18.8
305.20712	0.8
306.17758	1.4
307.19141	31.2
308.19461	3.1
309.20682	100.0
310.21106	7.7
323.18640	3.6
323.22278	2.1
325.20197	11.4
327.21725	2.2
341.23294	29.8
342.23642	3.1
352.47275	0.8
407.19083	1.8
437.20029	1.6
461.20450	1.9
479.21179	1.0
493.31839	1.2
525.27020	1.3
527.28339	1.6
541.26440	5.0
543.28156	6.4
545.28925	1.0
559.26550	1.2
561.29089	1.4
577.32727	1.2
633.44165	0.7
679.37183	1.1
697.37799	2.0
753.40601	1.1
771.41724	5.0
772.42273	1.2
833.46606	4.4
834.47400	1.6
851.47705	5.1
852.48499	1.5
869.48810	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	869.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.9
65.03956	0.4
69.03448	0.8
71.01379	10.0
71.05016	1.6
72.02175	0.6
72.99303	0.4
73.02940	2.7
75.74435	0.3
76.99673	0.3
80.02678	1.9
81.03447	1.5
83.01384	1.4
83.05029	6.2
84.02164	1.8
85.02940	4.1
87.00882	2.1
89.02438	5.1
93.03463	0.6
95.01367	0.6
95.05016	2.3
96.96023	1.8
97.02946	0.7
97.06588	2.5
98.03716	0.4
98.95599	0.8
99.00893	1.0
99.04528	2.6
99.08156	1.0
99.92551	0.5
101.02439	8.5
106.04212	0.7
107.05022	0.7
108.02200	0.6
109.02952	0.6
109.06592	1.6
110.03780	0.5
111.00854	0.7
111.04534	0.6
111.08175	1.1
112.05326	2.0
113.02447	4.7
113.06109	0.7
113.09702	0.7
115.07660	3.0
115.92075	1.1
116.92868	1.0
119.03491	1.3
121.02978	1.1
121.06586	0.4
122.03744	0.6
123.00912	0.7
123.04520	1.4
123.08170	1.1
124.05318	0.6
125.02470	0.7
125.06062	1.6
125.09724	7.8
127.07653	6.7
127.11285	1.0
131.03482	0.4
133.06590	0.4
135.04573	0.6
135.08179	3.3
136.05322	0.6
137.09755	1.1
138.06850	0.8
139.07614	1.7
139.11266	0.5
141.01828	0.5
141.09167	2.2
141.12866	0.6
143.03569	0.6
143.07130	1.0
145.05046	1.0
145.06383	0.3
147.11737	0.7
149.09666	0.6
149.14554	0.3
151.07594	0.5
151.11249	0.7
153.09212	22.9
154.09555	0.8
155.10797	2.6
161.04576	2.7
163.11272	6.3
165.09280	0.7
165.12856	3.3
167.10826	0.5
171.10262	40.5
172.10634	1.1
178.09958	3.9
179.05624	1.1
179.10738	0.7
181.12277	1.7
183.13872	0.9
185.11824	12.2
191.10789	3.4
191.14430	2.5
193.12294	1.1
197.11833	13.2
198.12163	0.9
199.13351	0.5
201.11266	0.6
207.10245	1.4
209.11819	78.9
210.12189	3.3
211.13414	0.9
219.10262	0.6
219.13885	1.2
221.11731	1.1
223.13425	1.5
227.12904	1.4
235.08238	5.3
235.20660	0.5
236.10544	2.1
237.11256	0.7
238.12059	3.3
239.12711	1.2
239.16599	0.8
245.19095	6.1
251.16396	0.8
253.09276	10.9
253.14435	0.8
253.18097	0.5
256.05154	0.4
256.13058	0.6
261.18643	0.7
263.16687	0.4
263.20175	2.2
265.18094	0.6
271.17148	0.8
279.19641	2.3
281.21194	0.8
287.16592	0.8
289.18082	21.8
290.18344	1.8
291.19595	1.1
297.20688	2.4
298.34949	0.4
305.17535	2.8
307.19141	100.0
308.19415	7.8
309.20645	2.5
319.19168	0.9
323.18542	0.5
325.20190	42.1
326.20538	3.2
327.21805	3.7
333.20673	0.6
336.06805	0.4
337.19992	0.5
345.20782	0.5
361.23831	0.9
381.22812	0.6
387.24619	0.4
407.19144	1.4
425.26471	0.4
474.21274	1.8
525.26978	3.9
526.27368	0.5
541.26251	1.7
543.28088	26.8
544.28510	2.6
561.29248	5.3
562.29260	0.6
628.30090	0.6
629.31885	0.8
633.40656	0.4
693.39020	1.0
697.38000	3.9
698.38757	0.6
709.37689	2.1
710.39526	0.5
711.39484	0.8
715.38611	1.1
723.39459	1.3
725.41638	0.4
727.39435	2.2
728.38690	0.5
735.40076	1.2
736.40387	0.7
753.40790	1.3
754.40631	0.6
755.42566	0.9
764.40088	2.3
771.42230	0.4
782.40936	4.4
783.41235	0.9
800.42145	0.9
815.45984	1.2
833.46857	10.5
834.47253	2.4
851.47943	13.8
852.48236	3.4
869.49292	5.7
870.49634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98542	3.0
61.98831	35.3
64.39293	2.0
65.81108	2.1
66.84888	2.1
69.03451	4.3
71.01387	21.2
71.05007	5.4
71.51707	3.4
73.02946	4.5
73.53720	2.1
80.96522	4.0
81.03416	3.8
83.01381	2.9
83.05012	8.5
84.02184	3.2
85.02943	18.3
87.00858	4.8
89.02445	16.7
93.07203	1.7
95.01405	2.3
95.05025	4.7
96.96023	9.9
97.02939	4.1
97.06577	5.9
99.00861	3.2
99.08150	2.5
99.92600	3.4
101.02434	18.5
107.05007	2.2
109.06575	5.2
111.00836	2.7
111.08167	3.0
113.02467	10.4
113.06078	4.5
115.07630	2.5
115.92101	2.3
116.92860	12.4
119.03459	3.9
121.02930	3.5
123.04500	2.1
123.08176	3.1
125.02460	3.1
125.09702	10.8
126.90479	3.6
127.07633	11.2
127.11255	2.9
135.08197	4.2
137.02371	1.9
137.09764	2.6
139.07631	2.8
143.03455	3.7
145.04965	3.3
153.09219	19.2
153.12872	12.3
155.10757	5.8
155.14406	2.6
161.04533	6.7
163.11252	7.4
165.09108	4.5
165.12831	4.9
169.08655	1.9
169.12407	2.2
171.10260	71.9
177.12810	6.2
178.09903	4.3
179.05647	3.4
179.07314	2.1
181.12314	4.0
183.13907	5.5
185.11804	7.0
191.14442	2.4
193.12279	2.2
195.13860	9.5
197.11824	37.9
199.13388	22.8
201.11348	3.1
203.10753	4.4
207.10350	5.1
209.11821	82.9
210.12143	6.3
211.13431	16.8
215.12874	18.7
221.11792	4.2
223.13380	2.5
225.11363	3.3
227.12865	42.4
229.12392	3.7
229.14424	56.3
230.14737	3.5
235.08218	17.5
235.13297	8.7
237.14964	8.4
238.11983	3.0
239.12740	5.9
245.19037	8.0
247.13336	12.9
253.09254	43.5
253.14474	2.5
261.18640	4.2
263.20224	2.9
265.14337	6.0
279.19662	3.5
281.21335	2.1
287.16464	13.3
289.18069	27.3
290.18506	4.5
291.19504	15.8
297.20633	10.9
305.17599	40.6
306.18039	3.0
307.19150	100.0
308.19467	8.2
309.20682	21.3
323.18536	5.6
325.20203	32.8
326.20471	3.2
327.21762	96.8
328.22040	8.3
341.23099	2.8
427.84564	2.0
433.20721	7.9
463.21811	5.7
525.26837	5.0
541.26556	5.2
543.28027	25.1
544.28943	2.8
561.28864	3.7
563.30804	5.0
581.29669	2.7
697.38538	3.6
723.39417	8.3
735.40063	9.8
741.40552	7.0
753.40448	22.1
755.41107	4.8
764.40222	2.6
771.41919	7.8
791.19629	2.0
811.44775	7.0
833.46454	8.0
834.45813	2.7
851.48792	9.3
852.46674	2.7
869.48016	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	869.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	21.9
70.78209	5.3
70.78553	7.4
71.01381	17.7
77.81448	3.3
85.02940	6.0
87.00874	5.5
89.02461	10.6
95.05053	5.9
101.02444	15.5
109.06567	4.8
113.02451	10.6
116.92882	30.2
119.03539	4.3
123.08144	4.0
125.09721	10.9
127.07694	5.0
135.08167	10.2
148.01598	3.7
153.09149	3.7
161.04564	4.6
163.11319	10.0
165.12804	5.1
171.10286	12.5
185.11844	9.9
197.11884	5.3
209.11845	100.0
210.12268	4.5
211.13449	9.7
227.12915	9.7
235.08241	10.7
243.17650	5.6
245.19264	5.3
247.20682	3.6
253.09308	30.0
263.20120	4.9
269.14798	3.8
275.20102	43.7
277.21719	10.4
287.16534	23.3
289.18140	11.9
291.19666	56.0
292.19934	5.3
293.21198	12.6
294.21640	4.3
305.17542	63.3
306.17963	3.9
307.19122	24.6
307.22791	24.6
309.20743	81.1
310.21033	4.8
323.48703	3.1
324.14505	4.4
327.21796	5.4
356.25229	4.3
383.96161	3.9
541.26611	4.0
764.39795	13.5
815.45691	10.3
833.47021	19.4
834.48297	4.5
869.44373	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	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98539	0.1
62.99252	0.0
71.01424	0.1
72.57908	0.1
79.95699	0.1
80.96524	0.1
98.20662	0.1
99.92594	0.1
106.70454	0.0
113.28166	0.0
116.78409	0.0
116.92861	0.9
117.92849	0.3
120.87053	0.0
121.39485	0.0
142.90985	0.0
211.13481	0.1
253.09291	0.1
275.20328	0.1
277.21829	0.1
289.18253	0.0
293.18311	0.0
293.21393	0.2
294.21518	0.2
295.21967	0.1
389.69809	0.0
471.01593	0.0
869.47845	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.1
76.04337	0.1
80.96512	0.1
98.19873	0.2
130.55577	0.1
138.41519	0.1
159.23801	0.1
167.99777	0.1
168.13161	0.1
270.68860	0.1
277.21887	0.1
278.22253	0.1
315.48218	0.1
869.48029	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98539	0.1
66.54318	0.0
73.83384	0.1
80.96498	0.1
85.80917	0.1
95.00739	0.0
98.20653	0.2
123.17462	0.1
160.77689	0.0
216.84921	0.1
220.75507	0.0
277.21658	0.1
291.19815	0.1
292.20047	0.1
309.20688	0.1
419.54089	0.1
510.29800	0.1
514.41913	0.1
869.47644	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98806	0.1
61.98829	100.0
62.98531	0.2
70.77859	0.1
80.96542	0.1
82.50842	0.1
83.16565	0.1
95.85150	0.1
101.13332	0.1
112.30151	0.1
170.04555	0.1
197.73433	0.1
230.77637	0.1
278.22000	0.1
308.07532	0.1
413.21637	0.1
466.74435	0.1
576.84344	0.1
767.38910	0.1
880.17908	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.91191	0.5
75.23360	0.1
80.96521	0.2
144.08588	0.1
176.53854	0.1
225.00946	0.1
808.53497	0.2
867.49866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75085	0.4
61.98831	16.9
69.03458	2.2
71.01386	11.6
71.05019	1.4
71.53907	0.4
72.99310	2.1
73.02942	2.6
78.95877	0.7
80.02673	2.2
80.96535	0.6
81.03455	3.6
83.01367	1.5
83.05025	7.8
84.02161	1.4
85.02939	4.3
85.78408	0.4
87.00876	3.1
88.98799	1.0
89.02444	5.4
93.03487	0.6
95.01402	1.3
95.05024	3.6
96.23336	0.5
96.96008	5.4
97.02950	3.2
97.06586	4.3
98.19860	1.0
99.00887	0.9
99.04512	1.9
99.08150	1.4
99.92583	0.6
101.02445	8.3
107.05032	4.6
108.02188	1.2
109.02948	1.3
109.06570	3.0
110.03728	1.1
111.00874	1.9
111.04559	0.5
111.08145	1.0
112.05311	0.9
113.02454	4.7
113.06112	1.5
113.09758	0.5
115.07645	1.8
116.92842	1.8
119.03466	2.3
121.02972	2.5
121.06556	0.7
122.03728	0.8
123.00827	0.5
123.04527	2.2
123.08168	2.6
125.02417	3.0
125.06101	4.1
125.09721	11.1
126.90501	1.9
127.07677	4.8
127.11264	1.0
135.04543	1.1
135.08167	6.1
136.05261	0.5
137.06052	1.2
137.09715	1.6
139.07678	2.5
141.09221	1.4
141.12811	0.9
142.02696	0.7
143.03557	0.5
143.07146	2.7
145.05069	0.9
147.04501	0.7
149.09727	0.8
151.07671	1.0
151.11298	1.0
153.09209	16.4
153.12785	0.8
154.09581	0.9
155.10751	2.0
161.04599	2.5
161.05836	0.5
161.09749	0.9
163.07573	0.6
163.11276	10.5
165.09189	0.7
165.12825	4.2
165.16019	0.4
171.10265	27.0
172.10577	1.0
175.11241	0.7
176.08420	2.6
177.05632	0.7
177.09222	0.9
177.12875	0.8
178.10013	4.6
179.05627	1.2
179.07082	0.6
179.10660	1.4
181.12416	2.4
182.99281	0.5
183.00935	0.6
185.10223	0.9
185.11830	12.3
185.13454	0.9
187.09755	1.4
189.09219	0.9
190.09962	0.8
191.10759	5.5
191.14391	1.9
192.11502	0.7
193.12254	0.9
197.11821	20.1
198.12083	0.8
201.09332	0.7
203.14407	0.5
207.10251	9.8
207.13789	0.8
208.10641	0.5
209.11823	100.0
210.12148	5.3
211.13379	1.3
217.12361	1.7
217.16125	0.6
219.10236	1.5
219.13953	0.7
219.17468	0.5
221.11801	1.2
225.11340	4.5
227.12872	1.8
233.11877	0.6
235.08191	4.0
235.13419	1.0
236.10628	2.5
237.11282	1.3
237.14948	1.0
238.12041	3.1
239.12904	0.8
239.16618	0.7
243.17531	1.1
243.21674	0.5
245.15396	1.1
245.19052	3.0
251.12881	1.4
251.16502	0.7
253.09230	10.1
253.14561	0.9
256.13046	0.6
259.17111	0.7
261.18591	3.3
263.16446	1.2
263.20120	0.7
269.15506	1.8
271.17239	0.7
277.18103	1.8
279.19647	3.0
287.16528	9.1
289.18085	14.4
290.18488	1.1
291.15982	0.5
291.19501	0.6
295.19373	0.9
297.53433	0.5
303.15979	1.0
305.17581	44.5
306.18045	2.6
307.19138	53.5
308.19510	5.1
309.20773	0.8
313.17929	0.6
323.18655	10.1
324.18878	0.6
325.20200	22.9
326.20532	1.4
327.21881	0.7
331.19180	0.7
341.23306	0.8
345.20679	0.7
361.24023	0.7
385.42123	0.5
407.19232	1.5
414.76959	0.5
445.20767	0.6
474.20996	1.3
523.25360	1.8
525.27423	1.5
541.26617	10.3
542.26471	1.1
543.28088	16.1
544.28644	2.4
559.27985	2.4
561.29083	2.4
577.28680	1.0
691.37231	1.2
695.36621	2.4
697.39105	0.7
707.36615	1.8
721.38147	1.9
723.39703	1.7
725.38049	1.3
733.38110	0.8
735.39746	2.5
739.38898	1.0
751.39160	2.0
752.38959	0.7
753.40753	0.8
762.38300	2.6
769.40088	4.6
770.41101	1.2
780.39832	3.9
798.40735	1.4
813.44946	1.4
822.33405	0.5
831.45270	17.6
832.45331	4.5
849.46472	21.8
850.46588	4.7
867.47571	10.9
868.47955	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	15.6
70.77676	1.2
71.01385	4.1
80.96510	2.5
84.33566	0.5
85.02966	1.4
87.00867	0.6
89.02431	1.6
101.02434	2.5
102.14502	0.5
113.02455	0.9
119.03497	0.8
125.09728	0.7
145.05077	0.8
152.66214	0.6
153.84302	0.6
161.04497	1.3
163.11256	1.3
165.12828	2.8
168.82526	0.5
189.55840	0.5
197.11861	0.7
221.11699	0.6
222.11794	0.5
223.13370	1.3
235.08202	6.5
247.20650	4.1
253.09279	8.8
273.18567	1.6
277.21704	100.0
278.22067	7.9
291.16272	1.3
291.19653	45.4
292.19949	3.0
309.20688	55.0
310.21036	4.1
327.88443	0.6
527.28967	0.9
693.35657	0.7
865.50317	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	866.527
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52911	0.1
61.98828	100.0
62.98535	0.1
67.17998	0.1
69.77690	0.2
69.78091	0.1
80.96519	0.1
88.81712	0.1
94.98125	0.1
98.19933	0.1
114.38737	0.1
119.45596	0.1
137.00256	0.1
150.64018	0.1
158.53510	0.1
185.67099	0.1
549.12177	0.1
755.45758	0.1
867.49036	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	865.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	21.4
69.78387	2.5
71.01385	4.4
72.99324	0.5
73.02956	0.5
80.96532	1.1
82.38368	0.5
85.02983	1.3
86.71439	0.5
87.00881	0.7
89.02438	3.3
95.01435	0.5
97.02943	1.0
97.06604	0.7
98.20631	1.0
101.02444	4.2
113.02448	2.2
119.03466	1.1
125.06116	0.8
125.09834	1.0
129.26637	0.4
131.97766	0.4
132.35976	0.5
137.09831	0.6
143.03535	0.6
153.12883	0.6
161.04526	1.4
163.11284	3.3
165.09213	0.7
165.12825	6.1
166.09999	0.7
175.11465	0.5
177.12941	0.6
179.05556	0.9
179.14406	2.1
181.12349	1.8
193.15958	1.8
200.51828	0.5
209.11830	1.0
219.17384	0.6
223.13396	1.8
235.08246	1.3
247.20638	6.6
253.09308	12.8
273.18616	2.2
277.21716	97.5
278.22067	8.3
291.19653	99.7
292.19992	7.6
303.04623	0.5
309.20697	100.0
310.21039	8.6
527.28564	2.7
541.04877	0.5
545.29645	1.1
865.49298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.96230	0.6
63.99268	0.5
71.01386	3.9
71.50099	0.7
73.02962	1.6
78.98612	0.8
79.95726	2.5
80.96517	10.3
83.26224	0.5
85.02956	0.9
87.00880	0.8
89.02455	1.3
94.98089	3.1
101.02459	2.4
111.08149	3.4
113.02470	1.8
125.02427	0.8
127.07661	0.7
134.97595	0.8
148.42043	0.5
148.99191	1.0
152.98688	0.7
157.91739	0.5
160.13087	0.5
161.04601	1.4
164.98561	2.4
169.12370	1.6
197.11826	20.4
198.12178	0.8
199.13377	0.9
206.99779	0.5
211.13457	3.1
213.75360	0.5
225.00722	3.5
225.15030	0.5
235.08273	4.3
238.14835	0.6
253.09273	8.3
263.20291	1.6
265.18350	0.7
277.21713	57.2
278.21967	3.5
291.19598	8.4
291.22531	0.6
309.20709	24.3
310.21228	2.2
348.57477	0.6
513.31049	1.1
545.29980	0.9
566.11346	0.6
858.69672	0.6
865.49634	12.9
866.50909	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	865.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	41.2
71.01382	12.8
71.05022	1.3
72.99308	2.1
73.02945	2.8
77.20148	1.5
80.02696	2.4
80.96505	2.5
81.03455	4.7
83.01389	3.1
83.05047	9.3
85.02972	3.5
87.00876	3.4
87.58319	1.3
88.98819	2.4
89.02440	5.4
89.09418	1.4
95.05030	3.1
97.02947	5.7
97.06591	7.5
101.02441	9.2
107.05019	8.8
109.06570	4.1
111.00883	3.3
111.04510	2.2
111.08144	1.6
113.02448	4.2
113.06080	3.2
114.93381	2.1
116.92857	9.5
117.92867	3.6
118.92697	1.9
119.03532	1.9
119.05061	1.5
121.02950	4.3
122.03754	2.4
123.04517	2.8
123.08149	5.3
125.02448	4.0
125.06100	5.0
125.09727	28.7
127.07655	3.4
135.04463	1.8
135.08177	7.6
136.05261	1.6
139.07643	2.8
141.09126	2.2
143.07130	4.8
145.05089	2.5
149.06050	1.7
151.07625	3.6
153.09201	10.3
161.04576	1.7
161.09746	1.9
163.07593	2.0
163.11285	12.2
165.12804	4.9
171.10280	5.9
176.08354	2.3
177.05585	14.3
177.09258	1.4
178.10040	3.8
179.10808	1.7
181.12312	2.2
185.11856	12.6
187.09741	5.9
191.10812	8.7
197.11836	18.5
207.10251	17.5
209.11819	100.0
210.12140	3.2
217.12352	3.2
223.13380	2.4
225.11349	7.4
233.11848	2.4
235.08203	5.3
235.13347	1.9
236.10542	3.0
237.11195	1.7
237.14970	1.8
243.17520	3.6
245.19322	1.6
251.12854	5.4
253.09242	10.8
259.17078	2.5
261.18521	6.4
263.16510	3.0
269.15399	2.3
277.18060	5.6
287.16571	13.6
288.16794	1.7
289.18121	3.6
303.16037	11.6
305.17587	65.4
306.17978	5.3
307.19162	8.2
321.17108	8.3
321.20407	2.1
323.18640	11.5
325.19998	2.2
341.23169	2.9
361.20160	2.1
379.21100	1.6
391.15347	1.3
415.06046	1.7
523.25287	3.0
541.26563	18.1
542.27374	1.9
557.26373	3.3
559.27142	4.1
597.29315	4.3
609.29395	4.6
705.35028	7.8
707.36676	3.8
715.59741	1.7
719.36298	2.9
721.38165	7.9
723.35376	7.6
733.37622	8.8
737.37775	12.6
738.37921	2.2
739.38751	3.1
749.37457	6.0
751.38965	3.8
752.41742	2.1
767.38934	11.4
768.39313	2.4
778.37518	5.0
779.37988	1.9
796.38892	4.6
811.43195	1.9
819.45056	1.9
829.43805	28.0
830.44019	5.6
847.44592	25.4
848.45044	5.0
865.45953	18.1
866.45996	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	864.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.79612	0.2
71.42568	0.3
72.92091	0.2
79.95745	0.2
80.96523	0.7
92.85973	0.2
121.00151	0.2
201.84967	0.2
257.89417	0.2
277.21686	0.8
291.19778	0.4
309.20724	0.5
311.41852	0.2
412.04803	0.2
548.27081	0.2
734.89624	0.2
865.50677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	0.7
63.96233	1.3
69.03448	0.6
69.49155	2.9
71.01379	7.6
73.02953	1.7
74.70886	0.5
76.38094	0.4
78.98592	6.3
79.95736	20.9
80.96516	78.3
81.03429	0.5
82.96101	1.0
85.02937	2.8
87.00866	2.8
94.83297	0.4
94.98088	15.6
96.96009	1.0
97.02945	1.6
99.00894	0.6
101.02451	2.2
106.98100	3.2
122.97591	3.4
125.02459	3.0
127.04012	0.7
134.97591	5.7
136.99130	1.3
146.97527	0.7
148.99136	6.8
152.98624	6.4
164.98625	11.3
172.70842	0.4
188.98709	0.5
206.99699	4.2
208.81253	0.4
225.00734	22.3
226.01027	0.4
255.23276	2.0
283.04947	1.1
341.05432	0.8
355.07053	0.7
425.14996	0.5
537.27374	1.6
586.06592	0.4
599.00317	0.5
607.24255	0.6
609.29175	0.7
679.37073	0.8
708.58582	0.5
863.48206	100.0
864.48602	20.6
864.65912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34630	10.9
61.98833	22.8
65.80968	8.8
71.01391	9.1
71.51276	17.8
95.97813	8.4
100.57153	8.0
117.73937	10.7
177.68829	9.3
209.11772	46.9
219.46239	11.3
253.09288	10.8
277.21695	28.3
279.23190	100.0
289.17953	19.4
307.19162	59.4
325.20172	32.7
543.28204	44.1
736.43585	12.0
805.51843	63.6
806.50775	13.7
823.51617	19.0
828.31250	10.2
859.49237	70.5
860.50018	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	861.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00341	0.5
71.01382	9.3
71.52218	0.6
72.99326	0.6
73.02937	3.5
81.03468	0.8
83.01362	3.0
85.02947	8.6
87.00864	0.7
89.02436	0.8
95.01373	1.2
96.96017	0.7
99.00889	1.7
99.04518	63.1
100.04842	1.1
101.02438	21.5
110.89854	0.5
111.00935	0.7
113.02454	4.3
119.05006	0.7
125.02446	25.7
126.02832	0.5
129.01950	0.9
143.03542	3.3
147.02931	0.6
151.00359	1.9
159.03009	1.7
161.02458	0.5
161.04535	4.4
167.20428	0.5
178.99969	0.7
180.73878	0.4
185.31271	0.5
191.01910	1.0
206.16289	0.5
209.02994	0.8
211.03976	0.9
222.48486	0.5
227.03484	37.3
228.03896	2.6
229.05077	1.8
240.04160	0.6
246.84653	0.5
255.02974	51.0
256.03580	6.6
257.04694	0.7
257.66022	0.5
269.10309	13.4
270.10638	0.6
284.03250	61.5
285.03958	17.2
286.04306	0.8
300.02652	0.7
311.11331	13.4
312.11670	1.1
327.05130	0.9
329.40961	0.5
332.78015	0.5
337.05838	0.5
351.14465	3.3
352.15039	0.6
369.15378	0.7
413.14505	49.9
414.14758	4.2
447.09290	100.0
448.09604	10.6
677.04083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	11.4
64.93997	4.4
88.98806	10.2
98.20645	19.0
116.92886	8.3
123.84467	5.1
136.89171	14.2
141.59145	5.0
141.92702	4.9
209.11797	15.0
229.29095	6.6
235.08156	10.8
253.09184	16.4
266.20908	4.6
274.39581	4.9
277.21701	13.2
279.23257	100.0
288.52161	4.4
289.18112	6.7
307.19229	34.6
309.26361	4.6
325.20151	21.1
518.48798	6.2
525.26929	7.5
543.28503	7.4
736.44446	7.0
805.51074	52.7
823.51935	16.9
859.49994	57.3
860.49902	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	859.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	1.9
61.98834	13.2
70.73398	4.3
71.01402	1.9
88.98804	12.2
89.02439	3.7
99.92568	3.7
116.92847	8.1
126.89658	2.9
126.90484	14.3
133.14050	2.0
134.89474	100.0
135.89449	4.7
172.31635	1.8
200.64474	1.7
211.13370	2.9
235.08102	1.8
253.09286	6.3
277.21667	5.1
289.18097	5.9
290.18466	2.2
291.19229	2.2
293.21228	11.1
294.21460	6.5
307.19281	3.3
308.19470	2.5
309.20474	3.8
524.49194	2.1
626.37964	2.1
665.41748	2.1
859.48328	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	859.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23351	3.1
61.98834	13.2
70.25727	6.1
70.26098	5.5
71.01385	2.8
83.45446	2.5
85.02936	3.1
88.98812	3.0
89.02399	2.7
91.95448	2.6
101.02390	4.0
112.52314	2.7
113.02435	3.9
116.92829	7.4
118.91437	2.6
120.07101	3.6
123.11996	2.8
152.18953	2.6
168.80556	3.1
171.10246	7.9
211.13351	5.9
229.14413	7.3
235.08218	28.2
253.09265	43.6
277.21710	100.0
278.22064	6.1
291.19629	6.2
300.46762	3.0
306.10156	3.0
309.20737	27.6
327.21738	97.2
328.22031	8.8
379.49966	2.7
513.30524	8.1
530.05194	3.1
545.29749	26.1
563.30444	19.9
564.30762	6.3
587.43018	5.6
611.65167	3.6
738.96057	2.9
823.52643	13.5
824.53210	4.7
859.49683	50.9
860.50134	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	859.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	2.8
71.01382	8.3
71.05016	4.0
72.99294	1.1
73.02947	1.1
83.05035	1.9
84.02155	1.1
85.02953	4.5
87.00870	1.5
89.02451	3.5
95.05032	1.7
96.96021	2.1
97.02951	4.8
97.06582	4.1
99.00880	21.9
99.92593	1.2
100.16524	0.9
101.02448	4.6
103.04137	1.0
109.06593	2.0
111.04678	0.9
112.06573	0.8
113.02438	1.6
114.93444	1.4
116.92853	5.5
123.04594	0.9
123.08143	2.0
125.09733	9.5
126.90534	4.4
127.07646	2.4
127.11346	1.1
129.01956	1.1
135.08191	1.7
142.02707	1.6
152.84137	0.8
153.09177	2.7
153.12859	1.2
156.54799	0.9
161.04543	1.2
161.09689	1.3
163.11279	12.6
165.12938	1.4
171.10252	2.4
179.10812	0.9
181.12350	22.3
183.13976	0.8
185.11879	3.6
191.14323	0.9
197.11797	5.2
199.13394	13.4
207.10255	31.8
208.10616	1.6
209.11830	15.2
225.11316	41.5
226.11687	2.4
243.12366	25.4
253.09273	2.4
283.52304	0.9
289.18149	3.4
307.19153	7.0
308.19553	0.9
325.20135	2.1
454.52042	0.8
461.20364	2.0
479.21268	8.6
538.73669	0.9
543.28265	1.3
633.31909	1.1
648.28381	0.8
769.40106	23.7
770.40149	5.1
787.41174	100.0
788.41479	25.4
788.56055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	79.8
67.15525	4.7
70.36367	9.9
70.36766	8.7
75.00870	13.6
76.92117	4.6
80.17907	4.2
99.92603	10.9
103.00368	15.4
116.92091	8.6
116.92871	100.0
117.92923	9.0
134.02109	4.6
171.10271	35.3
211.13336	15.9
253.09286	21.2
275.20261	9.2
277.21707	9.8
291.19647	23.9
293.21204	66.1
307.22711	6.8
309.20694	24.1
311.09384	5.1
447.22314	6.6
527.28796	8.6
545.29724	8.3
857.48175	55.7
858.48181	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	857.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	17.5
71.01388	2.6
73.46350	1.6
82.95422	2.5
89.02426	2.0
98.19838	3.0
99.92590	3.8
116.92853	13.8
117.92849	2.6
134.89474	54.6
135.89423	2.6
155.58762	2.1
171.10196	2.1
172.61673	1.9
197.11848	7.6
197.35124	2.3
209.11815	100.0
210.12158	4.4
222.02353	1.8
227.12874	12.2
253.09207	8.5
277.21710	64.0
278.22055	6.3
307.19165	8.4
325.20261	4.3
346.85287	2.3
417.46530	2.0
445.20755	13.9
543.27997	4.6
551.98773	1.9
620.57410	2.2
723.43591	3.0
803.49902	4.1
857.48206	12.6
858.48541	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	857.481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	21.1
70.09969	6.7
70.36474	6.7
87.00854	6.7
119.40903	6.7
139.74643	7.3
159.77455	7.1
179.37294	7.0
197.11870	12.0
204.19716	7.3
209.11778	19.9
229.43504	9.7
235.08241	9.5
277.21753	21.9
279.23303	100.0
287.16449	11.3
305.17593	21.3
314.39160	7.0
523.88812	7.6
803.49347	84.0
804.49890	18.2
821.49921	22.3
851.50439	7.9
857.47937	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	857.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	21.1
65.94091	3.0
70.64532	7.7
70.64864	4.7
75.65382	3.0
89.02453	4.7
98.61011	4.0
101.02437	3.7
108.98643	3.3
117.37663	3.2
125.09700	3.6
197.11839	9.0
209.11848	39.3
234.12003	3.6
235.08162	4.4
253.09193	7.0
277.18134	5.7
277.21716	10.7
279.23254	52.3
280.23416	4.2
305.17569	43.3
318.12021	3.5
323.18567	10.3
523.25671	11.0
541.26508	30.2
544.45282	3.7
559.27161	5.8
596.43213	4.0
723.43158	12.9
752.43317	9.3
803.49457	100.0
804.50220	22.6
821.50665	28.8
822.51208	5.0
857.48944	23.7
858.48273	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	857.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	0.7
70.89787	0.5
71.01378	0.6
77.51862	0.3
78.02718	0.3
83.06435	0.3
85.02937	1.6
87.41852	0.4
99.04488	1.2
107.01361	1.7
108.02169	0.6
109.02953	0.6
120.39652	0.3
121.02942	1.3
125.25143	0.3
148.01677	0.7
151.00362	7.3
152.00952	0.3
159.04456	0.4
163.00403	1.5
163.23123	0.3
169.01424	0.3
178.99864	3.3
187.03876	0.3
191.01869	0.4
209.02994	0.3
211.04047	0.4
215.03098	0.3
216.04131	0.5
223.09686	0.6
226.02708	0.5
227.03419	1.5
230.01799	0.4
243.02968	4.9
244.03519	0.8
245.04480	0.4
249.13429	0.5
254.02196	1.2
255.02979	13.2
256.03400	1.2
271.02469	32.0
272.02917	3.0
273.03549	0.6
283.02451	0.4
299.01834	0.6
300.02728	71.8
301.03433	28.9
302.03723	2.7
393.17651	1.4
404.15988	0.3
433.48007	0.3
463.08798	100.0
464.09137	10.9
465.09430	2.5
777.22583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	9.9
69.03461	0.6
71.01383	6.4
71.05035	0.4
71.51181	0.5
73.02938	1.3
75.00866	2.2
80.02666	1.0
81.03476	0.6
81.58173	0.4
83.01380	0.8
83.05034	4.7
84.02168	1.5
85.02946	2.0
87.00887	2.1
88.98828	0.7
89.02437	4.5
93.03441	0.4
95.01362	0.5
95.05019	1.4
97.02949	1.1
97.06568	0.7
99.92583	0.6
101.02438	6.0
103.00372	2.9
109.06593	0.7
111.08157	2.0
113.02435	2.9
114.93439	0.6
116.92850	4.4
119.03477	1.1
123.08189	0.7
125.06065	0.7
125.09707	1.1
127.11295	0.4
132.93034	0.4
135.08220	0.4
145.05048	1.1
150.56177	0.4
153.09177	0.4
161.04529	2.4
163.11293	3.7
165.12842	2.6
167.10828	0.7
171.10274	11.0
179.14371	0.7
181.05374	0.4
181.12328	1.1
183.13937	0.9
185.11850	1.4
191.10774	1.0
195.13885	8.3
196.14410	0.6
197.11826	2.5
209.11816	100.0
210.12152	4.6
211.13428	2.3
223.13388	5.4
227.12878	12.4
228.13327	1.6
229.14401	1.7
235.08168	4.7
239.12769	0.5
247.20659	0.6
249.14987	0.6
253.09271	23.6
254.09605	1.0
256.13156	1.0
273.18564	0.6
275.20151	6.0
275.89734	0.4
276.20572	0.6
288.02502	0.4
289.18182	1.7
291.19659	18.4
292.20071	1.2
293.21216	89.1
294.21561	7.0
305.17624	0.6
307.19144	6.6
308.19586	0.6
309.20676	4.0
310.21033	0.6
311.22308	0.6
325.20013	1.4
327.21756	13.1
328.22089	1.2
445.21783	0.4
492.22235	0.6
527.28467	0.8
543.27960	0.5
636.48914	0.5
736.92273	0.4
775.32941	0.5
855.50647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	4.8
61.99132	0.4
62.93351	0.3
65.68873	0.3
66.95332	0.3
69.03461	1.8
70.26925	0.9
71.01376	5.9
71.05036	0.4
72.62537	0.3
72.99313	0.7
73.02940	1.5
80.02705	0.5
81.03458	0.3
83.01416	0.8
83.05055	0.9
84.02176	0.4
85.02949	7.9
85.06613	0.3
87.00870	1.8
88.00440	0.3
89.02447	4.8
89.02937	0.4
95.01393	0.7
95.05049	0.5
96.96036	0.5
97.02968	2.0
97.06606	2.4
99.00896	0.4
101.02447	5.4
109.06606	0.5
110.03775	0.4
111.08183	0.8
113.02440	2.4
116.92848	1.3
119.03530	1.2
123.08150	0.7
125.02489	0.5
125.06091	0.3
125.09721	2.0
127.11325	1.3
133.05060	0.4
137.09718	2.1
141.12875	0.5
141.32100	0.3
143.03539	0.7
145.05090	1.3
151.11340	0.3
153.09262	0.5
153.12860	0.6
155.10799	0.5
161.04572	3.2
162.10544	0.5
163.11287	3.4
165.09242	0.9
165.12849	5.7
166.13159	0.4
167.14459	0.8
171.10280	18.5
172.10635	0.5
177.12869	1.2
179.05623	1.1
179.14470	1.1
181.12323	1.8
183.13901	3.0
185.11836	0.9
187.38675	0.3
189.12871	0.3
191.14366	0.5
193.12276	1.0
193.16019	1.6
195.14075	0.3
197.11830	3.3
199.13374	0.9
201.11319	0.8
207.10239	0.4
209.11856	2.3
211.13380	10.7
212.13770	0.6
219.17560	0.4
221.11858	2.0
222.09903	0.3
223.13455	1.8
225.11398	0.3
229.14410	7.9
230.14786	0.4
235.08228	9.7
236.08562	0.3
239.12883	1.1
247.20667	5.7
248.21127	0.4
253.09285	25.5
254.09579	0.5
273.18658	1.6
289.18195	0.3
291.19656	74.3
292.19980	6.0
293.21124	0.4
294.49619	0.3
309.20700	100.0
310.21057	8.8
327.21753	79.3
328.22107	5.8
333.42197	0.3
343.21326	0.4
396.88156	0.3
413.46182	0.3
527.28638	2.1
545.29675	3.0
563.30707	4.4
564.30798	0.9
601.41388	0.4
619.42072	2.6
620.42780	0.3
855.52045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	16.3
70.36336	1.5
70.36687	1.6
71.01379	6.2
71.04984	0.7
72.99277	1.1
73.02947	1.6
83.05013	1.0
85.02951	4.4
87.00857	1.2
89.02438	4.5
93.65287	0.7
94.89324	0.7
96.96027	1.7
97.02946	1.1
97.06596	1.5
101.02448	5.6
105.45476	0.7
109.06577	1.2
111.08182	3.9
113.02427	2.6
115.91981	0.9
116.92843	1.9
119.08696	1.9
123.04480	0.9
123.08209	1.0
125.09761	1.6
134.21808	0.8
137.09723	1.8
145.05086	1.1
153.12839	0.8
155.10698	0.8
161.04527	2.1
163.11284	2.2
165.12785	3.5
166.09993	0.7
169.12323	2.5
171.10281	10.6
179.05611	1.0
181.12349	2.9
183.13850	2.0
185.11716	0.9
193.12294	1.1
195.13882	2.0
197.11838	18.6
198.12244	2.0
199.13385	3.0
201.11301	1.5
209.11842	4.5
210.12096	1.7
211.13452	8.3
212.13591	0.9
221.11902	1.3
221.15460	1.0
223.13402	3.1
229.14435	3.1
235.08218	8.3
247.20621	3.9
253.09293	22.6
254.09554	1.3
263.16602	0.7
268.70505	0.7
273.18451	2.2
275.20251	1.1
289.18042	1.8
290.18268	0.8
291.19656	53.9
292.20108	4.8
292.62357	0.7
293.21234	5.6
307.19153	2.7
308.19537	1.1
309.20703	100.0
310.21054	10.5
311.21967	2.5
318.34857	0.9
323.43866	0.9
325.20352	1.1
327.21756	63.1
328.22171	5.3
329.22540	1.0
343.21204	2.1
382.66019	0.8
459.22125	0.9
527.28650	2.4
545.29791	14.6
546.29987	2.2
563.30652	3.7
568.18146	0.8
619.41742	1.3
837.48505	1.3
855.51385	4.5
856.51642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.83479	26.8
74.04631	9.3
91.93298	9.0
119.16580	11.1
137.75868	9.7
177.73129	10.3
196.91107	9.8
253.09402	12.3
277.22021	11.6
279.23206	36.1
286.74014	9.9
293.21298	14.9
447.50751	10.5
558.65198	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	855.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	6.1
69.92934	6.1
70.44069	1.3
71.01373	8.3
73.02926	1.6
79.06810	1.2
85.02951	3.2
87.00879	1.5
89.02445	7.8
97.02984	1.4
101.02447	8.9
109.06577	1.5
113.02422	3.4
116.92849	3.5
119.03478	1.3
125.02393	1.9
125.09703	2.2
125.70751	1.3
131.03493	2.1
137.09680	1.4
161.04533	3.1
163.11293	3.7
171.10197	2.3
179.05643	2.4
185.11806	4.3
191.14417	6.5
195.13893	6.9
197.11798	23.6
198.12057	2.0
206.58308	1.4
207.10234	2.0
209.11736	3.4
211.13531	1.6
223.13402	4.2
225.11313	1.8
235.08208	6.2
235.18732	1.2
237.11270	5.3
245.19116	11.2
253.09279	30.5
271.17096	2.6
275.20239	5.9
277.21732	16.4
278.22089	2.7
289.18088	77.5
290.18344	5.9
291.19635	6.8
293.21210	100.0
294.21500	7.0
307.19150	70.0
308.19418	5.1
309.20837	3.3
309.24408	5.4
327.21707	4.9
379.12445	1.6
397.13409	5.9
415.14648	2.7
420.76837	1.6
432.61920	1.7
463.68649	1.5
519.73425	1.6
525.27118	7.7
529.30469	2.1
543.28070	3.6
577.24628	1.6
583.39685	2.3
744.89502	1.4
819.49103	3.8
855.46106	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	855.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.3
65.00314	0.6
69.03587	0.3
70.99702	0.4
71.00027	0.4
73.04704	0.3
75.77125	0.3
83.01421	0.4
85.02959	0.4
89.02454	0.3
92.09968	0.3
98.20483	0.4
99.04520	1.1
101.02437	0.6
101.17607	0.3
102.37620	0.2
107.01401	1.7
108.02173	0.9
109.02943	0.7
121.02943	1.1
125.02437	0.6
135.00868	0.5
148.01671	0.9
149.02437	0.2
151.00354	6.9
152.00728	0.4
163.00383	1.3
164.01141	0.4
178.99867	3.3
187.64764	0.3
211.03958	0.4
216.04305	0.5
226.02766	0.7
227.03476	1.4
229.04982	0.6
243.02988	4.1
244.03545	0.6
245.04591	0.6
254.02190	1.4
255.02977	15.3
256.03409	1.1
271.02469	32.1
272.03043	2.2
273.04022	0.6
283.02444	0.9
299.02087	0.4
300.02740	70.1
301.03448	30.6
302.03824	2.2
338.68900	0.3
343.04602	0.3
391.16223	1.2
463.08804	100.0
464.09131	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	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.33076	0.3
70.98469	0.4
70.98783	0.2
71.01392	0.4
74.35588	0.3
75.23668	0.2
79.95747	0.9
80.96516	3.1
94.75826	0.3
94.98110	0.7
121.87075	0.3
164.98627	0.6
186.93269	0.3
225.00784	0.8
291.71780	0.3
374.67914	0.3
854.47992	3.0
855.48462	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	853.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	7.0
69.03439	1.4
70.65031	0.4
70.65392	0.6
71.01000	0.5
71.01383	5.3
72.99288	0.5
73.02943	1.1
75.00858	0.5
76.50631	0.3
80.36926	0.4
81.03427	0.3
83.01395	0.7
83.05016	1.0
84.02170	3.6
85.02946	1.3
87.00880	1.6
88.12892	0.3
88.98795	0.7
89.02445	4.0
94.92554	0.3
95.01377	0.4
95.05061	0.6
97.02977	1.6
97.06583	5.5
99.00883	0.3
99.04512	0.8
101.02441	5.9
103.00348	0.6
111.08145	1.2
113.02454	2.4
113.09729	0.3
114.93369	0.3
116.92847	0.9
119.03506	1.4
119.08702	0.3
125.09711	1.1
126.90539	0.3
127.11293	0.3
133.05084	0.4
135.08136	0.3
137.09723	0.8
139.07649	0.4
143.03494	0.5
144.45853	0.3
145.05070	0.6
153.09293	0.3
159.03030	0.3
161.04549	2.5
167.10789	0.7
169.12311	0.8
171.10265	16.1
172.10600	0.6
175.11278	0.4
177.12827	0.9
179.05618	0.8
179.10670	0.3
179.14415	0.6
181.12349	1.3
183.13843	0.6
185.11826	1.0
193.12338	6.2
194.12587	0.4
195.13893	9.2
196.14566	0.6
197.11819	1.6
199.13408	1.9
205.12338	0.5
209.11830	1.1
211.13391	3.6
212.13683	0.3
221.11826	0.8
223.13399	5.6
224.13818	0.5
225.14944	9.2
226.15370	0.4
227.12729	0.4
228.13631	0.9
231.20978	0.6
235.08205	3.6
239.12871	0.4
243.15981	5.1
253.09283	29.0
253.14587	0.9
254.09683	0.9
256.13071	1.3
263.20126	0.4
265.21780	0.4
273.18420	0.3
275.17316	0.6
275.20135	5.6
276.20493	0.7
279.19559	0.4
289.18188	0.7
291.19720	2.9
292.20102	0.7
293.21219	100.0
294.21545	8.0
294.24579	0.3
305.17651	0.6
305.21057	0.9
307.19186	1.0
309.20657	2.0
323.22162	1.8
327.21808	0.9
341.23306	87.0
342.23657	7.4
388.61194	0.3
507.04306	0.3
529.30127	1.9
530.30353	0.5
577.32147	4.4
578.32300	0.6
599.42621	0.3
617.44098	6.1
618.44659	1.2
700.46863	0.3
835.48016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	3.8
71.01382	7.8
71.05009	1.1
71.50652	0.8
73.02949	1.5
74.68486	0.4
77.99963	0.4
80.02648	0.7
81.03453	0.7
83.01386	1.2
83.05019	2.6
84.02173	0.9
85.02943	2.0
87.00864	2.2
89.02457	4.6
93.03489	0.6
95.05019	1.7
97.02946	1.2
97.06585	1.4
98.03760	0.6
99.00872	0.8
99.04517	1.2
99.08179	0.7
101.02448	7.3
109.02941	0.8
109.06571	1.4
111.08156	2.9
113.02452	4.0
113.09689	0.5
115.07654	1.6
118.88657	0.5
119.03488	1.2
123.04545	0.7
123.08138	0.7
125.02402	0.5
125.06102	0.5
125.09726	4.5
127.07658	3.1
127.11275	2.0
129.02029	0.4
135.08150	1.7
137.09698	1.0
139.07651	0.5
139.12570	0.5
141.09227	0.7
143.03548	0.6
145.05048	0.9
149.09729	0.8
151.11266	1.3
153.09210	14.2
153.12852	4.8
155.10783	3.5
161.04558	2.7
161.09712	0.7
163.11302	3.3
165.12840	2.4
167.10767	2.0
169.12326	0.8
171.10263	14.7
178.09969	1.5
179.05624	1.1
179.10733	1.4
179.14363	2.4
181.12350	4.1
183.13898	0.6
185.11804	3.6
191.10753	1.8
191.14403	1.2
193.12227	0.7
197.11852	10.0
198.12175	0.5
199.13345	1.3
207.10268	0.7
207.13815	2.8
209.11819	37.6
210.12212	2.1
211.13429	0.7
219.13893	0.8
219.17439	0.5
225.11505	0.6
226.12134	0.6
227.12921	1.8
228.13525	1.3
229.14409	0.8
235.08200	6.3
235.20686	0.8
237.11252	0.5
238.12144	1.2
241.14476	1.0
245.19041	2.5
247.20732	4.3
253.09248	12.0
254.09457	0.6
263.20074	1.5
265.21652	1.2
271.17001	0.6
273.18600	3.0
276.50256	0.4
279.19604	0.8
281.21100	2.6
289.18100	12.2
290.18481	1.2
291.19659	33.1
292.19940	2.6
293.21194	1.1
297.20712	0.9
305.17627	1.2
307.19150	59.2
308.19431	4.9
309.20694	100.0
310.21063	7.6
311.22208	4.0
325.20184	23.5
326.20535	1.7
327.21844	1.7
525.26740	3.6
527.28644	1.5
541.27655	0.5
543.28046	13.6
544.28448	1.6
545.29620	18.5
546.30109	2.4
546.79810	0.5
561.29608	2.2
699.40137	2.0
720.27008	0.5
766.41406	4.2
767.41779	1.0
784.42798	0.5
817.47559	1.9
835.48523	17.8
836.48578	4.1
853.35388	0.6
853.49811	7.0
854.50128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.2
69.03455	0.8
71.00359	1.0
71.01379	7.8
71.05012	1.3
73.02926	1.9
80.02669	1.3
81.03439	0.8
83.01392	1.1
83.05015	3.4
84.02171	1.2
85.02950	2.9
87.00861	1.7
89.02446	5.4
93.03449	0.5
95.01397	1.1
95.05025	1.3
97.02924	1.2
97.06578	1.9
98.03721	0.5
98.20345	0.8
99.04514	1.4
99.08218	0.7
101.02446	7.4
111.08150	0.7
112.05293	0.6
113.02462	3.3
115.07649	1.4
119.03497	1.1
121.02968	0.7
123.04501	1.0
123.08157	1.6
125.02415	0.5
125.06049	1.3
125.09719	5.5
127.07658	3.5
134.91573	0.5
135.08116	2.3
137.09714	0.9
139.07677	0.9
141.09175	0.8
143.03502	1.0
145.05055	0.7
151.11189	0.7
153.09204	15.4
153.12825	0.8
155.10812	1.2
161.04538	2.5
163.11282	6.3
165.09222	0.7
165.12851	8.2
171.10265	27.2
171.48521	0.5
172.10538	0.9
177.12874	0.9
178.09984	2.1
179.05640	0.8
179.14383	2.3
181.12315	2.1
183.14095	0.6
185.11780	5.0
191.10728	1.6
191.14368	1.5
193.15990	2.7
194.81310	0.5
197.11824	7.1
201.11172	0.7
207.10268	0.9
209.11813	42.4
210.12170	2.5
219.13934	0.9
221.11768	0.6
223.13408	2.4
225.11237	1.0
227.12802	0.6
235.08202	5.5
236.10574	1.1
238.12106	1.5
239.16599	0.9
245.19060	3.2
245.32813	0.6
247.20663	6.8
253.09254	16.7
254.09726	0.7
256.13123	0.6
261.18686	0.8
263.20038	1.6
272.17520	0.6
273.18546	1.7
279.19611	1.3
289.18085	14.3
290.18359	1.5
291.19644	77.3
292.20029	6.3
297.20770	1.2
303.19528	0.8
307.19138	66.2
308.19522	4.4
309.20691	100.0
310.21103	7.4
325.20169	24.4
326.20529	2.0
327.21906	0.7
407.19238	1.1
427.28461	0.9
440.21603	0.5
474.21213	1.1
499.27496	0.5
525.26904	4.0
526.27112	0.7
527.28558	1.7
543.28101	17.0
544.28619	1.7
545.29852	1.1
561.29321	3.7
681.39447	0.6
709.38110	0.9
766.41602	4.1
767.41571	0.8
817.47736	1.8
818.47394	0.9
835.48499	16.1
836.48853	3.9
853.49329	5.8
854.50146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	21.8
69.03461	0.7
70.81746	1.4
71.01384	8.8
71.05016	0.8
72.99318	0.6
73.02934	2.5
75.12438	0.5
80.02682	1.2
80.96539	0.8
81.03458	1.1
83.01394	1.7
83.05028	3.1
84.02128	1.2
85.02937	3.1
87.00877	2.2
88.98808	0.8
89.02435	5.8
93.03465	0.6
93.90677	0.5
95.01380	1.0
95.04994	1.5
95.89061	0.5
95.93175	0.6
96.96003	2.2
97.02943	1.8
97.06587	2.6
99.04543	0.8
99.08134	1.3
101.02440	7.9
106.04240	1.1
108.02208	0.6
109.06580	1.1
111.00854	0.9
111.08154	1.0
112.05220	0.9
113.02430	4.8
113.06060	0.9
113.09715	1.6
115.07635	2.2
116.92837	0.8
119.03503	2.1
123.04483	1.0
123.08157	1.0
124.95129	0.6
125.02425	0.6
125.06023	0.9
125.09697	3.6
127.07632	4.3
127.11263	0.8
135.08125	1.8
137.09677	1.1
138.06827	0.7
139.07716	0.9
139.11310	0.7
141.09167	2.8
143.07132	0.9
145.05054	1.1
151.11253	1.1
153.09209	11.1
153.12807	3.0
154.09532	0.6
155.10780	2.1
155.14478	0.9
161.04533	4.0
163.11317	4.4
164.49347	0.6
165.12837	6.2
167.10774	1.4
167.14377	1.7
171.10255	18.5
171.22157	0.6
171.23593	0.5
172.10583	0.7
177.09094	0.7
177.12851	0.8
178.09975	1.9
179.05559	0.9
181.12343	4.7
183.13913	2.1
185.11812	5.7
187.16179	0.6
191.10797	2.2
191.14406	1.8
193.12288	1.8
193.15955	1.1
195.13834	3.4
197.11823	12.1
199.13367	3.3
207.10294	1.4
207.81963	0.5
209.11813	42.5
210.12247	2.6
211.13364	4.6
213.14920	0.8
215.12833	2.1
219.13834	0.9
221.15466	2.5
222.06432	0.5
223.13432	1.3
226.41652	0.6
227.12866	10.6
229.14429	8.6
230.14769	0.8
235.08185	6.6
235.20662	0.7
236.10429	1.1
238.12167	1.4
239.12828	1.0
241.14337	0.9
245.19102	3.0
247.20726	4.6
253.09256	16.5
255.15976	1.8
263.20096	3.0
273.18704	2.7
279.19666	1.9
281.21161	2.1
287.16647	1.0
289.18079	15.3
290.18454	1.3
291.19641	47.8
292.19952	4.1
293.21194	2.5
297.20825	2.9
305.17712	2.9
306.17917	0.7
307.19135	60.7
308.19418	4.9
309.20691	100.0
310.21057	8.2
311.22244	2.1
323.18732	0.8
325.20163	21.1
326.20517	1.7
327.21780	3.3
361.23770	0.8
418.97952	0.7
433.20804	2.2
445.20773	1.0
463.21829	1.6
474.21066	0.9
501.31982	0.7
503.70151	0.6
525.27301	2.9
526.27197	1.0
526.48956	0.6
527.28625	2.5
543.28040	15.3
544.28369	1.2
545.29572	12.9
546.30109	1.6
561.29303	2.3
631.82178	0.6
693.38409	2.3
694.38879	0.9
699.39630	1.8
700.39526	0.6
707.38519	0.6
719.40479	0.9
725.41663	1.0
737.41553	1.6
738.42365	0.7
741.48065	0.6
743.43433	0.6
755.41907	1.3
766.41492	4.0
767.41852	1.5
784.43262	1.5
817.46887	2.8
835.48419	15.0
836.48596	3.5
853.49951	7.0
854.49927	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	12.4
69.03468	1.6
71.01382	12.2
71.05024	1.1
72.02163	1.6
72.21806	0.7
73.02943	2.7
80.02682	1.5
80.96497	1.0
81.03446	1.8
83.01373	1.7
83.05022	3.7
84.02185	1.3
85.02954	5.7
86.09924	0.7
87.00867	2.0
89.02453	6.7
93.03429	0.9
95.01413	0.9
95.05034	4.6
97.02927	1.2
97.06586	9.3
98.03732	1.2
98.19852	1.7
99.00886	6.6
100.01666	2.0
101.02431	9.1
107.05025	4.5
109.06569	1.5
110.03703	1.5
110.16555	0.7
111.08167	3.9
113.02438	5.2
113.09740	1.0
113.58087	0.7
115.07632	1.3
116.92851	1.8
119.03492	2.9
121.02911	0.7
121.06604	0.8
123.04553	0.9
123.08118	3.6
125.02417	2.2
125.06086	26.0
125.09724	5.0
127.07587	1.9
127.11292	5.1
135.08200	1.1
137.09744	1.7
139.07655	11.3
139.11258	1.7
141.09225	7.2
142.02539	0.7
143.03540	1.1
145.04980	1.0
151.07654	3.4
151.11220	1.0
153.09221	5.1
155.10802	2.7
161.04546	2.7
163.11311	4.0
165.09200	1.3
165.12863	1.1
167.10768	0.8
169.08702	37.5
169.12315	1.9
170.08995	1.5
171.10263	45.5
172.10597	1.7
176.08488	1.1
177.09119	1.1
177.12808	1.3
178.09958	0.7
181.12299	3.3
185.11848	2.8
191.10872	1.8
193.12398	0.9
195.10287	1.6
195.13911	7.9
196.14417	1.1
197.11842	8.8
198.12085	1.0
199.09743	3.2
199.13461	3.4
201.11319	87.7
202.11638	2.9
205.12428	1.3
207.10268	4.9
209.11819	28.9
210.12111	1.9
211.13400	2.0
213.11261	1.5
215.12871	2.0
221.11794	3.1
223.13394	5.1
225.11334	9.6
227.12907	2.6
228.13545	0.8
229.14435	1.1
235.08270	7.7
239.12926	0.9
243.12300	1.0
243.17534	1.0
253.09276	39.5
254.09631	2.0
256.13190	0.9
261.18564	2.3
269.15204	0.7
275.20139	8.9
277.17862	1.1
279.19598	1.7
282.05670	0.8
287.16641	4.4
289.18146	2.9
291.19644	8.1
292.20099	1.0
293.21231	100.0
294.21509	6.7
305.17603	22.7
305.21222	0.9
306.17972	1.9
307.19128	7.6
309.20755	10.6
310.21130	1.1
311.22147	1.3
323.18539	5.0
323.22153	1.2
325.20029	2.3
327.21750	2.4
341.23337	19.9
342.23697	2.1
405.18265	0.8
407.19293	1.9
437.20111	3.6
459.31003	1.6
461.20291	2.5
477.32217	2.9
479.21655	1.0
519.52887	0.8
523.25598	1.5
529.29993	1.8
541.26459	8.1
542.26648	0.9
543.28241	1.3
545.29535	1.2
559.27576	2.3
617.44165	1.4
737.42029	1.8
748.41565	0.8
755.42242	4.4
817.47552	5.6
818.47345	1.7
835.48059	4.9
836.49377	1.4
853.49542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41952	0.7
61.98539	0.9
61.98830	13.2
62.71566	0.6
62.87775	0.5
63.80135	0.5
66.90233	0.6
69.53842	1.0
69.54247	3.3
70.05882	0.6
71.01386	1.0
79.95769	0.7
80.02664	0.9
80.96519	1.2
81.03443	1.5
83.05029	5.3
85.02938	1.8
88.98824	4.3
92.79072	0.7
95.05029	1.5
96.96003	2.6
97.02978	1.4
97.06577	2.4
99.92563	0.7
107.05042	6.2
109.06621	3.1
110.03727	0.8
111.08154	0.6
116.92845	3.0
121.02950	1.2
121.16298	0.8
123.04491	0.9
123.08128	1.3
125.02450	1.8
125.06113	3.4
125.09746	4.2
126.90506	1.1
129.45520	0.6
135.08179	3.9
141.54015	0.6
153.09204	8.3
163.11310	5.0
165.12830	2.7
171.10249	1.4
176.08437	2.0
178.09955	3.0
181.12349	1.6
185.11836	2.4
191.10771	1.5
194.76591	0.7
197.11841	10.2
207.10211	5.8
209.11818	79.7
210.12206	4.1
225.11311	7.4
235.08183	1.1
236.10539	2.6
243.17491	1.4
245.15457	1.0
254.11562	3.8
261.18604	4.3
263.16516	0.7
274.23969	0.6
277.18030	2.4
279.19611	2.3
287.16492	7.1
289.18073	0.8
305.17575	100.0
306.17905	8.7
307.19199	2.2
323.18616	51.8
324.18933	3.5
327.21719	3.4
397.13748	0.8
848.40674	0.7
853.45990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98524	0.1
69.91266	0.3
85.92670	0.1
107.37437	0.1
131.71159	0.1
139.64467	0.1
143.85477	0.1
150.66296	0.1
253.31018	0.1
495.99680	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44779	0.1
61.98829	1.1
67.57895	0.1
69.16355	1.0
71.01382	0.3
73.02939	1.5
85.02964	0.2
89.02451	0.2
91.75172	0.1
99.00882	0.3
99.92584	11.8
100.92605	0.5
101.02461	0.3
111.08164	0.3
114.93433	0.6
116.92861	100.0
117.01942	2.7
117.92870	4.3
126.03912	0.1
131.91586	0.1
135.09807	0.2
169.12418	0.1
171.10278	0.5
181.12483	0.1
185.11887	0.1
197.11827	0.9
199.13393	0.2
209.11862	0.6
211.13423	0.2
215.12892	0.1
223.49823	0.1
227.12924	0.1
229.14351	0.2
235.08165	0.2
241.83412	0.1
245.19119	0.1
253.09261	0.9
275.20166	0.3
277.21588	0.1
289.18140	0.3
291.19659	0.6
292.20041	0.1
293.21378	0.6
305.17307	0.2
307.19107	0.6
307.22589	0.3
308.19623	0.1
309.20749	1.0
325.20169	0.2
327.21793	1.0
341.23431	0.6
342.23630	0.2
835.48535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.53190	0.2
71.01395	0.5
71.51410	0.2
71.51771	0.2
73.02951	0.2
76.73479	0.1
81.03485	0.1
83.05012	0.2
85.02949	0.2
89.02443	0.3
95.05028	0.2
96.96032	0.6
101.02437	0.3
109.06580	0.2
111.04485	0.2
111.92139	0.2
113.02502	0.2
116.92883	0.3
125.09641	0.2
153.09265	0.4
161.04581	0.2
170.19136	0.1
171.10268	0.9
181.12318	0.2
185.11929	0.4
197.11879	0.5
209.11815	1.4
210.12271	0.3
221.05803	0.2
235.08304	0.2
239.12903	0.2
245.19246	0.2
253.09242	0.7
287.16547	0.2
289.18048	2.5
289.20911	0.2
290.18381	0.7
291.19763	0.6
305.17499	0.3
307.19168	1.7
308.19595	0.4
309.20721	0.7
325.20370	0.5
327.21817	0.7
328.22256	0.2
448.76340	0.2
464.28815	0.2
469.31906	0.2
525.26819	0.2
543.28412	0.3
611.49097	0.2
612.41949	0.1
615.56476	0.2
816.46057	0.2
834.46857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.6
61.98535	1.0
61.98829	15.5
62.07848	0.7
67.32158	0.6
69.03433	2.0
69.93008	2.6
71.01376	9.8
71.05011	1.9
72.99284	0.7
73.02943	2.4
80.02666	1.9
81.03455	2.8
83.01392	1.2
83.05034	4.0
84.02183	1.5
85.02940	4.2
87.00845	1.6
89.02452	5.7
95.01430	0.7
95.05029	3.0
95.72341	0.6
96.96030	3.2
97.02925	1.9
97.06583	2.4
99.04485	1.9
99.08135	1.0
101.02415	6.9
107.04997	1.3
108.02214	1.0
109.06589	2.2
109.07282	0.6
110.03734	0.7
113.02419	3.6
115.07616	1.3
116.92878	0.9
119.03519	1.3
120.05756	0.7
121.02945	1.0
121.06603	1.4
123.04539	4.3
123.08145	1.6
125.06075	1.0
125.09724	7.1
126.90485	1.8
127.07655	3.5
127.11266	0.8
132.81689	0.6
135.08159	3.8
135.58530	0.7
137.06052	0.8
137.09720	2.5
139.07591	1.4
141.09178	1.1
141.12849	0.9
143.03497	1.2
145.05032	1.3
149.09808	0.8
151.11247	0.9
153.08081	1.1
153.09219	13.8
155.10765	1.1
161.04517	2.7
161.09756	0.8
163.07584	0.9
163.11298	10.3
165.09151	0.8
165.12836	2.4
171.10265	31.8
172.10672	0.7
177.12828	1.4
178.09967	2.4
179.05666	1.2
179.10648	1.0
181.12291	1.8
185.11844	12.2
189.12869	1.2
191.10735	1.9
191.14383	9.5
193.12233	0.8
197.11795	7.2
201.11075	0.7
207.10233	4.6
209.11813	43.0
210.12134	1.8
211.13351	2.5
217.15942	1.2
219.13898	1.8
223.13477	1.4
225.11339	4.4
227.12950	1.1
229.14395	0.9
235.08186	4.8
235.13272	1.5
236.10732	1.1
237.14500	0.7
238.12070	2.1
245.15424	0.9
245.19078	16.8
246.19537	1.1
249.14848	0.9
253.09291	16.2
261.18674	1.2
271.17160	3.4
279.19730	1.2
281.21280	0.8
287.16489	4.9
289.18085	78.5
290.18414	6.0
291.19711	3.6
297.20801	1.3
305.17557	9.8
307.19131	100.0
308.19473	8.4
309.20547	5.3
310.20963	0.7
325.20175	22.9
326.20398	1.8
327.21777	11.1
328.22006	1.4
407.19235	1.4
407.25830	1.0
419.72714	0.7
425.26709	1.3
455.27115	0.8
474.21295	1.3
525.26984	5.2
526.27765	0.9
541.26636	1.1
543.28101	15.5
544.28412	2.1
561.29181	3.8
563.30927	0.8
709.37775	1.5
727.38239	0.8
746.38300	0.9
764.40051	3.0
815.45764	6.5
816.46088	1.8
833.46869	11.7
834.47546	2.9
851.48560	6.6
852.48120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	1.5
59.01384	18.3
61.98832	25.4
69.03429	1.5
71.01381	17.3
71.05019	2.4
72.99286	1.7
73.02953	3.4
78.95872	1.7
80.02680	2.7
81.03461	6.0
83.05015	9.8
85.02952	6.6
87.00868	4.3
89.02442	10.2
95.01405	3.0
95.05037	4.4
96.96011	2.3
97.02953	3.4
97.06592	3.0
99.00852	2.2
101.02456	12.6
107.05030	4.7
109.06601	5.4
111.04499	1.5
111.08151	5.6
113.02487	7.3
115.07639	2.5
119.05111	1.8
121.02901	1.7
123.04486	2.0
123.08155	4.1
125.06088	3.9
125.09721	10.6
126.90499	4.2
127.07626	7.3
127.11267	1.8
135.08160	5.6
137.06096	1.9
137.09676	2.0
139.07693	2.9
143.07143	2.6
145.05055	3.8
149.09724	1.9
151.07698	2.3
151.11282	5.0
153.09218	9.8
153.12854	5.4
155.10757	5.5
161.04515	5.2
163.11288	11.1
165.12863	5.2
165.37389	1.4
167.10757	3.4
169.12337	4.1
171.10260	5.9
175.11220	1.9
176.08423	3.2
177.12842	1.9
178.10005	3.1
179.05626	1.9
179.10780	3.2
179.14415	3.5
181.12346	7.3
185.11864	10.2
186.12100	1.7
187.09744	1.9
191.10812	6.9
191.14429	2.9
195.13875	3.5
197.11813	27.3
199.13438	1.9
203.14453	1.6
205.12354	1.7
206.66147	1.8
207.10281	10.0
207.13974	3.3
209.11818	100.0
210.12172	5.3
215.12849	3.9
217.12343	1.9
223.13399	2.3
225.11389	5.6
227.12837	4.2
229.54358	1.7
235.08261	11.3
237.14883	1.7
238.12054	2.4
243.17610	2.1
245.19116	14.0
246.19319	1.6
247.13397	3.0
247.20676	3.9
253.09288	22.9
259.17084	1.9
261.18604	5.0
263.20166	4.6
265.14432	3.4
269.15616	2.0
273.18466	2.7
277.18152	2.6
279.19598	4.3
287.16586	11.0
289.18115	28.5
290.18524	2.5
291.19681	34.0
292.20016	2.7
293.08987	1.6
293.21396	1.9
305.17584	66.1
306.17972	5.3
307.19159	93.4
308.19507	8.3
309.20709	88.6
310.21036	5.6
323.18655	12.9
323.22125	2.7
325.20212	16.7
461.19656	1.7
523.25391	3.2
525.27118	3.3
527.28552	1.9
541.26495	14.0
542.27002	2.1
543.28162	31.0
544.28601	3.1
545.29657	13.6
546.29352	1.8
559.27850	1.7
679.36896	12.1
680.37579	2.0
705.38293	1.5
707.40784	3.2
717.37952	1.8
735.39453	3.0
737.41870	2.5
753.40466	4.7
764.39661	4.2
793.44250	2.8
815.45886	8.1
816.46472	3.5
833.46942	53.9
834.47620	12.4
851.48260	14.4
852.48273	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	851.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.1
61.98828	8.2
69.03481	1.6
70.81462	1.9
71.01375	8.8
71.05003	1.3
73.02956	1.8
74.18380	0.8
80.02667	2.5
80.35150	0.7
80.96509	1.7
81.03461	2.9
83.01414	1.9
83.05026	7.2
85.02956	3.1
87.00859	1.8
89.02452	6.4
93.03491	1.3
95.01390	1.4
95.05019	3.2
97.02919	3.9
97.06568	2.8
99.00867	0.9
101.02432	7.6
101.10150	0.9
106.04235	1.1
107.05038	6.6
108.02151	1.0
109.06561	3.4
110.03738	1.3
111.00832	1.3
111.98477	0.8
113.02486	4.7
113.06079	1.9
119.03448	1.9
121.02980	1.7
122.03725	1.3
123.04537	2.2
123.08152	2.8
125.02452	2.6
125.06106	3.7
125.06917	0.7
125.09733	10.7
127.07632	1.5
127.11216	0.9
135.04555	0.9
135.08165	6.2
137.06052	1.4
143.03484	0.9
147.04456	1.4
151.11337	1.2
153.09198	10.0
153.12794	0.9
161.04570	4.2
161.05867	1.0
161.09711	1.0
163.11281	14.5
165.09100	1.0
165.12845	12.0
171.10258	7.1
176.08389	3.6
177.09204	1.0
177.12770	0.9
178.10002	2.7
179.05623	1.0
179.10745	1.4
179.14348	2.0
181.12315	3.6
185.11876	5.5
187.09766	1.0
189.09172	1.0
191.10780	6.2
192.11522	0.9
193.15987	3.0
197.11838	16.2
203.10919	0.8
207.10219	10.7
207.13855	0.9
209.11815	93.2
210.12160	4.8
211.13347	1.1
216.07889	0.8
217.12305	2.8
217.19531	1.0
219.17523	1.6
223.13310	3.0
225.11316	5.3
227.12775	1.2
228.16806	0.9
233.19145	0.9
235.08167	5.1
235.13321	1.3
236.10579	2.0
243.17509	2.1
245.15471	2.0
247.20648	8.9
248.83653	0.8
253.09235	16.2
261.18597	4.6
269.15475	1.7
273.18561	2.8
277.18182	3.7
279.19479	1.7
287.16550	15.2
288.16824	1.1
289.18137	1.9
291.19653	83.9
292.19986	5.3
293.21292	1.0
295.19156	1.6
300.10541	0.8
305.17584	76.3
306.17899	5.0
307.19110	2.3
309.20694	100.0
310.21106	8.1
317.43597	0.8
323.18625	15.9
324.18771	1.3
397.86606	1.0
425.27252	1.0
443.27454	0.8
445.20679	1.2
461.20642	1.1
523.25299	5.6
527.28455	1.9
541.26495	25.8
542.26971	2.3
545.29431	1.6
559.27631	3.6
629.32410	0.9
707.37115	1.9
753.40619	8.0
754.41443	1.8
764.40173	2.0
782.41345	1.0
815.45807	3.0
833.46912	47.9
834.46863	10.4
851.32941	1.0
851.48096	14.9
852.48438	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	850.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98829	100.0
62.98535	0.2
70.47423	0.3
71.01408	0.2
71.65203	0.1
78.95905	0.3
79.95761	0.1
80.96526	0.1
85.02956	0.3
88.98808	0.1
96.96030	0.3
98.19957	0.1
109.98158	0.1
116.92863	0.5
126.90541	0.1
166.63448	0.1
171.10295	0.2
209.11920	0.4
230.42969	0.1
250.41791	0.1
305.17612	0.2
307.19263	0.3
356.10236	0.1
497.84717	0.1
543.28827	0.1
607.26459	0.1
850.39545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.48923	0.1
63.74428	0.1
69.36958	1.2
70.78625	0.2
71.44739	0.1
110.93152	0.2
160.47672	0.2
277.21805	0.2
569.25500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.06267	0.3
80.96503	0.2
116.92809	0.2
122.17854	0.2
124.60051	0.2
223.13422	0.2
286.22977	0.2
416.16766	0.2
441.79935	0.2
664.09222	0.2
849.47089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98827	100.0
62.25768	0.1
64.39667	0.2
66.30702	0.1
68.79352	0.1
71.01388	0.4
73.02956	0.1
74.36199	0.1
75.00878	0.2
76.86298	0.1
77.51074	0.1
80.96509	0.4
87.00903	0.2
88.98823	0.1
89.02436	0.2
95.30736	0.1
96.96017	0.5
97.06606	0.1
98.20283	0.8
101.02463	0.4
102.59465	0.1
107.05042	0.3
109.06587	0.3
111.08169	0.2
113.02480	0.3
116.92886	0.2
125.09748	0.3
126.90517	0.2
135.08133	0.2
151.07666	0.2
153.09227	0.2
161.04597	0.2
163.11339	0.2
165.12914	0.1
166.62898	0.1
171.10265	1.0
195.13931	0.2
197.11815	1.2
201.11330	0.6
203.10735	0.2
207.10284	0.3
209.11856	1.2
211.13417	0.2
235.08154	0.3
243.17525	0.2
245.18959	0.2
247.13394	0.4
247.20723	0.1
253.09198	0.8
261.18573	0.2
287.16467	0.5
289.18018	1.6
291.19608	1.2
305.17578	1.5
307.19171	0.8
309.20670	2.2
323.18640	0.3
408.43881	0.1
527.71667	0.2
541.26483	0.3
548.65393	0.2
631.46747	0.1
793.43903	0.2
832.46753	0.3
833.46820	0.9
842.02258	0.1
851.35150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	3.0
63.96240	1.1
64.93704	0.9
71.01382	8.3
71.14091	1.7
73.02956	1.6
78.98599	7.0
79.95735	17.7
80.96516	85.3
83.01408	1.0
85.02956	3.7
87.00851	2.6
89.79357	0.8
94.98087	19.7
96.96030	1.6
97.02937	1.4
101.02441	2.5
106.98095	4.6
113.02411	0.8
122.97580	4.4
125.02449	4.3
134.97578	5.6
136.99121	1.4
141.98232	0.9
145.81337	0.8
148.99150	6.0
152.98660	5.6
161.59341	0.8
164.98618	12.2
206.99684	2.4
225.00735	19.6
255.23378	1.4
277.14136	0.9
473.47028	0.8
496.91385	1.0
537.27344	1.8
591.24463	2.3
644.73584	1.0
680.50903	1.0
749.41901	1.2
760.58734	0.8
847.48767	100.0
848.49030	21.0
879.81378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	21.0
62.10942	8.2
71.13540	14.5
71.88692	9.9
76.99551	7.5
88.67795	8.1
91.69511	7.8
197.11812	14.7
253.09163	14.5
277.21750	100.0
289.18268	10.4
291.19540	10.8
307.19202	10.8
309.20685	42.4
427.76157	9.5
841.48297	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	841.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94147	4.1
61.98819	4.3
67.34812	4.1
70.72643	11.6
89.27074	3.9
93.06920	4.9
98.16392	4.2
118.49828	5.2
118.82093	4.2
235.08183	9.8
253.09253	15.0
270.79703	4.5
277.21722	100.0
278.21979	5.8
291.19705	30.4
309.20728	57.9
396.58768	4.7
564.53052	5.5
596.19043	4.9
841.48553	41.6
842.48969	12.9
858.68237	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	843.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.3
61.98832	3.8
69.46883	0.4
71.01391	4.7
71.05016	0.8
71.21876	0.8
73.02941	1.0
76.72639	0.5
80.02676	1.2
81.03460	1.9
83.01368	1.0
83.05023	5.9
84.02172	1.2
85.02953	2.0
87.00859	0.8
89.02444	2.5
95.05012	1.4
96.96021	1.1
97.02943	0.7
97.06559	1.0
101.02431	4.5
113.02438	1.6
115.07640	1.3
116.84277	0.5
116.92876	3.2
117.92831	0.5
119.03510	0.4
122.73492	0.5
125.06048	1.1
125.09713	2.0
126.90545	0.6
127.07623	2.1
135.08157	1.6
137.09763	0.8
139.07602	0.8
153.09209	4.4
155.10692	0.7
161.04546	1.8
163.11299	5.0
165.12827	3.5
165.25449	0.5
171.10277	8.8
172.10530	0.6
178.10028	0.9
179.05496	0.5
181.08698	0.4
181.12355	0.8
183.13834	0.5
185.11829	2.9
186.58113	0.5
191.10747	1.7
191.14439	1.3
193.12355	0.5
197.11813	3.3
201.12579	0.6
207.10266	0.6
209.11819	100.0
210.12152	5.7
211.13377	0.5
225.11279	0.5
227.12881	14.3
235.08156	2.6
236.10481	0.7
238.12036	1.0
245.19099	1.6
253.09244	7.1
263.20148	0.5
289.18066	8.4
290.18503	0.9
297.20789	0.7
307.19147	35.6
308.19489	3.5
325.20178	12.3
326.20602	0.9
445.20831	1.8
474.21677	0.6
525.26953	2.3
543.28156	9.4
544.28491	1.5
561.29266	2.0
561.93439	0.5
636.07794	0.5
666.33112	0.8
684.33386	1.7
685.35486	0.7
687.03625	0.6
735.39807	3.8
736.40198	0.9
753.40887	3.9
754.40356	0.8
771.41681	1.6
802.43512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.9
63.75837	0.1
64.36215	0.1
68.99578	0.3
71.51602	0.2
73.02945	1.6
82.10376	0.2
88.98810	0.2
92.34547	0.2
99.00857	0.2
99.92588	12.8
100.92613	0.8
112.98576	0.3
114.93417	0.5
116.92864	100.0
117.01949	2.9
117.92879	4.5
149.68581	0.2
164.74751	0.2
253.09293	0.2
277.21756	0.3
279.23102	0.2
343.21243	0.2
764.47809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.9
64.19227	0.1
68.41622	0.1
69.64478	0.1
71.52027	0.2
72.60561	0.1
72.88710	0.1
73.02951	1.4
75.69070	0.1
88.98814	0.2
99.92587	11.8
100.92588	0.4
106.86757	0.1
114.93420	0.8
116.92862	100.0
117.01933	2.7
117.92873	4.9
126.90499	0.3
196.63541	0.1
235.08342	0.1
253.09210	0.2
277.21722	0.3
279.23428	0.4
343.21219	0.2
419.19595	0.2
449.18851	0.1
470.55325	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	839.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
61.98833	3.7
69.35652	2.4
69.93179	0.3
71.01372	4.7
73.02943	1.3
80.02673	1.0
81.03461	1.5
83.01393	0.5
83.05026	5.3
84.02168	1.0
85.02932	1.6
87.00885	1.0
89.02432	3.2
95.05023	0.7
96.79546	0.3
97.02944	0.5
99.92583	0.4
101.02442	3.6
104.62811	0.4
113.02437	2.3
116.92860	6.6
119.03477	0.9
125.06181	0.5
125.09727	0.4
127.11291	0.5
129.79654	0.3
133.05125	0.3
135.08160	1.1
143.03517	0.4
144.44777	0.4
145.05052	0.6
161.04575	1.4
163.11279	3.9
165.12852	2.6
171.10263	9.0
172.10652	0.5
179.05655	0.9
181.12389	0.8
183.76976	0.3
185.11839	0.9
188.20154	0.3
191.09219	0.3
191.10773	1.7
197.11855	0.9
201.11354	0.4
209.11816	100.0
210.12157	5.4
227.12865	10.7
228.13234	0.6
235.08286	2.3
237.11418	0.3
241.96848	0.4
245.19133	0.5
253.09274	11.1
253.11868	0.7
254.09525	0.4
264.88330	0.3
277.21707	73.9
278.22046	6.9
289.18213	2.0
293.21289	0.8
297.57889	0.3
300.58444	0.4
307.19080	6.2
325.20221	1.1
333.42603	0.4
343.21268	0.8
387.76837	0.4
543.27820	0.6
732.46887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.5
61.98832	2.9
69.03458	0.7
70.01003	0.9
71.01381	5.9
71.05006	0.4
72.99314	0.3
73.02954	1.5
81.03458	0.5
83.01378	0.6
83.05034	0.7
85.02950	4.6
87.00877	1.0
89.02449	4.4
95.01389	0.6
95.05015	0.7
97.02953	1.0
97.06590	2.2
101.02438	4.6
109.66062	0.2
111.08177	0.4
113.02470	3.0
116.92789	0.3
119.03510	1.2
123.08155	0.4
125.09708	0.8
127.11291	1.4
137.09711	1.1
143.03467	0.6
145.05061	0.6
155.10721	0.8
155.14461	0.3
155.77328	0.2
156.39836	0.3
161.04549	2.3
163.11299	0.5
165.12810	1.0
167.14378	0.6
168.92453	0.2
171.10269	11.6
172.10535	0.5
177.12845	0.9
179.05605	1.0
179.10736	0.3
179.14360	0.6
181.12306	0.3
183.13902	2.4
185.11821	1.1
193.12303	0.8
195.13907	7.9
196.14459	0.8
197.11792	0.7
199.13382	0.3
201.11334	0.3
203.10742	0.5
205.12555	0.3
209.11795	1.6
211.13390	12.5
212.13777	0.8
221.11841	2.1
222.12183	0.4
223.13394	5.1
224.13953	0.4
227.12949	0.4
228.13667	0.8
229.14433	9.6
230.14755	0.4
231.21112	0.3
235.08228	7.4
239.12894	1.6
247.20639	0.4
253.09285	32.6
254.09546	1.1
256.13077	0.8
265.21802	0.3
275.17313	0.5
275.20166	4.6
276.20422	0.4
291.19696	3.9
292.19901	0.4
293.21228	100.0
294.21576	7.7
309.20688	6.8
310.21140	0.7
327.21759	68.1
328.22101	5.8
492.21890	0.8
527.28662	0.3
529.30145	2.6
530.30151	0.4
545.29547	2.0
563.21747	0.3
563.30750	5.4
564.30695	0.8
603.42542	4.5
604.42896	0.9
616.94489	0.3
839.51764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
61.98822	0.8
63.96241	2.0
71.01382	12.5
71.50838	0.8
72.99294	0.8
73.02936	2.0
78.95890	1.9
78.98608	7.6
79.51726	0.5
79.95736	15.9
80.96521	98.1
81.03443	0.8
82.96100	3.0
83.23807	0.6
85.02954	4.0
87.00881	4.3
94.98090	22.0
96.96003	1.7
97.02947	2.3
97.80564	0.5
99.00893	1.0
101.02452	3.4
106.98097	5.3
122.97584	4.2
125.02457	3.5
127.03990	0.7
133.66869	0.6
134.97600	6.7
136.99110	1.7
148.99144	7.2
152.98607	6.3
152.99649	0.7
164.97324	1.1
164.98631	14.0
206.99677	2.6
225.00722	19.2
227.00375	0.6
277.21683	2.1
278.21909	0.9
279.23257	2.4
280.23578	1.3
521.24323	0.7
559.25574	1.8
561.27173	1.0
725.77966	0.7
757.46356	1.2
765.52734	0.8
829.16760	0.7
839.49725	100.0
840.50153	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	839.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.1
61.98535	1.6
61.98826	17.7
64.23894	0.8
69.03437	2.6
69.77604	5.3
71.01385	9.6
71.05028	1.4
73.02930	1.9
78.95891	4.3
79.95744	2.4
80.02674	1.2
80.96517	4.7
81.03439	1.9
83.05019	3.9
84.02154	1.1
85.02961	5.9
88.98840	1.1
89.02460	4.7
91.05569	0.9
95.01367	1.9
95.04997	2.6
96.96014	55.9
96.96978	3.5
97.06608	2.0
99.08106	0.9
99.45010	1.1
101.02442	5.9
109.06591	2.0
113.02433	3.6
115.07619	1.5
116.92850	3.7
119.03475	1.6
121.02921	1.0
123.04485	1.2
125.09715	3.7
126.90444	1.3
127.07623	4.0
134.89415	1.0
135.08148	2.0
139.07623	2.1
145.05061	1.5
153.09198	9.3
154.09488	1.2
155.10796	1.2
161.04549	3.1
163.11337	4.8
165.12851	1.7
167.10733	4.4
171.10277	12.8
177.12804	1.1
178.09903	2.4
179.05545	1.3
179.10728	3.2
179.14352	4.1
185.11771	6.3
191.10793	2.1
191.14352	1.4
195.13889	10.3
197.11833	6.1
203.84879	0.9
205.10612	1.1
205.12352	12.1
207.10208	1.4
209.11807	48.7
210.12184	1.7
211.13263	1.2
221.15395	1.3
223.13380	100.0
224.13705	5.9
227.12807	1.2
235.08197	6.2
236.10611	2.0
238.12076	2.7
241.93092	1.1
245.19035	3.6
253.09270	15.5
265.18036	1.4
279.19440	1.4
289.18109	15.1
290.18405	1.2
307.19122	67.3
308.19528	6.2
325.20184	23.4
326.20612	2.0
372.46301	1.0
407.18759	1.2
459.22284	12.2
525.27087	6.5
543.28046	19.8
544.28381	2.4
561.28918	2.2
613.31781	1.5
680.34009	4.7
731.40277	2.0
749.41034	17.8
750.41217	4.3
767.42017	4.4
839.50012	3.7
840.50702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58396	0.1
61.98830	100.0
62.98540	0.2
69.84634	0.8
80.96517	0.6
83.53870	0.2
110.34029	0.1
110.51958	0.1
124.42197	0.1
131.97498	0.2
417.25183	0.2
428.49234	0.2
454.64774	0.2
522.53973	0.2
839.50537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69078	0.2
59.01377	1.1
61.98835	1.2
71.01377	0.7
71.52802	0.2
73.02948	0.6
77.90102	0.2
85.02950	0.7
87.00861	0.3
95.01390	0.2
96.96018	0.4
99.13169	0.2
99.92580	9.9
100.92578	0.6
101.02480	0.3
111.03995	0.2
113.02440	0.3
114.93404	0.7
116.92863	100.0
117.01936	0.9
117.92873	4.8
117.93670	0.4
121.89084	0.2
126.90533	0.2
134.89487	0.4
195.06598	0.2
253.93066	0.2
357.00397	0.2
504.39175	0.2
631.36932	0.3
649.38171	0.8
691.39252	0.3
709.39911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.5
59.01380	6.2
61.98833	9.4
64.40425	0.4
65.35516	0.4
69.03444	1.2
71.01382	4.9
71.20973	0.8
73.02940	1.3
83.01385	1.3
83.05027	0.8
84.02158	2.2
85.02946	1.6
87.00861	1.0
89.02440	3.3
95.05034	0.5
97.02932	0.7
97.06586	3.8
99.04520	1.0
101.02444	4.7
113.02451	2.9
119.03482	1.5
121.25273	0.3
125.02460	0.6
125.09764	1.0
127.11238	0.5
133.05083	0.3
143.03459	0.5
145.05067	1.1
157.05023	0.6
161.04562	2.6
165.12851	0.5
171.10286	8.9
172.10609	0.4
179.05586	1.0
181.12332	0.6
183.13899	1.9
185.11784	0.5
193.12332	5.3
197.11906	0.6
199.13457	1.1
204.61754	0.4
211.13377	3.1
221.11830	0.7
225.14957	8.3
226.15228	0.5
235.08220	12.1
236.08441	0.5
239.12891	0.4
243.15977	3.6
253.09264	17.1
254.09715	0.6
273.18570	0.5
275.20276	0.8
277.21716	100.0
278.22049	8.1
279.19534	0.4
291.19589	1.5
291.22580	0.5
305.21210	0.6
311.21710	0.5
323.22223	4.5
341.23309	72.8
342.23685	7.0
486.30539	0.4
513.30829	0.6
521.90198	0.4
559.29968	0.5
564.22577	0.4
577.32214	1.4
601.44702	3.6
602.45081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.4
61.12120	0.3
61.98821	0.8
65.90083	0.3
69.03451	0.6
69.18782	3.1
71.01382	5.7
71.05015	1.0
72.99291	0.4
73.02947	1.2
75.00234	0.4
80.02677	1.0
81.03452	0.7
83.01382	1.2
83.05022	1.4
84.02161	0.5
85.02947	1.6
87.00864	1.3
89.02452	3.9
94.19238	0.3
94.19829	0.3
95.01390	0.6
95.05009	1.0
97.02926	1.3
97.06570	0.9
98.19926	0.7
99.04475	0.5
101.02436	5.3
109.06593	0.5
110.03750	0.5
111.08167	0.9
113.02455	2.8
119.03510	0.8
123.04527	1.0
123.08160	0.9
125.02395	0.4
125.06075	0.7
125.09718	2.8
127.07645	1.1
127.11257	0.3
135.08145	0.9
137.09711	0.9
139.07663	0.3
141.12820	1.0
142.18095	0.3
143.03481	0.6
145.05023	0.6
151.11307	0.3
153.09207	5.3
155.10799	0.4
161.04558	1.8
161.09607	0.3
163.11292	4.8
165.09282	0.6
165.12837	7.3
166.13101	0.3
167.14520	0.4
171.10266	8.2
177.12788	0.5
178.09970	1.0
179.05588	0.8
179.14417	2.1
180.14771	0.3
181.12335	1.7
185.11792	1.9
191.10741	0.6
191.14395	0.7
193.15956	1.8
195.13890	4.4
196.14481	0.5
197.11888	2.2
207.10226	1.0
209.11818	15.3
210.12231	0.6
211.13367	0.6
217.16042	0.3
217.33969	0.3
219.17540	0.4
223.13365	5.0
225.11380	0.3
227.12741	0.4
228.13683	0.4
230.65587	0.3
233.58038	0.3
235.08220	2.8
238.12170	0.4
245.19041	1.0
247.20663	7.4
248.20911	0.7
253.09273	17.0
254.09621	0.6
256.12976	0.6
263.20172	0.4
273.18594	2.6
275.20157	2.5
279.19720	0.4
286.86090	0.3
289.18066	4.4
291.19653	84.4
292.20001	7.0
293.21222	38.2
294.21494	3.2
297.20840	0.5
303.19318	0.4
307.19135	19.2
308.19507	1.4
309.20700	100.0
310.21069	8.6
325.20175	7.5
326.20633	0.7
328.58923	0.3
407.19308	0.4
434.74438	0.4
525.27014	1.1
526.27386	0.4
527.28583	0.9
529.30103	0.7
543.28009	3.8
544.28418	0.5
561.29376	1.0
583.39948	0.6
601.41119	0.4
750.42444	1.6
819.49133	6.9
820.49347	1.7
837.50494	2.8
838.50476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
61.98830	2.1
69.03467	0.5
70.51886	0.5
70.52235	0.3
71.01385	3.6
73.02969	0.6
75.26404	0.2
81.03467	0.5
83.01383	0.4
83.05039	0.6
85.02961	1.1
87.00887	0.6
89.02451	2.5
95.01379	0.5
95.05039	0.4
97.02956	0.5
97.06618	0.4
99.00875	0.3
101.02441	3.4
107.05051	0.4
109.06601	0.7
111.00866	0.3
111.08194	1.8
112.98589	0.3
113.02435	1.6
119.03527	0.5
123.08165	0.6
125.06110	0.5
125.09754	1.0
125.85924	0.2
127.07704	0.2
127.11295	0.9
129.09285	0.4
135.08170	0.3
137.09752	0.4
142.02718	0.3
142.78917	0.2
143.03535	0.2
145.05133	0.3
149.09767	0.3
151.11310	0.7
151.86673	0.2
153.09225	0.8
153.12839	2.4
155.10837	0.9
161.04529	1.1
161.09682	0.3
162.10472	0.3
163.11264	1.7
165.09294	0.2
165.12860	2.4
167.10797	1.0
169.12326	0.4
171.10252	0.7
177.12819	0.3
178.10007	0.3
179.05650	0.4
179.10741	0.3
179.14413	1.3
181.12387	2.7
193.15939	1.1
195.13976	0.6
197.11832	3.6
198.12245	0.4
199.13406	0.7
207.10295	0.5
207.13872	1.3
209.11870	3.5
210.12202	1.6
211.13310	0.3
215.12941	0.3
223.13419	1.2
225.11429	0.3
226.11858	0.3
227.12866	0.8
228.13626	0.3
235.08214	2.5
247.20642	4.7
248.20908	0.4
253.09282	6.7
254.09523	0.4
263.20129	0.6
265.21686	0.6
273.18692	2.6
281.21255	0.8
288.17020	0.3
289.18051	0.3
291.19662	44.5
292.20023	4.1
293.21228	3.5
294.21487	1.5
295.21960	0.4
304.23172	0.2
305.17661	1.7
306.17883	1.7
307.18890	1.1
308.19516	0.3
309.20703	100.0
310.21063	8.9
311.22168	0.7
323.01840	0.2
323.18735	0.4
324.19040	0.4
325.19955	0.5
429.30099	0.4
527.28693	2.1
528.29065	0.4
541.26068	0.3
542.26636	1.0
543.27136	0.9
545.29694	11.7
546.29987	1.9
569.16638	0.2
583.39722	0.3
597.30823	0.3
609.14813	0.2
669.09357	0.3
739.42120	0.5
751.10938	0.2
819.48315	3.2
820.49030	0.4
837.50006	2.8
838.49939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
61.98834	2.1
69.03465	0.5
70.65231	0.6
71.01382	3.8
72.22998	0.2
72.99316	0.4
73.02953	1.0
80.02671	0.3
81.03484	0.3
81.61809	0.2
83.01399	0.4
83.05048	0.5
85.02939	1.2
87.00887	1.0
89.02441	2.6
95.01405	0.4
95.05013	0.5
97.02954	0.7
97.06593	0.8
98.03742	0.2
99.00923	0.5
101.02444	3.6
102.08248	0.2
109.06570	0.4
110.03738	0.3
111.08153	0.9
113.02444	1.3
113.06087	0.5
113.09731	0.6
115.07647	0.7
119.03500	0.7
123.04507	0.3
123.08169	0.4
125.06119	0.4
125.09742	0.9
127.07608	0.9
127.11330	0.3
135.08098	0.2
137.09709	0.2
139.11266	0.3
141.09236	0.4
141.12947	0.3
143.03497	0.4
149.09743	0.2
151.11296	0.6
153.12856	0.9
161.04582	1.3
162.10548	0.3
163.11317	1.9
165.09212	0.6
165.12849	4.4
166.13271	0.2
167.10797	0.5
167.14427	0.8
169.12311	0.3
171.10236	1.2
177.12886	0.4
179.05576	0.5
179.14391	0.9
181.12355	2.4
183.13870	0.8
185.11877	0.3
193.12309	0.8
193.16013	1.4
195.13899	1.5
197.11839	3.6
199.13419	1.1
209.11868	1.4
211.13348	2.4
213.14917	0.3
215.12843	0.5
217.15964	0.3
221.11832	0.5
221.15445	1.4
223.13469	1.4
227.12874	1.7
229.14435	1.8
229.19472	0.3
235.08263	2.7
240.40646	0.2
241.14432	0.3
247.20621	5.2
248.21034	0.7
253.09293	9.1
254.09549	0.5
263.20209	0.5
265.21793	0.2
273.18643	2.2
275.20111	0.4
277.21695	0.4
281.21182	0.8
289.18094	0.4
289.99731	0.2
291.19653	56.6
292.19992	5.4
293.21249	3.9
294.21509	0.4
297.20764	0.4
307.19131	1.2
308.19244	0.2
309.20694	100.0
310.21060	9.2
311.22244	0.6
325.20102	0.5
327.21631	0.7
333.20776	0.3
429.30426	0.3
433.20810	0.5
463.21924	0.5
465.31039	0.2
489.58752	0.2
527.28595	2.5
528.28973	0.3
543.28314	0.4
545.29639	8.1
546.29968	1.2
601.40948	0.3
739.42841	0.4
768.43658	0.3
769.43591	0.2
789.00568	0.3
819.48993	1.3
820.48926	0.3
837.49915	3.2
838.50043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41621	0.4
59.01374	4.7
61.98829	22.9
67.01888	0.5
69.03455	0.9
71.01382	6.2
73.02956	1.2
80.02686	0.7
83.01394	0.7
83.05022	1.2
84.58971	0.4
85.02961	3.5
87.00871	1.4
89.02445	3.2
95.01398	0.5
95.04994	1.2
96.96030	0.7
97.02945	1.1
97.06588	1.3
101.02448	4.4
109.06580	1.1
111.04477	0.5
111.08172	5.2
113.02464	2.1
113.09754	0.5
119.03497	1.1
121.06654	0.4
121.10284	0.6
123.08142	0.6
125.09718	1.7
126.90510	4.2
127.11267	0.7
133.04968	0.5
135.08110	0.5
135.59569	0.4
137.09712	1.7
143.03522	0.5
145.05089	1.0
155.10800	0.7
159.40004	0.4
161.04565	2.4
163.11255	1.4
165.12877	2.4
167.10764	1.5
167.14360	0.5
171.10268	17.1
172.10652	0.5
177.12836	1.3
179.05591	0.9
179.10718	0.9
181.12341	0.7
183.13873	1.2
185.11812	1.4
193.12251	0.9
193.16006	0.6
195.13855	3.9
197.11826	4.3
209.11800	4.8
211.13385	17.2
212.13676	1.1
223.13272	1.3
227.13026	0.5
229.14455	3.7
229.22438	0.5
235.08223	10.2
236.08466	0.6
239.12743	0.6
245.19171	0.7
247.20714	3.2
248.20908	0.7
253.09277	16.6
254.09575	0.9
256.14862	0.5
273.18625	2.0
275.20178	0.8
289.18097	2.9
290.18457	1.7
291.19656	100.0
292.19998	9.6
293.21210	5.6
307.19107	2.4
308.19455	0.8
309.20703	39.8
310.21054	4.6
311.21515	0.8
325.20154	1.2
327.21747	36.1
328.22083	4.0
527.28638	10.7
528.28998	1.5
545.29944	2.3
546.30377	0.4
563.30505	2.6
564.31104	0.6
601.41144	1.2
615.18719	0.5
819.48621	1.0
837.49603	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	837.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44082	0.2
60.59090	0.2
61.98843	1.3
70.25803	0.2
71.51016	0.3
71.51375	0.2
73.02940	1.4
96.26708	0.2
99.03168	0.2
99.92587	11.2
100.92603	0.5
101.02464	0.2
102.74917	0.2
114.93427	0.6
116.92863	100.0
117.01943	2.9
117.92878	4.9
122.39291	0.2
122.99100	0.2
129.01987	0.3
166.67322	0.2
171.10333	0.3
241.14420	0.2
253.09230	0.4
277.21744	2.3
278.21869	0.3
279.23148	0.2
291.19641	0.3
310.21265	0.3
320.02832	0.2
341.23349	1.1
501.30084	0.2
514.97400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
60.17838	0.2
61.98830	100.0
71.01392	0.2
71.52459	0.2
74.46011	0.2
81.13580	0.2
85.02968	0.5
88.98836	0.3
96.96024	0.3
116.92865	1.0
126.26359	0.2
126.90544	0.2
164.46596	0.2
275.50604	0.2
288.22546	0.2
483.05933	0.2
535.67932	0.2
748.41992	0.2
836.46539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.2
62.99234	0.1
67.21990	0.1
70.21768	0.1
70.89537	0.1
70.89867	0.1
85.30362	0.1
91.51387	0.1
153.45128	0.1
185.93517	0.1
257.84711	0.1
424.26590	0.1
648.41772	0.1
680.77704	0.1
760.10510	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	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.5
61.98832	28.5
68.99831	2.8
70.57495	3.5
71.01381	9.8
71.05019	3.6
73.02961	1.4
81.03484	1.6
83.01406	1.5
83.05047	2.5
85.02965	3.9
87.00906	1.9
89.02454	5.5
93.03468	2.0
95.05016	2.5
97.02939	1.5
97.06609	1.9
101.02433	8.7
106.04256	1.8
107.05026	6.1
109.06577	3.7
111.08162	2.0
113.02463	4.9
116.92819	1.5
119.03520	2.0
121.06573	1.5
125.09747	2.3
151.07664	11.2
153.09270	1.4
161.04539	1.9
163.11299	1.7
171.10272	4.1
177.12837	6.2
179.10918	1.6
185.11778	1.7
189.12930	1.7
191.14349	3.0
195.13889	20.3
196.14207	1.6
197.11856	4.4
203.10794	5.3
203.14302	1.7
205.12468	1.8
209.11775	4.4
211.13489	1.7
221.11797	2.6
223.13435	6.2
229.12419	3.0
235.08289	6.5
235.13396	5.6
237.14981	9.1
243.17647	2.5
245.19154	2.8
247.13367	18.0
253.09303	20.3
256.13116	1.8
261.18594	5.7
263.20117	1.6
265.14438	4.6
275.20166	6.0
277.21704	3.0
279.19635	2.1
287.16553	9.8
289.18109	14.2
291.19623	12.5
292.20398	1.5
293.21219	100.0
294.21622	9.4
305.17590	29.9
305.20856	2.7
306.17838	2.6
307.19171	15.4
308.19293	1.3
309.20667	16.8
323.18661	1.8
327.21848	3.5
457.20511	2.1
471.22498	2.2
501.23587	2.6
534.41516	1.2
541.26581	2.7
543.27966	3.8
777.44666	7.7
778.44897	2.2
817.47443	6.6
818.48169	2.7
835.48920	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	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.1
61.98829	8.7
63.23238	0.8
66.16424	0.8
69.03464	1.3
71.01383	9.6
73.02948	1.7
80.02689	2.1
81.03436	2.6
83.01389	2.0
83.05021	6.8
85.02954	2.5
87.00873	1.5
87.21853	0.8
89.02441	7.0
91.65757	0.8
94.81371	0.8
95.01416	0.9
95.05016	1.9
96.95986	4.6
96.97007	1.0
97.02949	2.3
97.06577	4.4
98.95586	1.8
99.00883	1.2
99.04532	0.9
99.47688	0.9
99.92590	1.2
101.02444	8.0
107.05009	4.7
109.06586	2.8
110.03725	0.9
111.00877	0.9
111.04510	0.8
113.02441	4.9
113.06047	1.8
114.07357	0.8
115.92068	4.3
116.92863	2.4
119.03491	0.9
121.02968	2.2
123.04530	1.6
123.08202	1.4
125.02429	3.2
125.06102	1.8
125.09718	7.5
135.08119	5.7
141.01982	1.0
149.09769	0.8
151.11333	0.8
153.09210	9.9
161.04594	2.7
161.05917	0.9
161.09682	1.6
163.11301	9.1
165.12848	2.8
171.10240	1.5
176.08438	3.2
177.09236	1.4
178.10010	2.5
179.14389	1.2
181.12312	2.1
185.11833	3.7
189.09219	1.0
191.10738	4.5
195.13887	9.6
196.14394	1.0
197.11838	21.6
198.12119	1.0
205.12274	1.0
207.10255	9.8
209.11821	100.0
210.12146	4.9
217.10408	0.9
217.12419	2.4
223.13356	7.7
225.11385	5.0
227.12857	1.1
228.13525	0.9
229.25728	0.8
235.08215	5.2
236.10512	2.8
243.17528	1.7
245.15439	1.0
253.09221	19.3
256.13156	1.2
259.17026	1.1
261.18542	4.8
263.16473	1.4
269.15582	1.7
275.20187	5.8
276.20480	0.9
277.18073	4.5
279.19589	2.2
287.16556	14.1
288.17004	1.1
289.17984	2.8
291.19684	3.1
293.21225	95.6
294.21567	8.1
295.19067	1.2
305.17584	80.4
306.17999	5.2
307.19147	3.3
309.20648	3.2
323.18637	17.9
324.18884	1.1
433.20676	1.1
445.20517	1.3
523.25342	5.5
529.29889	1.4
535.20325	0.9
541.26544	32.3
542.26538	4.3
559.27551	4.7
736.56329	0.9
737.41125	7.7
738.41711	1.8
748.40466	3.2
766.41510	1.6
799.47668	1.1
817.47388	64.9
818.47687	16.0
835.48511	15.5
836.48590	3.4
847.14484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
61.98829	22.0
69.03438	1.3
71.01378	7.1
72.99289	0.7
73.02927	0.9
73.93623	0.7
78.95900	0.8
80.02661	1.0
81.03428	1.2
83.05020	1.2
85.02942	2.8
87.00864	0.6
88.98801	1.6
89.02431	4.9
95.01389	0.9
95.05010	1.9
95.38497	0.7
96.96017	0.9
97.02927	2.3
97.06589	1.7
99.00863	1.0
101.02438	6.0
103.55332	0.6
109.06588	2.1
111.00854	0.7
113.02444	2.0
116.92855	1.0
119.03419	1.4
121.06556	1.1
123.04514	2.3
123.08170	1.6
125.06116	0.9
125.09713	5.7
127.07626	0.9
134.62906	0.7
137.09708	2.2
141.12842	1.2
143.03500	0.9
149.04773	0.7
149.06050	0.7
150.10535	0.7
152.55034	0.7
153.09177	0.9
161.04506	2.7
161.09773	0.7
162.89091	0.7
163.07605	0.9
163.11282	8.5
165.09137	0.8
165.12836	10.2
166.42084	0.7
167.50529	0.7
171.10258	10.6
177.12875	1.4
179.05580	1.0
179.14423	1.6
181.12402	3.6
185.11830	7.1
188.34001	1.0
189.12703	0.9
191.14392	8.5
193.15883	1.7
197.11795	2.1
203.14352	0.9
207.10280	4.0
209.11812	5.7
217.16025	1.2
223.13382	2.3
225.11298	3.7
227.18123	0.8
235.08279	3.5
241.14403	1.1
245.19070	14.9
246.19427	1.6
247.20692	7.1
253.09296	20.1
254.09683	1.0
263.20300	1.2
271.16974	3.1
273.18585	2.7
277.21719	1.0
287.16458	0.8
289.18091	100.0
290.18451	7.8
291.19656	88.9
292.20035	8.1
293.21176	1.8
307.19144	39.8
308.19489	3.5
309.20709	98.5
310.20999	8.3
325.20227	1.6
328.67502	0.7
340.53488	0.7
409.27573	1.5
427.28735	1.8
427.79639	0.7
525.27051	3.1
527.28778	1.4
543.28046	1.6
545.29803	0.7
755.89233	0.8
768.88867	0.7
799.46326	1.0
817.47681	4.6
818.47925	1.3
835.49573	4.2
836.48572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98831	100.0
71.01420	0.4
71.52244	0.5
78.91881	0.2
78.95901	0.3
80.96534	0.6
85.02983	0.3
85.15937	0.2
89.90421	0.2
92.60113	0.2
96.96040	0.4
101.02486	0.3
116.92883	0.7
126.90524	0.2
171.10294	0.3
178.57146	0.2
209.11928	0.9
235.08345	0.4
253.09377	0.5
273.17072	0.3
286.95389	0.3
289.18259	0.6
291.19553	1.2
307.19128	1.3
309.20584	1.7
356.28094	0.3
834.39764	0.3
835.50269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.8
59.01382	10.9
61.98829	1.5
69.31333	3.6
71.01385	8.0
72.99297	0.8
73.02953	1.4
80.02673	1.4
81.03461	1.8
83.01378	1.3
83.05029	5.6
84.02147	1.1
85.02939	3.9
87.00875	2.0
89.02445	7.9
89.78794	0.4
90.08557	0.4
92.14562	0.5
95.01395	0.8
95.05006	0.8
96.96006	0.7
97.02961	1.1
99.00882	0.7
99.92596	0.4
101.02436	7.6
113.02458	3.7
116.92858	1.3
119.03493	2.3
125.02454	3.4
128.03511	0.7
135.08205	1.0
143.03477	1.1
143.04559	0.6
161.04573	1.7
163.11296	4.3
165.12852	2.9
171.10236	0.6
179.05646	2.5
191.01973	0.6
191.10704	0.9
209.11819	100.0
210.12184	6.2
215.69899	0.4
221.06763	0.6
227.12897	17.1
228.13179	0.5
235.08191	2.5
243.48119	0.4
247.13342	0.5
251.12776	0.4
276.72488	0.4
287.07886	1.1
305.08847	0.8
307.10513	0.5
320.21591	0.5
323.09744	0.7
359.14294	0.4
379.12445	2.1
397.13477	20.3
398.13708	1.5
415.14590	5.9
607.26062	1.4
799.37909	0.9
835.37677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98830	100.0
62.98540	0.1
63.47105	0.1
67.45155	0.1
70.38465	0.2
71.01381	0.2
76.17440	0.1
85.02983	0.2
91.46319	0.1
99.92606	0.3
113.92805	0.1
116.92855	2.2
126.90517	1.9
134.89514	0.1
171.10298	0.2
195.56056	0.1
196.32027	0.1
209.11896	0.3
212.19086	0.1
216.30804	0.1
218.80624	0.1
283.92188	0.1
472.20175	0.1
578.72192	0.1
604.50037	0.1
714.60291	0.1
834.37744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98830	100.0
62.98517	0.1
70.73480	0.2
70.73810	0.1
84.01003	0.1
90.27512	0.1
95.75733	0.1
161.04541	0.1
171.10313	0.1
197.11821	0.1
209.11873	0.3
253.09322	0.3
275.20242	0.2
277.21701	0.2
289.18198	0.4
291.19629	0.2
293.21359	0.4
305.17728	0.3
307.19473	0.2
307.22845	0.3
357.15729	0.1
537.23401	0.1
656.58716	0.1
719.33362	0.1
817.47845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98830	100.0
62.98533	0.2
69.14394	0.3
69.14792	1.4
71.01386	0.3
77.37743	0.1
78.95921	0.7
79.95724	0.2
80.96523	0.4
85.02981	0.3
88.98811	0.1
91.67191	0.1
96.87469	0.2
98.20605	0.3
99.92622	0.3
101.02445	0.2
107.26338	0.2
116.92865	2.4
117.92913	0.6
125.09748	0.1
126.90549	0.2
134.89476	0.4
171.10225	0.9
185.11845	0.3
197.11903	0.4
201.11317	0.5
207.10248	0.2
209.02985	0.2
209.11891	0.8
213.11371	0.2
225.11356	0.2
253.09363	0.2
273.17163	0.7
307.19223	0.3
309.20917	0.3
327.21707	0.3
348.30722	0.2
359.98853	0.2
429.44418	0.2
832.46478	1.1
833.39325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.1
61.98829	100.0
62.98515	0.2
66.37772	0.1
116.92873	0.2
124.34959	0.1
134.89470	0.4
135.89462	0.2
136.89194	0.2
147.15556	0.1
211.87300	0.1
229.22653	0.1
238.40054	0.1
253.87383	0.1
273.17139	0.1
274.17303	0.1
277.21863	0.3
278.22174	0.3
341.57297	0.1
442.07944	0.1
484.29968	0.1
696.84186	0.1
733.24249	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	830.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.84592	0.1
93.01933	0.1
116.92886	0.1
134.89458	0.2
135.89621	0.1
165.80779	0.1
229.12343	0.1
229.29771	0.1
277.21918	0.3
278.22119	0.2
829.44116	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	830.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85213	0.1
60.92821	0.1
61.98828	100.0
73.99600	0.1
79.44135	0.1
104.74239	0.1
116.92871	0.4
134.67317	0.1
139.28552	0.1
141.68605	0.1
197.11914	0.2
209.11896	0.1
252.23657	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	830.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98540	0.2
63.15862	0.1
65.91998	0.2
71.43414	0.3
116.92872	0.5
139.45358	0.2
277.21747	0.2
321.23560	0.2
343.41263	0.2
521.98206	0.2
528.63562	0.2
724.71887	0.2
759.05487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.64053	0.1
69.62418	0.8
82.01724	0.1
88.09535	0.1
88.98827	0.4
98.19913	0.3
109.41502	0.1
116.86094	0.1
116.92877	0.4
122.37999	0.1
171.10342	0.2
172.10706	0.1
227.55232	0.1
277.22055	0.2
635.67511	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	829.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.8
59.30553	1.0
60.00705	0.8
61.98829	11.1
67.78133	0.8
68.57960	0.8
70.06301	4.1
71.01373	4.0
75.00865	1.9
83.12438	0.8
85.02914	1.2
87.00889	1.4
89.02432	2.5
94.74328	0.8
98.20569	1.1
101.02435	4.5
103.00360	1.8
105.01935	5.5
113.02456	2.4
116.92850	3.9
119.25491	0.9
140.18814	0.8
161.04614	0.9
171.10260	1.5
178.27876	1.0
179.14520	0.8
193.12308	11.1
195.13896	6.9
208.46057	0.9
218.86806	0.9
223.13306	4.4
225.14944	14.4
235.08255	7.0
253.09283	13.0
257.17578	100.0
258.17926	6.5
275.20111	7.3
277.21762	2.3
293.21228	67.3
294.21487	6.9
397.13986	1.1
493.26495	2.4
494.26712	1.1
529.30084	1.7
533.38263	1.0
671.46222	0.9
810.40649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
61.98822	6.9
69.03449	3.2
71.01369	8.4
73.02949	1.8
81.48886	0.8
83.01382	1.9
83.05034	1.8
85.02950	10.6
87.00874	3.1
89.02450	6.7
95.05045	1.9
97.02966	0.9
97.06612	2.5
101.02456	5.8
108.05859	1.0
110.77126	0.9
113.02461	4.6
116.92873	3.3
119.03493	1.5
125.09734	2.2
127.11298	1.3
128.85107	0.8
128.98051	0.9
137.09746	2.6
143.03455	1.3
145.05048	1.2
149.09647	1.3
155.10820	1.5
160.00856	0.8
161.04572	3.4
167.10770	2.6
171.10262	29.9
172.10638	1.5
177.12796	1.3
179.10735	1.1
179.14409	2.6
183.13922	3.0
195.13898	13.1
197.11816	1.6
199.13451	1.2
201.11159	1.1
205.12341	11.2
209.11794	1.8
211.13361	14.2
221.11774	2.0
223.13374	100.0
224.13730	5.8
227.12943	1.6
229.14409	9.8
235.08240	17.1
239.12907	2.1
253.09261	29.1
254.09613	1.5
278.09222	0.9
291.19678	8.4
302.59616	0.9
309.20636	13.9
310.21094	1.1
327.21747	97.4
328.22131	8.4
355.65720	0.9
459.22342	24.9
460.22693	2.9
533.34808	3.0
545.29614	12.5
546.30133	1.3
563.30640	12.3
564.30878	1.9
769.43610	11.4
770.44171	3.1
847.81189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
60.99313	0.7
61.98829	100.0
62.74300	0.1
62.98536	0.2
66.15623	0.1
80.96511	0.2
88.00406	0.4
88.98806	4.1
116.92874	0.3
219.58360	0.1
260.80142	0.1
368.25943	0.1
393.77130	0.1
515.37177	0.1
526.61493	0.1
784.40161	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	827.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.3
61.98828	8.8
62.83335	1.0
63.67350	0.9
66.97710	1.0
69.03458	3.4
70.45972	1.9
70.46349	2.7
71.01386	3.9
82.48158	0.9
85.02945	1.2
86.66808	1.0
87.00879	1.2
87.93336	0.9
89.02432	4.0
97.02938	6.9
101.02444	4.0
111.04436	1.5
116.92870	2.4
123.08163	1.9
125.09696	1.8
136.05338	1.0
142.02682	2.4
161.04539	1.7
161.09709	1.8
163.11305	10.2
171.10231	1.3
179.10738	6.3
195.13861	2.8
201.85005	1.1
207.10246	49.6
208.10536	2.2
211.13438	2.0
225.11238	1.3
235.08211	2.6
239.12878	88.8
240.13199	6.0
252.63586	1.0
253.09314	12.1
254.09666	1.3
257.14066	1.2
271.15497	44.6
272.15775	3.4
277.21710	100.0
278.21973	6.9
279.23288	5.7
280.23633	4.4
280.53821	1.2
327.21497	2.4
328.21976	2.3
329.22577	1.3
361.60696	1.1
492.22128	2.8
507.24274	4.5
711.49542	1.2
716.73090	1.1
752.43097	1.8
753.79199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08057	25.4
61.98819	92.8
70.64891	65.7
70.65239	37.5
78.95962	37.7
91.54804	28.8
96.54570	23.9
104.23714	31.7
212.50925	36.5
213.52414	32.3
277.21680	100.0
293.21237	71.5
336.72195	32.2
550.95782	29.6
815.43573	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	827.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	7.7
61.98829	8.6
71.01382	7.9
71.52170	1.4
72.99303	1.2
78.95929	1.3
81.03468	1.4
82.25055	0.9
83.01395	1.0
83.05026	5.7
85.02956	4.2
87.00892	1.5
89.02460	5.2
93.03424	1.1
95.01407	1.4
96.96043	1.8
97.06580	1.2
101.02451	7.1
102.82804	1.0
109.06606	1.3
113.02460	3.6
116.92831	5.0
119.03553	1.4
123.04543	1.7
125.02396	1.2
125.09734	3.2
127.07641	3.1
135.08203	1.6
137.09692	1.2
141.09184	1.4
153.09206	10.4
155.10768	1.3
159.37341	1.1
161.04610	2.1
163.11290	3.8
165.12823	2.6
167.10686	1.6
167.14432	1.2
171.10263	14.3
178.09915	1.6
179.05556	1.2
181.12370	1.7
183.13892	7.7
185.11824	5.6
191.10789	2.4
191.14351	1.5
193.12309	2.6
197.11835	6.2
207.10219	1.9
209.11824	69.6
210.12111	4.5
211.13390	100.0
212.13736	5.3
223.13394	2.5
227.12917	7.1
235.08202	5.5
238.12042	1.8
245.19135	3.1
253.09242	12.6
279.19595	1.4
289.18091	13.7
291.19742	7.0
297.20801	1.1
305.17834	1.1
307.19144	63.3
308.19489	5.7
309.20703	23.7
310.20950	2.4
325.20166	20.2
447.22424	4.2
522.86249	1.2
525.27026	4.7
543.28082	21.3
544.28308	4.4
545.29785	3.6
561.29022	3.2
668.34039	3.3
737.41235	16.1
738.41736	3.6
750.77264	1.2
755.41809	3.8
756.42596	1.2
827.45154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98823	0.7
71.01371	0.1
71.36071	0.1
73.02937	0.7
85.02969	0.2
88.98828	0.1
96.44958	0.1
96.96002	0.1
99.00871	0.2
99.92582	11.1
100.92593	0.6
101.02559	0.1
108.19654	0.1
114.93443	0.4
116.92858	100.0
117.01925	1.2
117.92867	5.2
174.04173	0.1
267.55844	0.1
833.53241	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	825.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
60.99306	18.9
61.98820	1.6
67.00431	0.3
67.76066	0.3
69.19222	3.2
87.00867	0.5
88.00400	1.7
88.98806	100.0
89.02441	6.6
89.99149	0.8
99.92641	0.4
100.92578	0.4
114.71316	0.3
116.92872	0.7
149.99185	0.4
171.10291	0.4
223.13362	1.9
291.19614	0.8
308.62048	0.3
323.22302	0.6
365.95682	0.4
562.86987	0.4
700.92731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98830	0.5
70.36871	0.2
70.37251	0.2
71.01388	0.1
73.02578	0.1
73.02937	0.7
85.02982	0.1
88.98808	0.1
96.95983	0.2
99.00883	0.2
99.92581	10.4
100.92597	0.5
114.93420	0.5
116.92859	100.0
117.01940	1.4
117.88934	0.1
117.92864	4.6
137.65536	0.1
139.98938	0.1
191.02081	0.1
276.62585	0.1
291.19867	0.1
367.16510	0.1
503.33463	0.1
582.55713	0.1
655.91034	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	823.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.3
59.01379	8.8
61.98820	1.2
68.99549	0.3
69.03466	1.3
69.71602	0.2
71.01383	8.0
71.05010	0.3
71.26228	0.3
72.99307	0.6
73.02953	2.0
81.03456	0.4
83.01398	1.8
83.05041	0.8
84.02163	0.2
85.02954	7.5
86.00099	0.2
87.00872	1.9
89.02448	5.2
91.04012	0.5
95.01392	0.9
95.05025	0.6
97.02956	1.6
97.06598	2.7
99.00867	0.5
101.02444	7.6
103.04012	0.3
109.06606	0.2
110.46542	0.2
111.00869	0.2
111.04520	0.3
112.98561	0.3
113.02451	4.3
115.04005	0.3
119.03493	1.8
119.08681	0.2
123.08225	0.3
125.02434	0.6
125.06107	0.2
125.09747	0.9
126.86916	0.2
127.07655	0.5
127.11276	1.3
129.01926	0.2
131.03526	0.2
133.05043	0.8
137.09760	1.3
143.03503	0.9
145.05063	1.6
149.04593	0.2
153.12735	0.2
155.10771	1.2
155.14417	0.6
157.05035	0.5
161.04556	3.7
163.11203	0.2
164.18596	0.2
165.12892	1.1
167.10751	0.2
167.14412	0.5
169.05072	0.3
171.10271	17.1
172.10612	0.5
177.12833	0.8
179.05583	1.4
181.12294	0.6
182.82468	0.2
183.13898	2.3
185.11801	0.9
193.12367	0.9
195.13991	0.4
197.11826	0.7
199.13429	0.5
201.11316	0.7
203.10786	0.5
209.11844	1.3
211.13393	13.4
212.13676	0.6
221.11813	2.2
223.13338	0.3
227.13048	0.4
229.14438	10.2
230.14853	0.4
233.22780	0.3
235.08228	16.8
236.08524	0.3
239.12871	1.8
247.20677	0.6
251.16368	0.3
253.09283	29.3
254.09708	1.0
257.13892	0.4
259.20798	0.4
260.72385	0.2
273.18600	0.3
275.20193	0.5
277.21713	100.0
278.22061	8.1
287.90536	0.2
291.19675	7.1
292.19925	0.5
293.21170	0.6
294.21371	0.2
309.20700	16.3
310.21121	1.3
311.22284	0.7
327.21753	82.2
328.22092	6.4
351.21494	0.3
513.30463	0.9
545.29736	3.3
546.29968	0.6
563.30835	4.4
564.31189	0.4
587.43231	2.2
588.43829	0.2
789.40662	0.2
813.97546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.0
61.98828	20.1
69.03464	0.9
69.70585	4.2
69.70998	1.8
71.01379	21.8
72.99308	1.2
73.02953	1.1
78.95924	0.9
79.95734	1.0
80.02683	1.3
80.96534	2.1
81.03452	2.5
83.05019	5.9
84.02146	1.1
85.02934	4.7
87.00900	2.1
88.98795	1.6
89.02438	2.9
90.73492	0.9
93.99733	1.0
95.05000	1.5
96.95992	2.4
97.02938	1.9
97.06586	2.4
98.19859	1.1
99.00851	3.0
99.92502	1.4
101.02443	5.3
107.05002	1.5
109.02962	0.8
109.06599	8.3
111.00877	1.9
113.02464	3.1
116.92856	5.2
119.03471	1.0
121.06623	1.2
123.08163	1.6
125.02406	1.2
125.06076	2.6
125.09685	5.0
127.07631	2.2
134.89458	4.6
135.08104	2.1
136.05214	1.1
139.07642	1.9
139.99661	1.0
141.09229	1.4
142.02713	1.2
145.05040	1.1
151.07611	1.0
153.09232	4.1
154.63185	0.9
161.04581	2.1
163.11293	9.1
165.12880	2.3
169.08661	6.7
171.10245	12.4
172.10632	0.9
178.09975	1.3
181.12341	2.9
185.11806	6.1
191.10829	2.2
197.11809	9.2
199.09715	2.4
199.13551	1.1
201.11272	6.5
207.10239	27.3
209.11815	100.0
210.12088	5.7
219.09981	1.0
225.11313	18.5
227.12883	12.8
228.13229	1.1
235.08192	4.7
237.11235	1.8
243.12163	1.1
248.71838	1.1
253.09259	13.5
261.18616	1.5
277.18030	2.7
287.16467	3.5
289.18024	4.8
295.19238	1.6
305.17569	30.2
306.17932	2.4
307.15628	1.5
307.19113	24.0
308.19452	1.4
309.20673	1.4
323.18420	4.2
325.20200	8.9
341.23367	1.7
461.20279	6.6
523.25543	1.4
541.26697	6.8
543.28174	4.8
559.27582	1.5
671.32654	2.1
682.31818	2.1
700.32922	5.3
701.34326	1.4
733.37738	3.6
751.38837	5.9
752.39166	2.8
769.40253	5.6
770.40631	4.6
787.41248	1.0
823.39185	4.6
824.41241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
58.00599	0.5
59.01379	5.8
59.78118	0.2
61.98819	0.5
67.19882	0.2
69.03452	0.5
71.01381	5.9
71.05013	0.7
72.99294	0.2
73.02945	1.9
75.00861	0.2
80.02681	0.3
81.03461	0.7
83.01386	0.9
83.05029	2.1
84.02158	0.5
85.02939	1.8
86.00100	0.2
86.89803	0.2
87.00871	1.6
88.23583	0.2
89.02449	2.7
93.03436	0.2
95.01390	0.6
95.05037	0.8
97.02946	0.7
97.06586	0.7
98.20758	0.4
99.00903	0.4
99.04516	1.0
99.08144	0.3
101.02443	4.9
103.03996	0.2
106.19080	0.2
109.02934	0.5
109.06575	0.2
111.00826	0.3
111.08162	0.3
112.05286	0.7
113.02455	2.4
113.06087	0.2
115.07635	1.0
119.03480	0.8
121.06589	0.2
123.00949	0.3
123.04491	0.6
123.08124	0.3
125.02444	0.4
125.06011	0.2
125.09734	2.1
127.07677	1.7
129.01915	0.3
131.23734	0.2
133.05051	0.3
135.08199	1.3
137.02487	0.2
137.09753	0.3
138.06866	0.3
139.07640	0.4
141.01941	0.3
141.09244	0.2
143.03476	0.5
145.05058	1.4
153.09212	10.9
154.09621	0.6
155.10762	0.4
161.04549	2.6
163.11273	1.6
165.09071	0.2
165.12846	0.8
171.10277	9.3
172.10631	0.5
178.10022	1.4
179.05647	0.5
181.12334	0.3
185.11829	2.2
191.10823	1.5
191.14406	0.6
193.12283	0.2
197.11845	2.9
198.12137	0.2
209.11835	20.0
210.12138	1.0
211.13394	0.3
218.09258	0.2
219.13846	0.4
227.12852	0.5
233.22716	0.5
235.08208	9.4
235.20703	0.4
236.10539	0.4
238.12067	0.8
245.19063	1.4
251.16573	0.3
253.09271	11.6
254.09564	0.6
259.20773	0.3
263.20123	0.5
271.16943	0.2
275.19934	0.5
277.21707	100.0
278.22049	9.2
279.19641	0.6
289.18112	8.8
290.18442	0.8
295.22733	0.2
297.20587	0.6
307.19138	35.7
308.19446	3.3
309.20828	0.2
325.20184	13.0
326.20551	1.3
327.21725	0.3
343.15805	0.2
456.20056	0.3
513.30743	1.1
525.27081	3.9
526.27435	0.6
543.28088	5.1
544.28741	0.7
550.19800	0.2
551.34674	0.3
561.29022	0.7
734.42358	2.1
735.42566	0.4
803.49402	10.2
804.49841	3.2
821.50574	4.1
822.51294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
58.00600	0.5
59.01378	10.3
61.98819	1.1
69.03459	0.6
71.01382	9.8
71.05023	1.4
72.99306	0.8
73.02946	2.4
75.00877	0.4
80.02676	1.4
81.03465	1.8
83.01393	1.0
83.05025	6.3
84.02157	1.7
85.02955	2.5
87.00867	0.9
89.02444	7.8
93.03421	0.4
95.01392	1.3
95.05019	2.7
97.02946	1.1
97.06579	1.9
98.20654	1.1
99.00886	0.7
99.04528	2.1
99.08173	1.1
101.02441	6.9
102.47787	0.3
104.25846	0.3
106.04227	0.6
107.04998	0.4
109.02920	0.6
109.06605	0.9
110.03745	0.7
111.08172	1.0
112.05297	1.5
113.02451	4.5
113.09752	0.5
115.07659	2.5
119.03500	2.3
121.03015	0.7
122.03714	0.4
123.04517	1.2
123.08157	0.9
124.05348	0.4
125.02485	0.7
125.06075	0.9
125.09723	6.3
127.07658	5.3
127.11274	0.7
129.01878	0.4
131.03502	0.4
135.04546	0.6
135.07225	0.4
135.08163	4.3
137.02406	0.3
137.09708	0.8
138.06897	0.4
139.03993	0.3
139.07671	0.7
141.01965	0.5
141.09213	0.7
141.12740	0.3
143.03464	0.9
145.05107	0.4
147.11755	0.4
149.09731	0.5
151.07661	0.3
151.11282	0.4
153.09210	25.4
154.09566	1.1
155.10783	2.0
161.04561	2.8
163.11296	5.1
165.12834	2.4
167.10809	0.5
170.52664	0.3
171.10265	31.7
172.10602	1.7
177.09222	0.3
178.09976	4.0
179.05602	2.5
179.10707	0.6
181.12315	1.0
183.13939	0.5
185.11824	7.2
186.12181	0.5
191.10808	2.9
191.14420	1.9
197.11839	9.2
198.12183	0.5
207.10295	1.1
209.11818	74.3
209.74796	0.3
210.12163	3.9
211.13376	0.8
219.10248	0.4
219.13864	0.9
225.11336	0.3
227.12843	2.2
229.32964	0.3
235.08159	2.8
235.20518	0.4
236.10626	1.6
237.11421	0.9
238.12138	1.7
239.16524	0.9
245.19113	4.0
247.17018	0.3
251.16525	0.4
253.09261	15.0
253.18007	0.4
254.09627	0.6
256.13010	0.5
259.20541	0.4
261.18558	0.4
263.20218	1.4
265.18027	0.9
271.16925	0.9
275.20285	0.3
277.21707	100.0
278.22076	8.9
279.19693	1.8
281.21158	0.8
287.16492	0.3
289.18094	19.7
290.18356	1.7
291.19586	0.9
293.21146	1.1
297.20670	2.3
307.19135	98.8
308.19470	9.0
309.20944	0.3
325.20178	35.7
326.20599	3.5
349.20175	0.5
381.23270	0.6
394.58459	0.3
403.25327	0.3
407.19357	1.4
474.21127	0.9
513.30566	0.5
525.27039	8.9
526.27191	1.0
543.28107	29.7
544.28381	3.9
561.29266	5.4
562.29584	0.8
567.40900	0.4
734.42468	4.7
735.42975	1.0
736.43750	0.4
803.49457	19.7
804.49799	5.7
821.50439	6.8
822.50714	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
58.00605	0.4
59.01379	5.6
61.98825	1.3
69.03443	0.6
69.27004	0.3
71.01381	4.6
71.05006	0.6
73.02938	0.7
79.51147	0.2
81.03471	0.3
83.01391	0.4
83.05013	0.4
84.02163	0.3
85.02960	1.5
87.00879	0.8
89.02436	2.8
95.01405	0.3
95.05035	0.6
97.02943	0.3
97.06577	0.5
101.02438	4.2
111.08202	0.6
113.02447	1.7
119.03490	0.6
123.08178	0.6
125.09659	0.4
141.12839	0.4
143.03450	0.5
149.76947	0.3
151.11243	0.3
161.04555	2.0
163.11311	1.9
165.09225	0.6
165.12834	4.2
167.10757	0.5
171.10289	0.5
177.12813	0.8
179.05545	0.7
179.14388	2.0
181.12328	1.2
193.15918	1.4
195.13896	9.0
196.14571	0.7
197.11812	0.5
205.12297	0.7
205.15965	0.6
209.11812	0.9
211.13359	0.6
223.13393	6.4
224.13687	0.4
228.13594	0.6
231.21298	0.4
235.08208	1.9
239.12791	0.3
247.20659	5.0
248.21205	0.3
253.09279	19.8
254.09657	0.7
256.13107	1.3
265.21628	0.5
273.18530	1.1
275.20160	6.4
276.20538	0.6
291.19650	51.0
292.19980	4.7
293.21216	100.0
294.18231	0.3
294.21564	9.4
309.20697	68.6
310.21024	5.6
311.22244	0.3
492.22321	0.3
527.28632	0.8
529.30249	1.2
545.30090	0.5
567.39838	0.4
585.41858	1.4
586.41962	0.3
752.43274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
58.00599	0.7
58.96632	0.4
59.01380	5.9
59.01664	0.7
61.98829	7.4
65.78175	0.3
69.03439	0.9
71.01382	5.8
71.51367	0.4
73.02956	0.8
83.01370	0.5
83.05011	0.6
85.02951	1.1
86.42293	0.4
87.00906	0.8
89.02449	5.2
94.38204	0.4
95.05016	0.4
97.02982	0.5
97.06594	0.7
99.00856	0.6
101.02435	5.1
111.08157	9.5
112.08524	0.4
113.02454	3.2
113.37000	0.4
119.03506	1.3
124.17888	0.3
125.02438	0.4
127.07626	0.9
131.03526	0.4
133.05087	0.3
141.09241	0.5
151.11238	0.6
153.12872	0.9
160.60667	0.4
161.04543	2.8
163.11368	0.5
165.12805	0.5
167.10753	0.7
169.12338	4.5
171.10254	1.4
179.05663	0.7
179.10724	0.5
179.14427	0.6
181.10860	0.4
181.12346	1.6
183.13882	0.6
195.13896	7.0
196.14534	0.7
197.11827	51.6
198.12093	2.3
199.13348	3.2
205.15935	0.4
209.11884	0.5
211.13383	8.1
212.13693	0.5
223.13383	5.7
224.13914	0.6
225.14960	0.8
227.12952	1.1
228.13573	0.4
231.21265	0.6
233.15408	0.4
235.08218	3.3
247.20766	0.9
253.09274	30.6
254.09634	1.3
256.13190	1.2
263.20044	3.1
265.18127	1.6
265.21780	0.5
273.18466	1.2
275.20157	6.9
276.20328	0.6
277.21741	2.2
289.18027	1.3
291.19650	21.5
292.20029	3.7
293.21213	100.0
294.18289	0.4
294.21594	9.1
309.20700	64.8
310.21021	6.7
327.21722	0.6
433.20660	0.8
527.28925	1.0
529.30322	1.0
545.29443	2.8
546.29523	0.5
585.41620	2.6
786.50305	0.5
844.45715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01379	5.6
61.98833	1.6
69.03452	0.4
70.91816	0.8
70.97316	0.3
71.01385	5.8
72.99315	0.4
73.02937	1.4
77.34001	0.3
80.02676	1.1
80.31528	0.3
81.03453	1.4
83.01379	0.8
83.05034	3.5
85.02947	2.1
85.90952	0.3
87.00874	1.9
93.03419	0.3
95.01392	0.8
95.05025	1.1
97.02956	1.2
97.06605	1.5
99.00896	0.5
101.02441	5.6
106.04200	0.3
107.05033	3.4
109.02963	0.3
109.06593	0.9
111.00871	0.6
113.02455	2.3
113.06077	0.9
113.85961	0.4
115.04005	0.3
119.03495	0.8
121.02956	1.0
123.04541	0.6
123.08144	0.8
125.02433	2.2
125.06064	1.2
125.09724	3.6
127.69702	0.3
129.01913	0.3
135.08176	2.9
137.06035	0.6
145.05080	1.2
147.04495	0.6
151.11253	0.3
153.09218	4.9
161.04559	1.5
161.05841	0.4
163.11298	3.9
164.11613	0.3
165.12819	1.1
171.10201	0.4
176.08417	1.2
177.09227	0.6
178.09958	1.0
179.07074	0.4
181.12343	0.8
185.11760	1.1
189.09215	0.7
189.12788	0.3
191.10748	3.6
197.11812	7.9
198.12173	0.4
207.10260	5.3
209.11823	38.0
210.12071	1.9
217.12299	1.9
225.11295	1.8
235.08226	6.8
236.08446	0.5
236.10640	0.8
243.17566	1.1
245.15489	0.6
253.09219	8.8
259.16971	0.4
261.18652	1.5
263.42059	0.3
269.15506	1.5
277.21707	100.0
278.22052	8.0
279.19608	0.5
287.16498	8.9
288.16858	1.2
289.18167	0.3
291.19604	0.4
295.19153	0.4
305.17578	37.3
306.17957	3.3
307.19025	0.3
309.20917	0.4
323.18576	6.7
324.18842	0.8
479.40677	0.3
513.30457	0.9
523.25543	4.4
524.25946	0.4
541.26550	6.4
542.26978	0.9
559.27441	0.5
721.41589	3.5
722.41840	0.7
732.40485	0.5
750.42273	0.7
801.47900	25.9
802.48218	7.3
819.49097	6.8
820.49146	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.49
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.00598	0.6
59.01377	10.1
61.98825	1.7
62.48850	0.4
68.99799	0.4
69.03448	0.9
70.65237	1.0
71.01382	8.5
71.05025	0.7
72.99300	0.5
73.02943	1.2
78.99022	0.4
80.02672	1.7
81.03455	1.6
83.01378	1.2
83.05023	7.3
84.02124	0.5
85.02957	2.7
87.00876	1.4
89.02445	5.7
93.03459	0.5
95.01395	0.6
95.05022	1.3
97.02954	2.2
97.06585	2.8
99.04519	0.8
101.02446	7.7
107.05029	6.1
108.02203	0.9
109.02981	0.5
109.06576	2.4
110.03740	0.7
111.00884	1.0
111.04531	0.6
111.08180	0.8
113.02466	4.0
115.04462	0.4
119.03497	1.3
121.02946	2.0
122.03714	0.6
123.04549	0.8
123.08159	1.3
125.02435	3.3
125.06087	2.8
125.09712	6.0
127.07626	0.5
128.48740	0.4
129.01979	0.6
131.03569	0.5
133.02934	1.0
135.04544	0.5
135.08176	4.9
137.06018	0.6
143.03505	0.5
147.04547	0.8
153.09206	8.9
159.08113	0.5
161.04556	2.4
161.09717	0.7
163.11287	8.5
165.12828	3.7
167.10751	0.4
171.10223	0.5
172.69095	0.5
176.08415	4.1
177.09236	0.9
178.09972	3.4
179.05560	1.8
179.07036	0.6
179.10669	0.9
181.12280	2.2
185.11841	2.5
187.09756	1.0
189.09230	0.5
191.10736	4.3
192.11594	0.5
197.11827	18.9
198.12090	1.1
207.10233	8.9
209.11816	100.0
210.12151	4.4
217.12343	1.8
219.17390	0.6
225.11298	4.9
227.12865	0.6
233.18961	0.6
235.08176	1.9
235.13319	0.7
236.10521	2.4
237.11063	0.5
243.17503	2.2
245.15442	1.3
253.09215	10.3
259.20822	0.5
261.18558	5.1
263.16531	1.3
266.29745	0.5
269.15521	2.5
271.31866	0.4
275.19852	0.5
277.21704	80.5
278.18823	0.9
278.22034	6.5
279.19678	2.3
287.16483	12.1
288.16928	1.4
291.19620	0.6
295.19116	0.9
305.17569	76.9
306.17871	5.9
308.51282	0.4
309.20563	0.5
323.18640	13.7
324.18787	1.0
433.20847	0.7
445.20840	1.6
461.20212	0.9
523.25415	7.0
524.25513	0.9
541.26550	29.9
542.26764	4.0
559.27667	3.5
560.28723	0.6
721.41663	6.1
722.41895	1.4
732.40814	0.6
801.47925	40.8
802.48486	10.5
819.49023	10.8
820.49353	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	819.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.4
58.37066	0.3
59.01378	2.4
60.82679	0.3
61.98820	1.0
71.01389	0.6
71.51380	0.4
79.95735	27.7
85.02959	1.6
93.59464	0.3
95.95232	0.5
96.96008	100.0
99.04546	2.3
101.02464	1.1
109.02904	0.4
110.97540	1.4
117.01209	0.3
119.05016	0.5
125.02440	1.0
129.01926	0.4
141.95786	3.5
143.03529	0.3
167.00172	0.7
173.00879	0.5
191.01923	0.5
203.55977	0.3
209.02956	0.6
235.11885	0.5
284.68079	0.3
289.06531	0.3
337.05676	0.5
344.12585	0.4
359.14987	0.5
379.15872	2.1
380.16241	0.5
424.08481	1.4
438.20444	0.5
439.10632	99.6
440.10959	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	818.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97928	0.1
59.01378	0.3
59.56950	0.1
61.98828	100.0
62.98520	0.2
67.10994	0.1
80.65762	0.1
80.96513	0.3
85.02949	0.1
98.19986	0.4
98.20680	0.2
108.89710	0.1
114.93484	0.1
116.92876	0.3
126.90517	0.3
171.10341	0.2
179.14595	0.1
209.11876	0.2
238.20850	0.1
245.19579	0.1
268.23312	0.1
273.17291	0.2
307.19235	0.1
309.20978	0.1
327.22235	0.1
436.16299	0.1
818.49347	0.2
818.63611	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	816.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.47767	0.8
70.48099	0.9
80.96525	1.2
87.00228	0.5
109.79907	0.4
111.82765	0.5
116.27116	0.4
143.37665	0.4
156.04858	0.4
181.94980	0.4
259.17865	0.5
279.23349	0.7
314.28104	0.5
405.17700	0.5
435.57007	0.5
816.50177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
59.38975	0.1
61.98830	100.0
62.98541	0.2
67.76591	0.1
70.01441	0.6
80.96507	0.3
88.98830	0.6
111.04253	0.1
120.84242	0.1
130.83412	0.2
150.21344	0.1
171.10272	0.2
222.52948	0.1
289.18292	0.4
293.21225	0.3
552.29382	0.2
572.52942	0.2
700.52002	0.2
816.51019	0.2
817.41046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98830	100.0
62.98539	0.2
70.52490	0.3
78.56820	0.1
80.96514	0.5
81.96823	0.1
98.20281	0.2
116.92885	0.2
126.90516	0.2
164.98634	0.1
171.10353	0.1
205.12138	0.1
223.13452	0.2
224.13638	0.1
225.00821	0.1
291.19510	0.1
292.20154	0.1
768.38184	0.1
815.38470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48124	0.7
59.01374	5.4
59.03712	0.7
61.98831	9.1
63.96235	2.3
66.34800	0.8
69.03441	0.7
70.73159	1.8
71.01383	10.0
73.02927	1.8
78.95896	1.9
78.98595	8.1
78.99015	1.4
79.95735	17.3
80.41438	0.6
80.96516	100.0
85.02953	4.2
87.00874	3.0
94.98088	20.1
96.95984	1.9
97.02956	1.6
99.00909	0.6
101.02432	2.6
106.98086	3.9
113.02467	0.8
122.97595	4.0
125.02462	4.0
127.03960	1.2
134.97575	6.1
136.99117	1.8
141.01689	4.9
143.99168	4.5
148.99144	6.9
152.98596	6.3
152.99651	1.4
164.98621	14.1
173.45657	0.7
206.99625	2.8
225.00740	19.1
227.03311	0.7
255.23212	3.9
277.21704	1.7
279.23254	1.1
305.02350	1.3
307.99710	1.4
378.47815	0.7
389.99951	1.1
537.27295	1.1
559.25592	2.1
815.49829	92.5
816.50214	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.3
61.98830	100.0
62.98536	0.2
71.01402	0.2
71.52318	0.2
80.96542	0.2
115.31967	0.2
116.92828	0.2
144.57791	0.2
158.06253	0.2
171.10216	0.2
223.13416	0.4
237.02116	0.2
293.21375	0.2
382.08661	0.2
449.14481	0.2
620.05835	0.2
815.49878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58555	0.1
59.01363	0.1
60.99307	0.2
61.98830	100.0
62.98537	0.2
62.99239	0.1
71.51664	0.1
71.82142	0.1
80.96519	0.1
88.80779	0.1
88.98802	1.3
89.99129	0.2
198.76820	0.1
223.13374	0.2
224.13649	0.2
277.21863	0.2
307.22867	0.2
372.61765	0.1
375.87427	0.1
408.96310	0.1
450.04907	0.1
743.14838	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	813.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.9
61.98834	9.7
69.03462	1.5
69.72662	5.2
71.01367	5.7
73.02939	2.5
78.95930	1.1
81.22028	1.1
83.05009	2.0
85.02946	4.5
87.00864	2.1
88.98820	1.7
89.02453	4.5
95.05015	1.0
96.95989	2.6
97.06530	1.3
99.00900	1.2
101.02471	5.2
110.06168	0.9
110.47492	1.1
113.02439	3.3
115.07721	1.1
116.92851	3.8
125.09709	1.9
127.07586	1.5
143.03526	1.1
145.05008	1.0
153.09219	8.8
153.12798	1.6
155.10788	1.6
161.04570	1.9
163.11311	2.6
165.12788	1.4
167.10951	1.0
169.12337	6.1
171.10286	13.2
177.09152	0.9
178.09915	2.4
179.05484	1.2
179.10767	1.1
185.11848	6.2
191.10669	1.6
191.14381	1.7
197.11826	100.0
198.12224	4.7
209.11823	33.1
210.12154	1.1
213.11418	1.1
235.08154	3.7
238.12099	1.6
245.19101	2.3
253.09286	8.4
271.17047	1.0
280.57547	1.1
289.18051	10.3
290.18152	1.2
297.20450	1.0
307.19144	53.2
308.19489	4.4
309.20770	1.9
324.28915	1.1
325.20181	16.9
433.20685	5.0
506.98920	0.9
525.27258	4.4
526.27161	1.1
543.28107	18.3
544.28497	1.2
561.29193	2.3
612.62518	0.9
640.58875	1.1
654.32861	4.8
654.41858	0.9
699.39697	1.0
705.37781	1.5
723.39423	13.7
724.39801	3.8
741.40521	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	809.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34655	17.3
69.84830	100.0
72.16171	20.6
86.39309	18.0
105.90104	21.0
137.83949	17.9
144.75452	19.9
149.96056	18.4
234.05525	18.9
239.72137	19.3
277.21677	27.3
298.59372	20.2
331.31906	21.4
334.55392	20.8
593.55035	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01381	7.5
61.68969	0.6
61.98828	3.8
69.03450	2.7
71.01376	3.9
71.05019	1.1
73.02942	0.7
77.46664	0.6
79.95744	0.7
80.96507	1.4
81.03458	0.8
83.05014	1.2
85.02948	2.0
87.00882	1.3
88.11812	0.5
89.02448	2.4
93.03428	0.6
94.98102	0.6
97.02968	0.8
98.19902	2.0
98.20617	2.3
101.02445	3.5
109.06585	1.7
111.08154	0.7
113.02449	2.0
116.92872	1.0
119.03491	1.2
123.08142	0.6
125.09704	1.2
149.09724	0.7
161.04556	1.8
163.11266	2.3
164.98647	0.6
165.12836	3.9
167.10742	3.6
171.10301	0.9
179.05527	0.6
179.10774	1.3
179.14418	4.1
181.12379	0.8
193.15981	0.9
195.13878	10.3
196.13956	0.6
197.11804	3.5
205.12325	9.8
206.12695	0.8
209.11807	1.5
223.13390	100.0
224.13680	5.2
225.11209	1.0
235.08209	5.0
247.20638	3.4
253.09288	12.1
254.09489	0.7
273.18604	1.6
284.16455	0.7
289.18130	1.2
291.19653	51.5
292.19971	5.4
309.20700	70.7
310.21063	5.0
459.22324	13.4
460.22562	1.3
491.52914	0.6
527.28821	2.2
545.29767	1.6
561.00452	0.7
707.49646	0.7
733.41418	1.3
751.42596	1.9
811.35455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.2
61.98832	68.9
63.99253	0.9
69.03461	1.6
71.01379	4.5
75.48428	0.8
84.47987	0.8
85.02920	1.1
87.00880	1.4
89.02435	2.2
101.02451	4.4
102.99562	1.1
104.99340	0.9
111.08142	0.9
113.02438	1.3
116.92847	3.6
125.09758	0.9
133.51970	0.8
134.89461	2.7
150.61594	0.7
161.04553	0.9
167.10768	2.5
171.10283	4.0
172.10602	1.0
177.12802	2.2
179.05560	1.4
179.10912	1.1
179.14383	5.7
195.13937	8.0
205.12305	10.3
205.15993	2.6
206.12630	1.0
221.11707	1.7
223.13393	100.0
224.13750	5.5
231.21149	1.8
235.08199	4.4
253.09239	10.6
275.20117	20.3
276.20483	1.7
277.21698	4.9
307.22778	77.9
308.23160	7.9
333.09808	0.9
355.13034	1.0
441.21124	3.3
459.22308	12.0
460.22586	1.1
504.01541	0.9
543.31897	2.0
749.44824	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	809.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
60.99299	0.1
61.98832	1.1
71.01393	0.1
71.06523	0.2
73.02937	0.9
73.84785	0.1
75.00862	0.1
85.02961	0.1
85.83910	0.1
86.14713	0.1
88.98817	0.7
89.02419	0.1
94.95374	0.1
96.96024	0.1
99.00863	0.2
99.92585	10.9
100.92590	0.5
114.93452	0.4
116.92862	100.0
117.01942	1.6
117.92871	5.2
126.90482	0.1
134.43437	0.1
134.89458	0.1
146.06067	0.1
185.11711	0.1
190.36217	0.1
190.93977	0.1
209.11842	0.3
327.21878	0.2
675.79071	0.1
809.40430	0.1
820.64648	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	809.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38295	3.7
59.01383	9.5
61.98834	48.2
71.01392	3.7
71.52255	4.6
78.05832	3.4
78.95933	3.8
83.05028	4.3
85.02958	10.0
96.96015	8.6
100.74139	3.6
101.02444	7.7
113.74710	3.5
116.92850	10.8
117.91000	3.6
124.84711	3.4
145.64355	3.2
165.81592	3.5
171.10216	10.4
176.82632	3.3
190.60431	3.8
197.11836	3.5
209.11815	100.0
210.12137	4.4
217.45210	3.0
227.12830	25.1
235.08163	18.7
253.09288	30.7
291.19543	3.8
309.20734	12.2
327.21747	84.8
328.22031	8.1
445.20874	14.6
504.38925	3.9
519.33276	3.8
545.29498	12.0
563.30603	19.0
637.10431	4.0
755.42749	5.0
809.40906	42.2
810.41833	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	809.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98832	1.2
69.71896	0.2
69.72313	0.4
73.02948	0.8
78.95895	0.1
85.02970	0.1
88.98804	0.4
96.06270	0.1
96.96013	0.2
98.19926	0.1
98.20511	0.2
99.00879	0.1
99.92581	10.9
100.92606	0.5
100.93269	0.1
114.93397	0.5
116.92860	100.0
117.01929	1.2
117.92866	5.4
131.91624	0.1
171.10365	0.1
203.12834	0.1
207.10303	0.1
209.11862	0.2
225.11180	0.1
239.12889	0.2
304.87030	0.1
327.21844	0.2
627.45300	0.1
809.39313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.51781	0.4
61.98828	10.6
69.03456	0.5
71.01374	0.9
71.05024	1.3
71.51752	0.7
73.02922	0.4
78.95904	0.9
85.02930	0.7
85.30781	0.3
89.02460	0.9
95.05024	0.7
101.02438	0.9
103.96760	0.4
109.06584	0.7
113.02481	0.4
126.90397	0.4
129.37842	0.3
161.04568	0.6
177.12804	0.5
189.12894	0.4
191.14392	0.7
195.13895	1.4
205.12386	1.2
221.15388	0.7
223.13382	9.3
224.13620	0.5
225.14992	0.7
235.08282	0.4
236.10503	0.8
237.10803	0.4
243.17624	0.6
244.17809	0.5
249.15041	0.4
249.22234	0.5
250.77156	0.3
253.09251	3.4
257.51477	0.4
277.21704	13.3
278.22058	1.7
287.16486	3.0
291.19662	4.7
292.20001	5.3
293.21216	100.0
294.21530	8.9
305.17593	7.4
306.18057	0.6
350.63995	0.4
453.61945	0.4
459.22299	0.8
507.51950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57284	2.3
59.01381	16.7
61.98830	53.5
69.03468	4.2
71.01383	30.1
71.04999	2.8
73.02932	2.9
75.03279	2.5
78.82262	2.4
78.95895	5.9
83.05000	2.6
85.02953	6.9
88.98792	2.5
89.02462	8.0
97.02955	5.9
97.06554	3.3
99.00874	5.3
101.02449	10.1
109.06599	24.3
111.08138	4.2
113.02412	3.1
113.37347	2.4
116.92875	13.4
119.03476	2.9
125.09756	3.4
142.02655	3.9
161.04526	3.8
161.09734	3.9
163.11304	19.2
165.12840	4.4
168.49417	2.7
171.10258	8.3
179.05557	3.3
179.10811	5.4
181.12337	6.8
185.11795	5.9
197.11813	37.6
198.12190	3.9
201.11284	4.1
207.08365	5.3
207.10260	77.9
208.10617	3.8
209.11832	23.5
210.18675	2.2
211.13391	3.2
223.13315	5.3
225.11298	49.0
225.13341	4.5
235.08179	9.5
247.20648	5.0
253.09303	25.7
289.18051	6.1
291.19653	69.8
292.20187	7.1
307.19028	5.4
309.20706	100.0
310.21082	11.1
443.19125	4.4
461.20178	16.0
545.29822	2.7
735.39703	3.5
753.41113	16.8
754.41138	8.4
769.39978	38.9
770.40839	9.4
771.41791	15.8
807.38654	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	805.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.00612	0.3
59.01376	5.7
61.98821	0.8
65.09969	0.3
65.21223	0.2
66.00282	0.2
68.96497	0.2
69.03458	0.4
70.08751	0.8
71.01375	4.7
72.99312	0.3
73.02953	0.6
79.66649	0.3
80.02701	0.4
81.03443	0.4
83.01405	0.5
83.05016	0.6
85.02953	1.1
87.00890	0.8
89.02441	3.8
91.04033	0.3
95.01379	0.6
95.05058	0.5
97.02956	0.8
97.06612	0.5
99.00932	0.3
101.02437	3.9
109.06623	0.4
113.02441	2.3
114.71467	0.3
119.03491	0.6
123.08191	0.6
123.54718	0.3
125.06092	0.3
125.09728	1.0
127.07647	0.5
132.87015	0.3
141.12851	0.7
143.03548	0.3
161.04530	1.7
161.09709	0.4
162.10553	0.5
163.11284	3.7
165.09193	0.6
165.12849	6.4
166.09998	0.5
167.10672	0.4
167.14400	0.3
171.10243	0.8
177.12811	0.5
179.05548	0.9
179.14429	1.6
181.12354	1.9
182.12929	0.3
185.11713	0.4
193.15985	1.7
197.11691	0.3
207.10236	0.5
209.11838	1.8
219.17509	0.3
223.13382	2.4
235.08174	1.7
235.13562	0.3
235.53532	0.2
247.20667	8.2
248.21048	0.6
253.09285	13.9
254.09512	0.8
255.17487	0.2
255.23340	0.3
273.18573	2.5
275.20093	0.4
277.21704	100.0
278.22061	8.4
290.22665	0.3
291.19644	93.4
292.19998	7.7
299.63275	0.3
309.20691	97.0
310.21057	7.6
336.91190	0.3
423.96994	0.3
513.31366	0.3
527.28308	1.4
545.29517	0.4
684.39526	0.3
769.05084	0.3
774.54034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
58.00595	0.1
59.01378	2.8
59.30605	0.1
61.98831	1.1
68.64067	0.1
69.03453	0.2
71.01381	2.3
72.01757	0.1
72.99325	0.2
73.02949	0.3
83.01394	0.2
83.05022	0.1
85.02945	0.6
85.12048	0.1
87.00872	0.4
89.02443	2.2
95.01396	0.2
95.05020	0.2
95.70441	0.1
97.02965	0.1
97.06635	0.1
99.00885	0.2
101.02447	2.3
109.06611	0.1
111.08142	0.4
113.02442	1.1
113.09755	0.3
119.03485	0.6
119.94908	0.1
121.10265	0.2
125.02470	0.2
131.03510	0.2
141.09186	0.1
143.03499	0.2
145.05109	0.1
146.53122	0.1
150.91937	0.1
155.10831	0.1
161.04543	1.5
163.07532	0.1
167.10754	0.3
169.12436	0.1
171.10298	0.8
177.12842	0.2
177.16489	0.1
179.05536	0.5
179.10782	0.2
179.14406	0.9
180.14810	0.1
180.86823	0.1
181.12447	0.1
195.13895	8.6
196.14470	0.7
205.12369	0.6
205.15877	0.6
211.13358	0.5
212.13850	0.1
223.13390	5.3
224.13806	0.4
225.14877	0.1
227.20761	0.1
228.13638	0.8
231.21179	0.4
235.08234	0.9
239.12854	0.1
249.22159	0.2
253.09279	17.7
254.09546	0.9
256.13141	1.1
265.21689	0.5
275.20139	6.4
276.20474	0.6
293.21213	100.0
294.21536	9.2
492.22214	0.3
511.29230	0.1
529.30249	1.5
530.30750	0.2
569.42102	1.4
570.42267	0.3
769.43298	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	805.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
59.01381	6.2
61.98825	11.0
69.03439	1.3
69.66159	0.6
71.01369	5.3
71.05014	3.8
78.95921	1.1
80.96523	0.9
81.03451	1.0
83.05032	1.8
85.02955	2.9
87.00864	0.8
88.98817	0.7
89.02431	2.1
95.05032	1.4
96.96005	2.1
97.02956	3.2
97.06580	3.0
98.19812	1.0
98.95588	1.2
99.00267	1.3
99.00878	17.6
101.02430	3.0
106.04202	0.8
109.06596	1.1
113.02438	2.1
116.92857	3.5
123.04483	0.7
123.08170	2.4
125.09721	10.1
135.08173	1.1
136.05298	1.0
142.02753	0.9
145.10257	0.8
155.14435	0.8
155.60211	0.7
161.04558	0.9
161.09666	1.3
163.11287	12.6
171.10216	1.2
179.10793	1.0
181.12346	16.3
182.12599	1.2
185.11839	1.2
191.14337	1.7
197.11729	1.9
199.13391	9.9
200.13666	0.7
207.10258	25.5
208.10654	1.0
209.03024	0.7
209.11795	2.9
225.11317	33.1
226.11720	2.1
235.08214	1.2
243.12369	17.9
244.12675	1.2
245.19044	5.8
248.11227	0.8
253.09241	2.8
271.17212	0.9
289.18085	9.4
290.18152	0.9
305.17477	2.7
307.19214	3.8
403.34595	0.7
461.20428	2.1
479.21320	5.8
659.03442	0.8
751.38812	4.6
769.40143	100.0
770.40399	22.7
794.97223	0.8
805.37561	6.9
806.37946	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	803.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.11906	0.5
71.51321	0.9
80.96478	0.6
83.28712	0.6
133.17590	0.7
164.58549	0.6
171.10263	6.4
253.09251	0.8
253.14487	1.2
277.21704	5.7
278.22220	0.9
289.18201	0.6
402.57877	0.5
544.91388	0.5
666.40723	0.6
749.45178	0.7
803.44147	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	805.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31310	2.7
59.01381	9.1
61.98832	74.9
71.01373	9.9
71.52165	4.4
78.95879	5.9
83.05000	2.9
85.02960	15.4
89.02425	4.4
96.96007	9.8
99.92567	6.6
101.02448	7.0
111.00801	3.2
116.92866	72.2
118.20058	3.1
118.20964	3.4
125.09724	3.8
135.08188	4.0
153.09209	6.1
163.11275	6.8
171.10257	8.2
185.11916	4.1
191.01912	4.5
197.11870	16.5
207.10300	6.7
209.03069	3.7
209.11830	100.0
210.12132	7.0
211.13322	4.4
225.11247	5.1
227.12956	18.9
235.08200	9.0
253.09328	11.4
268.57227	3.4
287.16608	3.6
305.17596	43.1
307.19168	5.9
309.20776	3.6
323.18649	8.8
428.85303	3.1
445.20572	4.9
523.25220	4.1
541.26270	11.8
671.32532	9.2
700.33929	5.6
733.38043	16.6
751.38812	38.2
752.39612	9.8
769.39935	31.5
770.40698	8.2
805.37738	39.2
806.38000	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	803.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.6
59.01114	1.8
59.01381	26.6
60.01722	2.3
61.98830	20.3
69.03439	4.5
69.60796	6.9
71.01376	22.8
71.04999	3.8
72.99323	1.7
73.02939	1.6
78.95889	1.4
83.01392	1.7
83.05016	3.9
85.02939	9.5
87.00876	12.6
88.98774	2.1
89.02445	6.6
95.01393	2.2
95.05010	2.4
96.96016	12.6
96.96914	1.3
97.02948	5.6
97.05080	1.4
97.06574	6.3
98.00085	2.0
98.20658	2.1
99.00883	100.0
99.92532	1.6
101.02435	8.1
107.05016	1.7
109.02992	1.6
109.06554	2.3
113.02448	7.6
116.48919	1.3
116.92879	6.5
119.03483	2.9
121.02952	1.6
123.08128	2.4
125.06110	1.6
125.09723	10.6
129.00397	1.4
135.08115	1.7
142.02676	1.9
153.09167	4.6
153.12880	2.4
161.04572	3.7
161.09747	1.8
163.11292	12.1
169.08643	1.9
169.12357	1.6
171.10286	15.8
179.10771	6.5
181.12344	23.1
181.13812	2.8
183.43414	1.3
185.11766	3.9
191.02016	1.5
197.11826	40.0
198.12167	2.0
199.13388	14.4
201.11258	2.3
203.82710	1.3
207.10252	27.4
208.10628	2.3
209.11835	23.8
215.12811	3.4
225.11322	46.6
226.11694	1.9
227.12830	3.2
233.97432	1.3
235.08119	2.5
241.10733	2.0
241.72975	1.3
243.12358	33.6
244.12683	2.0
253.09334	8.7
305.17563	9.0
307.19250	10.5
325.20099	4.3
461.20114	6.2
477.19629	2.6
479.21323	21.0
480.21506	2.9
541.26605	4.9
595.33929	3.5
613.34894	11.0
631.36560	2.8
633.31158	4.7
655.36053	2.6
661.30530	3.2
663.32385	2.8
673.36908	4.0
716.31763	2.0
767.38513	15.6
768.38269	3.6
782.51306	1.6
785.39514	24.5
786.39502	5.9
803.41437	28.7
804.42181	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	803.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97336	4.6
57.03440	4.8
59.01377	30.4
61.98830	73.3
69.03442	6.7
71.01385	13.5
75.84973	4.2
78.47923	5.1
84.11349	3.8
85.02940	8.0
88.98799	4.7
89.02487	7.4
96.96018	4.9
98.19839	5.7
98.20517	23.9
101.02415	7.0
105.46789	3.7
113.02441	7.1
116.92837	18.8
124.60004	4.0
125.09699	8.7
139.31700	3.7
153.09132	6.0
162.75797	3.9
163.11258	4.8
164.21257	4.0
171.10306	21.1
191.66713	3.9
195.13930	8.8
197.11818	45.6
205.12285	7.1
209.11751	23.7
211.13437	5.9
223.13391	100.0
224.13818	5.4
225.11279	5.4
225.14886	5.3
227.32542	4.7
235.08220	13.3
241.10725	4.3
253.09317	24.2
257.17545	19.8
289.18192	21.8
307.19141	70.9
308.19470	8.3
309.20563	10.7
325.20215	31.6
327.21848	24.8
327.25574	3.7
327.39606	4.4
459.22305	33.6
466.18906	4.0
525.26770	13.4
543.28070	25.8
544.28882	5.1
680.33228	5.0
749.41113	61.8
750.41205	17.0
767.39185	55.6
768.39740	15.5
803.39911	84.1
804.40771	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	803.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.7
59.01377	9.4
61.07284	0.9
61.98832	8.7
67.80031	0.8
69.03463	6.1
71.01389	6.9
71.05006	1.9
73.02925	1.4
77.50677	0.8
83.04996	1.3
85.02940	2.5
87.00861	1.7
89.02434	4.2
95.05041	1.2
97.02929	1.1
97.06583	2.2
98.20663	2.1
99.00876	1.1
101.02436	6.0
105.15469	0.9
109.06597	1.0
113.02429	2.6
116.92831	1.3
119.03490	1.1
121.43696	1.0
123.04494	2.2
123.08147	2.6
125.09757	4.2
137.09656	1.3
149.09753	1.2
151.11269	3.9
153.12888	1.1
161.04480	1.2
161.09721	5.1
163.11264	3.5
171.10263	3.1
179.10751	7.4
185.11864	4.2
191.14377	3.3
193.12349	1.4
197.11827	72.4
198.12181	5.1
203.33798	1.0
207.10225	2.7
209.11797	2.7
211.13432	2.0
215.14407	0.9
223.09686	1.8
223.13391	6.5
225.11311	3.0
225.14937	1.5
229.19601	1.0
235.08133	2.4
241.10762	3.6
245.19080	6.6
253.09355	5.0
257.17578	5.7
289.18109	13.3
290.18179	1.4
305.17563	1.3
307.19135	8.5
309.20688	2.6
325.20114	1.6
327.21713	8.2
431.38263	0.9
459.22473	1.6
477.19690	1.8
543.28204	1.2
658.36908	1.0
723.39923	1.8
749.40143	4.8
750.39343	1.8
767.38562	100.0
768.39044	23.0
803.36298	19.2
804.37134	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	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98527	0.2
66.62090	0.1
71.51722	0.2
72.52511	0.1
78.95886	0.2
97.27310	0.1
131.06026	0.1
131.37144	0.1
163.04980	0.2
182.53555	0.1
277.21765	0.7
279.23358	0.3
289.18063	0.2
467.66437	0.2
623.75391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.3
61.98830	100.0
69.27024	2.2
78.95880	0.3
80.63903	0.2
89.88811	0.2
97.33195	0.2
203.74414	0.3
215.39259	0.3
277.21783	1.0
277.28540	0.3
279.23492	0.4
289.18225	0.4
305.17557	0.3
307.19019	0.2
382.99277	0.3
527.80292	0.3
534.75568	0.3
691.45459	0.3
695.72626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
60.09250	0.1
61.78711	0.1
61.98831	100.0
62.98549	0.3
64.30052	0.1
69.86066	0.4
71.01398	0.2
104.21973	0.1
108.68962	0.1
134.89487	0.4
136.89215	0.2
166.20511	0.1
170.83752	0.1
171.10339	0.3
181.87498	0.1
191.10974	0.1
209.11783	0.5
210.12175	0.2
223.13420	0.4
224.13751	0.2
225.14975	0.1
247.21190	0.1
253.09367	0.1
257.17599	0.4
258.17923	0.2
273.17197	0.4
274.17633	0.2
289.17981	0.2
290.18481	0.1
291.19611	0.2
292.20114	0.2
305.17621	0.2
307.19202	0.2
308.19592	0.1
308.23889	0.1
309.20731	0.2
310.21201	0.2
541.26465	0.1
633.75397	0.1
633.85663	0.1
747.40045	0.2
748.39618	0.6
765.40985	0.1
802.50433	0.1
803.39032	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	801.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.7
59.01112	1.0
59.01379	9.8
61.98826	7.2
69.03454	7.9
69.42619	3.1
69.43036	2.2
71.01378	12.4
71.05009	3.8
72.99286	1.6
73.02940	1.9
81.03458	1.2
81.93272	0.8
83.01404	1.8
83.05013	3.2
84.02177	0.9
85.02953	5.0
87.00866	2.3
89.02461	4.7
93.03480	0.9
94.95368	0.7
95.05011	2.1
97.02953	2.8
97.06596	5.2
99.00875	2.1
99.04535	1.1
99.63240	0.7
99.92555	1.0
101.02442	8.3
107.05022	2.7
108.02174	0.8
108.14683	0.8
109.02951	0.9
109.06586	1.6
110.03738	1.0
111.00852	2.0
111.08198	1.1
113.02451	4.2
113.06104	0.9
116.92854	4.4
119.03500	1.6
123.04529	1.1
123.08148	2.6
124.73727	0.8
125.02431	2.6
125.06061	1.4
125.09724	10.0
135.08128	2.3
137.09717	1.3
145.03894	0.8
145.04977	0.8
151.11269	5.6
153.09222	4.5
153.12810	2.9
161.04529	2.1
161.09734	7.8
163.11261	4.0
165.12822	1.3
167.51747	0.8
171.10274	4.6
176.08412	0.9
178.09952	1.2
179.10757	15.7
180.11072	1.1
181.12355	1.6
185.11783	6.9
187.09694	1.5
191.10780	2.4
193.12189	1.2
197.11827	100.0
198.12134	6.6
199.09726	1.4
199.13545	1.1
201.11380	1.0
207.10243	6.3
209.11816	32.3
210.12199	1.8
211.13380	1.0
213.11150	0.9
221.11856	1.4
223.09711	2.4
225.11342	5.1
235.08167	2.9
236.10507	1.1
237.11243	1.1
239.12814	0.8
241.10764	8.9
243.12393	1.3
243.17575	0.8
251.16512	0.9
253.09264	8.3
277.18091	1.6
279.19568	1.1
287.16486	6.4
305.17584	25.2
306.17957	2.2
317.17551	1.8
323.18536	3.3
333.20441	1.0
459.18619	3.0
477.19730	10.1
478.20386	1.1
485.29141	2.1
503.30026	1.3
523.25787	0.9
541.26538	3.5
631.29523	1.9
659.29364	3.6
660.29163	1.0
685.30554	1.2
721.38336	3.9
722.38873	1.1
765.36993	8.4
766.37238	2.5
783.37964	31.9
784.38080	6.7
801.42737	11.2
802.42493	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	801.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45609	0.2
58.89325	0.2
59.01377	2.3
61.37859	0.2
61.98830	100.0
69.03454	0.4
71.01371	1.3
73.02948	0.3
83.05031	0.8
85.02950	0.3
87.00883	0.4
89.02445	0.7
97.02953	0.2
97.06575	0.3
101.02453	0.9
113.02446	0.5
120.72581	0.3
123.08141	0.4
125.09718	0.6
134.89479	2.4
153.09196	1.2
161.04620	0.3
163.11325	0.6
165.12886	0.3
167.10728	0.3
171.10281	1.6
179.10686	0.2
185.11926	0.4
191.10777	0.6
193.12285	1.1
195.13916	0.8
197.11862	1.1
205.12323	0.5
207.10342	0.4
209.11832	5.7
210.12047	0.5
211.13493	0.5
223.13408	5.1
224.13715	0.3
225.15053	1.1
229.72021	0.3
235.08269	1.2
239.12935	0.8
240.13181	0.4
241.14403	0.5
253.09242	1.9
257.17578	6.0
258.17960	0.3
273.17065	2.9
277.18274	0.2
287.16605	0.5
289.18140	2.0
291.19690	2.3
292.20032	0.6
293.21191	1.2
294.21713	0.3
304.23547	0.2
305.17636	2.6
306.17761	0.2
307.19147	4.0
308.19531	0.4
309.20621	2.6
310.21155	0.4
323.18683	0.8
325.20187	1.3
326.20505	0.3
341.23410	0.5
354.68536	0.2
459.22495	1.0
523.25446	0.4
525.27246	0.3
528.60364	0.2
541.26587	0.9
543.28516	0.7
559.27808	0.3
667.34058	0.6
696.33826	0.8
714.38287	0.3
729.38385	0.3
747.39587	4.9
748.39795	1.7
765.40594	1.9
768.07593	0.2
783.45721	0.6
784.45837	0.4
801.36816	1.2
802.38788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
58.00591	0.7
59.01379	100.0
60.01725	0.6
61.98833	2.8
68.99807	0.4
69.03462	1.2
69.17291	0.4
69.85040	2.2
71.01381	24.7
72.30605	0.4
72.99313	1.6
73.02946	6.7
75.00888	0.7
81.03466	0.4
83.01392	3.5
85.02946	14.0
86.00126	0.7
87.00877	2.2
89.02436	8.9
89.02936	0.6
95.01393	3.6
96.96029	0.8
97.02953	2.3
98.20532	0.7
99.00896	2.1
101.02443	13.0
111.00902	1.4
112.01707	0.7
113.02454	19.1
116.92867	1.6
119.03519	2.9
123.00877	0.9
124.01654	4.2
125.02449	6.5
125.53567	0.5
126.90502	0.6
129.01949	0.6
143.03491	4.4
149.04663	0.5
159.03064	1.0
161.04546	3.9
171.10252	0.5
179.05655	0.8
209.57536	0.5
250.67159	0.6
253.09486	0.5
274.70996	0.4
334.17166	0.4
449.29126	1.5
467.30396	1.8
496.36716	0.5
515.29822	0.5
545.31854	0.6
557.31598	1.6
575.32214	2.1
576.33203	0.6
593.33313	18.2
594.33478	2.9
611.34320	52.8
612.34650	9.5
629.35400	18.5
630.35266	2.7
653.35461	10.4
654.36157	2.2
671.36469	18.0
672.36804	3.7
713.36963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	13.2
57.78182	0.5
59.01379	2.8
63.56124	0.5
66.63286	0.5
66.66829	0.5
68.99814	0.7
69.25622	4.7
71.01386	1.6
72.99304	1.8
79.71809	0.6
83.01384	9.7
84.02160	3.8
85.02950	100.0
86.03288	1.4
89.12335	0.6
93.03449	2.4
97.02986	0.9
98.20227	2.2
103.00379	1.1
111.00909	3.0
117.03474	5.8
119.05029	40.6
120.05347	1.5
121.02955	0.6
125.02448	1.3
129.01942	31.5
132.78946	0.5
133.06635	0.7
133.54129	0.5
135.04533	0.7
143.04968	1.0
145.02956	45.3
146.03323	1.8
147.02998	12.1
147.04399	1.0
151.00348	1.3
154.99835	5.3
157.06490	0.6
159.04488	0.6
160.05269	1.1
161.05992	1.0
163.04008	24.8
164.04391	1.2
173.00903	31.5
174.01266	0.9
175.07518	1.0
177.05476	0.8
178.55370	0.6
178.99857	0.7
185.06075	2.5
187.07613	0.8
191.01973	48.3
192.02264	1.6
203.07137	4.7
231.06612	17.0
231.08821	1.0
232.06946	0.8
243.03004	1.1
255.03024	2.8
257.04520	1.2
271.02475	5.8
275.05563	3.3
293.06662	3.0
300.02737	14.8
301.03522	5.9
319.04562	9.7
337.05637	87.6
338.06003	7.8
411.32922	0.5
463.08798	17.8
464.09061	1.8
503.20197	0.6
804.75275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.2
61.98832	85.8
63.99242	2.5
71.01382	5.9
71.43158	2.8
80.96525	4.2
101.02434	3.2
130.32985	2.1
179.10757	3.6
197.11844	62.9
198.12236	4.3
225.00674	2.7
241.10753	2.5
277.21729	20.3
337.37399	2.0
371.55145	2.0
634.17932	2.3
737.41223	100.0
738.41425	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98829	100.0
62.98541	0.2
62.99269	0.1
70.51768	0.0
80.96485	0.1
97.27750	0.1
129.92909	0.1
217.94760	0.1
223.13380	0.2
224.13765	0.2
225.11621	0.1
225.14084	0.1
277.37473	0.1
293.21213	0.1
294.21759	0.1
295.21939	0.1
316.34445	0.0
435.68732	0.0
643.69507	0.0
799.39832	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33732	0.8
59.01384	4.2
61.98829	82.6
63.96220	1.2
69.03461	1.0
71.01054	1.1
71.01386	10.4
73.02939	2.1
78.98614	6.1
79.95737	32.9
80.96516	80.6
84.16990	0.9
85.02939	3.6
87.00855	2.9
94.98079	18.2
95.44943	0.9
96.95958	1.5
97.02950	2.2
99.00851	1.3
101.02438	3.5
106.98067	3.9
113.02401	0.9
116.92837	1.1
122.97624	4.8
125.02415	3.9
134.97575	5.1
136.30670	0.9
136.99101	2.1
148.99146	6.2
152.98643	8.3
155.05475	0.9
160.31776	0.8
164.98595	11.1
171.10275	1.4
179.44333	0.9
197.11751	1.9
206.99663	4.4
223.13344	1.9
224.98674	1.7
225.00737	21.8
241.00241	1.0
277.21707	1.6
283.04901	2.7
291.19403	1.0
338.39438	0.9
341.05286	1.7
355.07050	2.1
387.75803	0.9
500.90903	0.9
503.50894	1.0
505.17249	3.1
564.30621	1.0
575.24982	1.2
577.19141	1.4
582.68811	1.0
619.24615	1.2
640.00531	1.0
661.28961	1.2
701.31934	1.5
799.39398	100.0
800.39795	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	796.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88636	0.2
61.98831	100.0
62.98542	0.2
71.51457	0.2
71.51825	0.2
80.96481	0.3
81.79401	0.2
104.54771	0.2
116.92880	0.5
171.45151	0.2
190.90005	0.2
214.68471	0.1
215.69591	0.2
293.20993	0.2
388.97601	0.2
395.20392	0.2
797.38739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39032	3.5
57.03448	4.9
59.01394	5.6
69.37490	28.5
71.01379	52.2
72.99304	21.7
83.01374	14.2
84.02181	7.7
85.02953	69.8
87.92532	62.5
88.93310	9.4
89.02425	4.5
89.16028	4.2
96.96014	12.5
99.00871	7.7
103.92030	100.0
104.92807	78.3
105.93542	8.3
106.94382	6.8
111.00875	8.5
114.94888	47.5
118.94373	5.6
123.94625	10.8
128.96446	5.9
129.01962	5.4
130.94374	32.6
133.02959	7.4
134.03717	4.4
135.04504	15.6
140.96454	20.1
142.94341	6.5
144.95952	27.5
147.02974	9.3
147.94633	7.3
156.95950	28.9
158.93852	16.4
160.01689	5.1
161.68329	3.8
171.52159	4.1
171.94621	16.0
172.95386	15.0
177.97166	8.8
179.03517	10.0
184.95404	10.0
186.93340	20.3
188.96445	10.0
190.98045	49.0
191.01921	33.5
197.96216	13.0
198.96942	9.2
199.94106	15.8
200.94861	9.9
204.95950	9.9
206.97472	25.4
209.03014	74.5
210.97011	10.2
216.95952	28.8
218.95827	8.4
220.10966	4.8
221.96266	6.5
223.97745	27.7
225.95653	6.0
230.97479	5.3
232.95422	20.8
234.96965	72.9
241.00078	6.3
244.93835	5.1
247.94104	7.5
247.97693	5.8
249.95726	12.4
250.96487	38.8
258.96918	5.7
262.94785	28.2
273.95609	4.3
275.97266	20.4
276.92914	13.5
276.98068	16.9
280.96082	8.7
285.97672	4.4
291.96793	7.5
292.97693	19.1
294.93973	21.5
299.97232	4.8
300.98074	4.7
301.98895	6.1
304.95795	39.9
306.95547	7.0
316.96140	7.3
317.98355	12.8
318.93951	13.4
318.98996	17.4
329.96762	67.6
334.98520	5.6
347.97726	43.8
349.97293	5.1
378.97623	8.4
379.98276	11.7
393.96512	6.6
405.96216	17.6
406.97034	81.5
407.97498	13.4
408.97253	10.1
423.97318	84.6
424.98108	93.2
425.98755	6.8
426.98080	5.9
435.95816	15.7
438.95865	23.6
439.96652	6.6
441.98315	15.4
453.97046	6.4
466.99121	26.0
467.99829	7.0
483.53546	4.6
492.00101	22.3
510.00897	12.6
511.01285	6.5
571.00287	21.0
579.97821	5.6
586.00000	4.3
589.01392	8.6
597.99060	42.0
616.00238	23.5
617.00580	5.3
634.00977	11.0
760.02325	7.5
778.03253	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	795.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
60.52519	0.1
61.98827	0.1
71.01390	0.1
73.02946	3.5
75.00867	0.1
85.02951	0.2
89.41961	0.1
95.28873	0.1
96.96075	0.1
99.00858	0.5
99.92583	9.2
100.92601	0.5
100.93208	0.1
114.93417	0.5
116.92858	100.0
117.01935	6.6
117.92867	5.1
118.02254	0.1
135.04486	0.1
148.33675	0.1
206.50269	0.1
236.52936	0.1
262.29449	0.1
531.51178	0.1
539.89221	0.1
677.50372	0.2
734.63831	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	795.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
58.00603	1.2
59.01383	26.7
61.98827	4.7
65.44617	0.9
66.94083	0.8
69.03458	1.6
71.01382	21.6
71.05008	1.2
71.52527	1.1
72.65987	0.8
72.71326	0.9
72.99319	1.7
73.02934	4.4
80.02668	1.5
81.03467	2.0
83.01379	2.6
83.05034	4.7
84.02149	2.0
85.02956	9.6
87.00881	3.9
88.94922	0.8
88.98874	1.3
89.02444	19.4
95.01382	2.3
95.05044	1.7
96.96032	5.4
97.02970	3.0
99.00921	1.1
99.04510	1.2
101.02431	16.8
109.02958	1.4
109.49445	1.0
111.08166	0.9
113.02452	6.5
115.07643	2.4
116.92858	7.6
119.03489	4.9
123.04565	1.3
123.08183	1.0
125.02446	4.2
125.09735	3.9
126.90492	1.1
127.07664	7.4
135.04527	1.1
135.08121	3.1
137.02391	1.4
139.07629	2.1
141.01921	0.9
143.03481	2.1
143.60855	1.0
153.09206	9.4
155.10777	2.1
161.04543	3.1
163.11261	4.4
165.12842	2.9
165.87047	1.0
171.10265	15.9
175.45618	0.9
178.10011	3.5
179.05556	4.8
181.12305	1.4
185.04486	1.0
185.11803	7.3
191.02039	1.6
191.10786	1.7
191.14384	1.8
197.11819	9.0
209.03059	1.3
209.11821	66.1
210.12178	3.9
221.06677	2.2
235.08231	4.0
236.10649	1.5
238.12071	4.2
245.19075	3.7
253.09332	1.7
263.07889	1.3
279.19714	1.1
281.21356	1.0
289.18085	14.4
290.18445	1.1
297.20554	1.4
307.19135	100.0
308.19464	9.6
325.20157	45.0
326.20529	3.9
329.18805	1.2
397.13477	26.2
398.13757	2.7
415.14563	27.3
463.52875	1.0
569.24603	1.7
636.26349	5.7
705.33301	41.9
706.33777	8.6
723.34167	13.0
724.34454	2.0
778.54248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.5
73.02949	1.6
73.31634	0.1
98.19881	0.2
99.00900	0.2
99.92586	11.0
100.92612	0.6
114.93414	0.6
116.92862	100.0
117.01093	0.1
117.01935	2.7
117.92870	5.2
119.17191	0.1
131.91690	0.1
157.58096	0.1
222.31123	0.1
433.69312	0.1
456.71222	0.1
570.89783	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	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09819	0.1
61.98833	0.6
70.52335	0.2
73.02945	1.4
73.45413	0.1
75.00842	0.1
97.93131	0.1
99.00880	0.2
99.92584	10.4
100.92600	0.5
114.17198	0.1
114.93413	0.5
116.92860	100.0
117.01934	2.5
117.92869	5.3
140.93719	0.1
498.35690	0.1
671.58905	0.1
722.67944	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	795.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.98833	1.1
67.26555	0.1
70.17927	0.5
73.02940	1.4
85.93357	0.1
99.00877	0.2
99.92580	10.9
100.92589	0.5
105.11798	0.1
114.93413	0.3
116.92861	100.0
117.01941	1.9
117.92007	0.2
117.92871	5.2
130.46941	0.1
250.64113	0.1
344.21265	0.1
529.11066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.8
58.00592	1.4
59.01377	25.0
61.98822	7.2
68.74454	0.8
69.03439	1.5
69.07164	0.9
69.14569	1.2
69.14915	9.7
71.01378	22.8
72.99302	2.4
73.02934	3.1
80.02681	1.1
81.03448	2.2
83.01380	1.9
83.05017	5.5
84.02141	1.9
85.02948	9.9
87.00893	4.2
89.02441	18.1
95.01385	1.4
95.05050	1.1
95.86288	0.9
96.95981	3.6
97.02930	2.7
97.06571	1.5
98.20674	1.8
99.08131	1.2
101.02437	16.3
106.03423	1.2
109.02917	1.2
112.05261	1.4
113.02442	8.1
115.07635	1.9
116.92831	4.0
119.03478	5.1
119.05006	3.2
121.02910	1.4
123.04491	1.5
125.02441	4.9
125.09687	4.2
127.07651	6.1
128.03545	1.1
135.04535	6.2
135.08147	2.3
139.07632	2.2
141.09167	2.1
141.47160	0.9
143.03456	2.1
145.02917	1.1
151.04001	1.2
153.09222	9.9
155.10718	2.1
156.15234	1.1
161.04512	3.7
163.11238	4.5
165.12810	2.2
171.10278	16.0
178.09955	3.3
179.05571	5.6
181.12302	2.2
185.11794	8.7
191.01964	1.5
191.10692	2.1
191.14459	1.2
197.11769	10.1
207.10196	1.2
209.11810	73.6
210.12167	4.1
221.06638	2.5
235.08186	2.1
236.10519	1.5
238.12001	2.9
245.19064	4.0
253.09222	1.3
263.20316	1.3
271.16791	1.3
279.19662	2.1
289.18103	15.0
290.18469	2.1
297.20752	1.4
305.08636	1.5
307.19128	100.0
308.19415	7.2
325.20181	49.0
326.20444	3.6
342.14569	1.2
397.13467	31.5
398.13690	2.3
415.14554	29.8
416.14896	1.1
535.09558	0.9
569.24615	1.5
598.25171	4.6
636.26410	8.3
637.26404	2.0
705.33368	38.1
706.34088	6.4
723.34308	9.7
724.34814	2.9
819.54089	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03450	8.0
59.01381	5.9
68.99832	0.9
71.01382	15.1
71.50953	1.2
72.99309	4.1
73.02927	0.8
75.00864	5.4
83.01408	3.9
84.02174	4.0
85.02951	80.8
86.03287	2.2
87.00890	1.8
89.02451	1.9
95.01357	0.8
96.96003	3.0
99.00872	1.9
101.02438	0.7
103.00370	1.9
109.02995	1.0
111.00867	2.7
115.00383	2.3
115.25539	0.7
121.02927	0.8
125.02454	0.8
125.63641	0.6
129.01955	7.2
133.01433	1.5
133.02942	8.1
134.03752	18.6
135.04532	46.6
136.04898	1.1
137.02446	1.2
139.00156	1.0
141.01712	2.6
143.03487	1.5
147.02998	8.2
147.04491	1.4
149.02425	0.9
149.06053	0.7
151.00116	2.8
154.99661	1.2
161.02438	46.9
162.02791	2.2
169.01230	3.2
173.00893	2.7
175.03955	1.0
177.05542	2.0
179.03496	35.6
180.03845	1.9
189.01695	12.6
191.01974	42.1
192.02304	1.2
192.04102	1.1
194.99097	2.0
201.01685	46.0
202.02039	2.4
209.03078	2.8
213.00134	2.2
215.03177	3.4
221.04645	1.8
223.04579	39.7
224.04955	1.0
231.01187	2.7
241.00186	0.8
251.05608	1.0
254.01233	0.8
259.02347	1.3
313.03339	1.1
331.04333	19.9
332.04761	1.6
353.05206	1.3
357.02591	3.6
358.02994	0.8
367.06686	1.3
371.06152	3.5
375.03299	17.8
376.03549	1.6
385.07736	6.7
397.88547	0.7
407.05972	100.0
408.06323	8.9
428.84808	0.8
437.05621	0.8
469.08093	2.2
588.91797	0.7
599.08429	2.2
620.72266	0.9
631.11102	8.8
632.11279	0.8
761.11243	1.1
793.14148	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	791.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	2.2
64.05042	0.9
64.21846	0.9
73.02966	1.0
78.95904	48.4
79.95723	1.0
80.96506	1.0
83.05030	1.4
96.96954	4.0
97.06532	1.1
103.25819	1.0
115.91438	1.0
125.09763	1.3
127.07674	1.2
129.09222	3.2
141.09229	3.2
152.99590	53.7
153.09232	1.1
153.99963	1.3
155.00067	1.0
155.10722	1.8
165.12854	1.5
171.00629	6.5
171.10307	5.3
185.10410	1.3
185.11862	10.9
196.89467	6.1
197.11821	19.0
199.13516	1.2
209.11819	14.4
227.03239	3.4
227.12897	2.4
245.04346	1.2
245.86496	1.0
249.58286	1.0
253.21700	7.6
255.23294	27.8
256.23572	2.8
291.19730	4.9
307.19162	2.7
309.20779	5.3
325.20197	1.3
327.21786	11.7
328.21988	1.4
461.19104	1.2
463.20557	2.6
483.27301	2.2
537.24579	3.3
554.24475	1.8
555.25671	36.8
556.26331	4.2
791.47125	100.0
792.47534	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.7
61.98833	23.9
78.95893	4.1
83.05049	2.5
85.02956	2.9
86.52287	2.3
89.02447	2.4
96.97002	1.9
116.92809	5.3
134.89427	3.0
161.04575	2.8
163.11307	3.3
171.10225	3.9
178.45607	1.9
209.11813	100.0
210.12172	5.0
227.12912	24.0
229.14171	2.6
235.08189	3.6
247.20601	2.2
253.09186	10.7
265.29288	2.0
291.19662	43.4
292.19876	4.1
309.20685	91.9
309.24258	4.3
310.20963	10.1
445.20670	7.3
505.83530	2.2
527.28583	7.5
545.29395	2.9
614.30408	2.4
671.74084	2.8
791.39899	59.8
792.40131	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	791.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.0
61.98539	7.2
61.98832	100.0
71.01369	8.4
78.95909	6.6
80.34605	3.8
82.21529	4.1
85.02944	6.2
88.98763	4.8
99.92525	5.1
110.40942	4.0
116.92850	15.1
125.09763	5.3
153.09259	5.5
171.10251	13.0
185.11772	7.8
197.11772	15.4
209.11845	66.0
210.12149	5.7
211.13402	64.1
227.12785	16.3
235.08122	5.5
253.09297	20.5
289.18008	8.4
305.17261	4.8
307.19095	46.9
308.19495	7.7
309.20840	24.9
325.20145	24.2
445.20798	5.4
446.21991	5.9
525.26227	6.9
543.27997	35.0
561.29565	6.5
737.41180	41.9
738.41095	13.7
755.40967	14.3
791.39801	75.8
792.39417	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	791.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.0
66.06799	0.1
71.01386	0.2
71.52334	0.2
73.02946	0.6
79.80502	0.1
81.35678	0.2
84.36062	0.1
85.02950	0.3
99.92583	10.9
100.77636	0.1
100.92606	0.6
101.02384	0.1
104.13548	0.1
114.93410	0.4
116.92859	100.0
117.01939	1.0
117.92865	5.2
117.93660	0.3
126.90514	0.4
151.01427	0.2
166.55519	0.2
729.49902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33797	0.8
59.01377	9.5
61.98831	21.1
71.01387	2.5
71.51987	1.6
78.95901	1.2
85.02954	1.6
89.02431	2.5
101.02451	3.5
109.85880	1.0
113.02430	2.0
161.04517	2.4
174.05713	0.8
185.11931	0.9
195.13927	3.6
198.49702	0.8
209.11826	1.2
217.14435	100.0
218.14795	6.9
223.13362	3.1
235.08182	8.8
253.09285	14.9
275.20178	6.8
293.21210	65.5
294.21500	6.1
307.23016	1.1
453.23526	3.1
493.35495	1.6
511.28766	1.1
529.30267	1.5
638.27777	0.9
789.41614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.06232	1.6
75.64573	1.0
76.43778	0.6
78.95914	1.4
85.02946	8.9
117.05489	0.7
134.87242	0.7
149.69591	0.7
171.10268	48.4
172.10612	1.6
182.39957	0.8
183.22006	0.7
204.65088	0.7
209.11896	1.0
212.29163	0.7
235.08257	2.0
239.12865	4.8
253.09335	3.3
275.20215	1.1
277.21704	26.7
278.21982	1.5
291.19601	1.5
293.14053	0.8
407.19220	6.2
408.19540	1.0
408.59421	0.8
445.19922	0.7
457.20743	1.1
475.21707	0.8
513.31055	0.9
553.46490	0.7
667.41107	1.9
706.62531	0.8
789.41968	5.7
790.43170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
59.01383	7.0
61.98836	6.2
62.01291	0.9
65.02802	0.8
66.86843	1.0
69.03452	1.2
69.16084	5.6
69.16504	3.6
71.01358	4.6
71.05006	2.9
73.02936	1.2
83.01386	1.1
83.05039	1.5
85.02948	4.6
87.00857	1.4
89.02425	3.8
95.05003	1.0
97.02930	4.6
97.06580	3.7
99.00250	1.9
99.00874	17.3
99.92532	1.0
101.02439	3.4
113.02448	2.2
114.55140	0.9
116.92871	5.2
125.09709	8.6
126.90494	1.4
135.08192	1.4
139.78185	1.1
142.02759	1.1
155.14433	1.1
161.04529	1.3
163.11282	10.8
171.10266	14.0
171.70474	0.9
177.70117	0.8
181.12334	16.3
183.13921	1.3
197.11806	1.7
199.13417	12.4
207.10260	23.0
208.10558	1.6
209.11740	1.9
211.13438	4.6
225.11313	31.0
226.11597	1.8
229.14433	2.5
243.12372	19.2
244.12738	1.4
253.09235	2.6
307.55768	1.0
309.20493	1.3
327.21710	8.9
355.24747	1.3
356.70230	1.0
373.30185	1.0
461.19980	1.3
479.21323	3.6
789.42798	100.0
790.43115	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	789.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
56.10714	0.7
57.03444	9.1
58.07860	0.8
59.01374	3.3
71.01393	2.6
71.51623	1.3
71.52029	0.9
72.99319	1.2
80.42873	0.7
82.74213	0.8
83.01389	3.0
84.02180	1.5
85.02950	100.0
86.03272	2.3
96.96012	1.5
101.66317	0.8
111.00875	2.8
117.03484	4.6
119.05020	20.0
120.05357	1.3
125.02482	0.9
129.01030	0.6
129.01939	15.8
129.55455	0.8
140.12958	0.8
145.02953	32.7
146.03305	1.4
147.02992	14.0
147.04245	1.6
154.99840	2.0
159.93497	0.8
163.04010	14.5
173.00893	10.0
191.01978	52.3
192.02238	2.2
203.07140	1.7
231.06638	9.9
237.24138	0.9
271.02408	1.3
293.06531	0.9
300.02777	2.6
319.04446	2.7
325.08987	1.6
337.05637	72.6
338.06061	5.7
377.37509	0.9
463.08783	3.5
616.83856	0.9
741.35919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.9
61.03193	2.3
61.98829	55.1
71.01372	9.8
72.54152	2.5
73.02913	2.3
76.07661	2.5
78.95906	4.8
80.96513	4.1
82.36297	2.4
83.05025	3.7
85.02953	7.8
86.01437	2.2
88.98795	10.7
89.02428	4.4
101.02437	5.9
116.92883	5.5
125.09702	2.3
134.89426	3.1
163.11223	4.8
171.10287	7.4
181.12376	5.0
185.11813	5.5
191.14450	4.6
207.10237	6.6
209.11821	100.0
209.13812	5.8
210.12189	6.5
217.43634	2.6
225.11322	3.5
227.12878	26.0
227.98242	3.0
235.08148	4.5
245.19028	6.7
253.09311	18.1
289.18109	48.6
290.18411	4.3
291.19467	3.0
307.15649	3.4
307.19153	56.1
308.19379	4.3
309.20563	5.9
444.09720	2.8
447.68387	2.6
499.30719	3.3
554.29449	2.6
735.39612	10.9
736.39288	3.5
753.40503	10.2
754.41583	4.0
775.33453	2.8
789.37946	12.6
790.39679	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	788.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.25226	0.2
98.19875	0.5
108.59994	0.2
172.55746	0.2
201.61304	0.2
255.46121	0.2
255.74901	0.2
326.40192	0.2
528.14374	0.2
728.12726	0.2
744.86243	0.2
789.41949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
61.98829	100.0
68.80627	0.2
71.01402	0.2
78.95883	0.2
80.96526	0.2
85.02974	0.3
95.16936	0.2
98.19850	0.3
98.20532	0.9
98.44720	0.1
112.98614	0.2
116.92921	0.2
124.29308	0.2
125.09705	0.2
133.16762	0.1
143.78337	0.2
145.92172	0.2
159.92693	0.2
188.25533	0.2
197.11858	0.5
209.11858	0.6
211.13483	0.5
225.11388	0.2
229.04008	0.1
253.09438	0.3
291.19647	0.2
305.17484	0.2
307.19260	0.2
309.20981	0.2
409.16986	0.1
578.32904	0.2
735.40204	0.3
753.40900	0.3
789.37457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
58.00573	0.6
59.01379	7.0
59.01662	0.9
61.98589	0.5
61.98833	5.1
69.03432	0.6
69.39205	0.5
70.33816	1.2
70.34184	1.2
71.01379	16.7
72.01736	0.6
72.02140	0.7
72.99306	0.5
73.02939	1.4
80.02670	0.8
81.03445	2.0
83.01402	1.0
83.05022	6.2
84.02175	1.5
85.02942	2.9
87.00865	2.1
88.98811	0.6
89.02439	3.6
93.03466	0.9
95.05011	2.0
96.96008	5.1
96.96970	0.7
97.02959	0.9
97.06611	3.1
99.00884	2.3
99.92632	1.1
101.02454	4.0
107.05048	1.0
109.06583	1.8
113.02444	2.6
116.61722	0.6
116.92860	4.0
119.03481	1.1
123.04550	0.7
123.08120	0.7
125.06093	4.7
125.09726	3.2
126.90490	1.2
127.11292	1.8
135.08168	1.5
139.07664	4.7
141.09193	1.2
145.05078	0.8
151.07683	0.9
153.09225	2.3
155.10785	0.8
161.04562	2.2
163.11270	4.8
165.09167	1.0
165.12872	3.8
169.08696	6.0
171.10263	26.8
172.10590	1.0
181.12325	1.5
183.10252	1.0
185.11823	2.4
189.09187	0.6
191.02097	0.6
191.10768	1.4
193.12320	1.5
197.11830	3.6
199.09802	0.9
199.13391	0.7
201.11319	41.4
202.11630	2.4
207.10272	3.8
209.11816	100.0
210.12192	6.2
211.13470	1.3
213.11330	0.9
215.12924	0.6
217.12085	0.6
220.76625	0.6
225.11311	4.9
225.14912	1.3
227.12885	11.4
228.13170	0.7
235.08163	5.1
235.97255	0.5
239.12862	0.5
242.66649	0.5
243.12347	1.0
243.15846	1.0
253.09270	16.0
254.09671	1.2
261.18796	0.8
279.19669	1.3
287.16501	1.8
289.18134	1.8
291.19574	1.0
305.17548	8.9
307.19055	6.0
323.18573	1.8
325.20218	1.9
341.23251	11.8
342.23544	1.0
393.22815	1.2
407.19553	0.6
437.20114	1.0
445.20901	2.0
541.26740	2.9
543.28314	0.9
543.44061	0.6
559.27789	1.0
697.37268	0.7
700.63171	0.6
713.52460	0.7
725.65167	0.6
751.39209	2.4
752.38922	0.9
769.40460	2.1
770.40051	0.8
787.41083	2.4
788.39185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.07510	1.1
57.03432	4.6
59.01379	32.9
61.98830	17.1
69.03450	1.4
71.00997	2.0
71.01372	13.8
71.05010	3.1
71.14893	1.8
73.02927	3.4
81.03487	1.2
83.01385	2.9
83.04993	2.9
84.02165	1.8
85.02975	6.7
88.98831	1.3
89.02431	6.4
92.77878	1.1
95.05022	2.2
96.95988	1.4
97.02929	5.4
97.06583	4.0
99.00364	1.5
99.00883	16.4
99.92597	1.4
101.02449	7.6
109.06591	2.5
113.02447	5.7
115.07634	1.2
116.92893	5.9
117.92797	2.1
118.92560	1.2
123.08121	2.5
125.02453	1.6
125.09720	10.0
127.07652	3.2
127.11193	1.5
137.86137	1.2
139.07593	1.3
142.02806	1.5
153.09177	3.2
153.12851	1.8
155.10812	1.4
161.04527	2.3
161.09740	1.9
163.11296	13.3
165.12808	3.6
166.13058	1.1
171.10225	9.4
181.10846	1.7
181.12335	19.4
183.10280	1.7
183.13858	1.3
185.11784	6.9
191.02058	1.9
195.13879	1.7
197.11867	12.4
199.13394	22.2
201.11461	1.5
207.10246	32.9
208.10553	2.1
209.11826	34.8
210.12115	5.2
211.13388	2.8
221.11803	2.7
223.13342	4.9
224.13867	2.7
225.11319	50.7
226.11653	2.4
227.12807	3.6
235.08194	5.2
239.12868	4.7
241.14507	9.0
243.12355	13.2
253.09300	13.5
254.09549	1.7
259.15530	24.9
260.15768	1.6
289.18042	4.1
291.19620	13.0
292.20035	2.1
307.19135	13.5
308.19397	2.1
309.20743	18.8
310.21066	1.8
312.81805	1.2
325.20151	6.0
327.21750	10.2
328.22034	3.4
341.23251	4.1
357.36307	1.3
461.20328	7.4
479.21344	2.6
543.28375	2.6
726.24866	1.3
728.90588	1.5
751.38678	4.1
769.39697	7.7
770.40460	2.1
787.41229	100.0
788.41504	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03439	1.9
58.45770	0.6
59.01377	7.7
61.98825	1.4
63.63452	0.6
65.02981	0.6
69.03452	1.5
71.01377	7.3
71.05018	4.6
71.28786	1.0
73.02947	1.5
78.83578	0.6
78.89436	0.6
78.95885	1.1
80.02701	0.8
81.03449	1.4
83.05016	2.8
84.02144	0.8
84.50942	0.6
85.02948	3.0
87.00880	1.3
89.02432	2.9
95.05003	1.7
96.95387	0.9
96.96011	9.0
97.02956	3.9
97.06585	4.2
99.00880	21.5
100.30906	0.6
101.02441	4.0
106.04278	0.7
109.02956	0.6
109.06569	1.8
113.02419	2.2
114.93413	0.8
119.03490	0.8
123.04558	1.1
123.08151	1.7
125.09721	10.1
127.07618	2.5
127.11256	0.8
135.08112	1.5
142.02728	1.0
145.10248	0.9
153.09196	2.0
153.12833	1.2
160.62410	0.6
161.04503	1.0
163.10069	1.0
163.11304	13.1
165.12852	0.7
167.40936	0.7
171.10280	5.2
171.36630	0.6
178.09930	0.9
179.10710	1.4
181.12349	20.9
182.12617	0.7
185.11818	3.2
197.11829	10.7
199.13400	13.3
207.10262	27.2
208.10617	1.8
209.11841	13.1
225.11316	39.4
226.11644	2.3
243.12364	22.4
243.14716	0.5
244.12714	1.4
253.09256	2.0
289.18033	2.2
307.19193	7.5
325.20169	1.6
350.99750	0.8
461.20233	2.4
462.19830	0.8
479.21344	6.7
543.28131	2.3
548.41626	0.7
633.31091	1.0
689.11572	0.7
769.39941	12.5
770.40759	2.8
787.41156	100.0
788.41528	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	787.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03441	1.7
58.00599	0.8
59.01389	8.5
61.98827	5.5
71.01382	8.5
71.05038	0.7
72.99307	0.9
73.02928	1.2
73.61609	0.7
75.98236	0.6
78.95886	0.8
83.01348	0.9
83.05038	1.5
85.02962	6.5
87.00848	1.5
89.02433	3.0
94.92493	1.4
94.98074	1.4
95.05037	1.0
96.96004	2.3
97.02943	1.1
97.06588	1.6
99.00868	3.0
99.08170	0.8
101.02432	4.8
109.06546	0.9
111.00863	0.7
113.02443	2.6
116.92901	3.4
119.03489	1.1
122.01681	0.8
123.04512	0.8
125.02448	0.8
125.09757	3.7
127.07617	2.0
137.09685	0.9
139.07666	0.8
146.69940	0.7
151.11266	0.9
153.09169	1.9
153.12851	2.7
155.10733	0.8
161.04565	1.1
163.11313	4.9
169.12346	1.6
171.10257	5.9
181.12323	12.1
182.12700	1.1
183.90874	0.8
185.11819	4.7
186.12392	0.7
191.02003	1.5
197.11833	14.4
198.12186	1.6
199.13393	43.3
200.13696	2.3
207.10246	5.2
209.03084	1.2
209.11821	18.2
210.12112	2.0
213.11423	0.7
225.11333	7.1
227.12819	1.1
238.12115	1.0
243.12344	6.4
253.09259	2.9
279.19580	0.9
289.18076	2.6
307.19116	7.7
308.19257	1.0
325.20166	1.2
479.21271	1.9
689.33862	3.0
769.39856	4.1
770.40350	1.3
787.41211	100.0
788.27631	1.5
788.41595	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85772	0.1
61.98829	100.0
62.98532	0.2
62.99247	0.1
70.99624	0.1
78.95943	0.1
80.96516	0.1
83.53946	0.1
85.02978	0.1
90.96609	0.1
113.97326	0.1
116.28569	0.1
123.30283	0.1
151.15199	0.1
209.11955	0.1
234.33987	0.1
277.21704	0.2
278.22214	0.2
279.23599	0.1
439.23920	0.1
786.50238	0.1
787.39648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.98829	100.0
62.98526	0.2
79.77535	0.1
80.96511	0.1
81.49691	0.1
88.98829	0.1
90.23653	0.1
109.38988	0.1
209.11858	0.2
210.12196	0.1
229.03914	0.1
232.98004	0.1
277.21832	0.2
278.22101	0.1
279.23175	0.3
400.53348	0.1
689.23511	0.1
786.50073	0.2
787.39630	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98831	100.0
62.98520	0.1
70.78230	0.3
75.68687	0.1
78.95910	0.1
97.68718	0.1
108.27476	0.1
170.59653	0.1
197.12000	0.1
211.13420	0.2
212.13876	0.1
257.17636	0.2
277.21780	0.3
293.21051	0.2
308.78952	0.1
400.31927	0.1
403.13785	0.1
702.52118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98830	100.0
62.98529	0.2
71.01405	0.5
71.51864	0.1
71.52191	0.1
71.72926	0.1
73.02948	0.4
78.95906	0.2
83.01412	0.2
85.02943	0.5
88.98838	0.1
89.02438	0.2
96.96046	0.1
101.02460	0.4
101.70623	0.1
113.02463	0.2
116.92868	0.2
122.72815	0.1
129.01955	0.1
135.04543	0.1
155.95267	0.1
184.49512	0.1
189.05640	0.1
191.01848	0.1
224.22446	0.1
445.16559	0.1
460.18607	0.1
489.19443	0.2
490.19696	0.3
502.19394	0.4
652.24579	0.2
664.25763	0.1
681.80792	0.1
682.26965	0.1
712.26996	0.6
786.33789	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52988	0.1
59.01377	0.4
61.98830	100.0
62.31336	0.1
62.59837	0.1
62.98547	0.1
71.01388	0.2
78.95955	0.1
85.02969	0.3
96.95972	0.2
101.02464	0.2
107.81476	0.1
113.02428	0.1
116.92880	0.3
135.65898	0.1
159.03180	0.1
173.73169	0.1
180.35930	0.1
207.99908	0.1
209.03027	0.1
278.84723	0.1
321.14832	0.1
347.37012	0.1
549.47778	0.1
664.24957	0.1
682.25958	0.4
694.25574	0.7
695.25983	0.1
712.26715	0.1
724.27142	0.2
786.34485	0.3
791.37830	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79545	0.5
55.69783	0.4
57.03450	0.7
59.01382	6.6
59.97649	0.4
61.98827	3.9
67.54322	0.4
69.03452	1.1
71.01389	3.1
71.56701	0.4
73.02945	0.6
73.18734	0.4
81.03471	0.4
83.01385	0.6
85.02930	1.0
87.00874	1.1
89.02450	2.4
97.02976	0.5
97.06591	0.6
101.02435	2.5
109.06597	0.7
113.02444	1.4
116.18790	0.5
116.92878	2.5
117.92864	0.7
118.92637	0.8
119.03473	0.6
123.04514	0.6
125.09756	1.0
141.12846	0.5
153.09288	0.5
153.12854	1.4
161.04536	1.4
163.11301	1.3
165.12849	2.7
169.12346	6.6
171.10237	1.3
179.10921	0.7
179.14424	1.0
181.12323	1.5
185.11789	0.6
193.15982	0.7
197.11838	100.0
198.12166	5.9
199.13321	0.5
200.79927	0.5
207.10280	1.4
209.11797	1.0
211.13377	0.4
213.11314	0.6
223.13390	2.0
223.63861	0.4
225.11336	1.6
227.12596	0.4
235.08229	3.2
247.20662	3.2
253.09311	8.3
273.18542	0.9
291.19656	35.1
292.20020	3.0
293.21146	0.9
309.20706	48.5
310.21042	4.3
326.79437	0.4
341.23224	0.8
360.64435	0.4
433.20798	6.2
434.21219	0.7
484.74500	0.4
527.28510	1.8
545.30292	0.8
707.40356	0.8
785.41846	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03442	1.5
59.01381	6.5
61.98837	4.5
69.03453	5.2
70.62326	0.8
71.01380	8.3
71.05027	2.5
73.02953	1.4
81.03488	0.9
83.01391	1.4
83.05042	1.8
84.02152	0.8
85.02953	2.8
87.00887	1.6
89.02443	3.2
94.78979	0.4
95.01379	1.1
95.05040	1.0
96.96011	0.5
97.02965	0.7
97.06606	1.6
98.20148	0.6
99.00895	0.8
99.04494	0.5
99.39760	0.4
99.58337	0.4
99.92574	0.7
101.02454	3.2
109.06598	0.9
111.08137	0.7
113.02457	2.2
115.07650	0.4
116.92878	1.3
119.03547	0.9
119.05003	0.6
123.04493	0.9
123.08152	1.9
125.09731	4.4
127.07656	3.2
133.06531	0.4
135.08133	1.0
137.09741	1.1
139.07632	0.7
141.09209	0.6
143.03517	0.4
149.09669	0.5
151.11284	3.3
153.09218	2.4
153.12880	1.8
155.10727	0.8
161.04539	1.3
161.09711	4.2
163.11295	2.0
165.12852	0.8
171.10269	4.2
178.09962	0.5
179.10764	7.7
180.10915	0.4
181.12344	0.8
185.11795	5.2
191.10782	0.5
191.14436	0.5
197.11824	71.1
198.12152	3.9
199.13313	0.5
207.10266	0.8
209.11813	20.1
210.12062	0.9
211.13608	0.6
223.09662	1.0
223.13312	1.0
235.08293	0.5
238.12082	1.2
241.10846	3.3
245.19090	1.0
253.09186	2.9
256.13129	0.6
263.20255	0.4
265.18106	0.5
279.19553	0.4
289.18066	3.8
307.19162	10.5
308.19565	1.2
325.20245	2.9
343.21329	0.7
427.52835	0.5
459.18338	0.6
477.19589	1.9
543.28308	0.7
601.97913	0.4
767.38800	4.8
768.38934	1.4
785.39624	100.0
786.39954	25.9
786.54895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.3
58.00585	0.2
59.01382	8.2
60.01723	0.2
61.98831	100.0
69.13369	0.2
71.01382	5.2
71.51889	0.2
72.99308	0.4
73.02948	4.4
78.95920	0.8
81.03525	0.2
83.01392	1.5
85.02937	2.0
87.00901	0.5
88.98820	0.3
89.02453	1.5
95.01394	0.3
96.96029	0.4
96.97017	0.3
101.02446	4.4
101.03117	0.3
104.97109	0.2
109.02938	0.3
111.00931	0.3
113.02441	1.9
116.92881	0.9
119.03512	0.7
121.02966	0.6
129.01947	0.2
137.02359	0.2
138.67477	0.2
143.03506	0.5
145.02933	0.3
149.04584	0.3
150.03258	0.3
159.04497	0.5
160.05328	0.8
161.04663	0.6
161.06068	0.4
162.03291	0.3
167.93147	0.2
172.05380	0.3
173.06102	0.4
175.04117	0.3
175.07690	0.3
189.05635	1.0
190.06372	0.7
191.02113	0.3
197.11943	0.3
205.08662	0.5
209.11906	0.3
210.12265	0.4
254.05856	0.3
255.06621	0.3
266.05801	0.3
267.06769	0.3
268.07498	0.3
269.08224	1.2
281.08286	0.4
283.06546	0.2
283.09860	0.6
284.10498	0.3
307.09619	0.3
307.19412	0.7
308.19595	0.5
360.41037	0.2
415.15140	0.2
429.13852	0.8
441.13712	0.3
444.15796	1.4
459.17969	2.0
460.17780	0.3
471.18753	0.3
474.17035	0.4
486.17041	0.4
489.19199	5.8
490.19565	1.0
501.19217	5.8
502.19751	0.8
578.33191	0.4
651.24469	2.2
652.24799	0.6
663.24475	1.5
664.24738	0.3
669.25842	1.0
681.25793	0.6
707.34961	0.5
711.26617	8.0
712.26703	1.8
723.26489	2.1
724.26868	0.3
741.36115	0.3
803.99890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25491	0.5
59.01380	15.9
61.98830	100.0
69.18729	3.0
69.19155	1.8
71.01379	6.9
73.02951	3.0
75.00883	0.7
78.95909	1.5
83.01397	1.5
85.02964	3.8
85.88608	0.5
87.00900	1.8
88.98833	0.8
89.02470	1.8
95.01417	0.5
96.96021	1.8
96.96981	1.0
98.20406	2.8
99.00835	1.2
100.15795	0.5
101.02454	4.3
108.02186	1.3
113.02469	1.6
116.92872	6.0
119.03506	0.8
119.05007	0.7
121.02969	1.9
123.04514	0.9
126.90499	0.9
129.01953	1.0
135.04582	0.7
143.03554	0.6
145.03012	0.7
150.03192	0.8
172.72498	0.5
180.07965	0.9
195.10286	1.0
206.32544	0.5
223.09824	1.3
253.04941	0.9
264.04443	0.7
265.05078	2.3
266.05887	0.6
277.05127	1.0
278.05997	0.8
308.19556	0.7
310.08643	0.7
325.10812	1.1
367.14188	1.0
385.15100	1.3
414.11060	0.7
415.11826	0.7
417.13824	0.6
427.52539	0.6
429.13379	1.0
430.14444	1.1
431.15076	1.1
443.15146	1.5
474.17075	1.5
475.17749	1.5
477.19702	1.0
486.17117	1.1
489.19485	1.9
501.19284	1.2
503.17456	0.7
603.18994	1.2
618.21399	0.9
621.21332	2.3
624.22772	1.3
633.23303	4.5
634.24054	0.7
635.59290	0.6
636.22913	1.8
637.21863	0.6
639.24689	2.7
640.25012	0.9
645.23602	3.5
646.24188	1.0
651.24347	5.9
652.25354	1.0
663.24512	10.5
664.24969	2.0
681.25500	24.3
682.26093	6.2
693.25500	39.2
694.25983	9.3
705.25775	8.5
706.26404	2.0
711.26807	5.0
723.26727	10.5
724.26837	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	784.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61514	0.2
59.25722	0.2
61.98830	100.0
64.74886	0.2
66.99435	0.2
70.25520	0.7
80.96526	0.4
165.00589	0.3
176.70187	0.2
376.39197	0.2
775.99280	0.3
779.30811	0.3
784.40662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98830	100.0
71.51996	0.3
78.95914	0.2
85.02908	0.2
113.81896	0.2
116.92870	0.2
122.54056	0.2
153.12344	0.2
176.20932	0.2
182.46574	0.2
197.11856	0.4
242.31793	0.3
277.21918	0.5
278.21854	0.3
538.46771	0.2
784.48340	0.3
797.76501	0.2
814.91156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69448	0.1
59.01361	0.1
61.98831	100.0
62.98538	0.2
65.25763	0.1
70.65274	0.2
70.65620	0.1
102.90321	0.1
105.54730	0.1
116.92872	1.0
174.39685	0.1
187.45073	0.1
207.10278	0.2
209.11836	1.6
226.22314	0.1
253.09409	0.2
277.21860	0.4
278.21936	0.1
279.23300	0.8
437.63620	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	784.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47900	0.1
59.01369	0.2
61.98831	100.0
62.98550	0.2
70.11188	0.3
78.95905	0.1
98.20549	0.1
116.92860	0.2
120.48001	0.1
148.48433	0.1
207.10262	0.2
209.11845	0.1
236.48819	0.1
277.21890	0.4
279.23395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20400	0.1
59.01358	0.2
61.98828	100.0
62.98571	0.1
70.46995	0.1
71.01364	0.2
72.92793	0.1
78.95909	0.5
79.95766	0.1
83.01416	0.1
85.02956	0.2
87.00858	0.1
89.02454	0.1
91.50266	0.1
96.96028	0.4
96.96970	0.3
116.92863	0.4
126.13155	0.1
126.90575	0.1
144.32361	0.1
158.92564	0.1
282.24493	0.1
303.45081	0.1
366.28192	0.1
491.68109	0.1
638.05817	0.1
653.77063	0.1
656.40753	0.1
703.31982	0.1
751.98132	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	783.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01375	5.6
59.89692	0.4
61.98830	15.0
67.04902	0.3
69.50993	0.4
71.01385	3.3
73.02974	0.9
80.02677	1.1
81.03487	0.6
83.01396	0.5
83.05045	3.0
85.02943	0.9
87.00877	1.2
87.05489	0.4
89.02431	2.2
95.05003	0.5
98.20768	0.7
100.85356	0.5
101.02441	3.5
113.02451	1.3
119.03497	0.7
135.08170	0.7
145.05128	0.5
161.04597	0.6
163.11281	2.0
165.12889	1.1
191.10765	0.7
209.11819	73.3
210.12189	4.8
211.13445	0.6
223.09700	0.4
227.10762	0.7
227.12888	10.4
228.13408	0.6
235.08250	5.6
236.08475	0.5
251.95207	0.4
253.09311	10.0
254.09656	0.7
277.21710	100.0
278.18967	0.5
278.22055	10.3
293.21109	0.6
318.27692	0.4
406.52875	0.4
445.20490	0.6
465.02512	0.4
513.30603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63799	0.3
59.01379	9.1
61.98829	1.9
69.03455	0.7
71.01385	3.0
71.67276	0.4
73.02924	0.4
75.67719	0.4
83.05023	0.5
85.02956	1.1
87.00873	0.4
89.02435	2.4
95.01416	0.4
98.20661	0.9
101.02436	2.7
111.08157	0.5
113.02468	1.7
114.07837	0.3
119.03530	0.4
141.83934	0.3
161.04544	1.4
167.10832	0.5
183.13925	5.9
193.12341	2.0
195.13872	4.3
196.14543	0.4
211.13388	100.0
212.13739	7.0
219.66882	0.4
223.13416	2.6
235.08276	3.5
237.42960	0.3
253.09282	14.2
254.09586	0.7
256.13229	0.5
275.20157	5.1
291.19720	0.4
293.21234	59.7
294.21561	6.2
447.22354	8.8
448.22797	1.4
487.34351	0.8
511.29559	0.4
529.30176	1.7
530.30957	0.6
723.43121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
59.01379	3.9
60.16640	0.2
60.67288	0.2
61.98832	3.9
69.91624	0.9
71.01374	2.5
72.99287	0.2
73.02943	0.6
73.48435	0.2
75.00843	0.3
78.95960	0.3
80.02680	1.0
81.03455	1.2
83.01394	0.4
83.05026	4.5
84.02162	0.7
85.02952	0.7
87.00861	0.4
89.02446	2.0
95.05038	0.4
101.02442	1.8
113.02432	1.2
119.03502	0.6
119.43171	0.2
125.06028	0.5
128.39178	0.3
134.89429	0.4
135.08180	0.3
141.78677	0.3
151.90114	0.3
161.04556	0.7
163.11281	3.4
165.12851	2.3
169.58235	0.2
179.05620	0.5
181.12355	0.7
191.10776	1.0
192.27240	0.2
209.11821	100.0
210.12167	6.3
227.12883	10.2
228.13152	0.7
235.08192	1.3
253.09296	6.3
273.59915	0.3
277.21719	49.7
278.22025	4.6
287.16608	0.3
394.39465	0.3
445.20718	2.1
448.77472	0.3
547.72119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
59.01385	10.9
61.98831	19.0
69.03429	5.3
71.01387	8.8
71.05007	2.6
78.95911	2.8
81.03464	1.3
83.05021	2.2
85.02943	4.8
87.00874	1.3
89.02426	4.5
90.04261	1.2
95.01358	1.6
95.05007	1.9
96.96024	1.4
97.02942	1.5
97.06568	2.5
98.20428	9.8
101.02453	6.1
103.40211	1.4
107.05009	3.7
109.06557	2.5
113.02460	2.8
113.06080	1.4
116.92863	6.6
119.03458	1.4
123.04545	1.6
123.08142	2.2
125.06076	1.6
125.09724	7.9
126.90489	1.9
135.08121	1.9
148.72978	1.3
151.11234	3.9
153.09216	4.2
153.12750	2.9
161.09665	5.0
163.11259	4.5
171.10234	1.8
176.08398	1.4
178.09998	2.4
179.10776	8.6
185.11798	3.2
187.09848	1.7
191.10811	1.6
195.10165	1.6
197.11826	81.2
198.12157	5.4
203.12703	1.7
207.10223	6.6
209.11798	32.8
210.12138	2.8
223.13322	3.4
225.11243	2.3
236.10339	1.7
236.86551	1.3
241.10739	3.1
249.57405	1.4
253.09213	4.2
261.18475	1.8
277.72293	1.3
287.16461	4.9
305.17560	10.5
323.18616	2.9
327.21576	1.9
473.25504	1.3
477.19824	2.6
541.25995	2.1
551.58112	1.6
721.38477	6.6
765.37030	13.6
766.36938	3.6
783.38043	100.0
784.38318	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03950	0.1
58.81298	0.1
59.01374	0.4
61.98826	0.5
69.03448	0.1
71.06584	0.2
71.06908	0.2
73.02956	0.8
75.55774	0.1
76.03163	0.1
87.08329	0.1
87.51380	0.1
94.84581	0.1
99.00867	0.3
99.12717	0.1
99.92583	11.1
100.92593	0.4
101.02436	0.1
109.94778	0.1
114.93417	0.3
116.92860	100.0
117.01933	1.5
117.92870	5.4
150.77846	0.1
171.10226	0.3
195.13934	0.2
197.11757	0.1
223.13367	1.3
235.08356	0.2
253.09190	0.3
255.22864	0.1
287.85330	0.1
291.19641	0.1
316.99634	0.1
341.23386	0.6
341.27585	0.1
355.38266	0.1
369.87515	0.1
459.22430	0.2
783.42114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79340	0.1
61.98829	100.0
62.98538	0.2
68.27227	0.1
70.77808	0.2
88.20287	0.1
98.57791	0.1
396.59338	0.1
401.22726	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	781.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01373	3.1
59.69476	0.4
60.00838	0.4
60.10376	0.4
61.98822	0.5
71.01381	0.7
71.52305	0.6
75.00872	73.6
76.01227	0.7
81.03447	2.7
83.05029	5.6
85.02936	2.2
85.86313	0.4
96.96024	0.6
101.02433	1.0
103.00372	100.0
103.03998	1.8
104.00713	1.2
104.03519	1.6
129.01920	0.4
143.08240	0.5
150.03236	0.5
153.50917	0.4
191.01974	0.8
207.15131	0.4
224.17650	1.3
225.16077	6.6
253.44780	0.4
347.18460	0.4
367.27139	0.8
378.38797	0.4
395.50943	0.4
433.31946	0.6
450.34711	0.5
451.32947	3.2
452.32806	0.8
459.71609	0.4
550.43347	0.7
659.48584	0.9
677.49689	78.8
678.49939	17.7
781.50867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
60.99307	18.3
61.98829	29.5
69.16227	1.3
69.16655	1.7
71.01389	0.6
85.02930	0.7
87.00855	0.4
88.00399	1.2
88.98805	100.0
89.02435	4.3
89.99146	1.3
98.19846	0.7
101.02483	0.4
104.68164	0.3
106.61255	0.4
108.07706	0.4
116.92844	1.2
120.32491	0.3
126.90552	0.5
136.89168	1.6
138.28848	0.3
185.11404	0.3
209.11774	0.4
273.17133	0.4
293.21106	0.9
337.46793	0.3
397.13693	0.4
415.14603	0.5
783.96545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01377	18.2
60.01694	0.3
61.98832	2.6
63.99235	0.3
69.03451	1.4
71.01382	3.1
71.05009	0.6
71.26376	0.7
73.02962	0.4
78.02432	0.2
80.96532	0.7
83.01401	0.3
83.05028	0.5
85.02959	0.8
85.06593	0.4
87.00843	0.3
87.73576	0.2
89.02438	2.3
93.03453	0.4
94.98171	0.3
101.02444	2.7
109.06623	0.4
113.02451	1.2
117.68837	0.3
119.03512	0.3
123.62975	0.3
126.57876	0.3
135.11836	0.3
140.71265	0.3
143.03485	0.4
145.04988	0.4
149.09734	0.4
151.11392	0.4
161.04544	1.2
161.13315	0.5
167.10777	2.5
177.12839	0.4
179.05635	0.9
179.10797	0.9
179.14403	3.1
195.13898	9.1
196.14285	0.5
205.12326	10.3
206.12682	0.4
212.13049	0.3
223.13377	100.0
224.13716	6.0
235.08162	1.6
253.09258	6.9
277.21698	63.8
278.22034	6.1
441.21341	2.8
442.21570	0.5
459.22324	17.4
460.22726	1.9
513.30304	0.7
517.53680	0.3
719.43579	3.2
720.44025	1.0
779.39203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01379	4.5
61.98833	1.9
69.66569	1.8
69.66977	0.9
71.01369	2.7
71.57729	0.4
71.69132	0.4
75.00873	77.8
76.01215	1.2
78.97649	0.4
79.97845	0.4
85.02958	0.5
87.00859	0.6
88.79825	0.4
89.02452	1.3
101.02459	1.7
103.00372	100.0
103.04000	0.9
104.00743	1.2
104.03526	0.5
113.02480	1.0
116.92867	0.6
119.03513	0.7
125.02456	1.2
126.04635	0.4
143.03519	0.5
161.04507	0.6
179.05568	0.6
223.13397	1.0
235.08173	1.0
257.59610	0.5
277.21677	5.1
278.22104	1.2
293.53519	0.4
304.58771	0.4
305.08755	0.4
305.17520	0.8
397.13492	10.0
398.13928	1.0
415.14569	3.5
474.76208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
61.98835	4.8
70.92661	0.9
71.01387	1.9
73.02950	0.4
75.00871	78.7
76.01213	0.7
85.02901	0.6
89.02441	1.7
101.02405	2.2
103.00372	100.0
103.04017	1.0
104.00732	1.8
104.03500	0.4
113.02464	0.8
116.92857	0.8
119.03517	0.5
125.02446	0.9
143.03551	0.4
161.04712	0.6
172.93135	0.4
235.08241	1.1
253.09412	0.6
277.21686	4.5
278.22043	0.5
305.08655	0.5
397.13458	7.6
398.13638	0.9
415.14334	2.2
699.49084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77760	0.6
57.03443	1.7
57.96093	0.6
58.00591	1.1
59.01378	20.4
61.98821	4.8
69.03419	0.8
69.37650	3.5
69.38052	1.2
71.01009	1.4
71.01377	17.5
72.99308	2.3
73.02934	3.0
80.02666	0.6
82.23208	0.6
82.89599	0.6
83.01378	2.2
83.05029	0.9
83.46811	0.7
85.02951	4.6
87.00872	3.1
88.98801	1.9
89.02441	14.6
95.01376	1.3
96.96010	1.5
97.02946	2.7
99.00876	2.0
101.02441	12.8
111.08138	2.9
113.02449	6.8
116.92860	2.4
119.03491	3.1
123.04552	0.8
125.02460	5.5
125.09714	0.9
126.90537	1.4
127.11327	1.2
133.02350	0.7
141.01892	1.0
143.03470	2.7
153.09239	1.4
153.12845	3.5
155.10832	0.9
161.04561	2.7
165.12825	0.7
167.10760	2.0
169.12297	0.9
171.10231	2.1
179.05598	3.4
179.14568	1.8
181.12361	2.8
182.94043	0.7
187.82536	0.6
191.02042	0.8
193.16055	0.9
197.11812	7.2
199.13409	0.9
207.13858	2.2
209.11845	2.8
221.06647	1.2
226.12062	0.9
227.12854	1.3
235.08279	3.5
247.20677	4.5
253.09222	1.1
263.20120	0.8
273.18640	1.5
280.74393	0.7
281.21329	1.5
291.19635	26.7
292.19885	3.5
293.20880	0.7
309.20697	100.0
310.21082	9.7
397.13467	29.0
398.13910	3.1
415.14575	23.2
416.14938	2.2
517.31757	2.2
698.50006	0.7
707.34930	22.1
708.35284	6.1
743.32660	3.0
773.58539	0.8
780.31342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
58.00582	1.0
59.01381	19.6
61.98830	31.3
66.31459	1.0
69.78615	5.0
71.01377	15.5
72.99289	1.3
73.02936	2.5
75.00858	1.7
78.95905	1.4
83.01389	3.4
85.02945	6.5
87.00864	2.0
88.98822	2.3
89.02448	14.5
96.95999	1.9
97.02941	1.9
98.20671	1.3
99.00879	1.2
101.02446	12.2
109.06608	1.4
111.08128	1.7
113.02482	5.5
116.92847	4.7
119.03501	4.7
119.05070	1.0
125.02443	4.0
125.09717	1.3
127.11201	1.1
141.01921	1.3
143.03479	1.7
153.09213	1.4
153.12846	4.2
155.10762	1.5
161.02419	1.5
161.04564	4.7
164.79825	0.9
167.10704	2.1
171.10292	1.6
179.05629	2.2
179.14386	1.1
181.12424	2.5
197.11826	2.8
199.13223	1.4
207.13875	2.2
209.03024	1.1
209.11823	1.2
221.06615	1.2
226.12120	1.0
227.12923	1.3
235.08180	2.4
247.20668	4.8
253.09418	1.4
273.18655	2.4
281.21249	1.5
291.19644	28.2
292.19962	2.5
298.81442	1.0
306.60510	1.0
309.20694	100.0
310.20996	11.6
397.08270	2.1
397.13461	32.4
398.13879	3.0
415.14594	20.8
416.14774	1.5
417.08664	1.1
459.12338	1.1
498.52698	1.1
707.34839	23.6
707.46344	1.9
708.35052	5.8
743.32568	6.1
768.64618	1.0
779.30737	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	779.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93538	0.4
57.03446	0.9
57.53975	0.4
58.00603	0.7
59.01381	15.8
61.97567	0.5
61.98837	1.4
69.03458	0.9
70.06665	1.6
71.01383	13.3
72.99318	1.0
73.02950	2.0
81.03461	1.1
83.01418	1.2
83.05052	0.6
85.02958	4.7
87.00883	3.1
88.98816	0.4
89.02447	11.3
95.01405	1.2
96.95988	0.8
97.02951	2.0
97.06569	0.6
99.00892	1.3
99.92565	0.7
101.02446	8.3
109.06616	0.9
111.00893	0.7
111.08163	0.7
113.02455	5.2
114.93416	0.5
116.92861	3.1
119.03489	4.3
123.08180	0.8
125.02448	3.5
125.09696	1.3
125.57404	0.4
126.90486	0.6
131.03519	0.5
143.03496	1.5
153.12805	0.7
161.04544	2.1
163.11285	2.7
165.12831	4.7
171.10220	0.7
179.05620	2.2
179.14423	1.9
181.12346	1.4
182.12979	0.5
191.01990	0.6
193.16019	1.8
197.11850	1.9
200.37859	0.5
209.03064	0.5
209.11816	1.7
219.17659	0.5
221.06622	1.5
223.13426	1.9
235.08212	3.0
245.69505	0.5
247.20647	6.4
250.60999	0.4
253.09392	0.8
263.07706	0.4
273.18649	2.0
273.57019	0.4
287.07678	0.6
291.19647	63.4
292.20007	5.8
309.20703	100.0
310.21075	9.7
397.13492	27.8
398.13824	2.7
415.14548	28.3
416.14899	1.7
689.33356	1.0
707.35028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
58.00589	0.9
59.01381	17.6
61.98838	3.6
66.32610	0.7
69.03448	0.9
69.15161	1.6
69.15557	6.9
71.01016	0.9
71.01385	13.8
72.99284	1.1
73.02940	1.8
81.01263	0.6
83.01382	1.6
85.02944	3.8
87.00893	3.0
88.98830	0.6
89.02437	12.6
95.01350	1.0
95.04977	0.8
96.96021	2.0
97.02950	2.3
98.19898	1.8
99.00877	1.0
101.02452	9.6
104.51671	0.8
106.97562	0.7
113.02451	6.0
116.92856	2.0
117.05624	0.7
119.03504	2.7
119.42342	0.8
123.08215	1.0
125.02468	3.7
125.09689	1.5
128.03554	1.1
143.03516	1.6
150.03180	1.2
161.04564	2.9
163.11290	2.8
165.12854	4.8
171.10252	1.1
179.05606	3.1
179.14413	1.5
181.12372	1.8
193.16013	2.2
209.11816	2.2
221.06630	1.2
223.13374	1.5
235.08157	3.7
242.33017	0.6
247.20677	5.0
248.20984	1.1
251.25914	0.7
253.09286	1.3
263.07565	1.0
273.18628	2.4
287.07712	0.9
291.19659	63.8
292.20041	5.9
305.08713	1.1
309.20715	100.0
310.21051	9.6
340.64563	1.0
397.08295	1.4
397.13516	25.1
398.13837	1.9
415.14560	26.9
416.14880	1.4
652.83533	0.7
707.34827	2.2
708.36017	0.9
735.33301	0.8
736.33972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03165	1.0
57.03447	20.6
58.00575	1.3
59.01377	41.0
61.98806	1.0
69.46181	4.0
69.46600	1.8
71.01379	45.3
72.99301	2.8
73.02946	9.3
75.00847	0.9
76.47675	0.7
79.95708	0.8
80.99960	0.7
81.03458	1.1
83.01385	8.6
83.05020	0.9
85.02950	27.0
87.00874	2.8
89.02442	17.6
95.01392	3.8
96.95992	2.1
97.02936	1.5
99.00879	7.1
99.04515	17.4
101.02438	37.2
107.48219	0.7
109.02985	0.9
111.00887	4.3
113.02445	18.2
114.02883	0.8
117.03526	0.9
117.49751	0.9
119.03490	7.1
119.05033	1.0
121.02937	5.6
125.02456	8.5
126.48772	0.8
129.01944	10.5
131.03523	1.0
132.02130	1.0
133.02950	21.0
134.03780	8.7
134.10384	0.7
135.04538	8.7
137.02431	1.5
143.03505	6.1
145.01492	0.9
145.06642	0.8
147.03055	0.9
147.04465	0.8
149.06082	1.4
154.99940	1.2
159.02975	3.6
159.08121	1.1
160.01563	1.0
160.08932	8.7
161.02440	65.5
161.04486	19.9
162.02757	2.8
163.04012	1.0
173.00896	12.2
173.09633	1.4
175.03984	1.4
175.09792	1.5
175.11263	15.9
178.02652	0.8
179.03519	6.3
191.01965	2.9
193.05038	8.6
205.03493	3.6
207.06671	1.1
219.03033	2.0
219.10254	8.6
223.04549	3.5
235.11829	5.7
246.73120	0.8
251.05884	5.2
251.11336	100.0
252.11630	4.3
277.12799	2.7
335.04092	7.0
349.05551	2.5
367.06677	16.9
368.07108	1.7
379.11258	0.6
379.16052	15.5
380.16425	1.4
399.08875	8.5
399.12921	55.3
399.16876	17.4
400.09018	1.0
400.13007	5.0
400.17316	2.2
680.49091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98540	0.2
70.77812	0.3
194.44014	0.1
261.04160	0.1
379.34570	0.1
391.18961	0.1
400.33099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40596	0.2
61.98830	100.0
62.22063	0.3
62.98543	0.3
69.65852	0.2
73.86698	0.2
98.20758	0.4
117.87850	0.2
142.76378	0.3
229.38261	0.2
312.19489	0.2
332.95032	0.2
371.61899	0.2
674.61371	0.3
777.40912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
57.03447	25.3
58.00574	1.4
58.03788	1.0
59.01380	44.3
61.98824	1.2
68.99825	1.2
71.01382	47.1
72.99307	3.6
73.02949	12.7
78.95863	1.0
81.03368	1.1
83.01385	16.5
85.02953	39.4
87.00879	3.3
89.02448	17.7
90.29424	0.8
95.01408	3.2
96.96008	6.0
97.02950	2.3
98.53001	1.1
99.00880	9.6
99.04517	18.1
101.02445	42.6
109.02966	1.1
111.00893	7.0
113.02449	18.0
115.00385	2.0
115.03976	0.9
117.03469	2.3
119.03491	7.9
119.05030	1.4
119.93291	0.8
121.02951	5.2
124.21580	0.9
125.02459	9.4
129.01949	20.4
131.03458	1.3
133.02957	30.1
134.03751	19.4
135.04544	10.6
137.02449	2.9
143.03500	10.0
145.01329	1.0
147.03053	1.4
147.04477	1.1
149.06090	2.5
154.99907	2.2
159.02972	3.0
160.01649	1.4
160.08917	4.2
161.02446	99.2
161.04454	16.5
162.02834	4.9
165.01866	1.5
173.00899	19.2
175.04005	3.7
175.11255	6.4
178.02744	1.8
179.03471	8.9
191.01961	6.2
193.05057	15.0
205.03558	5.0
205.05208	1.0
207.06548	1.2
219.02968	2.3
219.10283	3.5
223.04631	5.7
233.08124	1.1
235.11951	6.2
251.05872	6.1
251.11360	100.0
252.11624	5.2
261.07681	1.9
277.12924	4.1
291.05151	2.3
317.15964	1.6
323.07645	1.2
335.04037	9.7
337.05923	1.2
349.05725	5.8
367.06689	29.0
368.06927	2.5
379.16092	22.5
380.16452	2.4
399.09012	21.6
399.12973	54.1
399.16833	4.1
400.08844	1.6
400.13702	5.8
432.57803	1.0
440.11279	1.0
441.10986	1.2
499.97595	1.2
542.05475	1.1
695.51831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	0.1
78.95901	7.2
79.95736	3.4
79.96212	0.1
85.02941	0.2
88.98824	0.1
94.98103	0.1
96.96011	100.0
96.96910	9.3
97.95942	0.3
98.20061	0.6
98.20755	0.2
109.66330	0.1
126.90514	0.1
127.42071	0.1
187.85507	0.1
191.01877	0.1
209.95622	0.1
230.12050	0.1
393.23071	0.1
694.39178	0.1
704.07214	0.1
775.45782	0.6
776.46283	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	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.3
61.98826	48.9
66.90853	3.7
69.54036	4.1
69.95211	21.0
71.01369	7.4
78.95896	14.1
98.20650	4.7
141.49199	4.5
169.12280	6.1
171.10210	8.3
182.17162	4.4
209.11792	87.7
211.13416	11.2
223.13351	5.9
227.12920	23.3
227.14844	4.2
234.82826	4.2
235.08203	6.0
253.09306	25.1
275.20126	5.4
291.19574	6.8
293.21204	100.0
294.21530	9.8
358.50552	4.5
391.72394	5.4
445.20996	7.3
492.10416	4.7
522.99890	4.8
739.39099	6.0
775.40442	71.3
776.40601	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	775.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03451	2.8
59.01378	3.4
65.41185	0.4
66.69998	0.4
67.45498	0.4
68.99815	0.6
69.32926	3.4
71.01380	8.5
72.99297	1.0
73.02938	1.4
75.00863	3.1
81.49529	0.4
83.01380	4.2
84.02156	0.5
85.02949	31.2
86.03278	0.9
87.00896	2.7
89.02428	0.6
93.03451	1.0
98.15150	0.4
99.00888	1.2
101.02514	0.4
102.65811	0.4
103.00430	0.5
111.00876	5.0
115.00368	4.0
117.03436	0.5
119.05025	54.5
120.05358	2.0
129.01942	7.1
133.01402	0.5
135.04512	0.6
143.03499	2.9
145.01392	0.8
145.02962	2.7
147.02988	3.8
163.04004	100.0
164.04338	4.8
173.00899	13.9
174.01234	0.7
191.01979	16.8
192.02357	0.5
201.04488	0.4
205.03590	1.4
209.03084	0.6
223.04568	30.2
224.04980	1.4
231.06541	0.5
241.36751	0.5
293.06601	1.2
337.05630	10.9
338.05975	1.2
369.08221	16.3
370.08578	1.2
535.97766	0.5
594.40320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
57.03446	11.7
59.01381	7.1
66.50414	0.8
68.99825	1.1
69.67821	4.1
71.01376	8.0
72.99302	3.4
73.02959	0.8
75.00877	2.0
78.95911	1.8
79.36065	0.8
83.01387	3.8
84.02169	2.2
85.02948	100.0
86.03306	1.9
87.00859	2.1
89.02435	3.2
91.93905	0.8
93.03460	1.1
101.02428	1.1
103.00359	1.5
111.00883	6.1
115.00356	1.5
121.02928	2.9
122.03703	2.6
123.04527	1.6
125.22040	0.9
129.01939	15.2
133.01421	3.7
133.02917	1.0
134.03775	1.5
135.04532	15.1
137.02438	3.0
139.03984	1.6
147.03008	11.9
149.02437	3.1
161.02422	0.9
165.03891	0.9
172.62975	0.8
173.00882	4.0
178.02658	1.1
179.03506	1.7
189.05560	1.8
191.01964	57.6
192.02296	2.7
194.02142	3.2
209.03020	89.5
210.03317	2.7
223.04485	2.8
353.05148	2.0
354.05109	0.9
370.05704	4.8
371.06183	15.5
385.07809	3.7
399.44437	1.0
402.99826	1.8
403.08829	48.3
404.09253	4.2
418.06284	0.8
544.69525	0.8
779.03790	0.9
807.61902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
57.21386	0.4
58.76249	0.5
59.01375	5.8
61.98829	3.0
69.03465	1.1
71.01379	3.9
71.52085	0.6
73.02956	1.4
78.95927	0.4
80.02670	1.0
81.03450	1.1
83.01392	0.9
83.05035	5.3
84.02182	1.3
85.02957	6.3
87.00868	1.6
89.02431	2.8
95.05012	1.1
96.96021	0.7
97.02959	1.1
97.06600	1.8
101.02454	3.6
106.17710	0.5
113.02436	1.8
116.92851	2.6
119.03489	1.3
125.09735	1.0
127.11277	1.3
128.57556	0.5
137.09706	1.5
143.03532	0.7
145.05092	0.5
155.10774	0.9
161.04532	2.1
163.11301	3.8
165.12819	2.4
171.10263	14.7
172.10577	0.9
181.12413	0.8
183.13872	2.2
185.11768	0.8
191.10823	0.8
193.12268	0.7
201.11360	1.1
209.11818	100.0
210.12157	6.4
211.13400	10.3
212.13939	0.5
221.11833	1.5
227.12898	14.3
228.13153	0.6
229.14432	6.6
235.08235	6.4
239.12834	0.9
253.09274	19.6
254.09523	0.8
291.19656	4.0
309.20706	7.9
310.21127	1.2
327.21756	61.9
328.22104	5.8
445.20667	1.8
463.21539	0.5
472.49777	0.6
519.33551	0.9
520.33997	0.6
537.34106	0.6
545.29749	1.6
563.30847	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	772.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98831	100.0
62.98532	0.2
63.38027	0.2
67.31478	0.1
71.51424	0.2
78.95918	0.2
83.14568	0.2
90.19772	0.1
90.65349	0.1
94.33625	0.2
99.92570	0.3
116.92863	2.1
117.92918	0.7
125.09745	0.2
126.05038	0.2
129.16936	0.1
171.10365	0.4
197.11821	0.3
198.12273	0.3
277.21725	0.3
293.21152	0.3
294.22098	0.2
311.98840	0.2
639.70764	0.2
672.56989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3965
Annotation	Unguisin C
Peak:m/z	Relative Intensity
57.03437	3.6
59.01382	9.3
61.98833	4.2
69.03435	1.0
70.71333	1.6
70.71703	1.7
71.01381	9.5
72.99316	0.9
73.02939	2.2
75.00887	1.7
75.63198	0.8
80.02650	0.9
81.03487	1.0
83.01408	0.9
83.05000	1.4
84.02198	1.1
85.02990	4.7
87.00873	1.7
88.98826	1.2
89.02435	2.8
95.05041	1.1
96.92210	0.8
96.95997	1.0
97.02937	1.2
97.06588	2.5
101.02448	4.6
101.65337	0.8
109.06550	1.0
110.01305	0.9
113.02436	3.1
116.92853	4.4
119.03456	1.1
123.04534	1.0
123.08178	1.4
125.02453	0.9
125.09708	6.0
126.90481	1.1
127.07636	3.3
131.32901	0.8
137.09718	1.1
139.11279	2.4
141.12860	2.4
143.03462	0.9
149.09674	0.8
151.11374	0.8
153.09192	2.4
161.02437	1.0
161.04568	1.8
163.11285	1.3
165.12894	1.0
167.10751	3.8
171.10255	10.1
185.11826	73.3
186.12163	3.7
195.10187	1.4
197.11909	6.1
201.11299	1.7
207.10356	1.0
209.11823	22.1
210.11972	1.3
211.09848	1.1
211.13361	1.6
213.11421	1.3
227.12871	1.9
229.10896	1.8
235.08246	2.0
245.19029	1.3
251.92006	0.8
253.09238	6.2
289.18082	4.5
307.19147	10.9
325.20172	4.0
327.21689	3.8
341.23224	1.6
435.11484	0.9
465.19449	1.6
485.85660	0.9
543.28613	1.8
590.26416	0.9
755.38824	5.7
756.39166	1.4
773.39661	100.0
774.39996	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	771.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.2
58.00600	1.6
59.01382	18.4
61.98830	10.0
64.98664	1.2
71.01384	100.0
71.51752	1.5
72.01726	2.0
72.99301	2.3
73.02925	7.2
75.00894	2.1
78.88226	1.4
80.02671	2.0
81.03457	3.2
83.01359	1.7
83.05034	7.1
84.02151	1.9
85.02952	6.7
87.00865	4.3
89.02430	6.7
93.03438	1.9
94.76886	1.5
95.05012	3.5
97.02937	5.2
97.06582	3.3
99.00889	2.4
101.02449	7.1
105.14541	1.4
106.99043	1.3
109.06609	13.1
110.03675	2.2
113.02441	4.4
116.92840	3.4
119.03497	1.3
125.09719	6.5
126.41606	1.5
127.07660	3.0
127.11282	3.4
135.08189	2.8
139.07614	2.6
151.11230	2.7
153.09175	6.6
155.10811	1.8
161.04523	2.3
161.09709	2.1
163.11296	11.9
165.09125	1.8
165.12817	4.5
169.12350	2.2
171.10274	67.0
172.10670	3.4
179.10709	1.5
181.12344	6.0
183.07249	1.3
185.11861	8.3
197.11809	10.9
199.13408	10.4
201.11307	26.0
207.10272	27.4
208.10626	2.4
209.11836	91.6
210.12135	6.6
211.13382	7.1
213.11342	1.6
215.12912	2.4
223.13388	4.9
225.11316	28.6
226.11613	1.7
227.12889	29.3
229.14388	5.8
231.92862	1.6
235.08266	7.8
243.12358	3.1
245.19081	2.8
247.20634	3.4
253.09286	21.4
263.20181	2.1
273.18637	1.8
289.18018	7.6
290.18283	1.5
291.19662	45.9
292.19894	3.3
293.21210	3.9
305.17477	2.8
307.19180	23.6
308.19409	1.7
309.17212	3.1
309.20724	53.4
310.20901	6.5
323.18863	1.8
325.20145	6.2
327.21460	2.1
329.22748	1.5
331.84863	1.6
333.20587	1.6
341.23325	4.5
356.76630	1.5
359.29156	1.4
443.19196	1.5
461.20096	6.5
463.21719	3.9
543.27875	4.5
735.39392	5.4
753.40222	10.4
754.40582	3.4
771.41656	23.7
772.41663	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	771.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
58.57235	0.3
59.01380	4.0
61.98827	0.5
69.03448	0.4
71.01381	4.3
71.05015	0.5
72.99318	0.3
73.02939	1.3
73.32419	0.3
73.93233	0.3
80.02679	1.5
81.03448	2.2
83.01379	0.6
83.05024	5.0
84.02154	1.1
85.02940	1.6
87.00866	0.7
89.02448	2.5
93.43755	0.3
95.01375	0.7
95.05041	1.4
97.02943	0.5
97.06594	1.1
99.00893	0.4
99.04523	0.6
99.08120	0.3
101.02438	3.2
109.06541	0.7
111.08159	0.4
112.05299	0.5
113.02447	1.3
113.09765	0.4
115.07632	0.8
116.92861	0.3
119.03477	0.5
121.02939	0.6
122.03735	0.5
123.04491	0.6
123.08177	0.6
125.02475	0.4
125.06051	0.7
125.09704	2.7
127.07652	2.0
127.11259	0.5
135.08171	1.9
137.09702	0.4
139.07645	0.4
141.09184	0.5
143.03517	0.5
145.05075	0.5
147.11781	0.4
153.09212	7.3
153.12769	0.3
155.10773	0.8
160.56099	0.3
161.04561	1.4
163.11279	5.4
165.12856	3.0
171.10265	14.7
175.77884	0.3
178.09979	1.7
179.05640	0.6
179.10724	0.3
181.12366	1.0
185.11812	3.8
191.10777	2.5
191.14452	0.9
197.11832	3.3
198.12238	0.4
207.10222	0.7
208.10933	0.3
209.11818	100.0
210.12148	6.4
211.13353	0.5
221.11873	0.5
225.11288	0.6
227.12871	13.3
228.13179	0.7
235.08272	2.7
238.12091	1.2
239.12689	0.4
245.19075	1.2
251.16681	0.4
253.09262	9.3
253.17924	0.3
254.09692	0.4
263.20255	0.7
265.18488	0.3
271.17093	0.4
279.19620	0.5
289.18066	6.8
290.18234	0.6
297.20508	0.6
307.19138	34.9
308.19427	3.6
325.20187	13.7
326.20609	1.5
335.22321	0.3
345.20758	0.9
363.21771	0.5
407.19266	0.4
445.20914	1.0
474.20984	0.5
511.79416	0.3
517.31537	0.4
525.26770	1.9
543.28076	8.6
544.28625	1.7
561.29224	1.9
611.30566	0.4
638.87451	0.3
666.32953	0.8
679.89203	0.3
684.33319	1.6
735.39496	3.7
736.39697	1.6
753.40704	6.0
754.41089	1.6
771.41455	2.7
772.42328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78427	0.4
55.01865	1.0
55.82970	0.4
57.03428	1.9
59.01382	6.9
61.98827	2.5
68.99794	0.5
69.03459	0.8
69.61294	0.9
69.61708	1.8
71.01381	5.6
71.05020	2.7
73.02941	1.3
82.00493	0.3
83.01386	0.7
83.05020	1.2
85.02956	1.8
89.02451	3.3
95.01419	0.4
95.05003	0.8
96.95997	0.6
97.02942	4.7
97.06579	2.4
98.20571	0.5
99.00880	18.1
101.02432	3.0
103.65823	0.4
106.04236	0.5
106.64915	0.4
109.06596	1.4
110.03709	1.3
113.02439	2.2
116.92826	0.7
119.03484	0.8
122.67439	0.4
123.04490	0.5
123.08141	1.5
125.09722	6.8
127.11256	0.6
135.08212	0.9
136.05309	0.5
137.09674	0.5
142.02682	1.2
153.12874	0.8
155.14404	0.6
160.82515	0.4
161.04520	0.6
161.09761	0.5
163.11279	11.5
164.11688	0.4
165.09200	0.5
165.12816	1.7
171.10252	1.7
179.05566	0.5
179.14391	0.7
181.12343	19.1
182.12614	1.1
185.11736	0.8
189.09166	0.5
193.15985	0.6
197.11807	1.5
199.13383	14.2
200.13724	1.1
207.10251	32.5
208.10611	2.1
209.11830	3.6
211.13432	0.5
222.12128	0.4
223.13332	0.9
225.11316	43.2
226.11661	2.6
227.12877	1.2
235.08148	0.5
243.12360	27.5
244.12677	1.8
247.20601	1.6
253.09251	1.9
273.18390	0.6
291.16672	0.8
291.19672	10.5
292.19766	0.9
307.19257	0.7
309.20734	6.0
310.21027	0.6
327.21573	0.5
402.24405	0.5
461.20352	2.7
462.08014	0.5
479.21313	9.6
480.21194	0.9
544.30872	0.5
611.34277	1.6
629.35492	1.3
753.39545	1.0
771.41669	100.0
772.42017	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	771.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03435	1.5
59.01102	0.8
59.01380	8.7
61.98830	13.8
69.03441	0.8
71.01067	0.6
71.01382	6.4
71.05004	2.2
71.51809	0.6
71.52187	0.6
73.02924	1.1
78.95903	5.5
79.95728	0.7
83.05037	0.9
85.02944	1.5
87.00880	1.2
89.02437	2.7
94.92501	0.6
94.98067	2.1
95.05013	1.3
96.96945	0.8
97.02959	3.8
97.06573	2.5
98.74787	0.6
99.00880	10.9
101.02434	3.8
109.06572	1.5
110.03686	0.6
113.02433	1.9
116.92829	1.4
119.03513	0.6
123.08140	1.4
125.09713	7.0
126.97969	0.5
127.11223	1.4
135.08252	0.6
142.02672	0.6
152.99554	2.1
161.04492	1.1
163.09981	0.4
163.11279	9.9
164.11636	0.5
165.09184	1.0
165.12877	3.0
165.90361	0.6
171.10211	1.4
179.14426	0.9
181.12341	13.7
182.12651	1.0
185.11911	0.7
197.11740	2.4
199.11523	0.6
199.13374	18.1
207.10255	27.0
208.10580	2.4
209.11763	2.0
211.13336	2.4
223.13377	1.3
225.11310	44.3
226.11620	2.7
235.08206	0.9
243.12360	10.2
244.12614	0.9
247.20593	3.2
248.21132	0.6
253.09299	4.4
259.15491	7.4
291.19656	26.0
292.19998	2.7
293.21149	3.2
309.17233	1.2
309.20697	20.4
310.21072	1.8
341.23193	1.6
445.19302	0.7
461.20380	5.6
479.21353	1.7
527.28564	0.8
753.40021	3.6
754.41144	1.5
771.41644	100.0
772.41980	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	771.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.1
61.98834	100.0
69.86366	24.4
71.01397	6.8
78.95901	22.4
116.92904	6.8
152.99580	7.4
171.10207	7.5
185.11897	6.2
195.13815	5.7
209.11783	9.1
210.85887	6.5
211.44066	7.0
223.13377	37.7
225.11223	7.2
253.09258	8.0
254.00366	6.1
275.20169	10.0
293.21353	35.7
459.22079	7.6
735.42566	7.1
771.41431	52.6
772.41730	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	771.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98829	4.1
65.25759	0.2
71.01385	0.8
71.51566	0.2
71.52025	0.2
73.02945	1.6
78.95879	0.5
93.11275	0.2
99.00887	0.3
99.92580	10.1
100.92599	0.5
116.92859	100.0
117.01948	3.4
117.92869	4.8
134.89455	0.3
136.47987	0.2
182.19974	0.2
197.11899	0.4
207.10364	0.4
225.11365	0.3
277.21600	0.3
286.52072	0.2
309.20822	0.3
349.48575	0.2
351.44476	0.2
770.45117	0.2
771.43219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
57.03448	10.4
59.01377	3.7
68.99821	0.5
69.34793	3.4
71.01376	4.7
72.99316	0.7
73.02928	0.6
75.00879	2.5
83.01373	4.4
83.01743	0.4
83.39310	0.5
84.02173	2.0
85.02950	80.1
86.03279	1.1
87.00875	1.6
90.17057	0.5
101.02434	4.3
103.00391	0.9
111.00883	15.8
125.02334	0.4
129.01939	12.3
134.03726	2.2
135.04500	0.9
147.03001	6.8
161.04611	0.6
173.00958	1.3
179.03468	0.9
187.02531	0.9
191.01973	32.7
192.02274	1.4
193.05023	1.6
205.03529	19.9
206.03874	0.5
209.03033	8.9
210.03432	0.6
223.04587	100.0
224.04915	2.5
227.15915	0.4
241.64293	0.5
331.41605	0.4
337.03528	0.6
345.08557	0.4
359.04514	0.4
367.06671	1.5
385.07721	20.4
386.08047	1.9
405.03229	0.5
690.60992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03447	10.9
59.01371	6.5
68.99817	0.8
71.01380	7.3
72.99300	2.8
73.02930	0.6
75.00873	3.2
78.98660	0.3
83.01382	7.8
83.32344	0.3
84.02153	2.6
85.02946	100.0
86.03289	2.1
87.00880	0.7
89.02439	1.5
96.30140	0.4
99.00885	1.5
101.02460	0.6
103.00372	1.2
109.02918	0.6
111.00872	10.6
115.00395	1.8
129.01939	10.3
133.01404	1.0
133.02954	1.5
135.04526	6.1
143.03476	2.3
145.01431	0.6
147.02986	11.3
161.02417	5.2
173.00902	11.1
174.83345	0.4
179.03490	6.2
191.01964	64.1
192.02298	2.5
201.05666	0.5
205.03505	0.6
219.03046	0.5
223.04572	76.2
224.04962	2.9
271.32364	0.5
273.04044	0.5
291.05313	0.8
309.06201	0.8
335.04092	5.2
353.05127	26.0
354.05505	2.6
385.07736	18.2
386.08151	1.3
618.59302	0.5
633.28668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98829	100.0
62.98539	0.2
70.84440	0.1
70.84804	0.2
71.01400	0.2
85.02960	0.2
96.96053	0.1
101.02538	0.1
102.12234	0.1
116.92875	0.3
127.00300	0.1
160.66663	0.1
310.21136	0.1
459.33356	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98829	100.0
62.98540	0.3
71.01379	0.3
71.51992	0.2
71.52382	0.3
85.02947	0.4
89.29923	0.2
96.96026	0.8
97.02995	0.2
111.18570	0.2
113.02513	0.2
114.44898	0.2
115.39899	0.2
116.92884	0.6
121.02924	0.2
126.90469	0.3
127.44001	0.2
129.99860	0.2
191.01939	0.3
246.83177	0.2
249.81631	0.2
351.52585	0.2
571.87769	0.2
653.04333	0.2
683.38708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03447	15.5
59.01383	3.5
69.36237	5.0
71.01367	1.5
72.99323	0.8
73.36213	0.6
76.41130	0.6
82.85849	0.6
83.01380	7.1
84.01728	0.7
84.02174	2.7
85.02945	88.1
86.03279	2.0
93.03465	0.9
103.00373	0.7
105.46799	0.7
111.00860	1.9
117.03456	5.1
118.41393	0.7
119.05022	17.4
120.77524	0.6
125.02415	0.7
129.01938	47.5
130.02286	1.6
137.60193	0.7
145.02948	23.4
146.03288	1.4
147.02994	26.5
154.99846	2.4
160.05241	0.8
163.04005	13.2
173.00897	46.6
174.01227	1.7
187.04030	1.2
191.02045	0.7
203.07124	3.8
209.03023	0.8
213.05693	0.8
227.03578	0.8
229.05064	1.2
231.06595	8.4
257.04541	2.4
275.05713	3.8
284.03302	0.9
293.06619	0.9
319.04623	10.6
320.04733	1.3
337.05624	100.0
338.05948	8.6
402.08267	0.7
409.46088	0.7
447.09305	1.8
547.61407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51249	0.1
59.01358	0.2
61.98829	100.0
62.98535	0.3
68.60674	0.1
70.42529	0.1
71.52326	0.1
81.02652	0.1
85.09227	0.1
96.96043	0.1
116.92880	0.3
126.90546	0.1
309.20947	0.1
455.58719	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	769.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.1
61.88709	0.7
61.98828	4.8
64.56200	0.7
71.01372	2.3
72.78408	0.6
85.02955	1.4
89.02435	1.9
98.20488	3.7
99.00879	1.8
101.02448	3.0
113.02496	1.6
114.93435	0.9
116.92844	2.8
119.03539	1.1
125.09716	1.1
141.84813	0.8
153.12796	1.1
161.04594	1.6
164.00597	0.7
169.12367	5.5
179.10754	0.7
181.12349	2.1
195.13927	4.7
197.11823	100.0
198.12167	5.8
207.10216	1.6
207.65834	0.6
209.11784	3.3
211.13422	0.9
223.13394	3.3
225.11331	1.8
231.21028	1.1
235.08197	4.2
239.13029	0.7
241.14433	0.8
244.98825	0.7
253.09273	13.7
255.23326	2.9
256.13290	0.7
275.20126	6.5
277.21671	2.7
291.19516	0.8
293.21213	55.8
294.21494	5.3
433.20724	11.7
434.21185	1.1
473.32703	0.9
529.30121	1.4
769.43652	8.1
770.43573	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	769.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03447	2.3
58.00587	0.6
59.01376	9.5
61.98832	1.4
69.03455	3.5
71.01373	6.8
71.05023	1.2
73.02931	1.7
74.46188	0.3
80.02668	0.4
81.03453	0.5
83.01376	1.4
83.05017	1.1
84.02164	0.5
85.02953	9.0
85.06544	0.6
87.00869	1.7
89.02438	4.6
91.04013	0.4
95.01395	0.6
95.05036	1.4
97.02911	1.9
97.06581	3.1
98.19889	0.8
99.00866	0.4
101.02454	6.1
109.06564	0.6
111.08176	0.6
113.02456	3.6
113.70168	0.3
119.03494	1.3
119.08655	0.3
121.02916	0.3
123.08113	0.5
125.02484	0.6
125.09728	2.0
127.11286	1.5
133.05005	0.5
137.09734	2.6
143.03523	1.1
145.05061	1.3
147.59944	0.3
149.09756	0.6
151.11310	0.3
153.09175	0.5
155.10768	1.2
155.14430	0.4
157.05046	0.6
161.03387	0.5
161.04555	3.4
161.13358	0.3
163.11293	0.6
165.12845	1.2
167.10771	3.5
167.14461	0.5
171.10262	24.9
172.10614	0.8
177.12825	1.2
178.72357	0.3
179.05580	1.3
179.10788	2.0
179.14388	3.7
183.13921	3.1
185.11824	1.0
191.14377	0.3
193.12378	1.3
195.13890	10.8
196.14252	0.4
197.11867	2.6
199.13414	0.5
201.11314	1.3
203.10739	0.4
205.12325	10.2
206.12657	0.5
209.11841	2.7
211.13370	15.0
212.13690	0.7
221.11722	2.5
223.13376	100.0
224.13716	6.6
225.11305	0.4
227.12938	0.7
229.14395	11.1
230.14769	0.7
231.35423	0.4
235.08206	14.4
236.08482	0.5
239.12830	1.9
247.10277	0.3
247.20674	0.5
248.06447	0.3
253.09265	29.8
254.07408	0.4
254.09517	1.6
273.18396	0.4
279.41873	0.4
279.85168	0.3
291.16330	0.4
291.19611	6.6
292.20001	0.5
303.96964	0.3
309.20691	14.8
310.20789	0.6
327.21738	97.8
328.22058	10.0
351.21643	0.4
459.22330	16.4
460.22482	2.1
486.75345	0.4
486.82208	0.4
533.34845	3.0
534.34955	0.5
545.29578	3.7
546.29816	1.0
563.30713	9.5
564.30914	1.2
769.42090	4.2
770.43024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01382	7.6
61.98829	17.8
65.61523	0.7
69.03411	1.0
69.76750	1.8
69.77155	3.3
71.01382	6.5
71.05029	1.4
73.02937	1.0
80.02701	1.4
81.03467	1.8
83.01415	0.8
83.05022	6.5
84.02184	1.4
85.02971	3.8
87.00884	2.1
89.02454	2.8
95.05000	1.6
96.96005	6.1
97.02937	2.2
97.06576	1.7
98.19941	0.9
99.00880	2.7
101.02448	4.6
107.04987	1.8
109.06591	2.2
111.00902	0.9
113.02461	2.1
114.01615	0.8
116.92862	1.2
121.02947	1.2
123.08142	1.5
125.02412	2.1
125.06091	2.0
125.09723	4.4
126.90493	5.4
134.89478	0.9
135.08160	2.8
137.09703	1.0
151.36070	0.7
153.09230	4.2
161.04578	1.9
163.11281	8.5
165.12834	2.9
169.12303	0.8
171.10234	5.5
178.09898	1.0
179.10725	1.0
181.12302	3.7
185.11832	2.8
187.09755	1.5
191.01974	1.2
191.10780	2.4
197.11812	13.0
198.12225	1.5
199.13387	1.5
205.12341	1.1
207.10251	10.9
208.10551	1.0
209.11829	100.0
210.12126	6.6
211.13347	1.7
217.12431	1.3
223.13376	3.1
225.11333	12.3
227.12909	12.7
235.08269	4.1
239.12825	0.8
243.12474	3.8
253.09274	8.3
261.18500	1.6
287.16568	3.8
289.18073	2.0
290.18423	1.2
291.19666	2.1
305.17563	21.7
306.17960	1.4
307.19052	4.9
309.20636	2.2
323.18674	4.6
324.93561	0.8
325.20355	1.4
327.21677	1.9
343.18909	1.0
445.20737	1.5
461.20029	1.6
479.21564	1.2
481.85443	0.8
523.25262	1.1
541.26563	5.3
575.38226	0.9
671.33411	2.5
733.38733	4.4
734.38788	1.9
751.38959	14.1
752.39368	3.1
769.40137	26.4
770.40527	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03433	2.0
59.01376	7.9
60.51807	0.5
61.98820	2.1
69.03448	6.5
70.92967	1.2
71.01379	8.2
71.05006	2.2
71.51424	0.4
73.02929	2.3
83.01385	1.4
83.05018	1.2
85.02943	6.0
87.00873	2.5
89.02447	3.8
93.03458	0.5
95.05038	0.5
97.02944	1.7
97.06582	1.8
99.00852	0.8
101.02443	6.7
109.06564	1.2
111.08126	0.8
113.02447	3.5
119.03520	2.3
120.05490	0.5
123.04494	0.6
123.08128	1.9
125.06077	0.6
125.09716	3.4
133.05104	0.5
137.09715	1.5
145.05022	1.3
151.11316	2.4
153.12804	1.4
161.04507	2.2
161.09721	3.5
163.11263	2.0
165.12834	3.5
167.10748	1.2
171.10257	12.3
172.10576	0.7
177.12683	0.7
179.10760	7.2
179.14389	3.4
181.12325	1.0
183.13901	1.2
185.11824	0.8
191.01993	0.5
193.15944	1.0
195.13899	6.1
197.11815	60.9
198.12149	2.7
201.11308	1.1
205.12321	5.4
209.11833	5.2
211.13367	3.7
221.11717	0.7
223.13373	54.9
224.13683	3.4
225.11301	1.1
229.14384	2.4
235.08214	12.2
239.12889	0.5
241.10782	2.6
247.20683	3.7
253.09241	14.1
254.09924	0.5
273.18585	0.8
289.18002	2.1
291.19644	23.8
292.19946	2.4
292.75085	0.5
305.17468	0.8
309.20706	14.7
310.20956	1.4
327.21729	35.5
328.21933	3.4
372.06662	0.5
459.22482	12.0
460.22595	1.8
475.32672	0.5
477.19586	1.9
477.26227	0.5
533.35040	0.6
545.29834	2.3
563.30847	2.8
751.38092	0.7
760.24335	0.6
769.40118	100.0
770.40393	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	769.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
57.03445	4.3
58.00581	1.7
59.01379	42.6
61.98828	5.8
65.40423	0.8
69.03438	1.5
71.01380	31.0
71.15038	1.2
72.99305	2.0
73.02954	8.6
75.00844	0.7
78.95956	0.7
81.03442	1.2
83.01392	6.7
85.02947	16.8
87.00874	5.1
89.02443	7.5
95.01414	4.0
96.95996	2.4
97.02941	2.5
97.69385	0.6
99.00868	4.0
101.02445	24.0
109.21011	0.7
111.00874	2.6
111.08137	0.7
112.01627	0.9
113.02457	14.3
114.02779	1.0
115.03963	0.7
119.03493	3.5
124.01646	1.2
125.02461	4.0
126.90482	1.3
127.11236	1.0
129.01941	1.6
137.09776	1.5
143.03496	3.2
153.12842	1.2
155.10789	2.7
157.12355	1.2
159.02982	1.7
161.04509	1.5
170.02757	0.7
191.02029	1.2
201.15013	3.6
227.08179	1.5
230.15157	2.0
268.03906	0.9
284.06464	1.1
285.03970	7.9
286.04562	1.3
341.26843	1.8
357.26431	1.1
359.27960	12.6
376.87039	0.8
392.20575	1.2
397.49615	0.7
485.31387	0.8
503.32260	5.0
514.84460	0.8
521.33331	9.4
522.33820	1.8
651.27069	0.6
665.37506	100.0
666.37842	21.4
683.38544	52.5
684.38745	9.0
725.39655	32.2
726.40198	8.0
752.20990	0.8
769.19080	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
57.03445	4.3
58.00581	1.7
59.01379	42.6
61.98828	5.8
65.40423	0.8
69.03438	1.5
71.01380	31.0
71.15038	1.2
72.99305	2.0
73.02954	8.6
75.00844	0.7
78.95956	0.7
81.03442	1.2
83.01392	6.7
85.02947	16.8
87.00874	5.1
89.02443	7.5
95.01414	4.0
96.95996	2.4
97.02941	2.5
97.69385	0.6
99.00868	4.0
101.02445	24.0
109.21011	0.7
111.00874	2.6
111.08137	0.7
112.01627	0.9
113.02457	14.3
114.02779	1.0
115.03963	0.7
119.03493	3.5
124.01646	1.2
125.02461	4.0
126.90482	1.3
127.11236	1.0
129.01941	1.6
137.09776	1.5
143.03496	3.2
153.12842	1.2
155.10789	2.7
157.12355	1.2
159.02982	1.7
161.04509	1.5
170.02757	0.7
191.02029	1.2
201.15013	3.6
227.08179	1.5
230.15157	2.0
268.03906	0.9
284.06464	1.1
285.03970	7.9
286.04562	1.3
341.26843	1.8
357.26431	1.1
359.27960	12.6
376.87039	0.8
392.20575	1.2
397.49615	0.7
485.31387	0.8
503.32260	5.0
514.84460	0.8
521.33331	9.4
522.33820	1.8
651.27069	0.6
665.37506	100.0
666.37842	21.4
683.38544	52.5
684.38745	9.0
725.39655	32.2
726.40198	8.0
752.20990	0.8
769.19080	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	14.9
69.55442	0.3
69.55850	0.2
85.02955	0.2
87.00886	0.3
88.00402	0.7
88.98805	100.0
89.02437	2.0
89.99132	0.8
96.93136	0.1
138.93700	0.1
189.78125	0.1
202.42900	0.1
358.95370	0.1
557.16486	0.1
677.49744	0.8
678.49280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01379	10.0
61.98832	11.9
66.70105	1.1
66.99335	1.2
69.03439	4.0
71.01378	6.2
71.04998	2.7
71.51556	1.0
82.48809	1.0
89.02433	3.3
91.53269	1.2
101.02415	3.3
113.02455	2.2
123.08159	1.1
127.29685	1.3
151.11293	1.3
153.12759	1.4
161.04483	1.3
161.09669	3.6
164.04021	1.1
171.10262	1.6
173.06995	1.0
173.75877	1.1
179.10771	6.3
179.14417	1.8
185.07289	1.1
197.11830	88.0
198.12105	2.9
208.13510	1.2
223.09650	2.0
223.13312	4.3
241.10814	3.6
253.09315	2.7
275.20117	9.6
277.21530	1.3
291.19659	5.5
307.22784	6.3
405.61093	1.3
477.19568	2.4
700.80164	1.1
767.42212	100.0
768.42548	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.2
61.98825	2.9
70.15932	0.7
71.01393	2.3
73.02938	0.9
73.96970	0.5
89.02449	1.7
94.60368	0.5
101.02435	2.6
105.27950	0.5
113.02416	1.0
119.03463	0.6
181.59987	0.6
183.13884	5.1
184.14212	0.7
193.12315	1.5
206.02974	0.5
211.13383	100.0
212.13724	5.4
235.08253	3.4
253.09245	7.6
254.09711	0.6
277.21710	74.0
278.22034	7.1
279.23203	3.3
291.19757	0.6
429.21149	1.0
447.22339	6.8
448.22681	0.9
513.30499	1.8
545.51788	0.7
768.47504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.9
59.01379	9.6
61.98829	11.7
64.88568	0.5
66.07485	0.4
69.03456	3.3
71.01376	8.5
71.05030	2.2
72.38991	0.4
72.99334	0.8
73.02950	2.1
73.03307	0.4
80.02679	1.1
81.03448	1.3
83.01383	0.8
83.05026	4.5
84.02171	1.3
84.38268	0.4
85.02953	2.2
85.06597	0.9
87.00881	1.7
89.02435	5.3
95.01398	1.0
95.05020	1.4
96.26331	0.5
97.02956	1.5
97.06596	1.6
98.20750	1.0
99.00894	0.7
99.04517	1.3
99.08125	1.0
101.02445	6.9
107.05028	0.4
109.02961	0.9
109.06561	1.6
110.03696	0.5
111.00854	0.7
111.04501	0.5
111.08178	1.0
112.05343	0.6
113.02436	3.8
115.07674	1.2
116.92870	1.8
119.03487	1.4
120.22749	0.4
121.02919	0.6
123.04517	0.9
123.08163	0.7
125.02458	0.7
125.09727	4.0
126.57367	0.4
126.90515	0.5
127.07669	2.6
127.08498	0.5
135.08134	2.5
137.06151	0.4
137.09738	0.9
139.07648	1.3
141.09265	1.0
143.03487	1.0
145.05084	0.9
149.09679	0.7
153.09209	15.7
154.09529	0.6
155.10791	1.2
161.04553	2.8
163.11328	3.1
165.12799	2.1
167.10791	3.7
171.10265	19.9
172.10669	0.9
177.12883	1.2
178.09985	2.4
179.05609	1.2
179.10741	2.2
179.14403	3.8
181.12323	1.1
183.13943	0.5
185.11823	7.2
191.10764	1.7
191.14403	1.2
195.13898	12.9
195.15588	0.9
197.11818	7.3
198.12099	0.6
205.12317	12.4
206.12627	0.6
207.10278	1.1
209.11813	41.4
210.12169	2.4
211.13347	0.7
215.48961	0.5
219.13921	0.9
223.13383	100.0
224.13716	6.2
225.11401	1.1
225.14951	0.5
227.12877	1.0
229.59390	0.5
235.08212	5.6
236.10611	1.1
237.11369	0.5
238.12094	1.9
245.19083	2.0
253.09251	12.8
253.14488	0.6
263.20303	0.7
271.15344	0.6
277.18106	1.4
279.19641	0.7
289.18094	13.2
290.18457	1.2
297.20734	0.9
307.19125	62.7
308.19507	5.3
325.20178	25.6
325.24124	0.7
326.20700	2.2
407.19064	1.0
441.21341	0.7
459.22369	12.3
460.22720	1.2
478.24188	0.5
495.31131	0.9
513.32275	1.1
525.27081	5.2
543.28125	17.3
544.28479	2.6
561.29028	3.9
613.32037	0.9
680.34027	3.9
681.34570	0.7
698.34924	0.6
705.38306	1.1
731.40210	1.9
749.41199	14.5
750.41333	3.6
767.41272	7.8
768.41187	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.6
60.36971	0.7
61.94125	0.6
61.98838	4.6
70.85037	1.4
71.01008	1.2
71.01380	11.9
71.01769	0.8
72.99307	1.0
73.02940	2.2
81.03448	0.9
83.01389	1.1
85.02947	4.1
87.00875	2.1
89.02449	10.9
95.01392	1.3
95.05038	0.6
97.02944	2.2
99.00878	1.0
101.02451	8.7
106.47984	0.6
111.08153	0.8
113.02445	3.5
116.92863	3.8
119.03517	3.2
125.02426	4.6
125.06180	0.7
125.09723	0.9
131.61864	0.6
132.54858	0.6
141.12875	0.7
143.03496	1.7
161.04515	2.1
163.11278	3.4
165.12872	4.4
179.05577	2.3
179.14391	2.0
181.12302	2.2
193.15929	1.8
197.11739	0.8
209.11681	1.5
221.06772	0.7
223.13412	2.0
235.08191	3.1
247.20662	6.6
253.09181	1.6
273.18561	1.9
287.07681	1.3
291.19647	64.2
292.20023	7.3
305.08472	0.8
309.20697	100.0
310.21088	11.8
397.13489	32.4
398.13867	2.8
415.14560	29.1
416.14981	2.3
505.33676	1.0
689.34229	1.9
787.32910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01108	1.3
59.01377	15.1
61.98832	25.1
69.03457	1.1
70.81955	0.8
70.82278	1.0
71.01378	12.9
72.99290	1.6
73.02944	2.4
75.71373	0.7
85.02952	4.7
87.00879	1.5
89.02456	11.6
95.01372	1.1
97.02926	1.5
101.02445	8.6
111.08154	2.3
113.02473	4.5
116.92860	5.5
117.92893	1.1
118.92721	1.1
119.03501	3.4
124.85767	0.9
125.02460	3.1
125.09873	0.9
143.03510	1.3
161.04533	1.1
163.11273	3.1
165.12833	3.5
179.05559	2.1
197.11812	10.8
199.13210	1.0
207.10457	1.1
211.13364	1.8
223.13414	1.7
235.08261	2.4
247.14735	0.7
247.20654	3.3
247.75313	0.8
253.09180	0.9
263.20276	1.0
291.19669	50.0
292.20062	5.6
309.20700	100.0
310.21069	11.3
339.85733	0.9
397.13516	31.4
398.13773	2.6
415.14581	30.6
416.14713	2.6
689.33136	2.0
707.34528	1.5
749.80200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.8
59.01374	12.1
59.72300	1.2
61.98836	6.1
62.73436	1.1
69.03455	3.6
71.01372	9.4
71.52075	1.3
73.02936	3.3
77.13918	1.3
81.03445	3.5
83.01374	2.3
83.05055	6.9
85.02930	3.1
87.00866	2.5
87.15022	1.2
88.98808	6.6
89.02431	5.0
95.05029	3.0
97.02948	1.5
97.06565	2.1
97.11424	1.2
97.42085	1.3
99.00845	2.1
101.02449	5.2
107.05026	8.1
109.06573	3.8
113.02450	4.5
116.92840	3.1
119.94747	1.5
121.02936	2.4
123.08146	2.4
125.02460	2.1
125.06080	3.4
125.09733	7.0
135.08147	4.1
141.09154	1.4
153.09201	9.5
161.04535	2.2
163.11249	6.5
165.12808	2.9
167.10719	3.3
173.48108	1.3
176.08405	3.4
179.05650	1.8
179.10754	2.6
179.14398	5.8
181.12225	1.9
185.11803	3.6
191.10712	4.2
192.11566	1.2
195.13902	16.1
197.11819	14.0
204.99777	1.5
205.12323	11.0
207.10217	10.8
209.11813	85.6
210.12122	4.4
217.12158	1.6
223.13383	100.0
224.13716	6.8
225.11227	4.5
231.12999	1.6
235.08237	4.9
236.10521	2.5
237.11256	3.1
243.17526	2.4
243.46765	1.4
253.09270	11.4
261.18604	4.3
277.17981	5.0
279.19647	1.9
287.16577	12.0
291.19473	1.5
305.17603	68.7
306.17938	7.9
309.20697	1.5
323.18600	10.9
459.22327	9.2
467.77258	1.6
487.21106	1.8
523.25336	4.6
541.26459	21.6
542.27039	3.7
559.27448	2.3
562.95013	1.4
651.33258	2.3
667.33118	6.1
687.53589	1.5
703.25256	1.4
703.37469	1.7
729.38654	3.8
747.39551	40.1
748.39966	11.8
765.41162	10.0
766.41266	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	765.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
58.00605	1.4
59.01380	36.7
61.98812	5.2
64.70325	0.8
64.70734	1.0
67.30943	0.8
69.03433	1.7
71.01380	23.9
72.99303	2.3
73.02933	4.8
83.01378	2.2
85.02954	7.3
87.00874	5.8
89.02444	19.8
97.02950	3.8
99.00881	1.2
101.02442	19.1
113.02467	9.0
116.92872	1.9
119.03516	6.7
125.02447	6.9
125.09738	1.3
142.27252	0.9
143.03442	3.1
161.04538	3.0
179.05603	4.4
195.13826	1.8
217.07040	1.3
221.06508	1.5
231.21207	2.4
235.08221	10.4
253.09250	3.3
263.07645	1.1
275.20145	38.9
276.20441	4.5
287.07675	2.3
305.08847	4.5
307.22781	18.7
308.22974	2.1
323.09714	1.7
397.13483	100.0
398.13843	7.1
415.14554	33.1
416.15018	2.7
564.25751	1.0
673.34198	2.5
684.58588	1.3
765.39777	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	765.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42353	0.7
55.01886	0.9
57.03432	2.0
58.00589	1.3
59.01380	32.3
61.98834	7.0
69.03455	1.4
69.92728	0.8
71.01383	26.3
72.99308	1.7
73.02944	4.5
75.00877	1.0
77.04887	0.9
83.01395	2.7
83.05015	1.4
85.02944	5.6
87.00408	0.8
87.00860	4.7
89.02446	19.8
95.01385	2.4
97.02945	3.7
99.00873	1.5
101.02445	19.9
105.47012	0.8
113.02451	9.5
115.03973	0.8
116.92922	0.8
119.03468	5.9
121.02993	0.9
125.02441	7.9
126.90454	1.3
130.40292	0.8
143.03490	3.6
161.04576	4.1
169.04974	0.9
171.10281	1.1
177.12773	1.3
179.05629	4.1
179.14459	4.4
195.13760	1.2
197.11835	6.7
205.12361	0.9
205.15927	2.9
209.11681	1.8
221.06627	0.9
223.13373	5.6
231.21135	3.1
235.08228	8.9
253.09206	2.8
263.07645	1.2
275.17850	0.8
275.20142	20.1
276.20554	2.0
287.07690	3.3
305.08838	4.3
305.17505	1.9
307.22778	57.9
308.23129	7.4
323.09903	1.4
394.61179	0.9
397.13483	100.0
398.13879	9.9
415.14539	35.6
416.14752	2.8
501.23611	0.8
514.85132	0.9
705.36804	3.2
706.37592	1.1
728.38641	0.9
765.36755	7.8
766.38080	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	765.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
60.99305	16.6
61.98830	1.4
66.82915	0.2
71.01378	0.2
78.38885	0.2
84.14742	0.2
87.00861	0.6
88.00394	1.9
88.98804	100.0
89.02441	6.7
89.99124	0.8
95.48044	0.2
98.20284	1.1
116.92883	0.2
117.40202	0.2
124.36801	0.2
130.07793	0.2
132.38884	0.2
204.21066	0.2
223.13408	0.3
277.21725	0.2
323.18881	0.2
365.98474	0.2
397.13635	0.6
416.89914	0.2
724.12122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
58.00598	1.5
59.01379	30.2
61.98829	12.9
62.94195	0.7
69.03455	2.3
70.52327	2.1
71.01385	24.6
72.99312	2.4
73.02946	3.4
74.95062	0.6
81.03432	0.9
83.01385	2.7
84.86703	0.6
85.02955	7.1
87.00873	5.5
89.02441	21.3
95.01395	1.8
97.02950	4.4
99.00896	1.9
101.02439	17.4
111.04488	1.0
113.02450	9.0
116.92853	0.9
119.03500	5.1
125.02446	8.9
126.90501	1.2
131.03455	1.6
133.05116	0.6
137.34230	0.7
141.01959	1.1
143.03497	3.3
161.04561	5.4
177.12833	1.3
179.05627	4.2
179.14438	4.8
195.13930	0.8
205.15906	3.4
221.06627	1.5
223.13422	4.3
231.21204	2.0
235.08194	9.8
253.09422	1.7
275.20132	23.1
276.20694	1.5
287.07758	3.5
305.08881	4.0
307.22787	61.7
308.23215	6.3
323.09869	1.3
379.12631	0.9
397.13489	100.0
398.13803	9.7
415.14536	37.1
416.14944	3.9
594.81250	0.8
705.37067	2.6
706.37610	0.9
736.37439	0.7
765.38940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03447	80.2
58.03795	1.0
59.01379	58.0
64.38759	0.8
69.25900	5.2
69.26328	2.2
71.01377	15.0
73.02557	0.8
73.02917	4.3
75.00872	1.0
81.03453	1.5
83.01396	2.9
85.02950	22.7
89.02438	2.9
95.01407	1.5
97.46363	0.8
99.00875	2.6
99.04518	73.6
100.04845	2.2
101.02437	25.0
111.00890	2.6
113.02448	6.1
121.02956	2.3
123.04562	1.0
125.02445	24.4
126.02762	1.4
129.01932	8.1
135.04521	20.8
136.04831	2.2
142.26370	1.0
143.03493	3.9
147.03000	1.3
150.03200	1.6
151.03984	1.7
153.05583	1.2
159.03011	1.5
161.04558	8.1
165.05563	1.7
170.79958	0.8
173.00885	3.1
191.01967	2.4
197.04665	4.8
201.77336	0.8
209.03040	1.7
235.11855	25.1
236.12111	1.5
253.72745	0.9
277.12869	14.2
278.13293	1.4
285.08722	1.1
297.09793	9.4
298.10144	1.4
317.16052	5.7
327.07333	1.1
335.17010	2.2
341.08823	2.0
363.16705	1.9
371.05981	1.6
379.16058	100.0
380.16449	9.3
523.13837	1.3
622.10876	0.9
784.40710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24553	0.3
55.02095	0.2
59.01384	0.7
60.99308	17.7
61.98838	1.1
71.01395	0.6
80.76646	0.2
87.00888	0.6
88.00408	1.8
88.98805	100.0
89.02441	7.7
89.03010	0.3
89.99137	0.9
101.02455	0.6
107.05053	0.3
108.00117	0.2
109.06575	0.2
113.02431	0.3
125.09715	0.3
153.09238	0.5
161.04601	0.2
163.11317	0.5
179.14374	0.3
191.10727	0.3
195.13882	1.0
197.11803	0.9
205.12325	0.9
207.10268	0.4
209.11810	3.5
209.91209	0.2
210.12326	0.2
223.13376	7.0
224.13681	0.3
235.08189	0.3
253.09218	0.8
261.18585	0.2
277.21884	0.3
287.16492	0.8
305.17621	3.1
305.20929	0.4
306.17850	0.3
323.18558	0.5
397.13730	0.5
459.22220	0.6
523.25696	0.3
541.26294	0.9
543.53870	0.2
667.33588	0.4
747.39459	2.3
748.39600	0.6
765.40417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30216	5.0
53.80224	4.2
56.05651	4.8
58.93632	4.5
61.98835	66.4
65.96002	5.9
66.95843	4.5
69.78780	26.2
74.02261	4.7
80.02731	5.1
82.46806	5.9
109.68459	6.4
119.67773	5.3
133.89964	5.3
159.10181	5.8
171.10194	5.5
172.28200	5.5
197.10046	6.2
197.11827	100.0
215.29185	5.0
221.88019	5.8
235.08145	6.4
253.09261	9.4
291.19751	29.0
309.20804	46.9
328.39728	4.8
384.97864	5.5
433.20706	10.8
639.96613	5.7
761.38678	48.3
762.39154	13.7
765.21655	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	765.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
57.03447	15.1
58.23684	0.4
59.01372	1.4
67.01884	0.7
68.99813	0.6
69.37586	2.9
71.01376	3.5
72.99293	0.6
73.02935	0.7
75.00858	3.2
83.01381	4.9
84.02147	1.2
85.02949	100.0
86.03271	2.0
87.00878	0.7
89.00335	0.8
91.01894	0.5
93.03465	0.6
95.01402	0.5
96.96015	1.4
101.02447	1.1
106.00590	1.1
111.00878	10.4
112.01169	0.4
121.02959	15.7
122.03792	1.0
123.00892	3.5
127.00412	0.5
129.01945	60.2
130.02275	1.6
136.98788	0.4
137.02446	0.8
137.99586	0.4
138.03241	2.3
139.00389	1.4
139.03972	0.5
145.01433	0.6
147.02991	5.4
149.02431	2.8
150.03227	12.4
151.03882	0.8
153.01906	0.6
153.05577	11.0
154.99898	0.7
164.04805	0.6
165.05568	11.2
166.99870	2.4
173.00912	16.8
174.01273	0.3
180.04280	0.8
181.01422	0.8
182.02219	6.8
183.02681	0.4
191.01974	4.3
195.06636	5.3
196.03769	0.8
197.04552	37.6
198.04921	1.6
209.02919	0.5
211.06087	0.5
222.05350	1.0
233.31622	0.4
237.07651	1.5
239.05608	0.7
250.04738	0.4
265.07159	6.7
266.07608	0.5
309.06161	0.4
327.07230	6.0
328.07669	0.5
345.09854	0.5
371.06177	8.1
372.06567	0.5
393.11853	3.9
394.12247	0.5
396.09988	0.4
461.14740	0.6
506.84872	0.4
519.14655	0.4
523.14496	8.3
523.21570	0.6
524.14929	0.9
567.13654	1.2
585.14990	1.1
765.19360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
59.01366	8.8
61.98833	7.4
64.88537	1.4
71.01374	5.9
71.52769	1.8
73.79543	1.2
80.97678	1.3
85.02954	13.4
85.66274	1.2
88.23263	1.2
88.98793	3.1
89.02449	5.4
96.96019	4.9
97.46727	1.2
101.02454	4.5
111.00906	1.3
113.02463	2.7
116.92846	2.3
119.03558	2.5
119.35474	1.4
120.45242	1.5
121.02912	1.2
125.02459	1.5
126.90492	1.9
129.01942	2.2
130.56775	1.5
135.04530	2.2
161.04617	2.3
171.10283	9.7
179.05602	2.5
191.01974	3.8
209.02942	2.7
211.13351	7.1
219.00473	1.3
221.11874	1.7
229.14471	3.9
232.94206	1.2
327.21759	100.0
328.22021	8.7
397.13550	2.3
398.57053	1.3
415.14572	36.4
416.14871	2.8
555.27740	1.7
647.42902	1.5
725.35999	47.6
726.35968	9.6
761.33673	36.7
762.33728	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	761.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03449	7.7
59.01374	2.6
68.99822	0.4
69.52283	1.6
71.01378	1.3
72.99303	0.4
75.00902	0.4
80.12453	0.2
83.01380	1.2
84.02175	1.9
85.02946	71.8
86.03265	2.0
96.95987	0.4
99.00925	0.3
103.00373	1.1
111.00851	0.8
117.03458	4.4
119.05030	1.5
129.01947	1.4
138.98341	0.3
145.02950	18.2
146.03290	0.7
147.02986	12.6
148.03381	0.3
148.49461	0.2
155.35574	0.3
161.02487	0.4
163.04028	1.1
173.00966	1.3
176.70015	0.3
191.01961	100.0
192.02319	3.0
209.03015	1.1
275.09378	0.5
293.06647	3.3
294.06900	0.3
335.31674	0.3
337.05588	8.7
337.60571	0.3
338.05984	0.7
375.03207	0.4
415.71970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.99382	0.4
56.09090	0.4
57.03445	10.6
59.01375	4.9
68.99804	0.8
70.35969	1.4
71.01384	4.5
72.99312	2.2
73.02950	0.7
75.00891	1.3
83.01373	1.9
84.02174	2.5
85.02950	100.0
86.03293	3.4
87.00878	1.0
88.58994	0.5
89.02444	1.2
91.54072	0.4
99.00901	0.6
101.02470	1.1
103.00389	1.8
111.00876	3.9
112.01225	0.5
115.00430	0.7
121.02967	1.7
129.01941	9.6
133.01414	2.0
135.04468	0.8
147.02997	13.6
148.03297	0.6
153.05586	1.0
173.00902	2.7
191.01981	41.5
192.02278	1.9
193.02376	0.6
197.04559	2.0
209.03027	46.7
210.03333	2.2
211.03539	0.6
371.06213	5.5
389.07236	32.0
390.07697	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	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	34.4
66.00189	1.5
76.43353	1.5
104.63367	1.7
120.22728	1.4
135.50481	1.5
140.88615	1.6
179.05580	2.3
209.11813	100.0
210.12192	4.9
227.12843	22.0
235.08281	2.9
253.09267	9.3
253.50198	1.6
277.21707	60.3
278.22043	5.9
445.20706	7.5
759.41144	24.9
760.41522	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	759.409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	44.0
65.58447	2.3
69.22294	24.1
78.95869	4.0
83.74615	2.4
92.66469	2.3
98.20653	5.4
101.02460	2.3
109.32439	2.6
171.10277	2.5
209.11832	66.9
209.13783	4.4
210.12332	2.6
215.24353	2.5
227.12897	16.2
228.13333	3.0
235.08168	12.5
253.09232	9.0
277.21719	100.0
278.22061	9.7
395.84152	2.8
513.30780	3.8
735.51849	2.8
759.40802	31.7
760.41315	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	759.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03449	12.0
59.01372	6.5
68.99824	1.3
71.01381	7.7
72.99311	2.0
73.02953	0.6
75.00880	1.8
77.29872	0.4
83.01371	2.2
84.02161	2.9
85.02952	100.0
86.03294	2.6
87.00883	1.0
87.03336	0.4
89.02464	2.5
99.00936	0.4
101.02438	1.3
103.00365	1.6
105.03449	0.7
109.02932	0.6
111.00882	5.8
115.00349	1.0
121.02963	0.8
122.03775	0.6
123.04539	5.0
127.26001	0.4
129.01953	8.5
133.01437	3.0
133.02919	2.6
135.04526	0.8
147.03001	16.1
148.03403	0.6
149.02499	0.6
151.04034	1.3
173.00874	2.5
177.01964	0.9
179.03400	0.6
191.01976	59.6
192.02336	2.6
194.02184	0.7
195.02922	2.2
205.03404	0.5
209.03021	87.0
210.03342	4.3
211.03539	2.3
223.04605	1.2
258.05548	0.4
306.81400	0.4
369.04669	1.0
370.05606	0.5
371.06241	3.0
387.05640	13.8
387.10373	0.9
388.06036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87837	0.7
57.03447	4.1
57.51788	0.7
59.01376	8.6
61.98831	5.8
63.82400	0.8
69.03429	0.9
71.01377	5.2
73.02926	1.4
75.00851	1.7
78.95942	0.7
79.20003	0.7
81.03468	0.7
83.05016	0.9
85.02960	4.6
87.00845	1.4
88.98789	1.2
89.02449	3.9
95.05009	1.1
97.06555	1.8
99.00943	0.8
101.02443	4.8
112.99105	0.8
113.02451	1.3
116.92870	1.2
123.04523	1.3
123.08134	1.4
124.08546	0.7
125.09701	3.5
126.90461	0.9
136.38704	0.8
137.09775	0.9
139.11292	2.6
141.12825	1.7
143.03479	0.9
161.04564	2.5
163.11290	2.8
165.12871	3.7
167.10765	4.7
169.12321	2.0
171.10226	8.6
179.05847	0.9
179.14360	2.1
181.12297	0.9
183.13858	1.2
185.11826	74.6
186.12206	3.7
191.02013	1.0
197.11803	3.8
197.72070	0.9
201.11333	2.0
209.11832	2.4
211.09802	1.1
211.13377	24.6
212.13655	1.7
223.13310	1.4
229.10793	1.4
229.14380	1.4
235.08130	3.7
247.20685	3.0
253.09296	8.9
291.19662	24.5
291.68442	0.8
292.19958	2.7
301.03452	1.2
307.19205	0.9
309.20682	18.7
310.21155	1.7
327.21799	13.1
328.22009	1.2
447.22232	2.0
465.19778	1.8
757.40155	100.0
758.40509	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	757.4009
Annotation	Unguisin A
Peak:m/z	Relative Intensity
56.73298	1.1
57.03453	2.2
57.72592	1.1
59.01377	9.9
61.98837	9.0
71.00768	2.4
71.01371	8.3
73.02934	2.6
83.01389	1.5
83.05016	3.0
85.02935	4.4
85.87307	1.0
87.00887	2.4
89.02451	4.0
93.48569	1.1
95.05033	2.1
97.02956	2.0
97.06579	4.7
97.25418	1.1
101.02470	5.6
108.60447	1.2
113.02428	3.8
116.92868	1.6
123.08117	1.8
125.09708	2.5
126.90503	1.8
127.07654	3.1
149.09677	1.4
151.11292	15.5
153.09178	4.7
155.10733	1.5
161.04539	1.7
163.11296	1.3
167.10811	1.6
169.12341	72.6
170.12672	4.0
171.10237	7.1
180.87509	1.2
185.11795	7.4
195.10181	2.1
197.11801	7.0
209.11824	23.7
210.11934	1.4
211.13425	7.8
213.11327	11.2
235.08185	1.4
253.09227	4.7
289.18060	4.0
300.75244	1.2
307.19128	13.4
308.19394	2.2
309.20334	1.7
325.20123	5.0
327.21695	4.3
431.19287	2.6
435.80774	1.2
449.20129	5.8
543.27924	3.3
621.69128	1.3
721.37286	1.6
739.39008	12.3
740.39166	3.4
757.40070	100.0
758.40625	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	757.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01376	10.7
61.98834	7.3
69.21573	11.2
71.01388	9.0
83.01405	1.2
83.05011	1.3
85.02937	4.8
87.00877	3.3
89.02451	9.0
96.96001	2.9
97.02928	2.3
101.02459	7.4
102.98615	1.1
109.06664	1.3
113.02413	4.4
116.92869	6.0
119.03500	3.0
125.02419	3.9
125.09705	3.6
126.90505	4.6
135.04515	1.7
135.08134	1.9
143.03473	1.9
153.09244	3.4
161.04582	1.4
163.11279	3.2
178.10001	1.4
179.05548	2.7
185.11839	1.2
191.01875	1.8
191.10767	1.8
197.11858	8.1
207.10281	3.7
209.03020	1.4
209.11816	44.7
210.12238	2.6
225.11285	3.5
235.08052	1.8
237.92560	1.3
261.18594	3.7
277.17999	3.6
287.16498	4.5
295.19107	2.7
305.17578	54.8
306.17816	4.2
307.19083	1.6
323.18607	19.7
324.18927	2.4
397.13553	24.3
398.13910	3.2
415.14542	15.7
427.14832	1.3
427.64584	1.3
471.22128	1.2
486.02386	1.2
579.42847	1.4
623.25616	8.3
624.26349	1.6
652.25580	6.6
653.26428	1.6
703.31793	100.0
704.32239	26.6
713.19250	1.5
721.32990	25.2
722.33588	7.4
757.30505	23.5
758.30603	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	757.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.0
61.98836	12.0
71.01385	20.1
71.52889	2.8
83.01365	4.1
83.05075	2.0
85.02953	8.4
86.42223	2.0
87.00884	10.8
89.02458	9.7
91.95830	1.8
96.96013	8.1
96.97027	2.0
99.00880	2.4
101.02436	8.1
111.00901	4.0
113.02445	4.3
115.00394	17.4
116.92839	7.1
119.03498	4.4
125.02418	4.6
125.06045	2.0
125.09735	2.9
126.90482	5.4
139.00333	2.5
153.09178	3.8
157.01430	2.1
159.25311	1.7
163.11304	2.7
175.02435	23.9
181.42065	1.8
197.11790	8.7
207.10262	3.2
209.11838	32.7
217.32187	1.8
225.11420	2.7
235.08231	2.4
238.11040	3.6
241.14357	2.8
242.14865	1.9
253.13510	8.5
257.12961	3.9
277.18115	2.9
287.16443	3.8
293.10623	5.4
295.19299	2.4
302.16376	1.7
305.17578	45.7
305.20871	3.7
306.17804	4.9
323.18518	17.4
397.13538	23.3
398.13681	3.2
415.14700	20.1
416.14862	2.0
436.18698	3.3
501.48868	2.4
506.65363	2.0
581.24030	5.7
611.24237	2.9
623.25488	7.4
639.24402	10.4
640.25098	2.8
652.25861	6.1
667.25720	2.2
697.25049	2.9
703.31842	100.0
704.32239	21.9
721.32794	24.7
722.32947	7.5
757.30365	25.9
758.31720	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	756.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34018	0.1
59.01373	0.1
61.98831	100.0
62.98539	0.2
66.20400	0.1
70.91753	0.2
85.82119	0.1
111.63621	0.1
120.46431	0.1
132.37640	0.1
176.17715	0.1
197.11853	0.3
198.12276	0.2
277.21753	0.2
278.22318	0.1
279.23373	0.1
291.03391	0.1
304.62799	0.1
532.60345	0.1
757.39484	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
58.00588	3.9
58.69379	2.1
59.01381	34.2
61.98825	21.5
65.06220	2.1
71.01384	64.3
71.51740	3.5
71.52106	2.6
73.02947	4.0
78.95932	4.9
80.21383	2.4
83.01399	3.7
83.05032	4.1
85.02949	8.0
87.00911	2.9
89.02448	8.8
92.01844	2.1
95.05006	3.8
97.02946	5.6
101.02403	11.9
102.80619	2.3
109.06568	11.5
111.08131	2.5
113.02430	9.4
119.03439	2.7
125.09734	5.9
127.07693	3.5
135.08148	3.1
152.26469	2.4
152.90422	2.5
153.09204	9.2
155.10799	2.9
161.04526	7.5
163.11308	11.3
165.12837	10.1
167.10722	3.6
169.12381	3.3
171.10257	33.2
172.10483	3.2
179.14391	2.6
181.12361	9.1
183.13846	17.3
185.11798	6.3
191.10733	3.0
191.14389	2.7
195.13858	5.8
197.11736	4.8
199.13380	40.5
200.13712	3.8
201.11397	11.2
207.10254	30.7
209.11835	44.5
211.13393	87.9
212.13757	6.6
223.13377	5.3
225.11287	23.9
227.12878	100.0
228.13144	5.7
229.14441	3.7
235.08267	11.5
237.74158	2.4
247.20673	5.3
247.97200	2.7
253.09297	35.9
275.20178	4.7
289.18118	7.4
291.19666	73.6
292.20044	8.7
293.21255	50.4
294.21475	4.3
307.19086	33.2
308.19467	4.6
309.20706	79.5
310.20935	8.1
325.20316	12.5
355.59787	2.6
359.54541	3.1
447.22305	4.4
449.79272	2.8
461.20117	6.4
463.21826	18.1
483.31311	2.7
496.48541	2.8
501.32254	4.7
543.27991	2.9
634.49615	2.8
668.34131	5.3
719.39557	8.1
720.40216	3.2
737.41321	21.3
738.41205	8.2
755.42084	31.5
756.42444	5.8
770.83374	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01381	3.7
61.98822	1.4
62.32869	0.2
69.03445	0.4
71.01387	3.7
71.05022	0.3
71.52510	0.4
72.99333	0.3
73.02949	0.8
80.02679	1.1
81.03461	1.2
83.01359	0.4
83.05029	4.8
84.02180	0.9
85.02949	1.5
87.00855	0.8
89.02435	1.9
95.01396	0.5
95.05018	1.2
97.02943	0.6
97.06612	0.4
100.08360	0.3
101.02444	3.2
109.06602	0.5
111.08150	0.5
113.02448	1.5
116.92890	1.7
119.03514	0.5
125.06051	0.9
125.09750	1.2
135.08147	0.6
141.12825	0.4
141.21037	0.3
143.03575	0.3
145.05106	0.5
153.12851	0.5
161.04572	1.5
161.09663	0.3
163.11285	5.2
165.12857	5.6
171.10231	2.8
175.11232	0.3
177.12840	0.6
179.05534	0.5
179.14404	1.0
181.12389	1.7
185.11778	0.6
191.10757	0.8
192.00223	0.2
193.15973	1.0
197.11844	0.6
207.10336	0.4
209.11819	100.0
210.12166	5.9
211.13403	1.1
213.11169	0.3
223.13432	1.2
225.11310	0.4
227.12881	12.4
228.13229	0.8
235.08261	2.9
236.08479	0.3
247.20653	4.0
247.23090	0.3
248.20996	0.4
253.09290	10.6
254.09720	0.6
273.18600	1.2
291.19656	47.1
292.20013	4.8
293.21097	0.3
305.17538	0.3
309.20694	58.4
310.21069	5.9
311.20181	0.9
329.21240	2.4
347.22162	1.8
434.48630	0.3
445.20688	0.8
446.21594	0.3
501.32523	0.3
527.28595	0.7
565.29889	0.4
583.31506	0.6
719.40222	0.6
737.41138	1.6
738.41486	0.4
755.39862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34946	12.5
61.98829	100.0
70.57586	31.1
78.95914	16.7
119.76261	9.8
136.64087	11.7
147.27539	11.7
221.09494	11.1
223.13486	26.7
277.21689	25.3
753.57605	11.7
755.40747	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40253	0.7
57.03432	1.4
59.01373	6.8
61.98530	1.1
61.98832	10.7
71.01385	5.3
71.05029	1.7
71.52148	1.2
78.95901	2.8
83.05019	0.8
85.02953	1.8
87.00881	1.0
89.02425	2.3
94.67095	0.8
95.01370	1.1
95.05027	0.8
97.02950	3.2
97.06578	1.0
99.00873	10.1
101.02470	3.9
109.06535	1.1
113.02474	1.8
125.02448	0.9
125.09727	4.3
142.02632	0.8
151.69995	0.8
163.11299	6.0
181.12340	12.1
185.11905	1.0
195.13907	2.7
197.11815	3.2
199.13387	21.0
200.13693	1.0
207.10246	23.9
208.10542	1.5
208.22919	0.8
209.11838	4.9
223.13307	2.6
225.11307	46.1
226.11626	3.3
227.12787	2.1
243.12350	12.7
253.09236	2.4
275.20169	1.7
291.19559	1.5
293.21222	13.8
294.21494	1.1
309.20667	1.6
399.57016	0.9
461.20258	7.1
462.20676	1.0
479.21335	1.8
523.40063	0.9
737.40710	5.1
755.42188	100.0
756.42462	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	755.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
57.03440	3.9
59.01379	55.4
61.98827	12.2
69.03448	1.8
69.57210	1.5
70.13863	3.8
70.14256	2.8
71.01377	39.2
72.99290	1.9
73.02958	11.4
74.78266	1.6
75.00887	1.8
76.12958	1.4
77.56768	1.5
78.95905	2.4
83.01386	11.5
84.40425	1.6
85.02945	30.0
87.00883	4.7
88.98811	3.1
89.02441	6.5
95.01352	3.7
97.02947	2.4
98.27972	1.5
99.00884	2.7
101.02457	23.3
103.65125	1.9
111.00874	3.0
112.01643	1.6
113.02449	17.0
116.92845	10.2
119.03529	3.5
125.02463	6.4
126.90501	2.6
129.01906	1.8
143.03488	2.4
159.02995	3.6
161.04538	2.4
191.01994	5.2
205.05116	2.7
209.02975	4.5
213.12616	1.7
244.88570	2.0
299.25836	3.0
345.30017	8.2
412.71304	2.2
465.56766	1.7
478.63904	1.7
489.34177	5.1
507.35483	9.2
508.35437	2.1
549.99097	1.8
651.39551	100.0
652.39966	19.6
669.40607	62.2
670.40503	10.7
711.41718	30.5
712.41901	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	755.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48277	3.0
59.01381	95.8
61.98836	28.8
69.28123	26.3
69.49022	3.1
71.01388	67.7
72.99318	4.8
73.02947	14.2
74.49289	3.1
78.95893	3.6
81.03408	3.5
83.01389	18.9
85.02953	36.1
87.00882	5.1
89.02443	34.6
89.50510	3.4
95.01391	5.5
96.96004	23.6
97.02971	8.4
99.00885	8.8
101.02446	53.6
111.00884	4.7
113.02439	23.4
116.92876	13.4
118.50471	3.3
119.03539	8.8
120.43317	3.6
125.02462	9.6
125.09711	13.6
126.90545	7.6
137.09676	3.1
143.03474	7.6
150.09808	3.6
161.04591	11.0
163.14063	3.5
178.57190	3.5
179.05606	7.1
191.10774	6.4
209.03273	3.1
209.11737	16.7
211.13290	4.6
221.06723	3.3
226.12065	6.9
235.08322	9.0
239.82869	4.6
241.14470	69.5
242.14867	6.3
289.17847	4.3
321.20724	16.0
337.16837	3.7
345.30179	7.4
363.46729	3.7
397.13452	31.4
415.14490	31.6
416.15146	5.1
507.35263	9.7
651.39514	100.0
652.39990	23.4
669.40698	69.5
670.40930	14.7
704.22150	5.0
711.41901	36.9
712.41638	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	755.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03452	10.8
59.01376	6.1
60.85707	0.7
68.99809	0.8
70.52411	1.0
70.52740	1.5
71.01379	9.2
72.99309	2.3
75.00874	2.8
83.01396	6.5
83.84012	0.7
84.02171	1.9
84.34959	0.7
85.02949	100.0
86.03287	3.3
87.00886	1.6
89.02441	2.1
94.98116	0.7
95.25644	0.7
96.96003	1.7
98.20689	0.7
99.00871	1.1
103.00372	2.2
107.01411	0.9
111.00890	4.5
115.00401	1.3
119.05025	10.5
119.25694	0.6
129.01955	8.1
129.45067	0.7
132.96396	0.8
133.01408	1.9
133.02927	0.9
143.03496	3.2
145.02940	2.2
147.02968	7.1
151.00346	2.5
158.34602	0.7
163.02757	1.1
163.04012	12.9
164.04405	0.8
173.00891	7.1
176.56932	0.8
191.01971	51.6
192.02312	2.2
193.05103	0.8
205.03435	1.6
209.02969	5.4
223.04575	94.0
224.04913	3.1
226.02594	1.1
231.06467	0.8
243.02948	5.3
254.02325	0.7
255.00539	1.0
255.02986	10.5
256.00009	0.7
256.02921	0.8
271.02457	24.9
272.02863	3.0
300.02737	41.3
301.03265	6.6
337.05603	8.4
353.06598	1.6
369.08240	21.3
370.08466	2.2
374.88040	0.8
545.02234	0.8
755.20355	25.8
756.21008	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	755.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
57.03450	11.4
58.10423	1.0
59.01377	8.9
68.99822	1.7
71.01378	12.7
71.51876	1.4
72.99303	3.6
73.02948	1.7
75.00878	3.1
83.01389	18.1
84.02165	3.4
85.02950	100.0
86.03277	3.2
87.00857	3.3
89.02448	2.0
96.96011	1.8
99.00882	3.5
101.02469	1.2
108.18590	1.3
111.00875	13.4
115.00378	1.9
119.05025	53.7
129.01945	23.0
133.01428	1.5
133.02951	3.0
135.04509	3.9
143.02490	1.3
143.03517	7.6
145.02934	4.1
145.39023	1.0
147.03018	8.5
161.02441	4.5
163.04004	81.9
164.04320	3.3
173.00909	21.8
179.03392	1.4
191.01964	50.5
192.02296	1.6
195.03014	1.2
205.03496	2.9
209.02945	8.0
223.04579	75.2
224.04958	2.7
241.73265	1.1
244.31818	1.1
293.06860	1.5
337.05646	24.7
339.05151	1.6
351.03439	1.3
353.06085	4.1
357.09756	1.5
369.03958	2.2
369.08243	28.5
369.12827	1.4
370.08630	3.2
375.03519	1.7
545.08905	1.3
623.89026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03449	3.3
58.11289	0.7
59.01381	2.7
63.02416	0.7
65.00303	0.7
71.01383	2.5
71.51096	1.1
83.01369	2.2
85.02949	30.1
89.02476	0.5
92.65021	0.5
95.48593	0.6
96.96008	2.1
103.57151	0.6
107.01414	1.5
108.02175	1.8
109.04813	0.5
111.00879	1.8
119.05021	2.7
121.02943	1.5
125.02439	0.6
129.01901	3.4
133.01526	0.8
135.00966	0.9
143.03462	0.9
145.02963	1.5
147.03011	2.3
148.01683	1.2
151.00378	4.5
161.02495	0.9
163.00372	0.7
163.04019	3.1
173.00914	2.1
178.99876	3.5
191.01965	17.6
209.02994	4.5
215.03584	0.7
216.04231	0.6
223.04565	21.9
226.02650	1.9
227.03505	1.9
231.06721	0.7
243.02951	11.0
244.03522	0.6
254.02158	2.6
255.02956	25.7
256.03204	1.4
271.02457	58.0
272.02893	5.2
299.01990	2.9
300.02728	100.0
301.03201	13.2
302.03702	0.7
325.03204	0.7
337.05771	3.1
339.04926	1.0
353.06546	1.5
369.08267	4.9
519.11243	0.6
685.30695	0.6
755.20361	66.0
756.20789	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	755.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03448	8.9
59.01376	3.7
66.64658	0.5
67.01862	0.5
68.99828	0.8
69.75797	1.6
71.01379	5.4
72.99301	1.7
73.02946	1.4
75.00883	2.3
78.73013	0.5
83.01385	5.0
84.02178	1.5
85.02950	65.3
86.03271	1.0
87.00878	1.4
89.02430	0.7
93.80960	0.4
98.20566	0.6
99.00864	0.8
101.02441	4.6
103.00378	0.9
103.04015	0.7
107.20080	0.4
109.11061	0.4
111.00881	19.0
119.05040	3.2
129.01945	17.9
130.02298	0.6
133.01445	0.5
135.04529	1.0
143.03500	1.0
145.02954	2.6
147.02983	6.0
161.02467	0.9
161.04536	1.5
163.04010	4.2
173.00890	2.5
179.03410	0.6
187.02455	1.9
191.01968	12.8
192.02643	0.5
205.03522	27.2
206.03824	0.9
209.02998	5.9
211.07669	0.4
223.04581	100.0
224.04947	4.0
239.07152	0.6
251.07069	0.5
293.06583	1.4
295.06070	0.6
323.13461	0.8
325.09308	0.6
337.05603	2.1
339.05084	7.8
340.05417	0.8
353.05594	1.2
369.08224	18.6
370.08655	2.1
385.07620	1.1
513.06763	0.5
531.07953	1.6
545.09625	1.2
593.89355	0.5
696.25714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03448	10.5
58.00585	0.6
59.01379	5.7
67.01892	0.5
68.99821	1.3
69.90087	1.9
71.01389	7.1
72.99300	2.3
73.02956	0.8
75.00875	3.0
83.01383	9.4
84.02174	2.3
85.02950	100.0
86.03286	1.9
87.00878	1.2
89.02448	1.2
96.75214	0.4
98.20602	0.7
99.00884	1.3
101.02428	1.4
103.00365	1.1
111.00886	15.1
111.12147	0.4
112.01202	0.4
115.00375	1.5
119.05018	3.8
125.02457	0.9
129.01949	15.3
133.01421	0.7
133.02942	1.4
134.03745	0.6
135.04520	4.9
143.03494	3.4
145.01491	0.6
147.02988	9.9
148.03316	0.5
153.30032	0.5
161.02405	4.0
161.11546	0.4
163.03993	2.4
173.00902	10.5
179.03522	4.3
187.02469	0.5
191.01970	60.3
192.02318	2.0
205.03532	7.9
209.03009	3.9
223.04581	94.1
224.04890	3.7
311.05042	0.4
335.04092	3.6
337.05618	2.3
339.05130	3.1
340.05322	0.6
353.05093	18.9
354.05554	1.8
369.08240	4.3
369.50806	0.5
385.07742	10.7
386.08063	1.1
531.07849	0.6
545.09320	1.2
662.10339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
56.16368	0.6
57.03451	16.7
59.01383	3.5
66.26498	0.5
67.01894	1.3
68.27106	0.5
68.99814	1.1
70.25980	2.0
71.01384	8.5
72.99320	1.6
73.02936	1.5
75.00874	1.8
83.01389	8.0
84.02150	2.9
85.02951	100.0
86.03292	2.1
87.00858	1.5
89.02407	0.6
98.19877	0.8
99.00885	1.3
101.02450	5.0
103.00387	1.4
109.02952	0.6
111.00883	25.3
114.65578	0.5
119.05028	6.6
127.00419	0.5
127.81146	0.5
129.01944	39.7
130.02330	1.3
133.01405	0.9
133.02921	0.7
134.03751	0.9
135.04489	1.6
144.04509	0.5
145.02943	1.1
147.02991	4.5
161.02516	0.7
161.04558	2.3
163.04016	7.1
173.00909	1.7
177.04010	0.5
179.03488	0.9
179.05667	0.7
187.02469	3.2
191.01971	21.5
192.02313	0.8
205.03526	32.8
206.03908	1.0
209.03018	13.7
223.04585	59.1
224.04930	2.3
295.06061	1.5
309.07632	0.7
339.05090	6.5
340.05502	1.1
351.07269	0.8
353.06262	0.8
359.09747	0.7
369.08240	28.4
370.08615	3.4
385.07635	3.0
386.08322	0.7
513.06702	0.8
531.07928	1.3
545.09406	1.6
636.29193	0.6
755.13629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17403	0.1
59.01374	0.3
61.98829	100.0
62.98520	0.1
69.49180	0.6
71.01389	0.2
75.17741	0.1
85.02952	0.3
91.27112	0.1
100.93416	0.1
101.02452	0.1
112.36590	0.1
116.92857	0.2
126.90514	0.1
148.34604	0.1
171.10342	0.2
178.99867	0.1
203.66455	0.1
209.11772	0.5
217.14403	0.2
235.36861	0.1
255.10555	0.1
293.21320	0.3
294.21686	0.3
295.21652	0.1
305.17685	0.2
307.19043	0.1
355.26859	0.1
411.36020	0.1
415.89630	0.1
754.37006	0.1
755.30273	0.3
762.86542	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	754.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34330	0.1
59.01379	0.2
61.98830	100.0
62.98536	0.3
69.59277	0.3
69.59692	0.2
71.01389	0.2
83.60029	0.1
85.02933	0.2
96.96047	0.1
98.19915	0.1
111.59940	0.1
126.90491	0.2
134.89484	0.2
136.89221	0.2
156.98102	0.1
209.11781	0.2
293.21185	0.2
294.21628	0.2
295.21704	0.1
296.22357	0.1
355.82260	0.1
423.73776	0.1
435.13657	0.1
543.21625	0.1
611.28802	0.1
640.56451	0.1
755.28540	0.1
766.54706	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00690	0.5
58.47013	0.6
59.01114	0.9
59.01382	13.9
61.98590	0.5
61.98829	6.5
63.86859	0.5
67.35763	0.6
69.84812	3.1
71.01368	2.2
73.02947	0.8
78.95896	2.2
85.02955	0.7
89.02446	1.4
92.36001	0.6
101.02429	1.7
113.02435	1.6
129.33218	0.6
153.12878	1.6
161.04546	0.7
169.12331	6.0
197.11826	100.0
198.12062	5.1
235.08182	1.0
253.09308	4.6
264.79324	0.6
277.21716	49.4
278.21985	5.0
282.51938	0.7
415.19928	1.2
433.20737	8.5
445.59161	0.6
475.62750	0.7
552.08484	0.7
572.24579	0.7
753.23376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72025	0.3
55.01873	0.7
57.03446	1.3
59.01378	5.5
61.98830	1.1
69.03456	3.7
70.51654	0.5
70.51987	0.7
71.01391	5.2
71.05024	2.3
72.99285	0.4
73.02947	1.2
78.95919	0.4
83.01374	0.6
83.05019	0.9
85.02948	1.1
86.28152	0.4
87.00871	0.8
89.02452	2.5
95.01410	0.5
95.05032	0.3
97.02930	0.4
97.06579	0.8
99.00874	0.4
101.02435	4.1
109.02944	0.4
109.06609	0.6
111.00902	0.4
113.02442	1.4
119.03538	0.3
121.02874	0.3
123.08170	1.2
125.09728	2.8
129.01970	0.5
151.11295	2.2
153.12814	1.7
161.04536	1.2
161.09741	2.7
163.11354	0.4
165.12801	0.3
167.10736	0.4
179.10791	6.4
180.11067	0.6
187.86444	0.3
195.13887	3.6
197.11830	80.8
198.12193	4.9
207.10300	1.0
209.11848	3.3
211.13382	3.0
223.09776	1.3
223.13318	2.3
225.11314	0.7
228.13373	0.4
235.08266	0.8
241.10835	3.9
253.09326	3.1
275.20142	1.5
287.16489	0.6
291.19662	0.7
293.21240	9.8
294.21490	1.0
305.17636	2.3
307.19104	0.5
309.20490	0.6
322.36609	0.4
459.18893	0.8
477.19727	1.8
541.26349	0.8
591.35919	0.4
735.39789	1.3
753.40631	100.0
754.40961	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
57.03440	3.1
58.00579	1.9
59.01379	52.0
61.98833	10.0
67.01878	1.0
69.03432	2.1
69.60426	4.6
71.01384	37.1
72.01709	0.7
72.99300	2.6
73.02950	10.7
81.03448	1.1
83.01392	8.2
85.02531	0.9
85.02954	19.4
86.00076	1.3
87.00867	3.4
88.98769	1.0
89.02438	8.2
95.01397	3.7
96.96009	3.5
97.02931	2.7
99.00857	3.4
99.92598	0.9
101.02439	23.7
103.78246	0.8
111.00864	4.0
112.01640	1.2
113.02457	16.9
116.92821	3.5
119.03481	1.8
124.01649	1.4
125.02415	6.4
129.01892	1.1
141.01865	1.1
141.12874	0.8
143.03461	3.6
156.48232	0.7
159.02953	2.0
159.10048	0.6
161.04532	2.2
166.07124	0.7
179.05611	0.9
259.21210	1.0
268.03723	0.9
269.04535	1.2
279.23273	2.4
283.05872	1.7
293.10577	2.7
297.24316	1.8
298.32376	0.8
343.28558	6.7
344.28967	0.9
487.32834	3.8
505.33774	11.2
506.34079	1.1
587.06378	0.9
588.16333	0.8
649.38031	100.0
650.38361	20.3
667.39111	65.2
668.39557	10.9
709.40198	28.9
710.40314	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	753.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
56.25818	0.3
57.03448	10.4
59.01372	3.1
62.59277	0.3
66.14309	0.3
68.99809	0.8
69.86207	1.7
71.01376	4.9
72.99303	2.4
75.00868	1.3
75.01268	0.3
83.01381	3.7
84.02168	2.5
85.02947	100.0
86.03283	2.3
87.00880	0.4
89.02445	0.5
96.96017	0.7
99.00880	0.6
100.88059	0.3
101.02451	0.9
103.00366	1.2
107.74210	0.3
108.02065	0.3
111.00873	3.6
115.00391	0.4
115.19371	0.3
117.03468	0.5
119.05070	0.4
129.01944	16.6
130.02321	0.4
132.02194	0.7
133.02957	0.9
134.03740	6.9
135.04526	2.6
143.03499	1.0
147.02985	18.9
148.03377	0.8
149.06088	0.9
160.01653	7.7
161.02443	1.7
163.04012	0.4
173.00888	9.5
174.01225	0.6
175.02544	0.7
175.04002	11.1
176.04289	0.5
178.02750	0.3
179.03427	1.9
191.01971	20.0
192.02328	0.8
193.05049	7.1
197.04607	0.7
205.03638	0.4
209.03030	1.2
223.04567	27.8
224.04849	0.9
261.07660	0.7
309.06146	0.4
323.07681	20.3
324.08069	1.3
335.04034	1.1
353.05124	8.7
354.05405	0.7
367.06644	22.3
368.07065	2.5
385.07785	5.5
386.08224	0.6
623.37018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03159	0.5
57.03447	10.5
59.01374	3.6
68.99817	0.6
71.01380	4.9
72.99316	2.2
73.02915	0.4
75.00876	1.2
83.01388	3.1
83.01840	0.4
84.02164	2.2
85.02947	100.0
86.03276	1.9
89.02434	0.8
96.95992	0.7
99.00889	0.7
100.59561	0.3
101.02428	0.6
103.00387	1.0
104.84772	0.3
108.13042	0.3
111.00877	3.6
111.11906	0.3
115.00383	0.4
117.03461	0.5
125.02393	0.5
129.01939	15.2
132.02171	1.0
133.02940	0.9
134.03734	7.0
135.04546	2.3
143.03479	0.6
147.02986	18.6
148.03304	0.4
149.06039	0.7
154.99847	0.4
160.01649	6.4
161.02458	2.3
169.08803	0.3
173.00894	8.2
175.03989	10.2
176.04311	0.8
178.02629	0.4
179.03494	2.3
191.01979	20.4
192.02336	0.8
193.05052	6.3
194.05377	0.5
197.04594	0.6
199.37070	0.2
205.03519	0.4
209.03062	0.4
223.04585	27.6
224.04959	1.6
237.05986	0.3
261.07562	0.5
323.07687	20.2
324.08075	1.4
335.04144	1.1
353.05130	7.4
354.05347	0.8
367.06668	19.7
368.07062	2.2
385.07770	6.0
386.07852	0.8
486.33023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
59.36523	0.2
60.05854	0.2
61.98830	100.0
62.98542	0.3
66.61678	0.2
69.95844	0.2
71.01382	0.5
72.55974	0.2
74.89140	0.3
81.42699	0.2
85.02963	0.4
89.02436	0.2
91.03945	0.2
95.51343	0.2
98.20285	1.6
101.02480	0.3
101.30429	0.3
116.92904	1.0
126.90527	0.3
162.88585	0.2
163.94115	0.2
165.75311	0.2
205.40823	0.3
219.66849	0.2
232.09819	0.2
291.15195	0.3
324.69119	0.2
355.25064	0.8
364.90921	0.3
397.13461	0.3
780.71710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
57.24026	0.3
58.92339	0.3
59.01377	6.8
61.98837	0.9
63.43679	0.4
69.03453	2.3
70.71088	0.3
70.71447	1.1
71.01389	4.2
71.05018	1.0
72.99312	0.6
73.02951	0.7
80.02668	0.4
81.03445	0.9
83.01421	0.4
83.05026	0.5
85.02946	1.3
85.06570	0.5
87.00894	0.9
89.02445	2.8
90.97195	0.3
92.37750	0.3
93.03463	0.4
95.01379	0.5
95.05036	1.1
97.02952	1.3
97.06601	0.5
98.03730	0.4
101.02442	3.4
109.06577	1.5
111.04536	0.6
111.08167	0.6
113.02483	2.2
116.92908	0.4
119.03515	1.0
123.04514	0.6
123.08146	0.6
125.06103	0.9
125.09740	1.9
127.07693	0.4
141.12817	0.6
142.02635	0.4
143.03497	0.5
145.05063	0.4
149.09671	0.5
161.04588	1.7
161.13361	0.5
163.11259	3.5
165.09132	0.6
165.12840	5.4
167.10756	2.6
171.10243	2.9
177.12874	0.7
179.05658	0.5
179.10762	1.1
179.14417	4.0
180.14754	0.4
181.12346	1.9
185.11832	0.5
189.12862	0.4
191.14331	0.4
193.15965	2.0
195.12111	0.4
195.13898	8.0
195.15591	0.7
197.11826	2.1
205.12328	8.3
206.12653	0.4
207.10257	1.0
209.11853	2.2
223.13385	84.7
224.13707	6.7
224.15883	0.5
235.08171	2.1
247.20647	7.4
248.20920	0.6
248.56131	0.3
253.09282	14.4
254.09653	0.9
273.18616	2.3
289.18079	1.1
291.19647	79.0
292.20004	8.4
305.17670	0.6
309.20694	100.0
310.21042	10.0
334.87378	0.4
343.22726	0.9
345.76620	0.4
380.49222	0.4
389.23221	0.4
441.21234	0.9
459.22342	4.1
460.22723	0.6
507.02295	0.3
527.28778	2.2
545.29694	1.4
632.09357	0.4
733.39984	1.1
734.42596	0.4
751.40063	2.6
752.41278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03448	12.4
59.01379	7.7
71.01376	8.0
71.50969	1.0
72.99297	2.1
73.02981	0.6
75.00878	3.3
76.15859	0.6
83.01384	6.9
84.02169	2.6
85.02950	100.0
86.03285	2.6
87.00919	0.8
89.02457	1.1
96.96023	1.3
99.00888	1.5
101.02431	1.4
103.00361	1.7
103.91219	0.6
105.74918	0.6
111.00876	8.3
114.56638	0.7
115.00351	1.4
129.01959	10.2
133.01431	1.2
133.02905	0.9
134.03731	2.6
135.03831	0.5
135.04550	6.3
143.03471	1.4
143.67035	0.6
145.01353	0.6
145.56502	0.7
147.02989	10.4
161.02435	4.5
161.63440	0.6
162.02913	0.6
168.99927	0.6
173.00899	11.6
179.03500	6.4
191.01978	59.6
192.02274	2.2
193.05090	2.4
201.05573	0.8
205.03470	0.7
209.02882	0.9
223.04578	75.5
224.04976	2.4
242.05479	0.6
247.06209	1.2
265.21417	0.7
291.04959	0.9
321.54251	0.6
335.04083	3.7
336.04620	0.7
353.05118	23.1
354.05435	2.3
385.07822	14.9
386.08252	2.0
463.08820	0.7
584.33325	0.7
589.09052	0.7
599.10211	0.9
751.14087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03428	0.7
58.00600	0.9
59.01379	19.8
61.98829	4.5
69.03445	0.8
71.01379	16.9
72.99310	1.6
73.02947	3.4
81.03465	0.8
83.01392	2.3
85.02935	3.4
87.00879	3.7
89.02441	13.1
90.02715	0.5
91.04048	0.8
95.01354	1.3
97.02917	3.3
99.00901	1.5
101.01801	0.8
101.02441	12.4
111.00842	0.6
113.02455	5.4
116.92828	2.6
117.83099	0.6
119.03481	3.3
121.06586	0.6
125.02448	5.3
125.06108	0.9
126.90508	4.7
131.03528	0.8
139.03981	0.6
143.03479	1.7
150.10471	1.0
161.04605	3.1
165.12840	17.4
166.13155	0.9
171.10243	1.5
179.05591	2.5
180.93004	0.6
209.11911	0.6
212.43355	0.7
221.06697	0.8
235.08206	5.5
242.61610	0.6
247.20636	8.6
248.21101	1.0
253.09282	1.8
257.57327	0.6
273.18610	5.6
274.18939	0.6
287.07684	2.3
291.19647	100.0
292.19971	9.3
305.08817	2.9
323.09711	1.0
397.13489	59.6
398.13864	5.4
415.14545	33.7
416.14941	2.3
543.31256	0.9
689.34021	1.8
712.16943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01377	18.5
61.98826	6.5
69.03439	1.5
71.01386	15.8
71.52462	1.0
72.62364	0.9
72.99287	1.4
73.02948	1.8
83.01382	2.0
85.02946	5.5
85.47020	0.9
87.00883	3.9
89.02450	12.0
97.02943	3.2
97.06535	1.3
99.92547	1.1
101.02422	13.5
113.02476	6.9
116.92866	6.5
117.92873	2.0
119.03524	5.7
125.02444	4.7
125.09718	4.1
143.03398	2.1
143.19463	1.1
161.04572	2.6
161.63861	0.8
165.12825	15.2
171.10294	2.1
179.05594	2.2
187.09750	4.5
197.11877	1.5
209.11755	2.4
235.08260	5.2
238.21576	0.9
247.20604	7.3
273.18588	5.2
287.07922	1.5
291.19650	100.0
292.19952	9.6
305.08688	2.2
397.13477	56.0
398.13779	5.5
415.14575	29.6
416.14645	2.9
423.18576	2.4
633.31384	1.3
689.33984	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	749.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47950	1.7
56.51705	2.0
57.03451	12.5
59.01371	10.7
62.07062	1.6
65.34119	1.6
71.01395	9.6
71.50670	1.8
72.99294	6.2
75.00876	2.1
83.01391	1.9
84.02150	2.3
85.02953	99.5
86.03271	2.1
89.02425	3.4
96.96000	5.2
103.00423	1.6
110.01606	1.6
111.00877	3.7
118.96587	2.9
119.05032	8.8
129.01958	9.8
133.01442	5.6
141.01698	2.2
145.02946	2.3
147.03026	11.1
161.02281	1.8
173.00867	1.8
191.01965	73.6
192.02348	3.1
209.03020	100.0
210.03389	5.5
218.99750	3.8
231.01280	3.0
240.96764	2.2
246.98363	5.3
288.98831	3.6
337.05563	2.3
355.06754	38.0
356.07050	3.5
375.00317	2.8
393.01880	6.6
395.06409	5.1
402.98224	2.5
549.01471	2.1
567.03217	3.2
585.04065	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.6
55.01872	1.5
57.03449	7.3
58.00602	0.6
59.01379	5.9
68.99821	1.2
69.27857	0.8
69.28262	4.2
71.01382	9.9
72.70290	0.5
72.99329	1.8
74.26302	0.5
75.00877	3.4
83.01396	5.0
84.02168	2.3
85.02953	91.2
86.03289	2.6
87.00900	1.3
89.02435	1.6
96.96004	2.7
98.20089	2.3
99.00886	1.6
100.14011	0.6
101.02477	1.0
103.00381	2.2
111.00884	1.7
115.00388	0.9
115.49853	0.6
128.90108	0.6
129.01944	5.0
130.85042	0.5
133.01436	1.1
133.02943	1.3
134.03745	1.6
135.04520	16.8
136.04933	0.7
143.03468	0.8
145.02876	0.7
147.02963	5.3
161.02455	2.5
163.03973	0.7
173.00888	2.7
179.03505	8.2
191.01971	52.8
192.02310	1.4
194.32890	0.5
197.04506	0.6
201.01845	0.7
205.03506	1.0
209.03036	1.2
223.04588	100.0
224.04845	3.3
241.10724	0.5
309.46387	0.6
353.05182	1.3
359.03705	1.2
359.10138	5.1
385.07797	7.6
415.59183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03448	10.3
59.01384	5.6
68.99816	1.0
71.01382	6.3
71.50539	0.9
72.99331	2.3
73.16614	0.9
75.00888	2.4
76.85862	0.7
82.96561	0.9
83.01395	2.9
84.02159	3.4
85.02950	100.0
86.03289	3.3
87.00893	1.2
89.02431	1.5
96.99364	0.8
103.00356	1.9
111.00882	6.0
113.92468	0.8
121.02965	1.6
129.01970	7.9
132.10095	0.9
133.01427	1.9
147.03008	15.1
148.03239	1.1
153.05557	1.1
161.02480	0.8
163.03952	1.0
166.11656	0.8
167.86786	0.8
173.00890	2.8
191.01974	59.1
192.02301	3.0
193.02460	1.2
197.04509	2.2
209.03026	42.1
210.03423	1.6
335.11691	0.9
355.06702	14.6
356.07101	1.3
371.06146	2.1
389.07239	16.6
390.07556	1.9
391.00583	1.0
438.77542	0.8
637.64844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41824	14.5
61.98835	29.3
64.62204	14.2
67.23952	14.6
70.49628	48.1
78.95893	27.5
152.99574	37.6
153.65022	17.0
279.23236	100.0
507.27283	90.1
508.27625	21.4
743.48706	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60773	18.6
61.98833	100.0
71.51409	28.8
78.44756	18.8
78.95901	31.0
93.61058	21.9
132.63693	20.4
134.09338	16.5
139.04727	18.1
152.99590	25.0
197.41728	17.6
203.60065	18.3
211.13472	25.2
246.62498	20.2
254.55032	18.1
305.96878	19.7
310.40295	19.2
424.47461	18.7
649.07288	20.2
651.36615	19.6
743.45789	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	743.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.6
61.86641	1.3
61.98824	4.0
68.99573	3.4
69.27267	7.7
69.27676	2.5
71.01367	7.2
72.99307	1.3
82.01688	1.1
85.02958	2.6
89.02457	4.8
101.02464	3.5
109.06598	1.4
112.98598	3.5
113.02477	1.6
114.75955	1.2
116.92872	2.1
124.35194	1.3
125.02433	1.4
126.90510	100.0
131.38837	1.3
161.04530	1.7
191.02023	1.4
197.11861	2.1
207.10283	2.2
209.11775	1.4
225.11317	1.6
289.18143	2.0
290.18390	1.3
291.19577	6.4
307.19180	2.5
309.17209	2.5
309.20706	41.0
310.21069	2.8
397.13553	15.0
415.14627	9.0
505.54330	1.3
707.34900	33.9
708.35175	9.1
743.32568	18.2
744.32880	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	743.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.1
61.98819	3.6
63.31654	1.1
71.01367	5.9
71.51702	2.2
73.02951	1.6
83.01365	1.8
83.56994	1.1
85.02930	2.5
87.00890	1.6
89.02442	6.7
101.02438	6.7
104.83293	1.4
108.21812	1.1
113.02390	2.9
116.92809	1.8
119.03491	3.0
125.02503	1.7
134.89464	1.4
151.95134	1.3
165.12703	1.5
179.05615	2.2
181.12408	1.1
187.36974	1.3
196.17352	1.2
197.11769	4.4
223.13335	1.5
235.08191	1.8
247.20740	2.4
253.09297	1.4
264.03772	1.3
291.19653	34.4
292.19861	2.2
309.20697	100.0
310.21054	9.3
397.13492	41.5
398.13754	4.2
415.14560	33.8
416.14923	3.4
451.07303	1.3
615.88165	1.3
689.34033	5.1
707.34711	9.4
708.35120	2.0
716.28662	1.5
743.19086	2.5
743.32581	47.0
744.32837	9.7
774.53650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
59.01386	17.7
61.98826	14.3
65.14383	2.3
66.13181	2.3
71.01376	12.2
71.10712	2.3
71.21882	5.5
73.02937	3.0
78.95890	3.9
81.85422	2.6
85.02946	11.3
87.00830	2.8
88.98812	2.6
89.02453	10.9
96.96018	5.9
99.92618	2.9
101.02436	7.5
113.02441	5.6
116.92858	12.3
119.03485	2.9
125.02473	4.9
125.50571	2.5
126.90473	4.3
191.01906	3.2
197.11771	4.0
212.29205	2.6
235.08070	4.0
247.20535	3.9
279.40567	2.6
291.19662	21.1
309.20688	100.0
310.21005	12.1
397.13492	30.8
415.14557	26.9
416.15039	3.1
538.28961	2.7
707.34967	75.5
708.34869	17.5
743.32556	37.6
744.33093	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	743.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.4
61.98827	3.6
71.01377	7.3
85.02941	3.9
87.00880	2.1
89.02441	7.5
101.02483	6.3
113.02410	2.1
116.92813	2.6
119.03477	1.8
125.02412	2.1
139.32137	1.1
142.76488	1.0
142.91608	1.1
156.10564	1.1
161.04488	2.3
163.11336	1.3
165.12843	2.5
179.05605	1.8
186.48895	1.3
197.11848	1.3
235.08257	2.8
236.74017	1.2
247.20638	2.6
247.61630	1.1
273.18423	1.3
291.19675	34.5
292.20001	3.6
309.20703	100.0
310.21017	12.2
356.19867	1.2
397.13507	40.6
398.13779	3.4
415.14566	35.8
416.15057	2.9
689.33807	3.5
707.34991	8.7
743.32617	57.2
744.33112	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	743.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.11448	0.4
57.03447	7.2
59.01105	0.6
59.01379	5.3
60.70969	0.4
62.07566	0.3
68.99792	0.9
71.01382	5.9
71.10201	0.4
71.22166	0.8
72.99308	1.0
73.02917	0.4
75.00874	1.5
76.90441	0.4
83.01372	1.3
84.02159	1.5
85.02949	61.1
86.03282	1.1
87.00913	0.6
89.02449	2.5
101.02486	0.6
103.00385	0.9
106.09671	0.4
108.08827	0.3
108.10823	0.4
111.00876	3.6
115.00353	0.6
129.01930	4.7
133.01439	4.1
135.04539	2.0
144.77892	0.3
147.03003	4.1
156.19269	0.4
168.52979	0.4
173.00900	1.8
179.03506	1.1
179.56653	0.4
191.01973	29.7
192.02365	1.1
200.77188	0.4
209.03018	100.0
210.03383	3.0
221.68803	0.3
298.23560	0.4
353.05118	0.5
370.42365	0.4
371.06207	8.0
372.06357	0.9
381.82529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00618	0.5
59.01375	7.3
61.98826	4.8
69.03466	0.7
71.01383	5.5
71.52286	0.5
73.02953	1.2
80.02688	0.5
81.03457	0.7
83.01376	0.7
83.05022	2.6
84.02145	0.8
85.02949	2.0
87.00884	1.2
89.02454	2.6
95.05086	0.6
97.06599	1.0
99.04533	0.9
101.02441	4.3
109.06615	0.6
111.08176	0.5
112.05274	0.8
113.02444	2.6
115.07617	0.9
116.92943	0.5
119.03536	1.1
123.04503	0.6
123.08171	1.1
125.09704	2.9
126.90495	0.6
127.07645	2.0
135.08165	0.9
141.09224	1.0
143.03510	0.5
145.05058	0.7
153.09201	10.2
153.12836	1.5
154.09625	0.5
155.10736	0.8
161.04549	1.4
163.11287	1.8
165.12802	1.1
167.10744	0.4
169.12347	6.7
171.10271	11.0
172.10593	0.7
178.10019	1.7
179.05559	1.0
179.10751	1.4
181.12398	0.9
185.11824	6.1
186.03664	0.5
191.10747	0.8
191.14394	1.0
195.10271	1.6
197.11823	100.0
198.12184	6.0
209.11826	26.2
210.12140	1.8
211.13409	0.5
213.11285	2.6
235.08234	3.9
238.11966	0.8
239.16280	0.4
245.19069	1.7
253.09264	9.1
263.20187	0.6
265.18097	0.5
269.30396	0.5
279.19574	0.6
289.18109	8.2
289.21332	0.3
290.18430	0.6
291.19598	2.2
297.20755	0.7
304.25723	0.5
307.19135	39.3
308.19485	4.0
309.20667	3.1
325.20157	14.5
326.20383	1.2
433.20673	4.6
474.20261	0.5
481.94431	0.5
487.30927	0.6
505.25443	0.5
525.27094	3.7
526.27362	0.9
543.28101	9.5
544.28479	1.8
561.29138	2.1
654.32233	1.8
679.37115	0.5
705.38464	0.9
723.39679	11.2
724.39917	2.1
741.40479	8.3
742.41156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
58.56905	1.3
59.01379	24.6
60.55750	1.3
61.98832	29.4
64.35700	1.5
69.22169	4.2
69.22594	8.7
71.01382	18.2
73.02932	1.5
78.95488	1.5
78.95912	4.3
83.01392	2.4
85.02959	8.7
87.00880	4.2
87.42422	1.2
87.92071	1.5
89.02444	20.2
95.01395	2.3
97.02952	4.3
98.19897	3.1
99.00862	2.7
101.02446	17.9
109.06600	2.3
113.02456	9.1
116.92850	5.3
119.03511	7.8
123.04548	2.5
125.02406	6.4
125.09707	3.5
126.90508	5.7
137.09738	3.1
141.01921	1.9
141.16045	1.3
143.03502	4.0
161.04549	3.3
163.11263	5.5
179.05620	5.0
185.11824	5.7
191.01974	4.6
191.14452	7.0
192.70032	1.3
207.10223	3.4
209.03020	2.2
209.11819	2.6
221.06581	1.9
225.11305	4.5
235.08202	6.5
237.11292	2.6
245.19083	14.8
253.09227	1.6
271.17078	3.0
289.18106	67.0
290.18439	6.8
305.08847	2.6
307.19150	100.0
308.19424	11.7
309.20782	1.8
323.09827	1.5
339.05173	2.7
397.13507	72.9
398.13895	8.2
415.14554	50.4
415.18915	1.1
416.15030	5.2
687.32422	9.0
705.33337	12.1
706.33722	4.3
741.30890	15.2
742.31244	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	741.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85675	0.6
55.01867	1.2
57.03449	13.9
59.01381	6.6
68.99810	1.0
69.49593	0.5
69.54440	3.3
71.01370	5.3
72.99312	1.5
73.02949	1.0
75.00871	1.8
76.28732	0.7
83.01372	2.8
84.02165	3.2
85.02949	100.0
86.03265	2.7
87.00872	1.5
89.02454	1.7
101.02444	1.2
103.00365	1.1
111.00871	8.3
115.00382	0.9
119.05026	1.3
129.01942	10.5
133.01445	1.9
135.04472	0.8
147.02995	10.2
152.73611	0.5
163.03999	1.1
173.00882	1.9
191.01968	59.1
192.02281	1.4
205.03571	5.0
209.03021	60.4
210.03337	2.9
223.04578	28.1
224.04955	1.3
337.05533	0.9
339.05121	4.0
355.06671	24.3
356.07162	2.2
385.07822	4.5
426.03690	0.6
531.07776	1.3
541.57111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01378	24.5
61.98830	12.0
62.74036	1.4
71.01385	18.3
73.02953	2.2
78.95918	9.2
85.02958	9.2
87.00864	3.1
87.50556	1.4
89.02450	20.0
92.38605	1.5
93.96818	1.6
95.01401	1.7
95.05055	1.8
96.96016	2.0
97.02942	3.7
99.00893	1.4
100.50162	1.5
101.02446	15.3
102.48975	1.5
103.32310	1.7
113.02457	6.4
113.14041	1.5
116.92840	6.8
119.03521	5.4
120.14119	1.7
123.04524	1.6
125.02448	5.4
126.90499	5.1
133.78752	1.4
137.09769	2.1
138.85515	1.4
143.03485	3.4
161.04590	4.9
163.11287	4.2
171.10329	2.6
177.12883	2.1
179.05582	4.9
185.11800	3.3
189.67450	1.5
191.01956	1.8
191.14407	6.6
207.10289	2.7
209.03114	3.3
225.11188	3.4
235.08226	5.6
237.11298	4.2
245.19101	15.5
246.19502	2.0
253.09187	3.7
271.16949	2.6
287.07651	2.2
289.18097	65.0
290.18311	7.4
305.08911	1.9
307.19147	100.0
308.19327	10.1
309.20758	1.7
339.05164	2.0
397.13513	66.9
398.13821	5.6
415.14584	50.1
416.15094	2.6
625.71362	1.6
636.26215	2.8
687.32104	5.3
705.33405	13.1
706.33734	2.5
741.30969	14.6
742.30804	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	741.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03448	11.7
59.01118	0.9
59.01382	7.3
60.62720	0.5
63.85071	0.5
68.99796	1.5
71.01382	8.2
71.51153	0.9
72.99312	1.6
75.00880	2.3
78.95908	0.7
83.01376	2.8
84.02164	2.0
85.02950	100.0
86.03284	3.1
87.00869	1.6
89.02435	2.6
93.03482	0.8
96.96018	0.6
99.12222	0.6
101.02437	1.1
103.00382	1.7
109.02972	1.3
111.00858	4.0
112.01228	0.7
115.00382	1.1
119.05051	1.0
121.02963	1.1
129.01942	10.7
133.01424	3.0
133.02937	0.9
134.03806	0.8
135.04509	1.7
135.27116	0.6
147.02998	9.7
148.03271	0.6
161.02466	1.9
163.86519	0.5
173.00934	3.5
179.03502	1.8
191.01968	60.5
192.02354	2.9
205.03539	0.6
209.03026	71.0
210.03317	2.9
211.78149	0.6
221.06165	0.7
223.04594	2.5
223.07610	1.8
224.04805	0.6
237.05566	0.6
239.07118	2.0
249.05594	1.2
250.06416	0.6
251.07245	1.7
255.10307	1.0
267.06604	4.7
277.05014	1.1
282.60596	0.6
295.06137	4.8
311.05643	1.6
321.04166	0.7
337.05627	0.8
339.05078	42.4
340.05347	5.1
343.08289	0.8
355.06705	9.6
356.06970	0.7
385.07669	3.5
458.80927	0.6
505.10129	1.8
513.06812	2.4
531.07739	17.0
532.08289	2.9
549.12500	0.9
741.13672	2.2
762.30707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03453	12.7
59.00867	1.0
59.01130	1.2
59.01382	7.0
61.98831	1.1
68.99815	0.6
69.44756	1.2
69.45163	2.7
71.01378	9.3
72.99302	2.3
73.09287	0.6
75.00867	3.0
78.95902	0.8
83.01394	2.8
84.02160	2.9
85.02952	100.0
86.03292	2.1
87.00887	2.5
89.02444	2.3
93.03480	0.7
101.02454	1.6
103.00359	0.8
105.03429	0.5
109.02958	1.0
111.00867	4.3
115.00379	1.3
118.33659	0.7
119.05034	1.6
121.02924	1.9
129.01952	12.7
130.02173	0.6
133.01418	3.8
133.02974	1.3
134.03673	0.7
135.04517	3.2
137.02446	0.6
145.02905	0.6
147.02992	9.7
159.04512	1.1
160.01630	0.6
161.02487	3.1
163.03963	0.9
173.00983	2.8
173.02252	0.6
179.03494	1.9
179.10863	0.6
191.01968	59.3
192.02327	2.1
195.08109	1.3
197.05949	0.6
205.03456	1.1
209.03023	73.7
210.03348	2.4
211.07672	1.2
221.06030	1.1
222.06790	0.8
223.04616	2.4
223.07693	3.0
224.04881	0.7
225.05333	0.5
229.01300	0.9
233.06053	0.5
237.05441	0.8
239.07156	2.3
249.05548	1.5
250.06271	1.2
251.07106	3.5
252.07558	0.6
253.05096	0.6
255.10324	0.8
266.05991	0.7
267.06522	5.2
269.08261	1.8
277.05054	1.6
280.98959	0.5
293.04605	0.7
295.06039	6.0
296.06320	0.7
311.05566	1.6
313.07242	1.2
321.04086	1.8
339.05072	68.0
340.05417	5.9
343.08621	0.6
355.06757	8.2
356.06891	0.7
385.07669	3.5
405.83997	0.5
505.09610	3.3
513.06830	3.4
531.07733	26.9
532.08435	3.4
549.10162	0.6
550.79913	0.6
723.11597	0.8
741.12567	3.1
759.56964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98830	100.0
62.98523	0.1
71.01390	0.4
71.08857	0.2
77.50201	0.1
85.02955	0.2
89.02449	0.2
101.02478	0.3
101.54651	0.1
113.84469	0.1
115.08093	0.1
129.11902	0.1
156.70645	0.1
180.33904	0.1
185.11768	0.1
197.11879	0.3
209.11894	0.4
211.13383	1.2
212.13756	0.7
214.16556	0.2
253.09366	0.3
279.23383	0.3
280.23755	0.3
294.21518	0.2
295.22928	0.2
309.20926	0.4
310.21179	0.4
397.13620	0.2
398.13855	0.3
399.14230	0.4
400.14316	0.2
417.15277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50260	0.1
53.50594	0.1
59.01378	0.7
61.98827	100.0
62.98539	0.2
68.50484	0.1
71.01388	0.4
89.02459	0.2
96.37490	0.1
98.19872	0.2
98.20573	0.3
101.02418	0.2
117.92091	0.1
132.05379	0.1
164.53828	0.1
171.10223	0.1
197.11760	0.1
209.11812	1.1
210.12181	0.5
211.13393	0.5
212.13744	0.2
227.12903	0.1
235.08270	0.1
253.09335	0.2
254.09724	0.1
279.23273	0.4
280.23648	0.4
281.23895	0.2
291.19696	0.2
293.21191	0.6
294.21570	0.5
309.20737	0.3
310.21075	0.2
397.13644	0.3
398.13947	0.3
399.14151	0.4
400.14438	0.2
416.14847	0.1
417.15198	0.2
418.15463	0.1
665.60840	0.1
740.42908	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	740.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16801	0.0
59.01373	0.2
61.98829	100.0
62.98532	0.2
62.99260	0.1
62.99615	0.0
65.74860	0.1
85.02962	0.1
98.19861	0.1
147.41534	0.1
192.70757	0.1
453.33209	0.1
678.49536	0.1
679.50238	0.3
680.50433	0.7
740.49249	2.3
741.49591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03440	1.2
59.01381	7.2
61.98830	3.8
68.99798	0.4
69.03456	0.6
69.87297	1.7
71.01382	5.0
71.05028	2.4
73.02953	0.6
77.40142	0.4
79.19289	0.3
80.23896	0.3
80.40999	0.4
83.01373	0.9
83.05025	0.6
85.02960	1.2
87.00882	0.5
89.02453	3.6
95.04996	0.8
96.28549	0.4
97.02958	3.7
97.06586	2.6
98.20321	1.1
99.00880	17.2
99.11969	0.4
100.01188	0.5
100.72761	0.4
101.02423	3.0
109.06580	0.8
110.03712	0.9
113.02415	1.9
119.03507	0.7
122.14535	0.4
123.08163	1.1
125.09727	6.0
134.89526	0.4
135.08162	1.0
142.02681	1.3
153.12852	0.5
155.14319	0.5
161.04573	0.8
161.09802	0.4
163.11284	8.6
171.10257	1.4
181.12343	19.0
182.12642	0.6
197.11766	1.4
199.13393	13.2
200.13770	0.8
207.10252	26.5
208.10541	1.8
211.13411	1.9
223.13345	0.5
225.11317	37.3
226.11658	2.5
227.12904	0.6
235.08189	0.5
243.12361	21.9
244.12668	1.4
253.09254	1.4
277.21719	13.9
278.22028	1.5
281.24860	2.6
301.12546	0.4
309.20813	0.5
310.99429	0.4
329.86902	0.4
397.13474	4.0
415.14435	1.3
461.20282	2.3
472.49634	0.4
479.21307	7.2
480.21753	0.9
525.34668	0.4
533.47559	0.5
651.46613	0.5
721.42255	0.5
739.42712	100.0
740.43091	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03431	1.2
59.01375	6.3
60.24533	0.5
61.98828	11.2
70.73532	1.5
71.01368	3.6
71.05017	3.1
73.02938	1.4
74.41500	0.4
75.37681	0.4
77.66994	0.5
83.01382	0.7
83.04992	0.9
83.79765	0.5
85.02923	1.2
87.00855	1.7
89.02431	2.1
95.05017	1.2
97.02962	2.8
97.06577	4.0
99.00880	16.6
101.02427	3.9
109.06579	0.9
113.02433	1.3
116.11684	0.4
119.03482	0.5
123.08128	2.2
125.08828	0.7
125.09712	8.9
125.83029	0.5
126.90442	0.6
135.08064	1.2
138.83177	0.5
142.02769	0.9
145.05064	0.5
153.12854	0.8
161.04552	1.2
163.11285	13.6
164.44131	0.5
170.38094	0.5
171.10246	1.7
181.12346	17.1
182.12737	0.6
189.09334	0.6
197.11816	0.7
199.13402	6.8
207.10239	22.4
208.10506	1.4
209.11848	1.0
211.13362	3.3
225.11307	24.4
226.11690	1.2
227.12888	0.5
235.08260	1.1
243.12349	11.3
244.12743	1.4
253.09212	1.9
270.86093	0.5
277.21716	31.1
278.22076	3.3
281.24600	1.2
291.19547	1.4
293.21118	1.2
307.22742	0.5
309.20770	1.0
397.13361	1.4
411.59665	0.6
461.20261	3.1
479.21088	3.1
739.42706	100.0
740.43066	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
61.98832	9.3
71.01385	1.9
71.52215	0.3
72.99306	0.3
73.02945	0.4
80.02676	1.1
81.03446	1.1
83.01391	0.5
83.05027	5.0
84.02156	0.7
85.02957	0.9
87.00878	0.4
89.02457	1.5
93.59344	0.2
95.01403	0.4
95.05022	0.7
97.02946	0.2
99.00885	0.3
101.02441	2.3
109.06612	0.3
111.08112	0.2
113.02451	1.1
116.92879	0.2
119.03512	0.3
125.06059	0.6
126.25163	0.2
126.90499	0.3
135.08156	0.5
143.03416	0.2
145.05139	0.4
161.04504	1.2
163.11275	3.3
165.12892	1.7
171.10225	0.6
179.05588	0.3
179.14351	0.4
181.12286	0.7
183.13889	0.3
191.10791	0.9
195.13924	2.3
197.11917	0.4
209.11818	100.0
210.12172	6.0
211.13393	2.6
212.13754	0.3
223.13399	2.2
227.12880	10.7
228.13344	0.9
231.20992	0.3
235.08182	3.1
253.09279	10.9
254.09673	0.5
267.64267	0.2
275.20169	2.5
291.19650	0.9
293.21225	37.2
294.21548	3.5
299.01898	0.5
309.20767	1.1
445.20758	1.8
463.21921	0.3
519.29486	0.2
581.30487	0.2
739.39746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.4
59.01377	4.9
61.98831	4.4
67.33442	0.5
69.03412	0.4
71.01378	4.1
71.05012	0.4
72.99296	0.7
73.02953	0.5
80.02680	1.1
81.03466	1.0
83.01395	0.7
83.05019	4.6
84.02158	0.5
85.02953	1.2
87.00859	0.7
89.02440	2.1
95.05039	0.9
101.02441	3.1
111.08174	0.6
113.02447	1.7
119.03490	0.9
125.02420	0.3
125.09754	0.4
135.08159	0.5
145.26845	0.3
147.86838	0.3
161.04518	1.3
163.11295	3.3
165.09135	0.4
165.12836	2.4
167.10783	0.5
169.12375	0.4
171.10284	1.2
177.12883	0.4
179.05650	0.5
179.14383	0.7
181.12343	1.0
185.11830	1.2
191.10776	0.8
195.13905	7.9
196.14574	0.7
197.11784	0.5
205.12312	0.5
205.16020	0.5
209.11818	100.0
210.12149	5.6
211.13390	5.9
212.13721	0.4
223.13373	5.7
227.12871	11.8
228.13426	1.1
231.21156	0.7
235.08237	2.1
253.09271	18.4
254.09575	1.1
256.13184	1.2
265.21844	0.4
275.20148	6.5
276.20483	0.7
291.19461	2.0
293.21219	92.2
294.21533	8.7
300.02542	0.5
309.20853	1.6
344.76309	0.4
418.07248	0.4
445.20740	1.2
446.08234	0.4
485.32205	0.4
492.21829	0.4
527.28522	0.5
529.30023	1.2
739.39764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
61.98831	13.0
69.03448	3.7
71.01373	5.0
73.02956	1.2
78.95901	2.7
83.01369	1.6
83.05008	1.0
85.02941	1.6
89.02424	2.4
98.20705	1.8
101.02437	2.5
113.02456	2.4
115.12640	1.0
123.08179	1.6
125.09761	1.9
151.11284	1.9
161.09689	2.7
179.10811	7.7
183.10255	10.3
197.11841	34.0
198.12183	2.5
209.11841	1.6
241.10847	1.2
253.09282	3.2
277.21716	5.3
279.23285	58.6
280.23618	7.2
320.74573	1.0
419.19016	1.3
481.74307	1.0
739.42719	100.0
740.42993	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	739.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
58.00595	1.7
59.01384	32.2
61.98831	8.3
69.03449	3.2
71.01382	26.9
72.02169	2.4
72.99301	1.8
73.02941	4.1
81.03439	1.9
83.01381	3.1
83.05025	3.9
84.02168	2.4
85.02943	10.0
87.00874	5.0
88.98793	1.3
89.02444	18.9
95.01395	1.4
95.05025	3.2
96.96014	1.4
97.02956	3.5
97.06587	11.4
99.00877	8.8
101.02442	16.3
107.05020	3.4
109.06627	1.5
111.08183	1.3
113.02451	8.5
116.27853	1.2
116.92871	2.6
119.03543	5.9
121.02901	1.1
123.08159	1.9
125.02457	5.0
125.06084	29.2
125.09695	4.0
126.90541	2.8
127.11286	6.4
135.08191	1.5
139.07649	4.7
141.09239	9.3
143.03516	1.9
147.02972	1.1
151.07632	1.9
153.09253	1.3
161.04547	3.6
163.11281	3.3
169.08705	50.9
170.09033	3.7
171.10277	17.7
177.73279	1.2
179.05626	5.3
183.10268	1.1
185.11826	1.8
193.12286	2.2
197.11752	4.1
199.09737	4.3
199.13446	1.4
201.11331	100.0
202.11627	5.3
207.10240	4.1
209.03087	1.8
209.11806	23.5
210.12212	1.9
211.13356	6.4
221.06639	2.3
221.11931	1.2
225.11311	7.0
225.15005	3.4
227.12952	1.5
229.41171	1.4
235.08266	3.5
236.10527	1.1
243.12468	1.9
243.15845	1.2
261.18594	1.8
287.07803	1.2
287.16452	3.6
291.19614	1.5
305.08749	1.3
305.17572	31.5
306.17706	2.6
323.09848	1.5
323.18680	6.5
341.23322	49.3
342.23618	5.8
397.13455	31.4
398.13834	3.4
415.14587	43.3
416.14899	2.3
458.00006	1.3
599.25360	5.2
623.25781	2.5
641.26514	2.1
671.71240	1.2
679.48199	2.0
703.31378	8.9
704.32678	2.1
721.32977	4.3
739.37640	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	739.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03443	1.8
58.00591	1.6
59.01379	26.8
61.07584	0.8
61.98830	4.6
64.07879	0.9
66.20026	0.9
69.03452	2.1
69.11341	0.9
71.01015	1.6
71.01384	23.7
71.41350	0.9
72.02155	2.2
72.99315	2.0
73.02943	3.7
81.03459	1.3
83.01387	3.0
83.05058	2.0
84.02170	2.7
85.02935	8.1
87.00897	5.0
88.98773	1.0
89.02446	20.2
95.01380	1.1
95.05025	3.7
96.95953	1.0
97.02946	3.9
97.06579	12.4
99.00876	7.6
101.02442	15.9
103.22430	0.8
105.01898	0.9
107.05040	4.8
109.06595	1.5
111.08137	1.8
113.02448	8.2
116.92844	6.4
119.03493	5.3
121.02966	1.6
121.06568	0.9
123.08146	3.7
125.02451	6.7
125.06085	29.6
125.09705	6.3
126.06406	1.4
126.84089	0.9
126.90451	1.5
127.11275	4.8
129.01941	1.4
131.03490	1.0
133.03001	0.9
133.60719	0.8
134.89447	1.1
135.08148	1.5
137.09689	1.8
139.07643	4.4
141.09198	12.0
143.03493	2.4
149.04532	0.9
151.07649	2.4
153.09178	3.5
155.10751	2.1
161.04530	3.4
163.11275	2.7
165.09163	2.1
169.08698	55.1
170.09079	2.3
171.10268	22.5
172.10690	1.3
174.88562	1.1
176.08452	1.1
179.05600	5.2
183.13826	1.7
185.11803	1.1
187.09793	1.0
191.01939	1.7
191.10756	1.3
193.12302	1.1
197.11813	5.6
199.09726	3.8
199.13359	1.9
201.11314	100.0
202.11684	6.2
207.10248	4.1
209.02957	1.3
209.11809	27.7
210.12263	2.0
211.13454	4.6
221.06596	2.3
225.11374	7.3
225.14908	1.7
232.97015	0.9
235.08217	5.1
243.12296	2.6
251.16447	0.9
253.09370	1.2
261.18460	2.5
263.07800	0.9
263.16565	1.0
279.19598	1.2
287.16412	4.2
295.18997	1.0
305.17603	29.8
306.17883	2.7
323.18637	6.8
323.21902	1.3
341.19943	1.2
341.23297	29.6
341.27380	1.7
342.23642	2.3
397.13501	32.3
398.13852	2.4
415.14557	36.8
416.14917	3.0
422.48187	0.9
494.80835	0.9
597.24500	1.9
599.25623	4.1
623.25677	2.4
641.26318	3.0
703.32233	9.6
704.31879	1.7
721.32751	4.3
722.33307	2.0
739.35602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03447	18.1
59.01372	1.9
69.36615	5.7
69.37025	1.8
71.01367	2.3
74.12377	0.9
83.01373	4.4
84.02173	3.1
85.02950	95.1
86.03275	2.1
98.20181	4.2
107.05030	1.2
109.02959	5.0
111.00880	2.9
119.05051	2.2
129.01949	62.8
130.02237	1.5
133.02980	10.2
134.03745	2.7
135.04533	38.3
136.04849	1.4
147.03003	45.0
148.03357	2.6
154.99809	1.4
161.01135	2.0
161.02437	40.0
162.02757	1.9
163.04004	2.8
173.00911	56.8
173.40123	1.0
174.01196	2.4
179.03505	28.8
180.03836	1.6
182.26007	0.9
182.47437	0.9
191.01987	6.7
201.05521	3.6
209.03021	2.0
219.03038	1.6
219.06621	1.8
223.04576	1.6
245.04587	1.0
247.06084	3.6
255.78484	1.1
273.03885	1.0
291.05090	3.6
309.06137	2.2
320.63458	1.3
335.04074	14.6
336.04324	1.5
353.05130	100.0
354.05515	10.3
354.63098	1.1
679.97235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.2
55.01881	2.0
56.99816	0.3
57.03448	8.7
57.44358	0.3
59.01377	6.1
65.47564	0.2
68.99813	1.4
71.01379	9.2
71.50916	0.4
72.99308	2.6
73.02941	0.5
74.47339	0.2
75.00874	3.4
83.01383	4.8
84.02162	2.5
85.02948	95.4
86.03292	2.2
87.00862	1.8
89.02441	2.4
96.96000	0.2
99.00892	1.9
101.02454	0.6
103.00389	1.4
111.00889	1.8
113.84139	0.2
115.00360	1.2
117.03448	0.5
119.05027	10.1
120.05347	0.6
125.02439	0.5
129.01952	5.3
133.01442	1.6
135.04533	0.6
143.03497	1.7
145.01526	0.3
145.02977	1.2
147.02995	7.8
156.26527	0.2
161.02412	0.6
163.04008	11.8
164.04340	0.6
173.00873	3.1
179.03462	0.3
181.90750	0.2
191.01968	53.2
192.02295	1.7
205.03479	0.5
209.03030	1.0
223.04575	100.0
224.04939	3.7
293.06848	0.3
335.04291	0.3
337.05841	3.0
353.05118	0.8
361.36493	0.2
369.08221	7.9
369.12799	0.4
370.08615	0.8
385.07733	0.5
429.05881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.2
57.03449	11.7
59.01374	8.5
63.99567	0.8
68.99802	2.1
71.01381	26.3
71.21838	1.2
72.99316	7.3
75.00881	2.4
83.01385	27.3
84.01711	1.0
84.02154	2.0
85.02950	100.0
86.03288	2.2
87.00871	1.7
89.02444	3.4
93.03481	1.4
96.96014	3.7
99.00871	4.7
101.02439	1.9
103.00392	1.6
109.02946	1.7
111.00880	22.9
115.00393	4.5
115.03995	1.2
117.03487	2.2
119.05025	61.5
120.05386	2.1
121.02941	1.9
124.00193	0.8
125.02444	4.4
126.90488	0.9
129.01942	43.3
130.02275	1.2
133.01425	5.5
135.04485	0.9
137.02393	1.0
143.03505	14.4
143.04715	1.1
143.05113	1.0
145.01730	1.1
145.02943	18.2
145.03993	1.5
146.03339	1.3
147.02980	8.1
147.04465	1.4
153.01938	2.5
154.99843	3.3
161.02440	1.1
163.04001	72.6
164.04353	3.7
168.04291	1.7
173.00900	48.1
173.06104	0.9
174.01222	1.1
175.03973	1.3
177.01898	3.5
177.05440	0.9
183.06596	2.9
184.11539	0.7
185.06090	3.0
187.02483	1.1
187.03932	1.0
191.01976	43.2
192.02278	1.8
194.70485	0.9
197.04472	1.6
203.07059	4.1
205.03522	6.7
209.03041	3.6
223.04578	59.6
224.04938	1.8
227.47627	0.8
231.06558	9.0
257.04639	1.2
275.05582	3.3
289.07132	2.0
292.56201	1.1
295.48935	1.0
319.04547	8.2
320.52670	1.0
323.05695	0.8
337.05637	50.0
338.05957	4.5
339.05200	1.2
359.09949	1.4
369.08221	55.2
370.08636	5.6
426.39047	1.1
457.42841	0.9
633.32184	0.9
739.16107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
55.02425	0.7
57.03447	14.2
59.01380	5.9
71.01373	7.9
72.99314	0.8
73.02966	1.2
75.00873	1.1
75.56956	0.7
83.01381	7.0
84.02167	2.3
85.02948	100.0
86.03291	2.1
89.02444	1.0
98.71706	0.7
99.00896	1.6
101.02431	1.5
103.00367	1.3
109.02958	2.7
111.00874	5.7
115.00387	0.8
117.01933	2.0
117.03430	1.2
119.05002	2.5
120.47569	0.8
127.04008	2.7
129.01942	48.4
130.02319	1.3
133.02957	8.6
134.03677	2.0
135.04529	30.6
136.04849	1.3
143.03500	1.5
144.73666	0.7
145.02936	3.0
145.05057	2.5
147.02992	35.2
154.99933	1.1
161.02435	26.4
162.02776	1.6
163.03993	2.9
173.00902	39.4
174.01157	1.4
179.03485	19.6
191.01971	30.8
192.02318	1.6
201.05615	1.5
205.03522	1.9
209.02982	1.1
219.03018	0.9
219.06615	1.5
223.04570	20.3
224.04987	1.2
247.06148	1.9
273.04150	0.8
291.05130	2.4
309.06146	1.1
335.04047	12.0
337.05911	1.2
353.05124	64.0
354.05389	5.9
369.07932	1.6
385.07629	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	739.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
57.03447	14.7
59.01377	4.8
60.37059	0.3
66.20929	0.3
68.99818	0.5
71.01379	3.5
71.04503	0.8
72.99311	0.9
75.00873	1.3
83.01387	2.6
84.02174	2.1
85.02949	100.0
86.03282	2.7
87.00865	0.8
89.02412	0.8
99.00928	0.4
99.94344	0.3
101.02433	0.8
103.00391	1.3
111.00872	3.9
115.00326	0.5
129.01944	8.4
132.80672	0.4
133.01402	0.7
134.03737	3.0
135.04510	0.4
147.03001	12.2
155.60915	0.4
173.00900	2.7
174.01233	0.4
179.03464	0.4
191.01976	80.5
192.02293	2.9
193.05020	1.7
209.03023	15.0
210.03398	0.6
213.10336	0.3
223.04666	2.9
230.02022	0.3
305.39523	0.4
353.05054	1.7
367.06677	1.5
385.07727	23.6
386.08060	2.8
392.10883	0.3
451.08160	0.4
571.32800	0.4
665.54395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
61.98829	100.0
62.98534	0.2
67.58633	0.1
67.85101	0.1
71.01389	0.2
89.02439	0.1
98.20267	0.4
101.02449	0.2
101.52058	0.1
102.02759	0.1
175.31126	0.1
197.11809	0.1
209.11757	0.1
233.38039	0.1
277.21851	0.2
278.22061	0.3
279.22330	0.1
291.23041	0.1
397.13541	0.1
398.13937	0.2
399.13931	0.4
400.14557	0.2
417.15063	0.2
418.15433	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98827	100.0
62.12615	0.1
62.98533	0.2
62.99263	0.1
71.01389	0.2
85.02977	0.1
89.02462	0.2
97.02988	0.1
98.20285	0.4
101.02468	0.2
113.02440	0.1
119.03538	0.1
125.02455	0.1
138.81618	0.1
209.11827	0.9
209.13571	0.1
253.09372	0.2
277.21820	0.2
278.22165	0.3
279.22461	0.1
293.21204	0.7
397.13559	0.1
398.14008	0.1
399.13986	0.4
400.14456	0.2
417.15271	0.1
418.15903	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53083	0.3
55.01878	0.7
57.03451	0.7
58.00601	0.4
59.01382	6.8
61.98831	4.1
64.64375	0.3
69.03454	4.5
71.01382	5.0
71.05008	1.4
72.99296	0.3
73.02943	0.7
81.03463	0.4
83.01423	0.7
83.05036	0.8
85.02941	1.6
87.00885	1.1
89.02443	1.6
95.01373	0.6
95.05051	0.3
97.02974	0.9
97.06592	1.3
98.21579	0.3
99.00886	0.5
101.02438	3.9
113.02444	2.1
119.03524	0.5
123.08167	1.4
125.09721	1.8
137.09692	0.5
145.05113	0.4
151.11285	2.8
153.12834	1.2
161.04532	0.8
161.09743	3.8
179.10788	7.2
180.11179	0.6
197.11833	37.9
198.12187	2.7
204.46443	0.4
223.09763	1.1
229.11833	0.4
233.22815	0.4
235.08231	0.7
241.10802	1.9
253.09264	2.4
259.20630	0.4
275.20154	0.5
277.21710	51.7
278.22043	4.8
325.99680	0.4
350.18234	0.3
457.40900	0.3
459.18845	1.0
460.28799	0.3
477.19742	1.1
737.41138	100.0
738.41461	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	737.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.1
60.01683	0.2
69.49554	1.0
81.03454	4.2
83.05025	12.3
100.07661	0.3
100.60334	0.1
108.04511	0.4
125.07194	0.6
126.05544	0.3
143.08247	0.4
207.15063	0.9
210.82712	0.2
224.17662	2.0
225.16069	12.1
226.16400	0.8
242.18843	0.4
250.15555	0.2
261.12634	0.2
309.21863	0.6
324.26477	0.5
333.22751	0.5
341.29190	0.6
359.43384	0.2
367.27219	1.6
433.31760	1.1
450.34528	1.0
451.32889	7.5
452.33179	1.2
550.43365	0.8
559.39758	0.4
565.44641	0.3
593.43738	0.6
659.48651	2.1
660.48724	0.5
677.49652	100.0
678.49976	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	737.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03450	0.8
59.01379	6.9
61.98841	1.6
62.56418	0.3
69.03453	3.6
70.36406	1.0
71.01384	4.9
71.05018	2.4
72.99699	0.3
73.02959	1.0
79.51163	0.3
81.03494	0.4
81.50035	0.3
81.96682	0.3
83.01351	0.7
85.02964	1.2
85.65554	0.4
87.00876	0.6
89.02448	2.2
90.57893	0.3
94.42928	0.3
95.01373	0.5
95.25925	0.3
97.02920	0.5
97.06590	0.8
99.00870	0.5
101.02430	3.6
113.02483	1.4
118.34695	0.3
119.03477	0.7
123.08175	1.7
125.09765	1.8
149.09692	0.4
151.11250	2.1
153.12842	2.3
161.04543	1.0
161.09702	2.5
179.10777	5.6
181.88278	0.3
197.11824	83.1
198.12137	4.3
205.08707	0.4
223.09775	1.1
235.08217	0.4
241.10785	3.7
253.09314	2.2
277.21716	23.9
278.22079	3.0
317.86224	0.3
459.18857	1.1
477.19739	2.5
737.41125	100.0
738.41455	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	737.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03444	10.4
58.00563	0.5
59.01380	6.4
61.79331	0.6
66.68846	0.6
68.99818	1.5
71.01382	7.7
71.51263	0.9
72.99307	2.2
75.00885	3.3
75.18114	0.5
83.01384	5.2
84.02171	3.0
85.02948	98.2
86.03265	2.8
87.00867	1.9
89.02454	1.5
99.00887	1.4
99.04534	0.9
101.02427	1.3
103.00365	2.0
111.00854	2.8
111.17358	0.6
115.00387	1.2
129.01921	5.2
133.01404	0.9
133.02928	1.9
134.03748	1.2
135.04532	7.3
143.03477	1.2
147.03001	7.5
161.02425	1.9
173.00887	2.9
177.01950	0.8
179.03485	6.6
191.01970	56.9
192.02287	1.6
209.03021	2.4
213.72067	0.7
223.04579	100.0
224.04921	4.5
239.07637	0.7
268.81107	0.6
339.04898	0.7
351.03674	0.8
351.12900	1.7
353.05222	2.2
385.07706	10.9
386.07947	0.8
533.98035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18517	0.3
54.86678	0.3
55.01860	1.2
57.03447	0.6
58.00589	1.3
59.01379	29.1
61.98822	0.4
63.56478	0.4
68.99810	0.5
69.03458	1.3
69.96622	0.3
71.01382	25.7
72.99303	2.2
73.02950	4.9
75.00864	0.8
81.03442	0.8
83.01386	3.1
85.02954	5.3
87.00878	5.4
87.04494	0.4
89.02443	20.4
91.03979	0.7
91.10868	0.4
95.01377	1.6
97.02951	4.4
99.00862	1.2
99.04537	0.5
101.02441	19.9
102.02760	0.4
109.02913	0.4
109.06571	0.4
111.00888	0.6
111.04507	0.9
112.01675	0.4
113.02444	10.2
115.03990	0.6
119.03491	6.3
121.02880	0.4
125.02441	8.4
131.03479	0.8
133.05060	0.8
137.02443	0.4
139.04031	0.8
141.01964	0.6
143.03487	3.4
149.04565	0.4
160.19122	0.4
161.04559	4.8
179.05609	4.3
207.10266	0.9
209.11838	0.9
221.06677	1.3
235.08237	10.4
245.06555	0.5
253.09238	2.8
263.07700	0.9
277.09314	0.6
279.23279	81.5
280.23615	8.3
287.07715	3.2
291.19650	1.0
293.21213	1.0
304.41263	0.4
305.08701	3.4
323.09833	1.0
379.12476	0.9
397.13489	100.0
398.13852	8.7
415.14542	31.9
416.14780	2.6
441.11142	0.4
660.51886	0.4
677.37170	2.7
678.37848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67843	0.5
55.01870	2.6
57.03448	16.3
59.01371	1.6
59.04661	0.7
61.85271	0.5
63.13905	0.6
67.01884	0.8
71.01391	4.6
71.51103	0.7
72.99310	1.4
73.02941	1.8
75.00877	1.1
83.01393	7.1
84.02159	1.9
85.02951	100.0
86.03278	1.6
87.00880	0.9
96.39205	0.6
96.95988	0.8
97.45731	0.6
99.00889	1.4
100.93516	0.5
101.02433	4.3
111.00880	25.0
117.03474	0.7
119.05032	3.9
129.01945	48.2
130.02304	1.6
133.02890	0.7
134.03726	7.4
135.04213	0.6
147.02969	1.2
161.04539	3.5
163.04012	3.9
170.43791	0.6
173.00941	3.1
175.04042	1.0
178.02647	0.8
179.03508	0.6
179.05556	0.7
187.02396	2.8
191.01945	4.3
192.88242	0.6
193.05029	6.9
205.03522	50.6
206.03857	2.4
209.03024	1.8
223.04594	24.3
223.06821	1.3
224.04823	0.9
337.05609	3.1
339.05084	2.4
353.06503	0.9
364.74478	0.7
367.06561	0.7
381.08569	0.9
399.09277	28.0
400.09656	3.2
432.68384	0.7
489.47525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.1
61.98829	100.0
62.98536	0.1
70.66318	0.1
70.66695	0.3
71.01379	0.2
74.07214	0.1
78.95945	0.1
85.02974	0.3
87.73565	0.1
116.92876	0.3
177.54929	0.1
183.37775	0.1
191.02052	0.1
191.03630	0.1
209.11823	0.2
218.76355	0.1
250.21509	0.1
314.41656	0.1
408.54367	0.1
681.95007	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03446	16.7
58.03784	0.6
59.01374	2.2
67.01891	1.8
69.03443	0.6
69.30890	0.6
69.90018	2.7
71.01382	8.1
72.99306	0.9
73.02940	1.8
74.06724	0.6
75.00865	1.4
83.01380	8.1
84.02171	2.6
85.02947	100.0
85.94805	0.7
86.03321	1.5
87.00884	0.7
89.60686	0.7
99.00890	0.8
101.02418	4.1
109.02936	0.8
111.00880	23.1
112.01199	0.9
117.03431	0.7
119.05042	7.3
124.35765	0.6
129.01939	48.9
130.02316	0.8
134.03732	8.4
137.02444	0.8
143.03578	0.7
145.03014	0.7
147.03023	1.9
149.06113	0.7
161.04570	3.1
163.04004	9.1
173.00923	4.4
175.04001	1.4
178.02690	1.0
187.02469	2.9
191.01990	5.6
193.05034	6.3
205.03514	46.5
206.03983	1.9
209.03030	2.6
223.04564	24.8
224.04953	0.7
268.62460	0.6
321.03946	0.7
337.05597	4.8
339.04996	3.2
353.06689	1.1
367.06635	0.8
369.08170	1.2
399.09274	28.6
400.09537	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	735.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
58.00589	0.2
59.01074	0.3
59.01376	5.4
61.98817	0.3
63.65084	0.2
69.03457	1.7
71.01381	3.0
71.05016	0.6
71.40800	0.4
72.99318	0.2
73.02943	0.8
83.01382	0.4
83.05016	0.5
85.02939	0.7
85.06634	0.2
87.00874	0.6
89.02440	2.3
91.04024	0.2
93.03436	0.3
95.01376	0.2
95.05019	0.7
97.02952	0.2
97.06615	0.2
99.00868	0.2
101.02435	3.4
108.05805	0.3
109.06593	0.6
109.32284	0.2
111.08150	0.3
113.02441	1.8
113.09673	0.2
119.03513	0.7
125.02458	0.2
125.09676	0.3
125.86219	0.2
126.90533	0.2
129.89862	0.2
135.11798	0.4
141.09204	0.3
143.03461	0.3
145.05046	0.5
149.09747	0.4
149.52490	0.2
161.04530	1.4
161.13316	0.2
167.10771	2.7
177.12825	0.8
179.05583	0.8
179.10782	1.1
179.14403	3.2
180.14677	0.3
195.13890	14.1
196.14313	1.2
198.19073	0.2
198.51604	0.2
205.12321	9.6
205.15697	0.4
206.12708	0.5
211.13348	0.5
223.13382	100.0
224.13730	7.0
225.14853	0.5
228.13643	0.5
231.21156	0.3
235.08217	3.7
236.08536	0.2
237.02490	0.2
249.22202	0.3
253.09279	17.6
254.09630	0.8
256.13339	0.9
265.21634	0.3
275.20169	4.5
276.20413	0.4
293.21219	83.3
294.18225	0.4
294.21536	8.1
441.21338	0.6
444.15671	0.2
459.22348	13.1
460.22650	2.1
492.22318	0.4
499.34003	1.0
501.01480	0.2
529.30145	2.0
530.30396	0.3
666.36743	0.4
698.35529	0.4
735.43408	1.7
736.43604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34792	0.2
59.01366	0.6
61.98830	100.0
62.43566	0.2
71.01394	0.3
116.92881	0.5
126.90584	0.5
134.89508	0.4
152.26271	0.3
164.22017	0.4
171.10229	1.6
206.99165	0.3
223.13516	0.4
281.29840	0.3
341.23575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
56.15622	0.5
57.03446	13.8
59.01372	8.8
61.98798	0.5
68.99813	1.7
69.07599	0.5
70.26329	1.9
71.01379	9.6
72.99306	2.5
73.02964	0.7
74.13580	0.5
75.00870	3.6
83.01372	5.4
84.02157	2.9
85.02948	99.4
86.03260	2.3
87.00863	1.4
89.02451	1.8
99.00874	1.9
99.04507	3.0
101.02441	2.4
103.00367	1.7
111.00911	2.5
111.81425	0.5
112.56127	0.5
114.25420	0.5
115.00346	1.2
115.37030	0.5
119.05022	9.1
120.05360	0.8
125.02426	1.3
127.39095	0.5
129.01962	4.8
133.01414	1.7
143.03488	2.2
145.02983	1.0
147.03011	7.4
156.58646	0.5
163.04013	11.4
164.04352	0.8
173.00896	3.0
191.01965	54.8
192.02267	2.1
221.10269	1.8
223.04575	100.0
224.04906	4.1
323.07629	0.9
337.05740	3.4
365.14334	3.1
369.08234	10.0
370.08698	1.2
695.57678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.0
59.01374	8.8
61.98827	8.1
69.03440	1.5
70.64348	2.5
70.64705	2.8
71.01369	8.6
73.02950	1.3
80.02647	1.3
83.05018	3.1
85.02944	5.2
86.66726	1.6
89.02449	3.8
90.50785	1.4
95.04998	1.8
97.06591	19.2
98.20507	2.2
101.02441	5.8
101.35490	1.3
112.12257	1.4
113.02425	3.8
116.92853	4.0
123.08163	8.3
125.09724	100.0
126.10047	4.3
126.90496	1.9
127.03967	1.5
127.07668	1.7
134.89496	1.3
143.10765	1.4
153.09212	2.1
163.11346	1.5
169.08708	2.5
171.10284	11.6
181.21022	1.3
185.01163	1.4
185.11845	5.1
187.09753	68.2
188.10141	2.7
191.01917	1.4
197.11823	4.2
209.11829	18.5
235.08217	3.3
253.09262	5.7
289.18057	2.8
307.19153	12.5
325.20038	2.2
327.22003	1.3
341.23227	3.2
405.17453	5.1
423.18671	12.3
424.18979	1.6
543.27814	3.6
713.37457	25.0
714.37354	6.0
731.38599	89.4
732.39008	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	731.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36487	0.6
55.01882	2.1
57.03448	12.1
58.00595	0.6
59.01382	7.4
68.99818	0.7
71.01380	5.6
72.99299	2.1
73.02945	1.1
75.00876	2.0
78.95891	0.7
83.01376	3.8
84.02168	2.4
85.02950	100.0
86.03288	2.2
87.00857	1.2
89.02428	2.4
101.02438	3.9
103.00382	1.5
107.05027	4.1
111.00882	6.3
113.02447	1.2
113.03607	0.6
115.00380	1.1
115.34504	0.5
116.07153	1.1
116.85155	0.5
117.03484	0.9
119.03487	1.4
119.05024	0.7
121.02965	5.5
123.00883	1.8
127.05167	1.4
128.03546	6.6
129.01947	18.4
129.03781	0.7
130.02246	0.8
134.03699	1.0
135.04529	9.7
137.02470	0.6
138.03223	2.9
145.01357	0.5
145.03001	2.5
147.02997	22.2
153.05595	5.8
157.33015	0.5
163.03999	1.3
165.01883	0.8
166.99811	1.3
172.35156	0.6
173.00917	5.8
182.02208	5.5
183.11394	2.1
191.01979	45.8
192.02377	1.4
196.03735	1.1
197.04550	23.7
198.04832	0.7
209.03006	6.3
211.06078	0.8
222.05289	0.6
223.04358	0.8
224.03130	0.7
227.10358	1.4
239.05623	3.3
246.92877	0.6
265.07193	1.8
267.12302	0.7
293.06653	1.9
299.07556	0.8
315.08597	4.2
327.07248	2.6
337.05579	1.7
345.08301	0.9
357.10297	0.6
359.09802	17.0
360.10132	1.5
371.06180	1.5
377.08817	6.3
388.32153	0.6
474.70975	0.5
533.11987	0.6
539.13831	3.8
551.11328	0.7
597.32635	1.1
598.32928	1.1
712.35236	1.9
713.35620	2.1
730.36255	0.6
731.16876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03451	12.7
57.90194	0.4
59.01380	1.4
67.01862	0.4
68.99818	0.7
71.01392	3.3
72.99312	0.7
73.02945	0.4
75.00866	1.2
75.55071	0.4
81.85402	0.4
83.01388	4.4
84.02164	1.2
85.02950	100.0
86.03299	1.9
86.36888	0.4
87.00869	1.2
95.01381	0.7
98.20690	0.8
101.02444	0.8
111.00877	12.4
115.00357	0.5
121.02953	7.1
123.00893	9.2
127.00376	0.5
129.01950	46.9
130.02217	1.3
136.98772	0.5
137.02434	0.6
138.03238	11.4
139.00388	1.8
147.03008	8.9
153.02017	0.6
153.05589	9.7
154.05902	0.5
166.99884	5.1
173.00917	17.0
174.01192	0.6
179.03459	0.6
182.02222	14.6
191.01967	5.8
196.03761	0.8
197.04550	38.6
198.04877	1.4
201.01602	0.4
207.02884	0.5
209.03088	0.9
211.06187	0.6
222.05309	1.1
237.07640	1.5
265.07178	8.7
309.05911	0.8
320.83932	0.4
327.07187	15.6
328.07471	1.3
353.05145	1.2
359.09845	7.5
360.10306	0.6
371.06110	5.5
372.06491	0.7
375.03226	0.6
377.04724	0.6
427.12497	1.1
489.12653	1.2
533.11572	2.8
551.12726	2.3
552.12555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.26675	14.2
67.57524	16.4
71.51294	16.8
71.75982	14.7
77.75756	13.7
122.25740	18.1
169.66847	15.4
188.18697	14.8
197.11806	27.8
206.75677	15.0
221.72969	15.2
248.55806	15.5
596.61859	19.8
665.77808	17.5
729.41534	16.4
747.37128	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	731.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03450	11.7
59.01379	5.2
59.91272	0.6
63.53027	0.7
68.99813	0.9
71.01386	4.3
71.51137	1.0
72.99313	1.0
74.60356	0.6
75.00871	2.3
77.09941	0.6
79.85538	0.6
80.47655	0.6
82.02084	0.7
83.01392	2.3
84.02169	2.5
85.02950	100.0
86.03285	2.9
87.00904	1.1
89.02453	1.3
91.51640	0.6
96.96027	0.8
101.02427	0.9
111.00893	4.9
115.00384	0.8
118.34793	0.7
123.04518	1.2
129.01945	10.0
133.01427	1.9
135.04517	0.8
141.78609	0.6
145.90396	0.6
147.03003	13.7
167.03433	3.1
173.00882	3.7
185.08978	0.6
191.01965	40.2
192.02353	0.8
202.65593	0.7
209.03017	54.9
210.03378	2.7
211.03395	0.9
230.12421	0.6
287.25659	0.6
341.05118	2.1
359.06186	39.2
360.06683	3.2
371.06107	5.7
403.06128	0.7
550.38245	0.7
590.98401	0.7
649.14325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60702	2.3
57.03448	5.0
59.01365	9.4
59.27797	3.0
61.98833	21.5
69.03461	2.4
69.17126	7.4
69.17542	14.8
71.01371	6.9
77.29538	2.3
79.72343	2.1
83.05032	5.2
85.02962	9.4
89.02445	3.2
96.18521	2.0
97.06591	10.2
97.84225	2.2
98.20695	5.3
101.02435	6.5
112.93807	2.4
116.92838	12.0
123.08169	6.8
125.09722	53.6
126.90512	2.6
129.01927	3.6
135.08067	2.2
139.48698	2.6
163.11359	3.1
171.10393	4.1
185.11819	10.2
187.09726	27.6
191.01888	2.7
195.13828	3.5
197.11887	4.6
201.11319	7.1
205.12292	3.1
209.11807	100.0
210.12173	4.7
223.13365	34.7
224.13837	3.3
227.12825	10.1
227.59508	2.2
235.08286	4.7
253.09261	12.0
287.16547	2.6
288.47952	2.6
305.17477	8.4
307.19205	5.5
334.06152	2.5
405.17661	3.5
423.18433	6.0
541.26270	4.1
571.32208	2.3
629.35089	5.5
711.35779	40.0
712.36212	8.4
729.36957	29.3
730.37433	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	729.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03448	16.7
59.01387	3.5
62.62572	0.8
69.26845	5.5
69.27260	1.7
71.01379	2.4
72.99297	1.7
83.01376	5.1
84.02155	2.5
85.02950	100.0
86.03287	2.5
98.19958	1.8
98.20614	1.2
99.00916	1.1
103.00404	0.9
107.05041	1.0
109.02961	6.3
111.00883	2.7
114.01966	0.8
117.03450	1.1
119.05042	1.1
121.02973	1.0
123.00633	1.0
129.01941	66.9
130.02272	2.2
132.02130	0.8
133.02957	17.3
134.03757	5.6
135.04527	54.5
136.04825	2.4
137.02480	1.0
147.03000	49.9
147.04471	3.5
148.03299	1.0
151.00116	7.9
154.95836	0.7
154.99893	2.4
159.04567	0.8
161.02440	76.3
162.02823	4.5
163.00098	1.5
163.04071	1.0
173.00908	57.7
174.01225	1.8
175.04004	7.5
176.04575	0.8
177.05424	0.8
179.03487	31.1
180.03830	1.3
189.01688	2.7
191.02019	6.8
191.03540	1.0
192.04295	1.0
194.99077	6.1
201.01695	8.2
201.05579	5.1
203.03452	1.0
203.06979	0.8
209.03014	2.8
214.99759	1.1
215.03271	12.9
216.03564	1.5
219.02953	1.2
219.06595	2.3
241.04845	1.6
243.02722	4.2
247.06114	3.2
261.04065	0.8
269.04260	4.5
270.04752	1.2
273.04077	1.9
291.04987	2.5
309.06149	2.0
331.04303	2.8
335.04080	15.0
336.04364	1.6
353.05118	87.6
354.05493	7.9
357.02267	10.5
375.03311	73.0
376.03714	7.5
540.91693	1.2
691.62018	0.9
694.71680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
57.03442	10.9
59.01385	3.2
66.28284	1.2
67.68430	1.2
71.01375	18.9
72.99315	1.5
75.00879	10.2
75.30003	1.2
83.01382	1.4
84.02166	5.7
85.02950	88.2
86.03265	1.6
107.83286	1.0
111.00651	2.7
129.01929	4.8
133.02963	18.0
134.03712	2.5
135.04517	12.2
136.04936	1.2
139.00117	2.5
147.02960	14.9
151.00246	1.1
158.62845	1.4
161.02440	100.0
162.02776	4.4
169.01163	7.6
179.03467	8.9
189.01761	1.7
191.01967	63.6
192.02362	2.5
197.45692	1.1
201.01721	6.5
209.03003	4.1
211.03342	1.4
213.00275	1.6
233.04430	1.6
309.06082	6.9
310.06763	1.5
331.04349	93.9
332.04654	8.4
353.05099	5.4
357.02258	3.9
375.03290	39.1
376.03796	2.5
393.04422	1.7
396.28891	1.0
567.06085	5.5
729.08826	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	728.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
61.98831	100.0
71.01421	0.1
96.77899	0.1
116.92875	0.1
197.11839	0.1
198.12221	0.1
210.44072	0.1
223.13460	0.4
224.13664	0.4
225.14061	0.2
226.14299	0.1
229.47360	0.1
258.79352	0.1
258.98917	0.1
309.20862	0.1
310.21237	0.1
450.15857	0.1
585.89368	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03451	11.2
58.00614	0.4
59.01382	5.6
68.99823	0.6
69.59930	1.3
69.60342	1.3
71.01379	6.1
72.99306	1.0
73.02949	0.7
75.00872	1.8
83.01391	1.9
84.02163	2.1
85.02951	79.3
86.03297	1.8
87.00890	1.3
89.02440	1.6
89.97556	0.4
93.17843	0.3
98.20018	1.0
98.20557	0.5
101.02441	0.8
103.00367	1.0
106.56940	0.5
111.00866	4.1
115.00370	0.9
119.05019	0.6
124.45999	0.4
129.01950	6.7
133.01414	3.7
135.04535	1.1
147.02985	7.1
163.04005	1.0
173.00891	1.8
179.03397	0.6
191.01971	39.4
192.02267	1.6
209.03023	100.0
210.03355	4.1
211.03374	0.4
353.05283	0.6
355.06680	11.9
356.07089	0.8
371.06168	7.8
372.06613	0.8
377.04501	0.4
482.60596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
59.01376	7.3
61.98834	7.1
69.03457	1.3
71.01383	6.4
72.23315	0.8
73.02918	1.5
75.00882	1.4
75.98296	0.8
85.02959	1.4
87.00890	0.8
89.02451	3.2
97.06606	1.1
98.20722	1.2
99.00853	0.8
101.02443	4.0
101.52023	0.7
110.25121	0.7
113.02479	2.2
123.08194	1.0
125.09715	3.1
130.59108	0.7
136.48674	0.8
139.11252	2.0
141.12862	2.4
145.56990	0.8
149.09703	0.8
161.04514	1.1
167.10779	2.5
171.10245	2.4
185.11819	100.0
186.12201	5.8
201.11319	2.0
211.09778	1.0
211.13321	0.9
229.10826	2.3
253.09227	3.9
277.21710	28.8
278.22058	3.1
370.54059	0.8
385.36487	0.7
465.19678	3.2
480.00269	0.8
559.15161	0.9
725.41125	94.0
726.41461	24.0
726.54108	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43476	1.9
56.02322	1.8
57.03442	3.2
59.01364	6.1
61.98835	15.6
67.46301	1.7
71.01379	5.1
71.51469	1.8
73.02888	1.9
75.14448	2.0
77.39366	1.5
83.05020	2.3
101.02478	3.2
113.02525	2.4
119.96680	1.7
121.40398	1.7
123.84106	1.6
125.09715	4.3
139.11281	3.5
145.35832	1.9
175.53123	1.8
180.83138	1.6
185.11823	44.0
186.12212	3.4
209.11855	14.7
210.12154	7.9
211.12460	2.0
253.09337	6.2
277.21701	60.6
278.22073	12.3
360.70477	1.9
441.60141	2.0
725.41144	100.0
726.41412	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	725.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01380	11.2
61.08634	0.2
61.98833	1.6
66.75984	0.2
69.03458	2.1
71.01379	2.9
71.05024	1.1
73.02948	0.7
83.01392	0.6
83.05038	0.5
85.02956	0.9
85.06586	0.5
87.00880	0.8
89.02449	2.5
91.40804	0.3
93.03469	0.5
95.01421	0.3
95.05070	0.5
97.02953	0.5
97.06571	0.4
101.02448	2.9
109.06599	0.7
111.08188	0.3
113.02457	1.7
119.03493	0.6
123.08159	0.3
125.02422	0.3
125.09747	0.8
135.11794	0.4
141.09225	0.4
141.12851	0.4
143.03505	0.4
145.05049	0.4
149.09705	0.5
151.11314	0.3
153.09343	0.3
153.12904	0.3
161.04581	1.5
161.13431	0.5
163.11296	0.3
165.12869	0.5
167.10789	2.9
169.12332	2.8
171.10275	0.3
177.12793	0.7
179.05525	0.7
179.10774	1.4
179.14418	3.4
181.12369	0.2
185.11887	0.3
193.15987	0.3
195.13896	8.9
196.14221	0.6
197.11827	37.2
198.12180	1.9
205.12325	10.1
206.12672	0.7
213.11267	0.3
223.13390	100.0
224.13739	6.9
235.08235	3.8
247.20743	1.0
253.09256	7.2
254.09477	0.4
273.18802	0.3
291.19659	11.7
292.20081	1.3
293.21164	0.6
309.20709	16.0
310.21152	1.2
411.25351	0.9
414.01346	0.3
429.26428	0.8
433.20874	1.6
434.21045	0.5
441.21356	2.4
442.21576	0.3
459.22366	16.7
460.22598	1.9
527.29144	0.3
595.31055	0.6
617.70325	0.2
621.32013	0.5
647.34375	3.0
648.34784	0.7
665.35376	3.8
666.35876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15887	0.3
57.03445	2.0
59.01379	9.7
61.21734	0.3
61.98828	1.8
69.03454	1.2
70.99686	0.6
71.01378	8.7
72.99311	0.7
73.02941	1.2
79.84969	0.3
81.03430	0.5
83.01382	1.0
83.04997	0.4
84.02172	0.3
85.02953	9.5
87.00874	1.4
89.02444	6.9
91.04002	0.3
95.01389	0.3
95.05018	0.4
96.95997	0.7
97.02960	1.8
97.06594	2.9
99.00890	0.5
101.02448	5.9
113.02444	2.8
116.92869	1.1
119.03523	1.5
121.06663	0.3
125.02441	1.8
125.09723	1.0
127.11261	1.3
129.01974	0.4
131.03461	0.4
137.09724	1.1
143.03505	0.6
151.59851	0.3
155.10783	0.6
155.14415	0.5
161.04558	1.4
165.12857	0.5
165.95795	0.3
167.14409	0.7
171.10269	16.7
172.10612	0.7
177.12860	0.7
179.05609	2.0
183.13919	2.9
185.11812	1.1
191.01947	0.6
193.12306	0.7
197.11844	0.5
201.11322	0.8
203.10677	0.5
209.03046	0.8
209.11774	1.5
211.13382	14.7
212.13722	1.0
221.06795	0.4
221.11842	2.7
224.31538	0.3
227.03554	0.6
229.14429	10.5
230.14835	0.7
235.08131	1.5
239.12856	1.6
255.02988	0.5
263.07806	0.5
284.03326	1.1
291.19687	2.7
309.20798	1.5
323.09875	0.4
327.21744	100.0
328.22101	10.0
397.13403	2.7
415.14551	29.0
416.14828	2.4
503.33536	1.0
521.33545	0.5
665.37701	2.2
666.37830	0.4
683.38562	1.4
725.17401	0.6
725.21973	0.5
725.36011	7.3
726.36157	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
57.03451	1.7
58.00587	0.3
59.01377	8.9
61.98816	0.9
67.01868	0.2
69.03453	1.6
69.54243	1.5
71.01376	7.3
72.99292	0.9
73.02954	1.1
75.00883	0.2
80.02685	0.2
81.03455	0.3
83.01395	1.0
83.05014	0.5
84.02171	0.3
85.02950	8.1
87.00874	1.2
88.98827	0.2
89.02452	6.5
95.01389	0.4
95.05019	0.5
96.95996	0.6
97.02953	1.7
97.06591	2.5
99.00921	0.4
101.02444	4.8
103.34206	0.2
111.00885	0.3
113.02444	2.6
119.03501	1.6
119.08638	0.4
125.02450	1.8
125.09707	0.9
126.90572	0.3
127.07732	0.3
127.11254	1.6
127.45963	0.3
129.01917	0.4
131.03490	0.3
135.04552	0.2
137.09712	1.5
138.43365	0.2
143.03531	0.8
146.49210	0.2
147.03000	0.3
149.04420	0.2
154.51996	0.2
155.10765	0.8
155.14381	0.4
161.04527	1.0
163.11266	0.3
165.12837	0.7
167.14397	0.7
171.10262	16.9
172.10590	0.7
175.11200	0.3
177.12842	0.9
179.05592	2.1
183.13893	2.4
185.04660	0.2
185.11873	1.0
191.01971	0.7
193.12338	0.9
195.13831	0.4
197.04436	0.3
197.11855	0.6
201.11302	0.7
209.03018	0.3
209.11862	1.2
211.13388	14.8
212.13692	0.8
221.06685	0.7
221.11824	2.4
222.12216	0.4
227.12868	0.3
229.14432	10.8
230.14803	0.8
235.08241	1.3
239.12866	1.8
247.20775	0.3
253.09193	0.7
269.69894	0.2
291.19614	2.7
292.19934	0.4
297.27249	0.2
305.08942	0.3
309.20639	1.4
310.20981	0.2
311.19141	0.2
323.09811	0.6
327.21744	100.0
328.22079	10.3
328.26047	0.4
397.13519	2.2
415.14566	27.1
416.14941	2.1
463.88983	0.3
545.29590	0.4
665.37476	0.3
725.23309	0.4
725.36023	6.6
726.36780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78384	3.9
59.01367	17.0
61.98826	30.1
68.07159	3.7
71.01363	13.6
71.29279	11.3
73.02927	6.9
85.02958	21.4
89.02467	4.4
96.96012	6.7
99.92529	4.0
101.02426	7.9
105.32056	4.0
113.02485	4.0
114.93371	4.4
116.92863	51.4
117.92815	4.2
125.02387	6.1
126.90508	100.0
165.12794	7.4
180.48601	3.8
190.17586	3.9
191.01962	5.7
191.08983	3.7
192.58690	4.4
207.10234	8.6
209.02989	8.5
209.11812	12.0
225.11150	4.5
291.19647	59.7
292.20032	6.7
318.50778	5.1
397.13507	39.4
398.13965	4.7
415.14679	23.4
689.34711	8.1
725.31525	67.8
726.31787	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
59.89711	0.2
61.98825	1.2
66.72533	0.2
71.01382	4.2
71.42963	0.4
73.02960	1.1
77.72575	0.2
80.02685	1.0
81.03448	1.0
81.24992	0.2
81.79469	0.2
83.01405	0.6
83.05025	3.8
84.02176	0.6
85.02956	1.2
87.00887	0.9
89.02444	2.1
95.01374	0.3
95.05020	0.4
97.06610	0.4
99.04501	0.2
101.02448	3.3
113.02434	1.6
119.03503	0.6
125.06095	0.2
125.15176	0.2
129.02034	0.2
133.05048	0.3
135.08167	0.5
143.03391	0.3
145.05051	0.7
161.04553	1.5
163.11275	2.8
165.12868	1.7
181.12372	0.5
183.13727	0.3
191.10765	0.7
195.13979	0.3
209.11829	74.5
210.12163	5.0
211.13388	4.7
212.13918	0.2
227.12900	9.1
228.13261	0.6
235.08241	6.2
253.09283	11.0
254.09573	0.4
259.20511	0.5
275.20175	0.4
277.21716	100.0
278.22058	10.9
293.21237	3.2
294.21582	0.4
334.05154	0.2
439.92841	0.2
445.20810	0.6
447.22116	0.4
513.30438	0.4
578.51569	0.3
723.40845	0.3
748.76807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.1
57.03432	0.2
59.01379	2.9
61.98833	0.6
63.82352	0.1
71.01378	2.4
71.05025	0.1
72.99299	0.1
73.02914	0.2
80.02677	0.9
81.03459	1.2
83.01391	0.4
83.05025	4.7
84.02150	0.6
85.02942	0.6
87.00844	0.3
89.02438	1.7
89.02962	0.2
95.01402	0.2
95.05018	0.4
97.02911	0.1
97.06582	0.3
98.19901	0.3
101.02435	2.0
109.06580	0.2
113.02460	1.0
116.12624	0.1
116.43296	0.1
119.03469	0.5
125.06073	0.3
125.09694	0.1
135.08121	0.5
140.79613	0.1
143.03569	0.2
145.04997	0.1
147.11722	0.2
153.12843	0.1
161.04568	0.9
163.11276	3.5
163.12566	0.2
164.11588	0.2
165.12843	2.2
179.05626	0.3
181.12338	0.4
191.10796	1.1
209.11813	100.0
210.12151	6.4
211.13361	0.8
227.12874	9.3
228.13187	0.7
235.08232	1.2
253.09247	6.8
254.09665	0.4
259.20526	0.2
275.20157	0.2
277.21704	47.7
278.22058	4.6
293.21112	0.4
445.20700	1.1
446.20847	0.2
568.84668	0.1
723.42584	0.2
742.91858	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01379	4.6
61.98829	2.1
65.36923	0.3
69.03448	0.7
71.01385	2.4
71.51200	0.5
73.02945	0.7
81.92482	0.3
83.01341	0.4
83.04992	0.3
85.02939	0.9
87.00886	0.7
89.02457	1.9
101.02449	2.4
113.02431	1.4
119.03495	0.8
124.36745	0.3
161.04533	1.2
167.10712	0.5
167.14352	0.4
179.14355	0.5
183.12399	0.5
183.13911	5.8
184.14412	0.3
193.12276	1.4
195.13889	4.9
196.14438	0.7
197.15147	0.3
205.12375	0.5
211.13387	100.0
212.13724	6.2
223.13437	3.2
228.13571	0.5
235.08212	3.5
239.12743	0.4
253.09274	13.1
254.09605	0.8
256.13235	0.8
257.32996	0.3
275.20175	4.3
277.21652	0.4
293.21231	56.7
294.21555	5.4
432.77618	0.3
447.22345	5.9
448.22620	0.6
487.34109	0.7
529.30273	1.3
723.39929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32951	0.5
57.03444	1.6
58.00578	1.9
59.01377	28.4
61.98822	0.9
69.03445	1.3
69.42090	2.2
69.42498	1.2
71.01382	25.7
71.05004	1.6
72.01717	1.0
72.79764	0.5
72.99297	2.1
73.02948	3.7
75.00851	0.6
80.02672	1.3
81.03454	2.0
83.01384	2.7
83.05020	4.9
84.02158	1.9
85.02946	7.7
87.00871	4.4
89.02441	21.0
91.04025	0.4
93.03477	0.5
95.01363	1.8
95.05032	1.8
97.02950	2.9
97.06579	1.8
98.03737	0.7
98.62710	0.5
99.00874	1.0
99.04514	1.9
99.08122	1.2
99.92564	0.6
101.02440	17.5
108.02184	0.4
109.02976	1.2
109.06586	1.6
111.00915	0.6
111.08179	0.7
112.05293	1.4
112.46155	0.5
113.01717	0.8
113.02450	9.3
115.07652	2.0
116.58735	0.5
116.92855	1.8
118.13255	0.6
119.03505	6.2
121.02946	1.0
123.00899	0.8
123.04525	0.8
123.08128	1.1
124.01628	0.6
125.02444	4.7
125.06055	1.4
125.09716	5.9
126.90550	0.6
127.07644	4.8
127.11269	0.8
127.66064	0.5
130.01875	0.5
131.03484	0.7
135.08127	3.3
137.09714	1.1
138.06879	0.8
139.04039	0.6
139.07626	1.0
141.01945	1.3
141.09206	1.1
143.03535	2.4
147.03046	0.5
149.09744	0.7
151.11243	0.9
153.09212	17.2
153.12933	0.6
155.10774	1.8
161.04587	3.3
163.11311	3.5
165.12875	2.6
167.03491	0.7
171.10262	26.7
172.10632	1.1
178.09961	3.6
179.05611	4.7
179.10629	0.6
181.12349	1.0
185.04533	0.8
185.11818	7.2
186.12106	0.6
191.01915	0.6
191.10762	1.8
191.14424	1.7
197.11827	9.1
198.12167	0.7
207.10316	0.9
209.11812	72.3
210.12167	4.8
221.06699	1.8
221.11746	0.6
227.12868	2.2
235.08224	4.1
235.10281	0.6
236.10684	1.3
237.11461	0.5
238.12105	3.6
239.16548	0.8
245.19101	4.2
253.09216	1.7
253.18149	1.2
256.13074	1.3
263.07727	0.7
263.20166	1.7
265.18112	0.8
279.19547	1.5
281.21194	0.5
287.07779	0.6
289.18069	13.4
290.18338	1.4
297.20648	2.6
305.08698	0.9
307.19128	100.0
307.75369	0.6
308.19482	9.0
323.09753	1.5
325.20169	58.1
326.20505	5.8
397.13486	32.2
398.13934	3.1
415.14551	33.7
416.14755	2.5
501.19312	1.3
569.24200	2.3
636.26184	5.1
641.93134	0.5
705.33368	35.4
706.33514	6.7
723.34528	17.6
724.34937	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15100	0.4
53.26669	0.5
55.01876	1.3
57.03440	1.6
58.00602	1.2
58.35962	0.5
59.01379	28.2
61.98822	2.2
69.03460	1.1
69.69332	2.9
71.01379	21.0
71.05019	1.6
71.42133	0.5
72.99308	1.8
73.02949	4.4
75.00872	0.6
80.02684	1.2
81.03458	1.5
83.01391	2.3
83.05014	4.3
84.02155	1.4
85.02947	8.1
87.00886	3.9
89.02448	17.0
90.92646	0.5
93.03455	0.6
95.01395	0.7
95.05035	1.6
96.96006	0.7
97.02945	2.9
97.06605	1.7
99.00879	1.5
99.04527	1.5
99.08107	1.3
101.02443	16.3
109.06561	0.9
111.00912	0.5
111.08144	1.2
112.05288	1.3
113.02448	7.5
113.09757	0.6
115.07636	2.2
116.92847	1.7
119.03485	5.5
121.02960	0.8
123.04510	1.0
123.08105	1.0
125.02458	3.9
125.06080	1.1
125.09723	5.8
126.10081	0.5
126.90506	1.0
127.07668	5.9
127.11272	1.1
131.03542	0.9
135.04544	0.8
135.08167	2.9
137.02435	0.7
137.09732	1.0
139.03975	0.9
139.07640	1.3
141.09239	0.7
141.10692	0.5
143.03468	2.9
149.04573	0.8
151.11287	0.6
153.09209	18.8
154.09557	0.9
155.10762	1.8
161.04596	3.4
163.11276	3.1
165.12845	2.7
171.10254	27.3
172.10599	1.4
178.10027	3.9
179.05586	4.8
179.10632	0.7
181.12395	1.1
185.11815	7.1
186.12221	0.6
191.01976	0.6
191.10735	1.4
191.14384	2.2
197.11827	8.2
198.12227	0.6
207.10197	0.8
209.11810	77.1
210.12119	3.4
211.13329	0.7
221.06650	2.0
227.12874	1.9
235.08226	5.0
236.10515	1.5
237.11227	0.8
238.12059	3.3
245.19096	3.9
251.16304	0.6
253.09299	1.8
256.13208	0.9
263.07745	1.0
263.20090	1.9
265.18082	0.8
279.19574	1.8
281.21078	0.6
287.07629	0.7
289.18097	12.7
290.18411	1.7
297.20700	3.2
305.08817	1.0
307.19125	100.0
308.19501	9.9
323.09753	0.8
325.20166	60.7
326.20520	6.1
397.13467	32.2
398.13687	2.4
415.14536	32.1
416.14966	2.3
525.27527	0.8
543.27686	0.7
569.24432	2.7
636.26263	4.3
637.26227	1.0
678.51666	0.6
705.33374	36.5
706.33813	7.1
723.34613	15.2
724.34680	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	723.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
56.02220	0.8
57.03448	15.4
59.01365	2.0
65.93933	0.6
69.92204	1.7
69.92619	2.3
71.01390	4.0
71.92770	0.7
72.99308	1.9
83.01387	6.1
84.02160	2.6
85.02952	100.0
86.03286	1.9
89.02380	0.8
96.96014	0.8
98.19872	0.8
98.20450	1.2
101.02452	0.8
105.03452	0.8
107.05046	0.9
109.02955	3.2
111.00864	3.7
117.03491	1.5
119.05032	2.0
121.02950	1.4
123.04545	1.5
125.02425	0.8
129.01949	51.9
130.02292	1.8
133.02957	16.3
134.03725	2.2
135.04527	29.5
136.04858	0.8
145.02942	3.1
147.02998	40.1
148.03375	1.2
154.99924	1.9
159.04558	1.1
161.02441	31.9
162.02841	1.8
163.04042	2.9
173.00917	47.0
173.05963	1.0
174.01311	1.8
174.03165	1.4
175.03993	0.7
177.01932	1.2
179.03506	21.1
188.04881	0.7
189.05592	1.5
191.01968	18.0
195.03008	2.4
201.05547	4.9
203.03554	0.8
205.03491	1.3
209.03052	6.3
215.03442	1.1
217.05058	1.0
219.06590	1.8
221.95087	0.8
223.04588	2.8
229.05234	0.9
245.04549	4.8
247.06111	2.1
261.03986	1.0
291.05234	2.5
295.06134	1.2
302.22971	0.7
307.06003	1.4
315.33429	0.7
321.03931	1.0
335.04065	10.8
337.05615	1.0
339.05063	6.6
340.05643	0.8
351.03610	2.2
353.05127	63.3
354.05563	5.9
357.09753	1.1
369.04617	7.1
369.72311	0.7
381.06213	0.7
383.27182	0.7
407.08017	0.8
474.03116	0.8
513.07117	2.5
571.78540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03448	9.4
58.85998	0.2
59.01380	3.1
68.99815	0.7
71.01379	2.1
71.51178	0.3
72.99305	0.7
75.00854	0.6
79.94854	0.2
83.01370	1.7
84.02164	2.6
85.02949	84.6
86.03279	2.1
87.00860	0.2
99.00880	0.4
103.00370	0.9
111.00864	1.1
115.00372	0.2
117.03463	4.8
118.03741	0.2
119.05032	1.6
129.01938	3.6
133.02960	0.5
135.04529	1.5
145.02953	16.4
145.98277	0.2
146.03270	0.8
147.02995	13.4
148.03331	0.5
161.02431	1.3
163.03984	0.8
173.00908	2.8
179.03470	1.0
191.01968	100.0
192.02313	3.5
200.59062	0.2
209.02957	0.9
223.04572	9.1
293.06696	3.5
321.03854	0.3
335.03992	0.7
337.05624	9.2
338.05972	0.7
339.05127	0.9
353.05093	4.7
354.05530	0.3
385.07727	1.9
513.06787	0.6
546.84625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
57.03447	11.1
59.01380	2.9
68.99812	0.7
71.01370	4.5
72.99316	2.5
75.00851	0.9
83.01385	3.2
84.02154	2.4
85.02947	100.0
86.03290	1.9
86.94254	0.3
98.19865	1.0
99.00929	0.5
103.00364	1.2
111.00867	4.5
117.03471	4.4
119.05018	5.6
129.01947	10.2
135.04509	1.6
143.03497	1.1
145.02948	27.1
145.89812	0.5
146.03278	1.1
147.02988	36.6
148.03360	1.3
163.04002	7.9
173.00897	5.4
179.03500	1.2
187.07544	0.8
191.01955	22.9
192.02382	0.8
205.03497	1.2
209.03053	1.1
223.04573	16.3
228.91899	0.4
231.06601	0.9
255.84367	0.5
293.06656	27.1
294.07065	2.0
317.18054	0.4
337.05618	26.1
338.05850	2.4
339.05103	1.7
353.05109	2.1
385.07840	1.3
479.25018	0.6
585.32623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43682	0.5
57.03438	1.1
58.00595	1.3
58.88783	0.5
59.01380	23.9
61.98822	2.4
63.30766	0.7
69.03448	1.9
71.01382	20.1
71.05022	0.6
72.99291	1.0
73.02940	2.5
77.66000	0.6
80.02682	0.9
81.03454	3.2
83.01385	2.2
83.05032	7.8
84.02133	0.9
84.05374	0.6
85.02943	5.3
87.00893	4.0
89.02451	16.5
93.03439	0.5
95.01402	1.4
95.05031	1.8
96.95982	0.9
97.02967	3.0
97.06602	2.2
99.00865	1.7
99.04556	0.7
101.02444	12.9
107.05035	6.8
109.06600	2.8
110.03767	0.9
111.00871	0.8
113.02461	6.7
113.06102	0.9
115.77950	0.6
116.92856	2.3
119.03524	3.8
121.02958	1.8
123.04513	0.9
123.08144	0.9
125.02460	6.8
125.06076	2.5
125.09725	7.0
126.90519	1.3
129.01950	0.7
131.03474	1.0
133.02959	0.9
135.04521	1.1
135.08176	5.9
137.05997	0.9
141.01968	1.1
143.03488	2.3
143.04475	0.6
147.04507	0.8
149.04558	0.7
153.09204	8.9
159.08099	1.0
161.04527	2.1
163.11267	8.2
165.12819	3.6
166.13005	0.5
171.10263	0.9
176.08376	3.1
177.09167	1.0
178.09990	4.0
179.05620	3.8
179.10738	0.8
181.12312	1.2
185.11794	3.0
187.09717	1.1
190.10063	0.7
191.10776	2.1
193.12289	0.6
197.11823	14.4
198.12250	0.9
207.10294	7.1
209.11823	100.0
210.12132	6.0
217.12337	1.1
221.06624	1.7
225.11328	5.5
231.81248	0.6
235.08192	3.1
236.10648	2.9
243.17560	2.2
245.15483	2.1
261.18512	6.0
263.16525	0.8
269.15488	1.4
277.18011	2.9
279.19608	1.9
287.16534	12.6
288.16754	0.9
295.19177	1.0
305.17572	90.6
306.17917	9.3
323.18613	27.6
324.19098	3.0
397.13513	26.7
398.13998	1.8
415.14584	22.2
416.14804	1.9
585.23901	1.0
595.26660	0.7
607.26068	1.3
623.25812	4.1
634.25403	0.9
685.29681	0.9
703.31781	72.0
704.32166	15.3
721.33014	14.7
722.32880	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	721.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
55.37674	0.7
55.78334	0.7
56.81936	0.7
57.03442	1.4
58.00601	1.2
59.01381	28.1
61.98821	2.7
63.75838	0.8
67.15838	0.7
69.03441	1.3
70.78555	0.8
71.01009	1.6
71.01381	22.3
72.99300	2.2
73.02938	2.2
80.02657	1.5
81.03455	3.1
83.01380	2.0
83.05020	7.1
84.02152	1.1
85.02955	6.5
87.00858	4.1
88.98849	1.0
89.02443	18.7
95.01369	1.1
95.05050	2.3
96.96013	0.8
97.02954	4.4
97.06573	2.0
98.19940	1.7
99.00874	2.5
99.04531	1.2
99.92577	1.2
101.02444	15.1
106.16177	0.8
107.05020	7.1
108.02186	0.9
109.06589	2.9
110.03741	0.9
113.02452	8.2
113.06116	1.5
114.84904	0.8
116.92873	2.7
119.03500	6.6
121.02997	1.0
122.03771	0.8
123.04513	1.1
123.08183	0.9
125.02451	7.5
125.06096	2.6
125.09732	7.6
126.90482	2.3
131.03490	1.1
135.04504	1.4
135.08165	4.0
137.06088	1.0
143.03474	2.2
147.04459	1.3
147.11696	0.9
152.42155	0.7
153.09219	9.3
161.04515	3.2
163.11267	7.8
165.12830	3.1
171.10213	1.2
176.08420	4.0
177.09006	0.8
178.09924	3.0
179.05672	3.8
179.10605	1.0
181.12347	1.9
185.11818	3.0
191.01920	0.9
191.10736	3.3
197.11836	14.4
207.10245	9.2
209.11821	100.0
210.12148	6.4
217.12285	0.9
221.06648	2.4
225.11278	5.8
235.08220	3.3
236.10512	2.4
243.17505	1.7
245.15469	1.6
261.18558	5.2
263.07721	1.1
263.16476	1.5
269.15405	2.6
277.18051	4.0
279.19693	2.1
287.16571	11.9
288.16864	1.9
295.19263	1.1
305.17578	94.8
306.17960	10.1
323.18646	27.5
323.22565	1.2
324.19055	1.8
374.13931	0.9
394.25336	0.8
397.13519	28.3
398.13831	2.0
415.14566	25.3
416.14960	2.6
517.31732	1.1
523.25287	1.0
607.26105	1.4
623.25854	3.3
634.24896	1.6
686.68414	0.9
703.31775	69.7
704.32098	17.0
721.32861	16.9
722.33197	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	719.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75415	0.9
51.24049	1.0
54.82595	1.1
57.03412	1.4
58.80604	1.0
59.01382	6.8
61.98833	8.5
69.03451	1.3
69.18296	11.7
71.01381	4.8
71.05011	3.6
73.02931	1.3
76.83285	1.0
77.68165	1.0
83.01408	0.9
83.05007	1.8
85.02938	4.7
87.00866	1.8
89.02425	3.9
91.26549	0.9
96.96007	6.8
97.02943	4.6
97.06575	3.0
99.00874	15.9
99.92568	1.4
100.98233	1.0
101.02431	4.2
102.33023	1.0
109.06587	2.3
111.08147	1.9
112.19242	1.2
113.02435	1.7
116.92855	3.5
125.09711	11.1
126.90485	3.5
142.02722	1.7
143.03413	1.2
150.02878	1.1
153.12740	1.2
163.11273	10.5
171.10240	1.7
175.27606	1.2
179.10802	1.5
180.53464	1.1
181.12326	18.2
182.12747	1.5
191.01855	1.4
197.11829	7.8
199.13377	8.2
207.10262	28.3
208.10512	1.7
209.11804	2.6
225.11316	44.0
226.11629	3.6
233.70638	1.1
243.12350	16.5
253.09242	2.2
257.13943	3.0
259.15494	6.5
319.08441	1.2
428.54352	1.2
461.20123	3.8
479.21271	4.7
687.32355	1.5
719.34949	100.0
720.35291	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	715.391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.1
59.01392	6.7
59.16183	0.9
61.98827	7.0
62.78252	0.9
64.01535	1.0
69.14343	3.4
69.14757	5.9
71.01395	5.4
73.02955	1.4
77.67709	0.9
78.95913	1.5
80.49041	0.9
85.02950	4.6
89.02422	3.4
95.05017	1.4
96.95998	1.1
97.06596	16.5
101.02424	4.4
113.02434	2.6
114.61845	1.0
116.92844	2.7
123.08158	9.8
125.09720	84.8
126.10029	2.9
161.04477	2.0
163.11311	2.2
165.05856	1.2
165.12889	2.1
169.08656	2.2
171.09026	1.1
171.10258	6.1
187.09743	45.7
188.10095	2.7
207.10321	1.5
209.11775	2.5
211.13358	1.4
223.13373	2.2
235.08180	2.1
247.20564	3.2
253.09338	3.0
268.05966	1.0
284.57944	1.1
291.19653	23.2
292.19968	2.0
300.75412	0.9
307.19156	1.5
309.20697	13.7
310.21103	1.7
405.17712	3.6
423.18759	8.6
424.18399	1.3
715.39069	100.0
716.39355	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98830	100.0
62.98521	0.2
63.71878	0.1
71.01395	0.2
72.01716	0.1
101.02451	0.1
127.96088	0.1
161.04732	0.1
161.42061	0.1
255.23344	0.2
256.23712	0.3
257.23892	0.2
397.13708	0.1
398.13846	0.3
399.14215	0.3
400.14453	0.2
417.15363	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03446	16.7
59.01369	2.1
63.85493	0.8
68.99831	1.2
69.03472	1.0
71.01379	2.4
72.86471	0.8
72.99307	5.3
81.64901	0.8
83.01386	24.8
83.86755	0.8
84.02172	3.7
85.02950	69.7
86.03288	1.9
87.97034	1.1
93.03456	3.6
96.96023	1.3
97.02952	1.7
99.00852	1.0
109.02922	1.2
111.00874	7.7
114.23190	0.9
117.03458	8.6
119.05024	69.4
120.05369	4.1
125.02453	4.2
125.05592	0.8
129.01939	83.5
132.12630	0.9
133.06641	1.0
135.04512	0.8
137.02411	1.3
143.04984	2.8
145.02950	58.0
146.03308	3.9
147.03001	3.8
147.04518	2.2
154.99858	14.3
157.06593	1.1
160.05286	1.0
161.06053	2.4
163.04005	48.5
164.04341	2.0
173.00903	93.6
173.06038	1.5
174.01262	2.8
177.05602	2.9
179.00450	0.8
185.06070	7.7
187.03983	2.5
187.07616	1.2
191.01967	1.2
201.05476	1.5
203.07130	14.1
209.02989	0.9
213.05548	2.0
218.47169	0.8
229.05107	1.4
229.36980	1.0
231.06613	31.8
232.06990	1.9
257.04544	2.6
275.05539	8.6
293.06610	4.4
299.04971	0.8
319.04538	25.1
320.05014	2.8
337.05630	100.0
338.06027	8.3
513.04425	0.9
631.55353	0.9
685.23566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29152	0.3
83.04993	0.4
85.02927	0.4
86.71224	0.2
87.92769	0.3
98.20639	0.7
99.50134	0.3
220.02818	0.3
232.57547	0.3
234.63646	0.3
282.88754	0.3
288.33194	0.3
296.57053	0.3
334.43167	0.3
347.80704	0.3
516.91223	0.3
524.50244	0.3
677.49854	2.1
700.17584	0.4
713.47314	100.0
714.47644	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	715.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95769	1.0
51.89428	1.0
53.48353	1.1
55.01870	3.1
57.03440	4.1
58.00613	1.2
59.01380	94.6
61.98839	8.3
67.34305	1.0
69.03442	1.1
69.16481	2.7
69.16903	8.8
71.01382	54.5
72.99305	3.6
73.02944	11.3
75.00853	1.8
83.01385	7.4
85.02454	2.1
85.02950	27.0
87.00874	3.0
88.98840	1.4
89.02439	20.9
90.27016	1.3
95.01389	5.7
97.02950	1.7
99.00868	7.1
99.92615	2.5
101.01805	1.9
101.02446	30.6
111.00916	2.8
111.11674	1.1
113.02456	23.6
116.92861	25.3
117.92857	1.8
119.03482	8.2
124.01664	3.2
125.02446	2.4
126.90502	1.6
129.01944	3.2
141.65741	1.4
143.03493	3.8
159.02913	1.5
161.04533	6.1
171.10278	3.3
179.05591	2.2
191.01959	2.8
307.19168	1.7
412.23874	1.3
449.29056	1.6
467.30161	7.1
516.14923	1.4
544.10742	1.3
611.34308	100.0
612.34686	16.0
629.35413	82.0
630.36041	13.9
671.36389	12.9
672.36914	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	713.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48870	0.7
57.03450	1.2
58.00584	1.6
59.01381	29.8
61.98829	7.6
69.03423	1.1
71.01382	27.0
72.99298	2.4
73.02953	4.1
81.03486	1.0
83.01394	2.4
85.02944	6.4
87.00874	7.3
89.02445	25.9
95.01377	1.3
97.02952	3.7
98.20651	2.6
99.00870	2.1
101.01797	1.6
101.02438	22.3
111.04567	0.9
113.02447	11.4
116.92894	1.1
119.03507	6.7
121.02945	0.8
125.02456	9.4
125.08679	0.7
125.09692	2.0
131.03500	1.8
133.05031	0.9
134.45496	0.9
143.03490	3.3
161.04550	4.2
162.74965	0.9
169.05066	0.9
171.10301	1.2
175.92873	0.7
179.05562	5.3
195.13811	1.0
200.85948	1.1
201.11328	18.1
219.16467	0.7
221.06645	1.8
229.25029	1.0
235.08234	11.0
237.94673	0.8
245.06378	0.9
253.09273	7.1
255.23282	73.0
256.23599	4.6
263.07803	0.9
275.19974	0.9
287.07690	2.3
293.21222	9.9
294.21432	0.9
303.44165	0.7
305.08807	3.7
323.09927	1.4
338.65833	0.8
397.13501	100.0
398.13849	8.2
415.14536	28.5
416.14948	3.1
653.37665	6.2
654.38177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	19.2
61.98806	29.1
65.61009	6.4
71.01380	13.7
76.31834	5.7
84.61164	6.0
89.02438	24.5
89.13432	6.1
101.02435	9.9
107.71414	6.4
108.48975	5.9
113.02461	10.0
119.03435	9.4
171.10236	10.7
196.91667	6.5
201.11339	7.8
235.08176	8.3
279.23251	68.8
323.22031	8.3
397.13449	100.0
415.14615	31.6
576.31848	6.4
677.37128	13.3
713.35266	77.5
714.35345	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	712.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76011	2.5
53.61861	2.5
57.03442	5.9
59.01369	10.1
61.98836	27.2
69.28666	13.6
69.29090	10.4
71.01379	11.5
79.95721	3.1
83.01382	4.9
85.02942	24.3
88.98824	3.1
89.02412	5.1
96.96014	54.1
98.19953	6.2
98.20607	6.6
101.02455	4.3
104.05007	3.4
106.06615	27.1
116.53678	2.8
116.92870	18.5
124.01651	2.6
126.29222	2.5
126.90524	4.5
129.01947	6.2
132.04561	7.4
132.08202	7.0
133.03012	3.7
134.06113	4.1
135.04530	4.3
150.05519	3.9
160.07530	3.3
183.28891	3.0
188.13809	2.8
191.01978	5.6
211.12311	4.3
225.10422	3.9
237.10248	7.9
238.11140	47.4
239.11533	6.1
251.11923	13.1
252.12770	17.6
253.13441	100.0
254.13686	9.2
267.11667	3.9
279.11365	6.7
285.12543	14.3
297.12473	3.8
312.77380	3.4
324.06049	2.9
324.09677	3.3
386.18655	7.0
412.16528	6.1
430.17856	24.3
472.18192	5.2
474.16693	79.6
474.44141	3.5
475.16934	10.4
506.19351	65.1
506.26392	3.4
507.19391	10.7
516.17926	3.9
533.18073	4.1
668.24713	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	711.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57984	0.4
55.01877	2.4
57.03450	13.3
58.01828	0.4
59.01378	6.8
65.45156	0.4
68.99818	0.5
69.41483	1.8
69.41911	1.6
71.01375	3.6
72.99308	1.5
75.00873	1.2
83.01383	2.2
84.02169	2.3
85.02952	100.0
86.03271	2.3
87.00869	1.2
87.61277	0.5
89.02448	1.4
98.20155	1.9
101.02402	0.5
103.00351	1.4
111.00891	1.6
111.75519	0.4
115.00379	0.8
119.05053	3.4
129.01952	6.1
130.84610	0.4
133.01430	1.4
147.02995	10.9
148.03348	0.6
153.60042	0.5
163.02769	0.6
163.03975	3.1
173.00902	0.8
191.01974	51.9
192.02336	2.3
193.02472	0.4
209.03027	37.6
210.03360	1.5
320.96832	0.4
337.05707	1.3
355.06711	24.0
356.07108	2.0
476.09879	0.5
546.30310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17292	0.4
54.90485	0.5
55.01877	3.6
57.03449	10.3
58.00566	0.5
59.01377	12.8
64.82145	0.4
68.99817	0.6
71.01378	12.2
71.50996	0.7
72.99303	3.2
73.02950	1.6
73.96763	0.4
75.00884	2.6
83.01385	10.7
84.02155	2.4
85.02948	100.0
86.03275	3.5
87.00866	0.8
89.02456	6.6
95.39768	0.4
99.00876	2.0
101.02431	4.9
103.00383	2.2
109.02953	0.5
111.00881	11.6
111.93980	0.4
112.01196	0.5
113.02462	1.7
115.00350	1.0
117.01929	0.6
119.03500	1.7
119.05029	0.8
127.04003	0.8
129.01950	8.7
130.02280	0.9
133.01416	1.6
133.02896	0.5
135.04529	6.4
138.46614	0.4
143.03490	5.6
145.01422	0.6
145.02943	0.8
147.02994	6.5
161.02478	1.0
163.03993	0.8
173.00902	8.6
174.01398	0.5
179.03510	5.4
191.01962	70.1
192.02312	1.9
205.03532	5.0
206.03908	1.0
207.03922	0.6
209.03017	7.2
223.04576	74.4
224.04947	5.7
225.05099	2.7
237.09085	0.8
255.10216	0.5
263.07022	2.9
264.07523	0.6
281.08228	1.9
300.33408	0.5
307.06140	1.7
321.17615	0.5
323.13455	18.8
324.13623	1.2
325.06982	0.6
353.05151	7.1
354.05344	0.8
369.08093	0.6
370.08609	0.6
371.09167	0.6
385.07736	8.5
455.09476	0.8
499.09030	1.5
517.10028	0.9
529.64240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44273	0.6
55.01866	1.6
57.03450	14.2
59.01379	6.2
66.32795	0.6
68.99814	0.8
70.65088	1.5
71.01376	6.4
72.99305	1.5
73.02915	0.6
75.00887	1.6
78.05896	0.5
83.01384	2.6
84.02168	3.4
85.02949	100.0
86.03268	3.6
87.00874	1.5
89.02464	2.5
93.26353	0.7
103.00368	1.8
111.00877	4.2
115.00342	1.5
119.05028	1.2
129.01942	7.9
133.01414	3.5
133.02922	1.1
135.04474	0.9
145.33936	0.6
147.03006	11.7
161.02435	2.5
163.03992	0.8
169.59038	0.7
173.00900	2.4
191.01973	68.1
192.02307	2.7
192.25169	0.7
193.02408	1.0
194.65686	0.7
209.03017	98.6
210.03273	3.7
337.05725	1.7
355.06699	32.1
356.07022	2.5
375.93314	0.7
732.73303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
57.03448	11.0
59.01379	5.9
68.99821	1.0
70.88566	1.2
71.01380	5.6
72.99332	1.0
75.00880	1.6
83.01377	2.1
84.02164	2.3
85.02949	99.3
86.03300	2.7
87.00872	1.2
89.02429	3.0
103.00362	1.9
111.00871	3.4
115.00348	1.1
119.05014	1.2
129.01938	8.3
133.01437	3.5
147.02998	11.1
163.03940	0.6
173.00902	2.6
191.01979	59.7
192.02322	4.0
193.02402	1.5
209.03027	100.0
210.03331	3.4
337.05722	1.1
353.05042	1.6
354.05734	0.6
355.06686	30.3
356.07034	2.2
463.46143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66569	0.2
55.01881	0.6
57.03439	0.6
58.00583	0.8
59.01380	17.6
61.98830	1.3
69.03459	1.2
71.01381	14.8
71.05014	0.4
72.99310	1.4
73.02945	1.9
75.00867	0.4
78.54538	0.2
80.02676	0.4
81.03477	1.0
83.01383	1.1
83.05009	0.7
85.02949	3.8
87.00875	2.5
88.98808	0.3
89.02444	13.6
90.02802	0.2
93.03455	0.2
95.01376	0.8
95.05027	0.5
97.02945	2.5
97.06622	0.5
98.03794	0.4
98.20516	1.1
99.00883	0.8
99.04523	0.4
101.02438	10.9
102.02774	0.3
103.00346	0.2
109.06586	0.5
110.03724	0.3
111.00857	0.2
111.08157	0.3
113.01722	0.3
113.02454	4.7
116.92839	0.8
119.03493	4.1
119.04898	0.2
121.02888	0.2
123.04486	0.5
123.08121	0.4
124.01637	0.2
125.02439	3.2
125.06045	0.6
125.09740	0.9
127.07668	0.5
131.03474	0.6
133.05081	0.4
137.09731	0.3
139.04008	0.3
141.01965	0.2
141.12840	0.6
142.02698	0.3
143.03500	2.1
149.04596	0.3
150.10442	0.3
151.04068	0.2
151.11232	0.2
153.12808	0.3
161.04561	2.3
161.09570	0.2
162.10468	0.3
163.11288	3.4
164.11609	0.2
165.09250	0.5
165.12837	5.8
166.09940	0.4
167.14400	0.2
171.10223	0.2
171.30261	0.2
177.12859	0.5
179.05591	3.6
179.14412	2.0
181.12328	2.1
182.12953	0.3
183.13879	0.4
184.63724	0.2
185.11844	0.4
189.12724	0.3
193.15988	1.8
197.11836	1.6
205.16133	0.2
207.10318	0.4
209.11784	1.7
219.17491	0.4
221.06653	0.9
221.11806	0.3
223.13414	2.1
229.19514	0.3
235.08218	3.5
247.20641	6.7
248.21040	0.4
251.16466	0.3
253.09363	1.6
263.07724	0.8
273.18610	2.3
277.09424	0.3
283.68478	0.2
287.07693	0.7
291.19656	62.3
292.19983	6.1
305.08615	0.9
309.20703	100.0
310.21051	10.9
310.23849	0.2
323.09894	0.6
366.42191	0.2
379.12830	0.3
397.13483	22.1
398.13858	1.9
415.14551	28.3
416.14856	2.3
485.32568	0.3
663.37488	0.9
689.33118	0.3
707.34784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18432	0.3
57.03458	1.5
58.00591	0.8
59.01379	18.7
61.98815	0.3
63.91991	0.2
68.11305	0.2
69.03454	1.1
70.47605	0.3
71.01381	12.8
71.05018	0.3
71.29266	0.5
72.99306	1.0
73.02943	1.8
75.00848	0.5
80.02713	0.5
81.03457	0.9
83.01377	1.5
83.05029	0.4
84.02160	0.5
85.02948	3.1
87.00883	2.4
89.02446	14.1
90.02763	0.4
95.01399	1.0
95.05022	0.4
97.02946	2.5
97.06618	0.5
99.00868	0.5
101.02441	10.9
101.03107	0.5
101.67542	0.3
103.97973	0.2
109.06583	0.4
110.03722	0.4
111.00902	0.3
111.04536	0.6
111.08160	1.4
113.02442	4.5
114.02775	0.4
116.92854	0.8
119.03498	3.9
123.04504	0.5
123.08173	0.6
125.02448	3.3
125.06110	0.7
125.09702	0.6
131.03487	0.7
137.09729	0.4
139.03976	0.3
141.12796	0.4
143.03519	1.8
149.04514	0.4
153.12759	0.3
161.04529	2.7
162.10504	0.4
163.11299	2.9
165.09192	0.5
165.12843	4.9
167.14485	0.3
169.12358	0.6
171.10304	0.5
177.12856	0.5
179.05595	4.0
179.14401	1.6
181.12381	1.6
182.12979	0.3
185.04521	0.4
185.11823	0.6
188.82629	0.3
189.12819	0.3
193.15948	1.7
197.11826	4.4
209.11855	1.4
219.17464	0.3
221.06610	0.7
223.13348	1.9
235.08199	3.8
247.20648	6.2
248.21025	0.5
253.09329	0.9
263.07672	0.5
273.18610	1.9
287.07663	0.7
291.19650	62.1
292.19983	6.5
305.08728	1.1
309.20694	100.0
310.21033	10.9
310.23856	0.2
323.09778	0.5
351.80954	0.3
397.13501	22.4
398.13718	2.3
415.14545	26.6
416.14978	2.8
707.34833	0.5
716.44983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.1
59.01612	0.9
61.98838	8.5
71.01373	3.9
71.52297	1.6
72.99301	1.2
73.09542	0.8
79.71263	0.9
85.02947	4.7
89.02425	1.7
95.01353	0.8
96.96013	8.9
98.95590	3.4
99.00882	1.3
99.91991	1.4
99.92592	20.7
100.92631	0.9
100.93360	2.3
101.02436	2.0
104.46873	0.9
113.02436	4.2
115.92080	42.2
116.92860	100.0
117.26827	1.2
117.92897	5.0
117.93555	0.9
125.02414	1.2
126.90496	5.1
127.36311	0.9
134.03670	1.1
140.92824	1.2
141.93599	1.1
158.93933	1.0
160.01691	1.4
175.03917	1.8
184.91780	2.2
191.01935	1.1
193.05110	1.2
199.13379	1.4
225.11299	1.1
295.52188	1.0
309.20621	3.2
355.10495	1.4
371.53625	0.9
407.18839	3.1
415.15070	1.3
567.22632	3.7
585.23651	18.9
586.23560	2.6
609.23340	1.3
621.25885	2.5
622.27014	1.1
627.24835	2.8
663.27045	9.0
664.27264	2.2
707.24976	15.7
708.26135	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	707.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45279	0.6
59.01384	2.6
59.33430	0.4
60.41238	0.5
61.98827	3.6
68.32842	0.4
71.01376	1.9
71.21912	1.0
85.02955	1.9
87.00873	0.7
88.98820	0.5
89.02435	1.0
96.96022	5.7
98.20050	0.5
98.95615	1.4
98.96523	0.5
99.00862	1.0
99.92585	21.8
100.73903	0.5
100.92654	0.9
100.93380	2.1
101.02441	0.8
101.03970	1.2
103.00384	0.8
115.92076	40.5
116.92860	100.0
117.92874	4.4
125.02444	0.7
126.90524	1.2
129.01932	0.8
141.93645	0.5
142.94391	0.8
145.02945	1.5
145.04982	0.6
169.68958	0.5
184.91849	1.7
194.97507	0.5
222.12543	0.6
234.65419	0.5
283.06384	0.7
289.77728	0.6
309.20731	4.1
323.21091	0.6
397.13434	0.7
407.18835	1.9
415.14658	0.8
425.19940	1.6
523.19940	1.2
549.21997	1.1
551.22711	0.8
565.20691	0.6
567.22491	3.8
568.22717	0.7
569.24072	0.9
583.21887	1.1
585.23663	13.7
586.23907	2.1
609.23895	0.8
621.26050	2.1
622.26520	0.7
627.24823	3.0
628.24854	0.7
663.26849	7.9
664.27283	1.7
707.25873	17.5
707.35437	0.7
708.25922	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	707.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12631	0.4
55.01879	1.5
57.03451	8.5
59.01376	3.3
67.01909	0.9
70.02509	1.0
70.02903	0.8
71.01381	5.5
72.99305	1.7
73.02941	1.2
75.00883	1.2
80.55199	0.4
83.01386	5.4
84.02168	1.8
85.02950	63.2
85.97884	0.4
86.03286	1.2
87.00874	1.5
87.48792	0.4
98.20120	0.9
98.20706	0.5
101.02431	4.2
103.00358	0.8
103.03983	0.8
111.00884	23.3
111.63054	0.4
112.01234	0.5
117.03461	1.2
117.32744	0.4
119.05025	3.3
129.01941	19.4
143.04640	0.5
145.02953	5.4
147.03008	7.5
161.02586	0.4
161.04591	2.0
163.03995	2.9
173.00883	0.9
187.02486	2.2
190.98419	0.5
191.01979	4.8
205.03528	30.5
206.03879	1.0
223.04584	100.0
224.04933	4.0
263.98605	0.4
293.06552	3.0
320.36575	0.5
325.09274	0.6
337.05661	2.5
338.04996	0.8
369.08240	15.3
370.08789	1.2
378.93243	0.4
381.13953	0.4
564.42004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97195	0.7
55.01863	1.8
57.03446	14.4
59.01374	3.9
61.98821	0.9
63.18148	0.8
68.99817	1.2
71.01369	3.3
72.99308	1.0
83.01388	3.2
84.02170	2.7
85.02950	100.0
86.03287	2.8
89.02435	1.0
96.96007	17.5
99.00821	0.7
101.02447	1.5
109.02943	2.3
111.00871	2.3
129.01944	52.9
133.02985	4.8
135.04512	19.0
144.04669	0.8
147.02989	44.2
148.03360	1.5
151.03940	1.2
161.02441	23.4
162.02756	0.8
173.00900	38.2
174.01222	1.4
179.03490	13.1
191.01979	7.0
201.05586	3.1
203.07185	1.0
209.03009	2.9
219.06712	1.3
229.04933	0.9
232.05507	0.8
247.06122	3.0
279.24738	0.9
291.05054	2.2
309.06226	2.6
323.05481	2.2
331.37018	1.0
335.04080	14.1
335.07889	0.7
336.04614	0.9
353.05112	63.4
354.05597	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	707.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54869	0.3
55.01883	1.8
57.03448	11.4
59.01371	3.5
68.99797	1.0
71.01382	2.0
71.51321	0.3
72.99294	0.7
73.02937	0.7
81.87335	0.4
83.01400	2.5
84.02162	2.2
85.02949	97.1
86.03277	2.1
99.00861	0.4
101.02441	0.8
103.00373	1.6
109.02947	0.7
111.00874	4.0
117.02004	0.4
117.03465	5.2
119.05004	2.0
127.04003	0.9
129.01936	11.6
133.02962	1.1
134.03693	0.4
135.04521	4.1
143.03470	0.5
145.02945	18.7
146.03276	1.3
147.02992	17.1
148.03250	0.4
150.81641	0.4
154.99879	0.5
161.02431	5.4
163.03986	1.2
173.00905	9.2
179.03484	3.7
187.02528	0.4
187.07706	0.5
191.01965	100.0
192.02295	2.6
205.03497	3.7
223.04568	15.1
224.04863	0.6
273.03979	0.5
293.06702	4.0
294.06738	0.4
335.04108	1.5
337.05634	6.4
353.05121	10.5
354.05386	1.3
369.08469	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	707.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
56.90099	0.3
57.03447	9.7
59.01381	3.1
68.99818	0.3
71.01392	0.6
77.88601	0.3
83.01389	1.0
84.02180	2.5
85.02950	79.7
86.03286	2.2
95.17346	0.3
95.95574	0.3
103.00385	1.2
109.11098	0.4
123.72107	0.3
129.01945	3.3
133.02946	1.1
135.04517	1.9
135.83896	0.3
136.04973	0.3
147.02979	3.9
149.28679	0.3
161.02405	0.4
173.00972	1.4
177.01889	0.5
179.03508	2.2
186.64693	0.3
191.01968	100.0
192.02310	3.7
209.03067	0.4
231.47166	0.3
276.69812	0.4
351.03641	0.8
353.05112	15.3
354.05487	1.9
396.64578	0.3
523.33612	0.4
638.41339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95121	0.7
57.03427	2.9
59.01381	11.3
59.02354	0.7
61.98832	5.0
71.01382	7.7
71.05003	2.2
72.99306	0.8
73.02944	1.4
77.61686	0.7
79.95736	2.5
83.01377	1.4
85.02957	6.1
87.00877	1.3
87.71769	0.8
88.98811	1.7
89.02436	5.1
95.05006	0.9
96.96014	100.0
97.02963	4.2
97.06565	2.5
99.00882	20.6
101.02435	5.1
109.06568	2.4
113.02480	3.8
113.92603	2.8
114.93406	6.7
116.92848	2.7
119.03500	1.5
121.06584	1.0
122.06110	1.0
123.08171	1.0
125.09755	6.8
126.90508	34.3
136.05251	1.0
142.02684	1.0
151.00417	1.3
161.04607	0.8
163.11256	9.1
181.12344	13.5
191.01897	1.6
197.11925	1.6
199.13376	10.8
200.13754	1.4
207.10268	31.4
208.10536	1.5
209.11873	1.2
225.11310	41.4
226.11652	2.4
243.12346	23.6
243.16211	1.0
244.12688	1.7
253.09233	1.3
307.19162	4.3
317.16101	1.1
373.18243	1.1
415.14572	1.6
420.29398	0.9
461.20255	1.1
462.54642	1.0
479.21323	6.4
503.32394	2.5
543.28308	1.3
561.28699	1.0
583.24493	2.2
687.31836	1.8
705.33453	96.9
706.33826	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	705.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03449	10.4
59.01378	2.6
68.99799	0.5
71.01387	3.0
71.51645	0.5
72.99299	1.3
78.95905	0.4
83.01399	2.5
84.02172	2.3
85.02952	100.0
86.03290	2.3
87.00893	0.5
96.96024	2.8
99.00868	0.4
103.00394	0.8
111.00874	3.0
117.03440	0.8
119.05021	1.6
129.01950	13.0
132.02170	0.8
134.03755	6.0
137.02426	0.4
144.66389	0.4
145.02945	0.9
147.02998	15.7
149.06078	0.9
160.01642	4.3
161.02422	0.6
163.04039	1.3
173.00914	7.1
173.02393	0.5
174.01245	0.4
175.04005	7.6
177.01866	0.4
177.05540	0.4
178.02751	0.4
191.01974	83.1
192.02312	2.3
193.05046	5.5
199.58089	0.4
209.03052	1.0
223.04482	0.6
293.06848	0.8
295.06036	0.6
323.07727	12.3
323.11584	0.6
324.08142	1.0
328.85437	0.3
332.65945	0.3
337.05664	10.4
338.05994	1.0
339.05060	2.5
367.06659	13.9
368.06955	1.3
469.07867	0.6
691.92310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40824	0.7
57.03443	2.1
59.01379	7.2
59.29522	0.8
60.01683	1.1
60.62832	0.7
61.98815	3.9
69.03460	1.9
71.01384	5.9
71.05015	2.8
71.53004	1.0
73.02951	0.8
78.97591	0.7
80.02683	0.9
80.54997	0.6
83.01388	1.2
83.05045	1.0
83.74320	0.6
85.02964	4.0
87.00860	1.6
88.98804	2.1
89.02434	3.4
95.05044	0.7
96.96014	2.6
97.02956	3.1
97.06583	2.0
99.00880	13.6
99.92539	0.7
101.02458	4.3
109.06570	1.0
113.02408	2.3
116.92840	4.1
119.03545	0.9
121.02956	1.2
123.08173	1.4
125.09734	4.9
126.90505	2.5
139.03952	0.7
151.11256	1.1
161.09787	1.6
163.11284	6.3
179.10741	3.1
181.12328	10.7
181.79675	0.7
191.02010	0.7
197.11830	29.7
198.12189	2.0
199.13412	5.6
207.10266	18.2
208.10591	1.1
209.11847	7.1
214.01431	0.9
225.11322	22.9
226.11681	2.0
235.08264	0.9
240.26851	0.6
241.10820	2.1
243.12355	11.5
244.12543	0.9
253.09259	1.0
305.17654	6.2
373.98676	0.7
397.13608	0.9
415.14758	0.9
430.33795	0.8
477.19971	1.1
479.21353	2.2
659.33362	1.6
685.32050	1.1
703.31787	100.0
704.32117	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27964	1.0
57.03453	1.5
58.00578	1.4
59.01380	36.7
61.98824	2.9
69.51894	5.6
71.01384	24.9
72.99316	2.6
74.39190	0.9
74.52599	0.8
83.01365	1.9
85.02955	12.7
87.00872	1.5
88.98827	1.1
89.02444	24.4
95.01407	1.4
96.96010	3.1
98.20365	3.6
101.02446	16.4
101.03094	1.0
104.05078	0.9
106.05905	1.2
106.06630	4.1
108.73740	1.0
112.04027	2.6
113.02464	8.8
115.97136	1.0
116.05072	7.5
116.92861	1.4
119.03513	6.9
122.06111	3.6
123.03279	4.8
124.04033	4.1
129.01959	2.0
130.03009	1.3
131.03514	1.0
132.04582	5.4
134.06126	64.6
135.06505	1.6
138.05597	14.4
147.03119	1.1
148.03931	1.1
148.07674	1.0
152.07187	6.4
158.02464	4.9
160.04048	24.3
161.04420	1.0
164.07150	5.3
167.10266	1.1
172.03990	2.4
176.03459	1.1
183.02901	0.9
184.06175	2.6
190.05103	14.7
191.02011	2.0
192.06657	89.5
193.06992	4.6
204.06580	7.7
209.02960	0.9
228.10471	1.4
247.13533	1.0
250.18449	1.0
255.11426	3.3
267.11340	1.3
279.11392	1.8
281.09351	3.8
293.09210	1.7
305.09351	1.2
307.10834	6.3
311.14005	3.1
314.12527	5.8
330.21646	0.9
337.11844	2.6
339.13461	28.3
340.13785	3.1
487.17203	25.4
488.17712	3.9
517.18109	6.2
519.19818	100.0
520.20215	13.0
582.24811	1.9
608.22223	6.0
609.22418	1.2
626.23523	23.8
627.23254	4.9
630.23157	1.1
640.25073	3.6
652.21277	4.0
658.26440	1.7
670.22571	33.1
671.22882	5.7
684.23956	11.0
685.24036	1.6
702.25153	49.9
703.25415	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	701.331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	65.3
70.36383	16.4
70.36731	38.5
85.02939	19.3
103.76965	12.0
171.10234	17.7
172.87994	12.8
178.14220	12.5
211.13365	33.0
223.13400	100.0
397.84708	13.9
701.33057	83.0
702.33246	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04184	0.9
57.03447	1.9
58.00591	1.7
59.01380	47.7
61.98800	1.4
69.47493	2.0
69.47898	5.6
71.01379	25.0
72.99301	2.5
73.02941	1.5
75.66175	0.9
76.68379	0.8
83.01373	2.6
85.02958	7.9
87.00885	1.3
89.02441	26.1
95.01374	1.3
96.45593	0.8
96.96009	1.9
98.20553	1.8
99.00822	1.1
101.02441	18.0
106.06595	5.4
108.04526	0.9
110.02486	1.5
112.04035	3.5
113.02458	9.6
116.05061	9.2
117.05402	1.1
119.03495	8.3
122.06123	4.6
123.03265	6.0
124.04039	5.6
126.90543	0.8
130.03026	1.0
132.04544	7.1
134.06119	75.6
135.06479	1.3
138.04591	1.0
138.05612	15.1
140.07175	1.4
149.04596	1.0
150.05597	1.0
152.07158	6.6
158.02426	4.3
160.04037	32.1
161.04446	1.9
164.07120	5.4
172.03983	2.3
176.03583	1.1
176.07040	1.0
184.06161	2.0
190.03514	1.4
190.05107	17.2
191.05363	1.4
192.06662	99.5
193.06966	3.5
196.16002	1.1
204.06656	7.0
209.02992	1.1
212.10727	1.1
218.08223	1.2
237.10208	2.0
251.11909	1.0
255.11296	6.0
265.06195	1.1
267.11337	3.1
279.11349	2.1
281.09427	9.0
293.09253	4.1
305.09491	1.3
307.10858	8.9
311.14008	2.5
314.12418	7.4
315.12708	1.1
337.11768	3.5
339.09360	1.4
339.13467	28.7
340.13565	4.5
357.14447	1.3
357.25192	0.9
395.86395	0.9
437.48904	0.9
459.82288	1.0
459.92084	0.9
467.78210	1.1
487.17181	48.7
488.17340	6.7
517.18408	8.2
518.18091	1.2
519.19824	100.0
520.20221	13.4
582.24408	4.4
608.22516	8.0
609.23010	1.7
626.23499	41.8
627.23621	8.7
640.25018	1.6
641.25189	1.1
652.21527	3.3
658.26025	1.4
670.22418	22.7
671.22852	4.9
684.24219	12.1
685.24011	2.1
702.25031	45.1
703.25592	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	701.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38999	1.2
54.38314	1.3
58.00587	2.2
59.01379	30.1
70.53929	4.5
71.01376	28.3
72.99306	3.1
73.02942	5.9
83.01411	1.4
84.95992	1.4
85.02947	3.9
87.00878	10.7
89.02445	49.1
92.92801	100.0
94.92513	68.3
95.01387	1.9
96.92216	8.9
97.02940	2.1
98.20576	1.7
101.02445	31.6
102.05392	1.4
108.90199	21.1
109.96204	1.2
110.89922	14.7
112.89616	2.8
113.02454	15.6
119.03497	12.7
125.02422	2.6
131.03494	3.3
132.19193	1.4
138.33012	1.3
139.03979	1.3
143.03482	7.9
150.88593	2.5
152.88387	2.3
157.86360	3.0
161.04520	4.5
179.04144	2.3
179.05611	26.7
194.86888	1.5
203.05569	3.5
210.84186	2.2
221.06744	9.4
226.81601	1.8
242.78735	1.8
253.70090	1.4
266.80719	1.6
268.80148	1.8
282.77899	2.1
284.77557	5.3
298.74908	1.6
299.20667	1.4
302.74512	3.1
318.72321	2.1
329.11429	1.4
330.51682	1.5
341.10904	17.5
342.01346	1.5
358.70868	2.0
383.11929	44.6
384.12085	4.4
402.69229	1.4
413.12915	1.5
443.13968	10.2
476.62793	2.5
476.76096	1.9
485.14880	8.1
503.15897	3.6
539.13959	4.6
665.21454	86.9
666.21497	10.5
701.18958	39.3
702.19586	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	699.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03430	1.9
57.05104	1.1
59.01374	18.4
60.99319	1.6
61.98830	10.7
68.51275	1.5
69.09467	1.2
69.56168	4.5
71.01067	1.3
71.01379	13.6
72.99333	2.1
73.02940	2.3
75.88628	1.1
79.00542	1.1
83.01384	3.3
85.02957	9.1
87.00851	2.1
88.98799	11.8
89.02428	8.3
95.01327	1.1
96.96030	1.4
99.00851	1.7
101.02433	9.9
108.02176	1.3
109.02930	1.4
111.00838	1.3
111.64658	1.1
113.02426	3.8
116.92844	3.7
119.03479	4.6
121.02940	4.0
126.90539	2.6
134.89467	7.5
135.04495	2.3
136.99042	1.8
147.03052	1.5
156.98108	1.2
159.04469	2.5
161.09608	1.2
180.07942	1.4
191.01830	1.8
237.02412	1.6
237.05382	1.4
237.36333	1.3
247.03807	1.3
248.04851	1.3
265.04974	3.5
266.05759	1.5
267.06674	2.1
281.07959	1.6
325.10617	2.1
341.08798	1.4
385.14929	3.3
415.11929	1.2
418.14294	1.6
429.13315	4.3
430.14377	2.2
441.13181	2.7
443.14792	4.6
463.17508	1.9
474.16739	4.7
475.17200	3.9
477.19180	1.6
486.16623	1.8
487.17191	2.0
489.19492	6.3
501.19083	2.5
512.17358	1.5
519.20184	1.8
584.85388	1.5
621.19861	6.7
624.21716	2.3
633.19983	2.2
636.22375	5.7
637.22113	1.4
639.24445	38.3
640.24762	6.4
651.24432	100.0
652.24823	19.5
653.25635	1.9
663.24469	34.1
664.24615	6.8
669.25348	8.4
681.25574	26.0
682.25830	5.5
699.30212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
60.16258	0.2
61.98823	0.9
69.25657	0.8
69.26084	0.8
71.01387	0.3
73.02951	0.8
85.02959	0.4
96.96020	0.4
97.93159	0.2
99.92584	9.7
100.92595	0.6
114.93431	1.8
116.92860	100.0
117.01947	1.0
117.92869	4.9
118.92693	0.8
125.95777	0.2
126.90565	0.3
130.61969	0.2
157.69751	0.2
171.10236	0.2
209.11919	0.2
452.44009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80636	0.5
57.03451	0.8
58.21294	0.5
59.01374	1.7
59.41764	0.4
60.99308	2.1
61.98812	0.5
64.56948	0.5
65.00320	0.7
71.01367	1.2
71.51632	0.6
74.00694	0.5
83.01385	0.8
85.02951	2.8
88.98804	8.0
96.96012	0.8
101.02473	0.7
107.01381	2.0
108.02202	0.6
109.02957	0.7
119.05096	0.4
121.02958	1.6
129.01959	0.9
145.02985	0.5
148.01630	0.9
151.00356	7.9
159.06599	0.4
161.02339	0.5
163.00365	1.4
163.03941	0.5
178.99876	5.3
187.03860	0.5
191.01929	0.9
209.03076	0.8
211.04004	1.0
226.02634	1.1
227.03484	1.5
232.55821	0.5
243.02950	6.1
244.03574	0.7
245.04562	1.0
254.02170	1.7
255.02980	16.7
256.03326	1.3
271.02472	35.5
272.02954	4.1
273.04019	1.0
283.02441	0.8
299.02124	0.6
300.02734	72.1
301.03436	30.2
302.03934	2.2
343.04559	0.5
447.09125	1.0
542.07483	0.6
609.14575	100.0
610.14862	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	698.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33270	0.4
55.01950	0.5
57.03287	0.4
57.03527	0.6
59.01174	4.8
59.01509	9.9
61.98673	0.6
61.98968	0.6
62.66053	0.3
66.87908	0.3
71.01149	4.2
71.01591	4.9
71.52047	0.5
72.99506	0.7
73.02721	0.9
73.03141	0.7
75.00695	0.4
75.01048	0.4
80.04832	0.8
80.05325	0.8
83.01203	0.6
83.01604	0.4
85.02685	2.5
85.03268	1.7
88.98583	0.5
88.99070	0.4
89.02165	3.7
89.02797	2.4
95.01171	0.3
96.95763	0.7
96.96312	0.5
99.00616	0.8
99.01204	0.3
99.92291	1.1
99.93001	0.8
100.92356	0.6
101.02139	3.5
101.02896	1.7
104.04809	0.5
105.89106	0.4
106.06310	2.4
106.07086	0.8
108.04246	1.1
108.07951	0.4
113.02124	2.0
113.02980	0.6
116.92525	11.1
116.93450	4.1
117.01694	0.7
117.02370	0.4
117.92542	5.3
117.93484	1.7
118.92462	0.7
119.03144	1.3
121.02677	0.6
122.05817	0.7
132.04274	0.6
134.05753	10.3
134.06888	2.8
135.06174	0.4
136.07303	1.1
146.05707	1.3
148.03751	0.4
152.06772	2.8
160.03708	0.6
160.07350	0.8
174.05338	0.6
180.06232	2.1
186.05278	0.6
188.06731	4.8
190.04718	0.4
191.01633	0.7
197.04230	0.6
197.10445	0.4
199.52808	0.3
209.02612	0.6
210.07620	0.6
211.08252	1.4
223.08289	0.5
223.12057	0.7
224.09186	0.9
225.09842	3.0
226.10387	0.3
227.11415	1.4
236.09122	0.7
237.09833	1.5
238.06961	1.2
238.10596	0.4
239.07816	0.6
239.11450	1.6
240.11871	0.5
248.37486	0.4
249.09831	1.3
249.12186	0.4
250.10645	0.4
251.08228	3.1
251.11842	1.9
252.08476	2.1
253.09338	5.1
253.12926	1.3
254.10165	0.7
263.07767	1.3
264.08463	2.0
265.09790	2.6
266.10147	0.9
267.11340	4.7
276.08768	0.4
277.09818	2.8
278.06503	0.7
278.10211	0.6
279.07309	3.5
279.10895	5.3
280.08078	0.6
280.11212	0.4
281.08963	0.4
291.07159	1.2
292.08536	2.9
293.09314	5.0
294.09485	2.7
295.10840	10.0
296.10690	1.0
305.09296	2.5
306.09528	0.5
307.10840	7.8
308.10962	0.5
314.12158	0.5
321.08859	4.7
321.12280	0.4
323.09985	0.6
333.08731	1.8
339.09921	3.0
351.09814	2.7
372.16663	0.7
374.18271	0.5
398.14746	0.5
400.16428	0.8
412.16153	0.5
414.17926	0.9
440.15924	2.4
441.16000	0.6
442.17520	0.8
458.16687	1.4
468.15561	2.6
474.16431	0.6
476.18073	0.4
476.46048	0.4
486.16678	1.9
492.17368	1.2
518.11658	0.5
519.19788	1.0
576.23602	0.6
594.23511	0.4
602.21143	0.5
620.22662	2.9
622.23926	1.3
629.11084	0.4
638.23511	3.2
639.24457	0.6
648.22046	2.0
654.26355	0.5
666.23010	100.0
667.23303	19.9
681.25037	0.5
698.25696	28.0
699.26196	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	697.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62329	0.1
59.01371	0.2
61.98821	0.4
63.42465	0.1
66.82299	0.1
69.91199	0.1
71.06768	0.1
71.07093	0.1
73.02939	0.5
75.14835	0.1
85.02973	0.3
96.95981	0.2
97.93159	0.2
99.00842	0.1
99.92581	10.3
100.92591	0.6
102.53288	0.1
112.67800	0.1
114.93422	2.0
116.03414	0.1
116.92863	100.0
117.01936	1.1
117.92875	5.4
129.01904	0.1
171.10310	0.2
256.98651	0.1
303.64703	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	697.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56442	0.1
57.28435	0.1
58.22543	0.1
59.01374	0.1
61.98817	0.3
68.76479	0.1
70.36063	0.1
73.02608	0.1
73.02937	0.5
79.15536	0.1
81.76383	0.1
85.02969	0.2
88.98825	0.2
97.93147	0.1
98.19861	0.2
99.92583	9.8
100.92603	0.6
100.93187	0.1
107.61566	0.1
114.93423	2.1
116.92861	100.0
117.01936	1.0
117.92867	5.1
138.33234	0.1
171.10280	0.1
181.95006	0.1
191.01929	0.2
209.03009	0.4
294.82312	0.1
504.60687	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	697.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05983	0.6
57.61721	0.6
59.01379	100.0
60.01698	1.1
61.98830	17.6
68.09659	0.5
69.31229	3.4
69.31644	1.6
85.02976	3.7
93.50927	0.6
96.96015	1.3
99.92588	0.9
103.65736	0.6
107.17513	0.5
112.73244	0.6
116.78495	0.6
116.92854	4.7
117.92886	1.1
121.02974	2.2
148.06520	0.7
171.10287	2.0
191.02017	1.8
209.04636	1.3
275.05884	0.7
289.18185	1.0
432.46481	0.7
472.53934	0.7
593.12927	1.4
593.22363	0.6
638.04065	0.7
677.60999	0.8
697.36139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15946	1.0
57.03448	11.3
58.96292	1.3
59.01387	5.6
61.98833	3.0
62.71630	1.2
65.25172	1.3
68.99831	2.1
69.35316	10.1
71.01373	3.7
79.00530	1.2
83.01384	6.1
84.02167	3.7
85.02950	74.2
86.03304	2.3
88.19058	1.3
89.02493	1.4
93.03462	1.4
96.96012	2.3
97.94940	1.5
99.00885	1.8
101.02441	2.0
101.81204	1.1
111.00901	2.1
117.03465	9.3
119.05025	26.5
119.05834	2.2
121.02930	2.8
122.03380	1.3
123.00654	2.0
129.01949	38.9
130.04190	1.2
131.05013	3.2
145.02948	59.5
146.03326	2.8
147.02994	21.4
147.04565	2.4
151.00124	12.3
154.99844	3.5
158.03674	1.6
159.04466	8.2
163.03958	9.6
173.00896	29.2
175.03963	2.3
185.02185	3.5
185.06076	3.4
194.99081	8.4
199.03738	7.3
203.03523	4.3
203.07062	2.9
209.02956	1.7
227.03214	4.6
231.02969	3.0
231.06654	4.0
243.02940	1.6
253.01196	3.9
253.04782	3.7
255.14751	1.3
261.04041	1.9
275.05579	2.8
285.02573	1.5
315.04971	1.5
319.04636	7.0
337.05609	73.3
338.05957	5.7
341.02774	8.1
359.03790	100.0
360.04187	9.1
473.75232	1.3
533.05176	1.7
697.10382	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	695.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29026	0.1
52.15904	0.1
52.50257	0.1
56.03173	0.1
57.42940	0.1
59.01377	0.2
61.98836	0.5
70.66416	0.2
70.66768	0.1
71.01388	0.1
73.02955	0.7
85.02960	0.1
88.98825	0.2
96.95966	0.1
99.00867	0.2
99.92581	10.8
100.92619	0.4
114.93409	0.3
116.92860	100.0
117.01933	1.8
117.92869	5.2
126.90503	0.2
134.89468	0.2
177.89948	0.1
392.61072	0.1
587.75110	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	695.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63942	0.1
56.17422	0.1
58.81802	0.1
59.01381	0.2
61.98834	0.8
71.14889	0.2
73.02579	0.1
73.02944	0.7
85.02967	0.3
88.98807	0.1
96.96014	0.2
99.00896	0.2
99.92585	10.5
100.92600	0.4
114.93413	0.3
116.92861	100.0
117.01939	1.5
117.92870	5.1
126.50652	0.1
134.89551	0.1
154.46756	0.1
209.02939	0.1
268.59457	0.1
281.05713	0.1
455.08597	0.1
713.64685	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	695.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03452	9.8
57.40002	0.7
59.01373	3.7
65.09118	0.6
71.01379	1.7
71.51241	0.8
83.01397	1.6
84.02168	3.0
85.02952	97.2
86.03303	2.2
103.00388	1.0
105.39246	0.7
129.01901	3.1
133.02956	8.1
135.04510	4.7
144.22983	0.6
147.03001	18.9
161.02440	26.9
162.02776	1.7
173.00922	1.3
179.03505	5.1
191.01971	100.0
192.02306	2.3
195.05074	2.1
309.06128	8.1
353.05151	8.7
491.44156	0.8
630.39893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
56.08610	1.1
57.03449	13.3
59.01381	27.2
69.52608	3.5
69.53023	4.2
69.55751	1.1
71.01006	2.3
71.01377	20.8
72.15211	1.1
72.99303	3.5
73.02941	1.5
73.97999	1.4
75.00869	3.4
83.01376	11.3
84.02166	2.5
85.02949	100.0
85.19157	1.1
86.03273	3.8
87.00891	1.4
89.02443	14.9
93.03468	2.2
95.01435	1.7
96.96037	2.6
99.00870	1.7
101.02439	13.2
103.00346	1.5
109.52193	1.3
111.00881	18.5
113.02480	7.0
115.00350	2.3
119.03492	6.2
119.05029	55.0
120.05365	2.9
129.01947	24.4
133.01366	1.3
143.03519	3.3
143.04982	1.8
145.02954	4.1
147.02974	8.6
161.04649	1.7
163.04010	77.8
164.04340	5.2
173.00928	12.6
185.15202	1.2
187.02301	1.4
191.01956	29.0
192.02325	2.7
205.03522	15.1
209.03029	10.9
210.03363	1.4
223.04585	54.1
224.04918	1.9
275.33276	1.4
293.06644	2.6
303.07111	1.3
323.13443	62.1
324.13687	4.6
327.08624	5.9
337.05634	6.9
355.06659	3.0
369.08209	18.4
369.12341	2.3
370.08505	2.6
454.11185	1.6
457.11322	2.0
501.10297	4.5
515.67511	1.4
641.84155	1.4
693.13092	3.4
694.13287	1.4
704.77594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03450	11.4
59.01373	6.6
61.98826	0.7
68.99822	0.9
70.41627	2.0
71.01382	7.1
72.99303	2.7
75.00861	2.4
75.86274	0.6
83.01369	2.2
84.02164	2.9
84.31008	0.6
85.02950	100.0
86.03292	3.0
87.00871	1.0
89.02438	2.5
93.03437	0.8
96.96031	1.3
99.00906	0.8
101.02426	0.9
103.00359	1.8
111.00866	2.6
119.05022	3.2
129.01945	9.8
133.01419	4.4
135.04518	0.8
145.02928	1.9
147.02997	13.8
147.12434	0.7
163.03995	3.0
166.30901	0.6
173.00887	1.9
179.03374	0.6
183.37180	0.7
191.01971	53.1
192.02333	2.5
193.01466	2.3
209.03020	88.1
210.03384	2.5
223.04556	0.9
223.07657	0.7
241.78796	0.8
265.08603	0.9
327.08685	2.8
337.05515	2.1
355.06693	21.9
356.07031	3.0
431.23849	0.7
457.11301	2.2
499.88770	0.6
501.10437	2.3
519.11383	0.9
570.63617	0.7
648.11334	0.7
656.25098	0.7
693.12939	1.9
698.94159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68847	0.2
55.01884	0.4
57.03447	0.5
58.00584	0.7
59.01381	15.8
61.98821	0.3
69.03451	0.9
71.01379	12.6
72.99296	0.8
73.02945	1.8
74.02987	0.2
75.00891	0.3
81.03477	0.7
83.01398	1.6
85.02957	3.0
87.00880	2.7
89.02444	11.4
93.03482	0.3
95.01385	1.1
95.05028	0.3
96.95987	0.2
97.02957	1.5
98.20682	0.5
99.00874	0.9
101.02439	9.7
103.00387	0.2
111.00903	0.5
111.04493	0.3
111.08170	0.4
113.02449	4.5
113.09728	0.3
115.07981	0.2
119.03496	2.9
125.02438	2.9
126.90553	0.2
127.04008	0.3
129.01900	0.2
131.03468	0.4
132.38733	0.2
139.03999	0.3
143.03474	1.9
149.04475	0.3
161.04584	2.1
167.10756	0.2
171.10168	0.3
177.12856	0.5
179.05620	2.5
179.10808	0.2
179.14368	0.8
181.45776	0.2
183.10194	0.3
185.04607	0.4
191.01987	0.3
195.13899	7.8
196.14497	0.7
205.12311	0.8
205.15933	0.4
211.13370	0.6
219.05096	0.2
221.06749	0.8
223.13376	5.8
224.11847	0.2
224.13866	0.6
225.14911	0.3
228.13628	0.8
231.21172	0.4
235.08185	3.3
239.12665	0.3
249.22034	0.2
253.09258	1.0
256.13104	0.9
257.79370	0.2
263.07672	0.3
265.21756	0.5
275.20139	4.4
276.20462	0.3
287.07767	0.8
292.19980	0.3
293.21213	100.0
294.21530	10.0
305.08664	0.8
323.09894	0.5
380.84332	0.2
397.13477	24.1
398.13800	2.1
415.14536	26.8
416.14865	2.3
518.83917	0.3
552.31427	0.2
555.55798	0.2
654.27277	0.9
691.35455	1.1
692.36438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
56.56025	0.1
57.03443	0.7
58.00583	0.7
59.01380	16.0
60.77776	0.2
61.98833	0.8
69.03474	0.8
71.01382	12.3
72.99316	0.9
73.02947	1.6
75.00879	0.3
81.03452	0.5
83.01385	1.4
84.02106	0.2
85.02950	2.8
87.00875	3.1
89.02446	10.7
90.02759	0.2
95.01387	0.8
97.02931	1.5
97.06625	0.3
99.00879	0.5
99.04530	0.2
99.89055	0.2
101.02446	9.0
102.02769	0.2
109.02996	0.2
110.57341	0.2
111.00874	0.2
111.04507	0.3
111.08113	0.3
113.02452	4.7
113.09749	0.4
115.03983	0.3
116.92841	1.0
119.03498	3.3
121.02934	0.4
124.01681	0.2
125.02453	2.9
126.02810	0.2
131.03477	0.6
133.05107	0.3
139.04022	0.3
141.01927	0.2
143.03499	1.7
149.04539	0.3
161.04549	2.0
161.95459	0.2
167.03458	0.2
167.10815	0.3
177.12836	0.3
178.19005	0.2
179.05606	2.9
179.10759	0.2
179.14349	0.8
185.04434	0.2
187.94704	0.2
191.01949	0.2
195.13899	7.4
196.14594	0.8
205.12341	0.6
205.15952	0.3
209.02972	0.3
211.13385	0.6
221.06523	0.8
223.13382	5.8
224.13820	0.4
225.15010	0.2
228.13574	0.5
228.99223	0.2
231.21182	0.3
235.08208	3.3
236.08696	0.2
245.06493	0.2
249.22308	0.3
253.09221	0.9
256.13153	0.8
263.07660	0.4
265.21637	0.4
275.20142	4.5
276.20370	0.4
287.07712	0.7
293.21225	100.0
294.21558	9.6
305.08652	0.8
315.35110	0.2
317.21548	0.2
323.09729	0.6
379.12494	0.3
395.42056	0.2
397.13486	23.6
398.13840	1.6
415.14560	23.8
416.14893	1.8
444.40952	0.2
600.84882	0.2
624.71741	0.2
654.27448	0.6
691.35364	1.1
696.60791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2632
Annotation	Maytanbutacine
Peak:m/z	Relative Intensity
54.55406	0.5
56.04517	0.6
59.01379	2.4
61.98818	2.5
71.01391	1.3
71.04011	0.6
73.02944	0.7
74.31762	0.6
78.95903	1.3
81.50778	0.5
85.02950	1.8
88.98798	0.8
89.02431	0.8
96.96013	12.2
98.20291	3.8
98.95575	1.0
99.00887	1.1
99.92587	16.4
100.92574	1.0
100.93374	1.5
114.93424	2.0
115.92082	36.0
116.92861	100.0
117.92886	4.9
120.19630	0.7
126.90509	1.3
140.92796	0.8
142.94440	0.6
184.91849	1.6
191.01942	1.2
209.02934	0.7
238.27170	0.6
268.07205	0.8
310.13666	0.6
409.20523	3.9
485.72147	0.7
554.25769	1.3
569.24329	3.6
570.24872	1.0
586.34265	0.8
605.26624	3.6
611.25043	3.1
629.25909	1.1
647.27411	8.2
648.27789	1.8
691.26422	24.3
692.26660	5.5
710.44775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35637	0.7
55.01872	1.6
57.03448	13.5
59.01378	3.8
63.31123	0.6
63.58534	0.7
67.57733	0.7
70.00848	3.3
71.01388	0.8
82.95291	0.7
83.01382	2.2
84.02159	1.9
85.02949	100.0
86.03288	1.9
94.70400	0.7
96.95969	0.7
98.20549	1.3
99.19631	0.8
109.02948	1.1
111.00954	0.8
117.03463	3.6
119.05045	1.0
125.84869	0.7
129.01941	29.1
133.02956	4.2
134.03645	0.8
135.04523	14.6
145.02951	13.8
146.03239	1.2
147.02988	31.3
154.99803	0.8
161.02431	17.1
163.03955	0.8
173.00916	24.9
174.01233	0.8
179.03479	12.2
191.01964	64.0
192.02353	1.7
201.05493	2.0
247.06042	1.1
273.03836	1.0
291.04959	1.2
293.06622	1.8
309.06122	1.0
335.04089	6.6
336.04349	1.0
337.05515	3.9
353.05106	38.2
354.05402	3.2
371.75037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84925	1.1
57.03430	1.6
59.01382	12.1
61.98848	7.3
68.15203	1.2
70.48975	1.5
70.49308	3.0
70.79209	1.2
71.01376	8.3
71.05027	3.5
73.02943	2.0
81.03463	1.2
83.01371	2.4
83.05039	3.4
85.02938	4.4
87.00851	1.8
89.02437	3.9
96.95998	4.1
97.02938	3.2
97.06567	1.9
98.20181	2.3
99.00883	15.7
99.92590	2.0
101.02460	6.7
106.06606	1.3
113.02436	3.6
116.92860	6.3
122.93661	1.4
123.08131	1.6
125.09735	8.6
125.10482	1.4
126.90510	25.0
139.24667	1.2
161.04608	1.4
161.78076	1.1
163.11292	12.8
171.10303	2.5
177.84158	1.3
181.12349	17.9
185.11847	3.2
191.02034	1.8
199.13365	10.5
207.10228	21.8
209.11826	33.6
210.12292	1.9
221.17186	1.3
225.11337	32.1
226.11674	3.2
229.49104	1.7
230.62943	1.3
231.80988	1.3
237.10275	2.2
238.11177	1.9
239.11874	3.0
241.09741	3.5
243.12358	20.7
251.11729	2.4
253.09363	2.1
253.13452	2.5
255.11380	2.3
271.10913	5.2
291.19632	20.5
363.16943	1.6
388.16629	1.7
397.13373	8.3
415.14627	4.4
432.15527	3.9
461.20178	2.1
479.21298	8.3
552.21417	2.1
565.20667	1.7
568.08606	1.5
577.20490	2.1
584.24084	2.1
595.21954	3.7
609.23615	3.8
610.23895	2.2
615.24243	2.0
627.24518	13.4
628.24701	3.5
645.26337	6.8
646.26575	1.8
671.32648	3.8
689.33911	100.0
690.34143	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	687.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01381	6.3
61.98566	0.5
61.98822	5.2
69.03437	2.7
70.71590	1.4
71.01376	5.4
71.05009	2.4
73.02924	0.9
76.02708	0.5
76.31512	0.5
81.03455	1.3
83.01376	1.0
83.05031	3.0
84.02189	0.8
85.02946	1.6
87.00867	0.5
88.98801	0.8
89.02428	2.3
95.05013	0.8
96.96007	1.0
97.02946	0.9
97.06564	0.8
99.00914	0.5
101.02451	3.7
113.02434	1.6
116.92864	1.6
119.03551	0.7
123.08163	0.9
125.09695	1.6
126.90511	3.1
135.08156	0.7
151.11299	2.8
152.48758	0.6
153.12881	1.0
161.04555	0.9
161.09758	3.4
161.80783	0.6
163.11287	2.7
165.12799	1.8
179.10767	6.3
181.12325	1.7
182.02895	0.6
191.10849	1.0
197.11827	57.9
198.12122	2.2
207.10201	1.1
209.11819	42.8
210.12164	2.1
223.09767	0.9
225.11308	2.2
227.12883	2.8
241.10847	3.4
253.09203	3.6
459.18594	0.6
466.19800	2.3
477.19595	2.8
643.27484	1.0
669.31360	0.9
687.32300	100.0
688.32629	18.0
710.44427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26459	1.5
57.03447	2.2
59.01379	8.5
61.98833	8.8
67.17612	1.3
69.60033	7.8
71.01381	57.5
72.26154	1.2
73.02940	3.5
75.00868	1.5
81.03455	1.9
83.01398	1.2
83.05037	7.3
85.02973	5.9
87.00851	2.0
89.02433	3.0
95.05038	1.2
96.95984	2.8
97.02947	2.4
99.00898	1.9
101.02444	6.2
109.02930	1.4
109.06580	9.3
113.02442	2.5
116.92865	3.5
125.02471	1.8
125.09737	3.1
126.79424	1.2
126.90506	53.6
135.04565	1.8
135.08093	1.2
137.02380	1.3
163.11304	9.7
165.12819	2.3
171.10260	32.4
172.10530	1.4
179.03503	2.9
181.12308	3.7
185.11824	3.5
191.01981	2.2
197.11890	2.2
201.09589	1.3
201.11327	14.2
207.10229	21.2
209.11813	100.0
210.12164	4.4
223.04562	1.7
225.11282	22.2
226.11575	1.4
227.12885	13.7
235.08171	4.1
243.12331	2.2
251.12790	1.6
253.09277	10.0
255.11169	2.4
262.99216	1.3
291.19577	2.8
417.22998	1.3
435.23697	1.8
443.19165	1.5
461.20270	4.9
468.17993	2.7
653.31763	2.4
671.32874	4.4
689.33893	4.5
710.71375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
60.99306	0.3
61.98829	100.0
62.98532	0.1
66.89037	0.1
69.18768	1.4
71.01395	0.5
85.02950	0.4
88.98804	1.8
89.02468	0.3
96.96031	0.2
99.92588	0.2
109.72123	0.2
113.02421	0.2
116.92859	0.9
117.92903	0.5
118.92703	0.6
119.03454	0.2
120.85040	0.2
126.90515	0.4
163.86514	0.1
183.84253	0.2
223.13542	0.2
224.13789	0.3
284.03265	0.2
285.03992	0.2
297.18460	0.2
373.25934	0.3
399.14636	0.2
550.08533	0.2
580.35419	0.2
594.13818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.5
59.01385	5.1
61.98827	5.9
71.01370	3.6
74.38326	0.8
85.02927	0.9
89.02423	3.6
95.05029	1.0
97.06580	12.2
99.70397	0.7
101.02438	3.1
103.24731	0.7
113.02425	2.2
119.03523	0.8
119.10777	0.7
123.08160	7.2
125.09720	91.2
126.10040	3.6
127.59267	0.8
143.10738	1.7
157.19229	0.9
161.04451	0.9
169.08711	2.0
171.10208	2.1
179.05531	0.9
187.09750	67.5
188.10078	3.1
211.09825	0.9
253.09306	2.4
261.13351	1.3
277.21683	14.6
405.17529	4.1
423.18768	13.4
424.18881	1.3
458.94254	0.8
683.40076	100.0
684.40454	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89880	1.1
52.24629	0.9
56.41943	1.2
57.03441	4.7
58.00566	0.9
59.01372	4.4
61.36201	1.3
61.98812	2.5
62.25278	1.1
65.16270	1.0
70.69331	1.3
70.69666	2.4
71.01376	3.7
73.02947	1.3
73.21200	1.0
74.01847	1.0
76.16721	1.1
76.82771	1.0
87.00884	1.8
89.02437	2.5
94.62627	1.1
95.05035	1.3
97.06597	12.6
101.02442	4.0
113.02437	2.1
123.08174	6.4
125.09726	83.3
126.10069	1.9
145.05113	1.4
161.04526	1.6
169.08727	1.6
187.08133	1.7
187.09764	30.0
187.11403	1.7
188.10066	1.7
235.08217	3.7
253.09308	3.4
277.21707	38.9
278.22043	4.7
281.24670	1.1
405.17459	4.6
423.18564	4.4
479.63577	1.2
602.84381	1.1
641.03833	1.3
683.40076	100.0
684.40454	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	681.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
57.03452	0.4
58.00600	0.2
59.01109	0.3
59.01379	3.7
61.31029	0.2
61.98818	0.8
69.03435	0.7
71.01382	3.3
71.22269	0.3
72.96855	0.1
72.99312	0.3
73.02936	1.5
73.53256	0.1
78.95934	0.3
83.01389	0.4
84.39980	0.2
85.02950	1.1
87.00884	0.6
88.98805	0.3
89.02442	2.5
96.96018	0.5
97.02987	0.4
99.00857	0.3
99.92583	10.1
100.92593	0.3
101.02446	2.3
113.02447	1.2
116.92862	100.0
117.01938	1.9
117.92869	4.9
119.03525	0.6
125.02444	0.7
126.90469	0.2
131.91550	0.2
143.03439	0.2
156.76852	0.2
161.02440	0.3
161.04552	0.5
167.10750	0.4
175.07620	0.2
179.05615	0.4
179.14389	0.5
191.01889	0.3
195.13895	1.5
199.28052	0.2
205.12230	1.2
221.06805	0.2
223.13382	11.2
224.13724	0.6
230.61626	0.2
235.08185	0.5
253.09117	0.2
305.08664	0.2
397.13464	8.0
398.13785	0.7
415.14627	3.2
416.14981	0.3
621.27600	4.0
622.27734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42612	0.8
55.01879	1.2
57.03462	1.2
58.00593	1.1
59.01381	27.1
61.98833	8.4
69.03039	1.8
69.03439	5.2
69.73993	0.8
71.01385	18.9
72.99319	2.2
73.02974	4.7
73.03307	0.8
75.00844	1.5
83.01392	1.8
85.02937	9.0
86.00978	0.8
87.00877	4.6
88.98846	1.7
89.02444	17.0
95.01372	1.1
96.96011	5.5
97.02963	2.4
98.20612	2.0
99.00868	1.9
99.92599	11.3
100.92590	4.3
101.02442	16.9
101.92435	3.3
101.93023	0.9
109.06676	1.2
111.00906	0.9
112.89955	0.9
113.02449	7.9
116.92861	100.0
117.01952	2.9
117.92877	44.7
118.92637	35.3
118.93230	5.0
118.96938	1.2
118.99823	1.0
119.03522	5.2
119.94681	2.5
122.61665	0.8
125.02454	6.4
127.39629	0.8
129.03726	0.8
131.03543	1.1
141.26427	0.8
143.03493	2.2
161.04539	3.6
167.10771	4.0
179.05609	2.1
179.10820	1.9
179.14395	3.8
191.01984	1.3
195.13896	12.9
196.14165	1.2
205.12361	11.9
221.06642	1.4
223.13385	93.9
224.13777	7.2
235.08232	5.4
253.09364	1.7
283.59009	0.9
287.07813	1.8
305.08774	1.9
397.13486	73.4
398.13852	5.5
415.14572	29.0
416.15042	1.9
621.27545	35.7
622.27832	6.4
639.36273	1.3
681.31879	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	680.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29435	0.2
51.21085	0.2
59.01378	0.4
61.98845	1.2
62.28391	0.2
69.16950	0.8
69.17378	1.2
69.68961	0.2
71.01385	0.4
78.95905	5.1
79.95744	3.1
85.02933	0.3
96.96012	100.0
96.96908	6.1
97.95938	0.3
99.92583	2.2
100.92596	0.8
116.92860	23.7
117.01933	0.4
117.92871	7.9
118.92690	0.6
119.05029	2.0
126.90502	0.3
137.89021	0.2
144.91101	0.2
145.02957	0.6
175.94057	0.2
209.03291	0.2
342.14240	0.2
368.62622	0.2
462.20337	0.4
500.16153	0.2
573.82947	0.2
582.25995	2.1
583.26263	0.5
620.21368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
59.45243	0.1
61.98820	0.4
66.51223	0.1
68.78427	0.1
70.71366	0.1
70.71710	0.2
71.01384	0.2
73.02940	0.9
85.02975	0.2
88.98792	0.1
96.96034	0.4
99.00903	0.1
99.92583	9.4
100.92589	0.5
100.93268	0.1
114.93407	0.4
116.92861	100.0
117.01935	2.0
117.92867	4.8
164.73776	0.1
238.15053	0.1
495.76883	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	679.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65476	0.1
59.01353	0.1
61.98836	0.1
71.01382	0.1
73.02942	1.0
74.19322	0.1
78.95911	0.3
79.95734	0.2
85.02982	0.2
85.55626	0.1
96.79259	0.1
96.96013	6.3
96.96915	0.4
99.00882	0.2
99.92583	10.3
100.92605	0.5
100.93295	0.1
114.93417	0.4
116.92861	100.0
117.01943	1.6
117.92867	4.9
119.05008	0.1
126.90508	0.1
130.91452	0.1
145.02945	0.1
179.19527	0.1
179.80690	0.1
253.33359	0.1
334.85101	0.1
495.83148	0.1
519.27881	0.1
582.26080	0.1
620.21405	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	677.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06948	0.1
55.59894	0.1
58.02974	0.2
59.01379	0.2
59.71146	0.1
60.31450	0.1
69.37952	0.8
70.02977	0.1
71.01403	0.1
71.45946	0.1
72.62183	0.1
73.63573	0.1
80.05054	0.2
81.03455	7.0
83.05024	18.2
84.05347	0.4
85.02953	0.3
88.98779	0.1
96.95984	0.1
98.20223	0.5
100.07675	0.4
100.81297	0.1
107.06158	0.2
108.04568	0.5
125.07202	0.9
126.05609	0.4
128.91910	0.1
143.08229	0.5
157.13344	0.1
190.87122	0.1
199.18259	0.1
207.14983	1.5
208.13332	0.1
224.17677	2.9
225.16080	12.3
226.16458	0.7
232.74336	0.1
242.18756	0.7
250.15619	0.2
290.22629	0.2
291.20776	0.1
307.23843	0.1
308.23596	0.1
309.21783	0.8
324.26453	0.6
333.22879	0.9
339.27759	0.2
341.29175	0.9
351.24088	0.3
367.27011	1.1
407.33463	0.3
433.31851	1.4
450.34512	1.3
451.32898	7.1
452.33173	0.7
456.96973	0.1
476.32330	0.2
550.43524	0.9
551.43506	0.2
559.39502	0.4
565.44818	0.2
593.44012	0.6
659.48584	1.3
660.48779	0.3
677.49646	100.0
678.49969	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03429	1.0
58.00602	1.7
59.01379	35.1
60.01696	0.4
61.07965	0.3
61.98819	0.5
62.77293	0.3
65.73055	0.3
68.99815	0.5
69.03458	2.3
71.01379	32.4
71.52134	0.3
72.99314	2.4
73.02559	0.4
73.02946	5.2
75.00867	0.8
81.03447	1.3
83.01389	3.8
83.04980	0.3
85.02953	7.9
87.00873	8.2
87.04519	0.5
89.02443	29.3
90.02805	0.3
91.03991	0.6
95.01395	2.3
97.02953	5.7
99.00878	2.3
99.04497	0.6
101.02438	28.2
103.04025	0.4
109.02930	0.8
111.00868	0.5
111.04500	1.2
113.02445	12.6
115.04039	0.5
115.92094	0.3
116.92857	0.5
119.03492	8.6
119.04913	0.5
120.03795	0.3
123.04513	0.3
124.01637	0.4
125.02446	11.2
126.02809	0.3
127.04041	0.5
131.03482	1.4
133.05080	0.7
139.04018	0.8
141.01961	0.8
143.03496	5.0
149.04546	1.2
161.04546	6.2
163.04021	1.0
167.03467	0.6
171.02890	0.4
179.05606	5.7
185.04578	0.5
199.06053	0.6
203.05582	0.4
217.07196	1.2
219.05046	0.5
221.06609	1.8
235.08228	13.0
236.08551	0.3
241.52313	0.3
245.06662	0.7
253.09219	2.5
261.22275	0.6
263.07709	1.2
277.09274	1.2
279.23276	100.0
280.23633	9.1
287.07687	3.4
293.24991	0.4
305.08725	3.3
323.09903	1.7
361.11383	0.4
379.12381	0.9
397.13483	85.6
398.13818	6.9
415.14536	34.9
416.14780	2.7
470.65668	0.4
527.27197	0.4
677.37915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66314	0.5
55.01873	1.0
56.39448	0.5
57.03435	1.1
58.00583	1.5
59.01379	34.9
59.62121	0.6
61.98816	1.0
62.09835	0.4
68.99786	0.6
69.03451	2.0
71.01380	34.2
71.21418	0.8
72.99294	2.4
73.02937	5.3
75.00868	1.0
77.08858	0.5
81.03467	1.2
83.01388	3.8
85.02952	8.3
87.00872	6.6
89.02444	29.7
91.03984	1.2
95.01383	2.0
97.02937	5.0
99.00875	2.0
101.02441	29.9
103.00414	0.6
106.16515	0.5
109.02991	0.7
111.04520	0.8
113.02449	14.3
115.03989	0.7
119.03504	9.0
124.90404	0.6
125.02450	12.4
131.03468	1.5
133.05078	0.8
137.02484	0.6
137.94713	0.6
139.04025	1.2
141.01910	1.0
143.03508	5.9
149.04497	1.3
161.04558	6.7
167.03423	0.6
169.05057	0.6
179.05609	5.4
185.04509	0.6
203.05615	0.9
217.07225	1.0
221.06650	2.5
235.08200	14.7
245.06650	1.0
253.09308	3.3
263.07700	1.2
277.09259	0.6
279.23279	100.0
280.23642	8.5
287.07700	3.5
305.08792	3.6
323.09845	1.5
379.12268	1.0
397.13486	88.0
398.13849	5.7
415.14551	34.9
416.14767	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	677.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77791	0.1
53.54939	0.1
59.01375	0.2
61.98536	0.2
61.98834	2.1
71.52029	0.1
73.02950	0.4
85.02959	0.3
88.98824	0.1
93.40759	0.1
96.39193	0.1
96.96011	0.2
99.92583	9.5
100.92605	0.5
105.95099	0.1
114.93409	0.4
115.92092	0.1
116.92862	100.0
117.01942	1.0
117.92876	4.6
117.93773	0.1
171.10295	0.1
209.11922	0.1
231.28345	0.1
290.75220	0.1
291.01920	0.1
304.36902	0.1
602.99414	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	677.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98822	1.1
69.29898	0.1
71.01370	0.1
71.22086	0.2
73.02947	0.4
74.62623	0.1
85.02959	0.6
92.81034	0.1
96.95981	0.3
99.92580	9.5
100.92603	0.5
104.91978	0.1
114.93417	1.1
115.92104	0.2
116.92859	100.0
117.01936	1.0
117.92866	4.6
161.90186	0.1
171.10324	0.2
191.02020	0.2
253.13441	0.1
327.21689	0.2
349.19894	0.2
458.52661	0.2
510.04599	0.1
523.68103	0.1
614.26526	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	677.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35931	1.2
55.01888	1.5
57.03446	16.4
59.01387	3.0
68.99800	1.7
70.30702	2.5
70.31097	2.3
71.01393	3.0
73.02950	1.7
83.01385	4.4
84.02161	1.9
85.02954	100.0
86.03300	2.6
96.96041	2.3
98.20184	2.4
101.02450	1.8
109.02998	3.0
111.00887	2.0
117.03485	1.6
122.02487	3.4
123.04438	1.6
129.01941	70.7
130.02286	1.8
131.65726	1.2
133.02959	14.3
133.65877	1.3
134.03764	1.8
135.04523	39.6
136.04865	2.1
137.02461	1.4
147.02994	53.3
148.08852	1.2
161.02438	49.2
162.02829	2.5
173.00909	63.4
174.01234	1.5
179.03499	28.2
180.03796	2.2
191.01909	3.2
201.05515	6.2
203.07024	1.4
203.15729	1.4
209.03090	1.8
216.04314	1.7
219.06541	2.2
245.04434	2.6
247.06093	3.8
253.85332	1.3
291.05194	3.8
309.06122	1.5
323.08096	1.7
335.04114	17.3
336.04538	1.6
353.05139	92.3
354.05402	7.4
371.64490	1.3
374.73724	1.3
377.47324	1.4
501.62720	1.3
536.89233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.9
58.02976	1.9
59.01378	7.4
67.52256	0.8
68.99792	1.4
69.95818	1.7
69.96174	4.6
71.01382	15.1
72.99300	3.6
73.02978	1.2
74.02470	5.9
74.96839	1.0
75.00880	2.2
82.02961	1.6
83.01385	1.8
84.02134	2.4
85.02950	84.0
86.02506	1.9
86.03288	1.7
87.00891	2.3
87.05612	1.6
88.23056	1.0
89.02464	4.7
96.96018	1.0
97.04133	0.9
99.05630	4.6
101.02466	1.3
101.68457	1.1
103.00362	2.1
111.00870	5.5
115.00339	2.1
128.03540	18.0
129.01956	8.1
133.01437	6.3
133.02951	2.9
135.04538	1.0
137.00638	1.9
139.02229	6.0
141.06659	1.4
143.04617	20.5
144.04903	1.2
145.06204	2.4
146.04567	1.8
147.02988	4.4
153.06631	1.1
160.01648	2.3
161.02423	1.5
165.00114	4.7
166.09827	1.7
167.01720	68.5
168.02048	3.6
171.40012	0.9
173.00920	1.9
179.04613	4.6
185.05624	0.9
191.01976	37.3
192.99634	27.3
193.99950	1.9
209.03023	100.0
210.03329	3.0
210.08818	5.1
211.00705	25.5
212.01125	1.0
254.07852	8.6
268.02811	2.7
272.08868	61.1
273.09137	3.6
279.50037	1.3
306.07651	1.1
379.06110	1.9
385.02185	1.6
403.03424	3.8
440.11472	6.0
441.11276	0.9
448.08307	1.4
466.09238	37.9
467.09610	4.2
472.33398	1.2
484.10098	3.0
658.12659	1.7
676.12933	17.7
677.13068	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	676.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46851	1.0
55.01870	1.8
57.03448	7.9
58.02966	1.4
59.01379	8.2
71.01379	15.7
71.50388	1.5
72.99294	2.6
74.02479	3.9
75.00877	3.1
83.01386	2.2
84.02182	2.4
85.02949	82.8
86.02478	1.9
86.03289	1.8
87.00884	2.3
87.05625	0.9
88.98804	1.0
89.02441	6.9
96.95987	2.7
99.05629	3.4
103.00358	2.1
111.00870	3.0
115.00378	1.0
127.05078	1.4
128.03560	13.7
129.01962	5.3
133.01427	7.3
133.02948	2.2
135.04497	1.4
137.00716	1.2
139.02225	4.0
140.75943	1.0
143.04610	16.1
145.06223	1.0
146.04619	1.8
147.02969	4.3
147.26257	1.0
160.01576	1.5
165.00081	3.2
167.01712	53.1
168.02063	2.1
170.98405	0.9
179.04604	3.1
182.79990	1.0
191.01971	21.9
192.02385	1.0
192.99632	22.6
193.99924	1.2
209.03014	100.0
210.03346	3.2
210.08813	3.8
211.00670	19.9
235.06789	0.9
251.20268	1.0
254.07741	6.4
264.85681	1.2
268.02808	2.3
272.08868	46.4
273.09265	2.6
379.06039	1.8
400.96286	1.2
403.03302	3.5
440.11130	4.1
448.07962	1.2
466.09204	24.5
467.09445	3.2
484.10596	2.0
658.12048	3.0
676.12775	10.1
677.13373	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	676.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81787	1.0
52.06057	0.7
55.01871	1.8
57.03450	9.9
58.02966	1.5
59.01372	8.3
68.99811	1.4
71.01378	14.5
71.27315	0.9
72.99302	3.1
74.02476	4.3
75.00869	3.8
83.01378	3.0
84.02161	1.9
85.02950	82.6
86.02433	1.8
86.03284	1.0
87.00871	2.0
87.05646	1.1
89.02445	3.9
97.44144	0.7
99.05641	3.3
101.02420	0.9
103.00388	2.0
111.00870	5.9
115.00392	1.0
117.17126	0.8
127.05161	0.8
128.03551	14.2
129.01941	7.1
133.01413	5.4
133.02942	3.4
137.00677	1.7
139.02258	5.0
143.04626	18.8
144.04930	1.2
145.06184	2.5
146.04590	2.8
147.03011	3.9
160.01631	2.7
165.00177	3.1
167.01717	65.6
167.08199	0.9
168.02049	1.9
173.00896	2.0
179.04651	5.1
191.01981	30.0
192.99632	25.7
193.99969	1.1
209.03021	100.0
210.03387	4.0
210.08823	5.3
211.00697	23.5
239.76100	0.7
254.07877	8.5
264.32040	0.7
268.02829	2.3
272.08887	54.2
273.09052	1.8
322.03830	0.9
331.23541	0.8
379.06110	2.6
385.02271	1.9
403.03387	5.0
440.11057	6.2
448.08340	2.3
466.09250	36.2
467.09485	4.0
484.10498	2.3
658.11810	3.2
676.13013	14.1
677.13641	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03448	1.4
57.96298	0.2
58.00592	2.3
59.01378	48.4
60.01717	0.4
63.40409	0.2
67.01884	0.3
68.99815	0.6
69.03456	2.2
71.01379	42.8
71.05016	0.2
72.01721	0.5
72.99299	3.1
73.02943	6.4
75.00873	1.0
81.03443	1.9
83.01385	4.2
83.05039	0.5
85.02951	8.6
86.00103	0.4
87.00874	9.7
87.04498	0.3
89.02441	35.6
90.02786	0.5
91.03994	1.0
93.03455	0.5
95.01384	2.8
95.05048	0.2
97.02948	7.0
98.20126	1.3
99.00877	2.4
99.04514	0.7
101.02438	34.9
102.02792	0.6
103.00362	0.2
103.04018	0.4
107.05042	0.2
109.02948	0.9
111.00905	0.6
111.04493	1.3
112.01677	0.3
113.02446	16.3
113.06016	0.2
114.02834	0.4
115.04015	0.9
119.03495	10.4
120.03816	0.3
121.02950	0.9
123.00875	0.3
123.04473	0.4
124.01651	0.5
125.02448	14.7
126.02791	0.6
127.03958	0.5
127.07683	0.4
129.01927	0.2
131.03510	1.7
132.91696	0.2
133.05075	1.4
137.02448	0.3
139.04001	1.5
141.01952	0.6
143.03496	7.0
144.03697	0.2
149.02594	0.3
149.04572	1.2
155.03468	0.4
157.05095	0.4
161.04553	8.4
167.03519	0.7
169.05084	0.6
171.02994	0.4
179.05598	7.3
181.05046	0.3
185.04536	0.7
195.72852	0.2
199.06104	0.6
199.50572	0.2
202.22778	0.2
203.05545	0.5
212.36441	0.2
217.07185	1.2
219.05150	0.6
221.06662	3.1
222.06859	0.2
224.13936	0.2
229.06792	0.2
233.22650	0.3
235.08211	15.6
236.08607	0.6
245.06622	1.2
253.09276	3.8
254.09631	0.2
259.08417	0.3
259.20691	0.4
263.07648	1.7
268.25095	0.2
275.20209	0.5
277.09555	1.3
277.21701	100.0
278.22055	9.2
287.07697	3.9
288.08139	0.3
291.23352	0.3
305.08749	4.6
323.09772	2.1
361.11340	0.6
379.12424	1.1
397.13477	97.0
398.13770	7.0
415.14529	37.7
416.14877	3.4
505.94757	0.2
640.98682	0.2
675.36011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71256	0.2
55.01877	1.4
57.03444	1.2
58.00597	2.2
59.01379	47.1
60.01705	0.5
61.98822	0.2
67.01891	0.3
67.96097	0.2
68.99832	0.4
69.03458	2.7
70.25806	0.6
71.01380	39.3
72.01720	0.4
72.99307	2.9
73.02946	6.5
75.00875	1.0
79.01894	0.2
81.03456	2.1
83.01385	4.2
83.05032	0.5
84.02196	0.2
85.02948	8.6
86.00105	0.4
86.03273	0.3
86.85486	0.2
87.00874	9.7
87.04498	0.3
89.02443	35.9
90.02777	0.5
91.04018	0.8
93.03465	0.4
94.07599	0.2
95.01392	2.9
95.05019	0.4
97.02947	6.4
98.03272	0.2
99.00869	2.2
99.04535	0.5
101.02441	32.8
102.02779	0.6
103.04021	0.3
107.03485	0.4
109.02962	0.7
111.00888	0.7
111.04530	1.1
113.02446	15.9
114.02764	0.4
115.04014	0.7
117.54921	0.2
119.03497	10.7
120.03876	0.2
121.02977	0.7
123.04510	0.5
124.01684	0.5
125.02444	14.2
125.40848	0.2
126.02784	0.3
126.50877	0.2
127.04008	0.7
127.07650	0.2
129.01958	0.3
131.03497	1.7
133.05055	1.5
137.02534	0.3
139.04004	1.1
141.01932	0.7
143.03496	6.3
143.04643	0.4
149.02429	0.3
149.04562	1.0
153.49966	0.2
153.62393	0.2
155.10960	0.2
161.04558	7.7
161.05891	0.4
162.04886	0.3
167.03485	0.8
169.05086	0.4
171.03061	0.4
176.44168	0.2
179.05603	7.5
180.05969	0.3
185.04523	0.8
193.67242	0.2
199.06148	0.6
202.30443	0.2
203.05600	0.6
205.19380	0.2
217.07086	1.3
218.34331	0.2
219.04959	0.4
221.06653	2.4
233.06648	0.2
233.22899	0.3
235.08215	16.2
236.08603	0.6
237.06158	0.3
245.06624	1.0
253.09265	4.0
259.08026	0.2
259.20605	0.4
263.07660	1.9
275.20117	0.5
276.58850	0.2
277.09668	1.2
277.21698	100.0
278.22046	9.6
287.07681	4.2
288.08179	0.3
305.08792	4.0
306.09055	0.4
323.09729	2.7
361.11346	0.6
379.12405	1.3
397.13474	97.9
398.13815	7.0
415.14542	40.4
416.14883	3.2
521.34247	0.2
675.36176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35835	0.4
54.05504	0.4
55.01868	1.3
56.99852	0.4
57.03447	11.3
59.01380	3.7
63.02380	0.4
69.73145	2.2
71.01379	1.5
72.99305	1.1
83.01383	1.9
83.60928	0.4
84.02161	2.7
85.02949	100.0
86.03277	1.9
98.20649	0.5
100.63020	0.4
101.79164	0.4
103.00346	1.1
111.00881	0.8
115.44947	0.4
117.03454	2.5
119.05037	2.5
129.01935	4.1
145.02948	14.2
147.02991	21.2
163.04018	3.8
173.00934	2.9
187.07568	0.4
191.01967	95.5
192.02296	2.6
209.03113	1.4
215.75853	0.5
293.06677	10.5
294.07019	1.0
337.05649	15.0
338.05972	1.2
516.37909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
56.55460	0.3
57.03449	13.3
58.03800	0.4
59.01366	0.8
71.01379	1.3
73.52433	0.3
74.02468	1.2
75.82384	0.3
75.82879	0.3
83.01382	1.3
84.02163	1.0
85.02950	100.0
86.03279	1.9
89.40693	0.3
101.02472	0.3
111.00874	3.1
116.03515	0.6
119.05025	9.1
121.82708	0.3
125.34483	0.3
129.01941	37.3
130.02272	0.8
135.04524	0.4
138.91074	0.4
145.02933	1.3
147.02983	2.6
163.02600	0.4
163.03992	8.2
164.04295	0.5
173.00903	17.3
191.01947	4.0
209.03011	1.9
223.04543	0.9
261.08820	1.5
293.06769	1.0
337.05640	24.4
338.05905	1.5
428.46838	0.4
659.08362	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03453	0.2
59.01107	0.2
59.01379	1.9
61.98830	0.8
71.01373	1.5
71.05022	0.1
71.52715	0.2
72.99307	0.2
73.02945	0.2
78.95905	0.2
79.89913	0.1
80.02671	0.9
81.03449	1.0
83.01385	0.3
83.05023	4.3
84.02152	0.9
85.02948	1.0
87.00854	0.3
87.64722	0.1
88.98755	0.3
89.02450	1.2
93.03455	0.3
95.01385	0.2
95.05042	0.6
96.96004	0.5
97.02943	0.2
99.00874	0.2
101.02440	1.6
103.76192	0.1
109.06587	0.3
113.02434	0.7
116.92860	0.3
119.03503	0.6
125.06102	0.5
125.09693	0.2
127.11323	0.2
128.03592	0.2
135.08183	0.6
143.03532	0.3
143.04651	0.1
145.05016	0.2
147.02983	0.1
151.00450	0.1
161.04552	0.7
163.09920	0.2
163.11287	3.4
164.11607	0.2
165.12833	1.9
171.10254	1.5
172.10638	0.1
181.12323	0.5
185.11859	0.2
191.10776	0.9
199.13370	0.1
209.11815	100.0
210.12154	5.5
221.11852	0.3
227.12881	13.1
228.13211	0.8
235.08160	1.7
247.13470	0.8
253.09276	5.3
253.13313	0.2
254.09647	0.2
265.14417	0.3
271.02472	0.4
287.01974	0.4
315.01459	0.7
316.02231	0.4
401.23233	0.3
416.61520	0.1
419.24829	0.1
445.20816	1.1
461.06970	0.2
462.07892	1.1
463.08261	0.2
463.21564	0.2
593.29474	0.1
611.30847	0.2
637.32623	0.5
655.33618	0.4
673.31793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
57.03443	16.3
59.01394	1.9
71.28682	1.9
73.64362	1.4
83.01391	7.8
85.02950	84.5
86.03256	1.9
90.86216	1.7
97.03886	1.4
101.87891	1.8
103.00280	1.8
106.96300	1.5
117.03453	4.9
119.04373	1.6
119.05041	15.1
120.05351	1.8
129.01941	48.9
145.02948	23.5
147.02995	25.7
150.69609	1.9
153.09880	1.6
154.99844	1.8
163.03993	12.4
173.00900	44.4
203.07059	4.5
231.06602	6.5
263.83786	1.7
275.05536	3.3
319.04584	9.1
337.05618	100.0
338.05908	10.4
514.60547	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	673.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19313	0.5
57.07971	0.5
59.01369	1.6
61.98829	4.9
64.01893	0.8
64.57221	0.5
69.36622	2.2
69.37050	2.2
71.01384	0.9
80.96554	0.5
85.02950	2.0
88.98777	0.8
90.03524	0.7
94.02995	1.4
94.06644	0.6
96.96028	1.3
101.02454	0.8
106.06612	2.1
108.90192	0.8
116.92860	1.4
118.02995	11.3
121.05315	0.7
122.06086	1.4
124.07697	1.1
126.90491	1.8
126.97323	0.5
129.01939	0.7
132.08142	1.1
134.06084	1.9
135.04486	0.8
136.07666	10.2
138.12976	0.5
153.09351	0.6
160.07658	2.4
191.01982	1.0
205.43062	0.6
211.12352	1.1
213.10359	1.7
222.07939	0.6
223.08783	1.2
225.06757	1.2
225.10289	2.2
226.07425	2.7
227.08206	1.4
227.11905	0.7
236.09477	1.8
237.10344	3.6
238.11121	12.2
239.08179	0.7
239.11612	1.3
240.08963	2.7
241.09831	3.4
243.11331	6.9
251.11925	3.7
252.12378	0.7
253.09796	1.4
253.13445	19.9
254.13724	1.5
255.11375	16.4
256.11639	1.5
257.12946	2.1
258.49182	0.6
265.09866	0.9
270.09769	0.6
271.10846	2.3
271.88739	0.6
273.12473	5.2
281.09293	2.4
283.11041	0.7
283.14481	1.3
285.12476	0.8
299.10297	4.3
327.13373	0.8
336.13660	1.0
360.13388	1.7
362.14783	0.8
368.13528	0.6
374.15015	1.6
375.15820	2.4
386.15244	0.9
388.16711	3.2
390.18188	22.9
391.18509	2.8
414.18182	2.1
422.17105	3.6
423.18314	0.8
434.17212	8.5
452.18094	6.6
453.18579	0.8
478.19888	1.3
493.22256	1.3
506.19226	0.6
507.19861	0.9
519.20514	1.3
520.20856	1.2
535.23517	5.8
536.23932	0.7
553.24597	4.7
554.25153	0.9
561.21582	1.1
579.22388	14.0
580.22906	2.6
593.23975	0.7
597.23511	14.8
598.23761	2.7
599.24902	2.1
611.25049	10.0
612.25342	1.9
629.26135	100.0
630.26471	16.3
657.87958	0.6
676.56927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22012	1.2
57.03441	1.0
59.01368	5.7
59.18644	1.0
60.99275	1.2
61.98840	8.2
69.32138	10.2
71.01377	2.2
76.81803	1.3
78.95886	1.4
80.05064	2.0
85.02932	4.3
88.98794	7.9
92.05047	2.8
96.96030	2.1
99.92607	1.9
102.85954	1.2
103.04485	1.1
106.06630	24.7
108.08191	1.9
116.92849	9.9
118.06596	1.4
122.06111	7.6
124.07671	1.7
126.90480	13.7
128.03564	2.0
128.82776	1.3
132.08168	5.4
134.06137	7.8
134.89465	1.4
136.07654	1.7
138.05630	1.4
140.07130	1.4
146.06189	1.6
152.07141	4.8
160.07680	4.8
160.28297	1.3
170.09622	1.7
178.05106	1.5
178.82364	1.5
186.12918	9.1
191.01884	2.0
195.09207	1.3
201.07965	6.0
209.11908	3.6
209.68999	1.1
211.12299	6.9
213.10271	1.4
215.09477	4.2
223.08739	5.1
223.12245	1.4
225.06581	2.6
225.10254	6.5
226.07518	9.0
227.12782	2.0
228.10226	1.5
229.10893	1.8
230.11880	10.7
236.09528	7.9
237.10239	5.2
238.11096	36.9
239.08206	3.2
239.11624	2.8
240.09090	7.2
249.10168	2.9
251.11893	30.2
252.12546	6.6
253.09451	3.1
253.13457	65.8
254.10449	3.8
254.13739	4.7
255.11388	77.3
256.11688	3.9
257.12961	11.8
258.13269	1.5
267.11337	1.9
269.12692	1.6
273.12384	2.9
279.11508	5.8
283.11401	1.2
283.14505	7.5
285.12387	3.5
295.10809	2.2
297.12390	5.1
299.10422	1.5
313.12405	1.8
323.10257	2.2
325.11386	1.6
327.13477	4.3
329.15060	3.5
355.12885	5.0
361.46173	1.4
365.18866	1.3
409.17545	1.5
412.16360	1.7
423.34213	1.4
434.17270	3.8
444.19006	1.6
462.07794	1.7
491.24011	1.7
510.23947	5.0
535.23486	14.5
536.23688	1.5
554.22784	8.1
567.25775	1.4
579.22437	57.5
579.31598	3.1
580.23096	10.1
586.25366	15.2
587.25586	4.5
597.23962	4.2
611.25085	100.0
612.25427	20.0
629.26215	33.1
630.26831	7.9
647.16541	1.4
670.20648	1.4
673.31305	1.9
704.98889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95021	0.7
57.03429	1.2
57.13713	0.7
59.01378	1.6
61.98824	4.1
64.26815	0.7
65.00352	1.5
68.92492	0.8
71.01387	0.9
71.51627	1.0
71.66561	0.8
74.02487	1.5
83.01418	0.7
85.02949	3.1
90.97843	0.7
96.96033	1.2
99.04530	0.8
101.97858	0.8
107.01392	1.6
109.02956	0.8
112.04375	0.8
121.02970	1.7
125.02528	1.0
148.01675	1.3
151.00380	9.7
157.10242	0.7
161.02414	0.8
163.00420	1.8
178.99883	4.2
179.50723	0.8
189.43480	0.8
191.01956	0.9
193.17743	0.9
201.16028	0.9
211.03915	1.4
226.02667	1.1
227.03452	2.3
243.03026	6.9
244.03294	1.0
245.04416	1.0
245.09305	2.9
246.09547	1.5
247.10023	1.0
254.02142	1.6
255.02983	19.8
256.03323	1.4
271.02463	37.9
272.02820	4.3
273.04047	1.1
299.01920	1.3
300.02747	84.0
301.03452	28.9
302.03647	1.0
428.92859	0.8
447.09586	2.0
609.14581	100.0
610.14905	12.5
617.13324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
60.99297	7.2
61.98832	12.9
71.01373	2.7
71.52225	2.8
73.02952	5.9
74.91657	1.6
77.01208	1.6
78.95916	2.1
80.05067	2.9
85.02966	4.6
85.52763	1.7
88.98809	48.7
89.02444	2.5
99.92583	1.9
101.02439	2.5
105.65037	1.7
106.06668	4.2
108.04571	10.5
110.07567	1.6
114.66494	1.7
116.92885	9.2
124.07704	8.5
126.90516	2.7
134.06107	5.0
136.07689	23.1
150.05659	1.6
163.11362	2.4
164.07179	2.0
177.64091	1.7
181.12338	4.1
185.92860	1.6
195.09296	3.1
207.10233	9.2
209.11873	19.6
225.11502	14.3
227.12727	2.9
237.10344	6.4
239.11969	2.9
255.11401	5.1
257.12952	64.8
257.15668	3.3
258.13284	2.2
269.12781	2.0
277.09753	3.6
279.11349	6.7
281.09229	1.8
296.11774	1.8
299.14224	1.6
311.13922	7.3
376.39359	1.7
461.20276	4.1
476.22238	8.6
595.25702	38.0
596.25964	6.0
598.21100	3.0
599.21155	3.1
627.28210	100.0
628.28711	19.0
653.31323	2.1
671.31781	3.0
672.32074	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	671.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98656	0.9
57.03424	1.0
59.01379	3.5
61.98830	10.3
65.99866	1.0
71.01381	1.9
71.52720	1.4
71.86442	0.8
74.90940	0.8
76.06404	0.8
80.05054	1.8
85.02947	3.4
88.98800	2.9
89.02446	1.6
90.00533	0.9
95.25099	0.9
96.95975	1.4
101.02444	0.9
105.01891	0.9
106.06606	2.7
108.04565	9.6
116.92875	5.7
126.89570	0.8
126.90486	2.0
132.08182	1.9
134.06068	1.9
134.89479	1.2
136.07678	15.7
137.01123	1.1
147.03221	1.5
160.07680	2.4
162.05609	8.4
197.04510	1.1
209.03059	1.1
211.12428	2.0
223.08754	1.5
225.10446	1.9
227.08209	3.1
237.10219	1.6
238.11113	17.9
239.11478	1.8
242.06934	1.3
242.10612	1.2
243.11339	3.8
251.11810	2.3
253.09683	5.0
253.13441	32.1
254.13750	1.8
255.07823	1.0
256.08420	1.3
270.10034	1.3
271.10867	76.7
272.11136	5.0
313.11795	4.2
430.17767	1.2
450.16702	13.2
451.17096	2.0
476.18500	1.9
551.23010	6.4
552.23578	1.4
595.21979	14.3
596.22528	3.6
627.24561	100.0
628.24829	20.9
628.34454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52950	0.3
57.03449	5.9
58.02976	6.0
58.04305	0.3
59.01381	4.7
70.02979	5.4
71.01369	0.8
72.00913	2.2
72.04553	1.3
72.99292	0.3
73.02940	0.5
74.02473	33.6
75.02805	0.3
85.02960	2.5
93.93975	0.3
96.96008	0.9
98.02474	8.4
99.04519	5.4
101.02440	2.6
116.03554	9.2
116.05055	11.9
117.05385	0.7
125.02446	1.8
129.01921	0.6
130.06607	1.5
142.06615	3.4
156.08168	0.4
159.09256	3.4
161.04623	0.5
183.09276	1.0
186.05630	0.7
191.01936	0.9
201.10287	2.8
203.08253	36.7
204.08578	2.2
209.03053	0.7
235.11819	2.0
245.09290	100.0
246.09631	6.5
251.39029	0.4
277.13000	1.5
289.08325	0.9
317.15997	0.4
379.16071	5.2
380.16434	0.4
455.76447	0.4
527.77374	0.3
547.09247	0.3
653.79913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
60.99307	15.9
61.98825	3.6
70.71217	0.5
70.71551	0.7
71.01365	0.4
75.97625	0.3
85.02943	0.6
87.00890	0.9
88.00392	1.1
88.98804	100.0
89.02432	2.8
89.99140	0.7
105.86732	0.3
116.92838	0.7
126.90482	0.5
141.01715	0.8
197.07532	0.3
587.94464	0.4
637.23071	0.5
658.68286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08324	0.3
59.01392	1.6
60.99307	16.0
61.98835	3.3
71.52164	0.3
79.45350	0.2
85.02957	0.3
87.00875	1.0
88.00400	1.2
88.98806	100.0
89.02452	2.9
89.99136	0.9
109.28480	0.3
116.92864	1.0
134.50462	0.3
141.01761	0.6
217.98212	0.3
236.69257	0.3
355.16095	0.4
416.42056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39852	1.5
59.01386	24.0
61.27651	1.2
61.98834	9.8
69.03455	1.8
69.54756	3.1
69.55166	7.0
71.01382	21.1
72.99312	3.0
73.02956	3.3
75.00852	1.5
78.95895	1.4
83.01392	2.7
83.91712	1.3
85.02949	11.8
87.00872	4.9
88.98825	5.0
89.02431	15.8
96.96011	5.4
97.02945	3.9
98.19874	1.7
101.02453	17.7
113.02453	7.6
116.74827	1.4
116.92891	4.9
119.03497	4.8
121.02934	2.3
125.02466	7.8
126.90501	5.1
135.04538	2.0
139.03957	1.2
143.03519	3.3
151.00336	1.8
154.92560	1.3
161.04547	4.1
179.05563	2.7
183.13924	6.6
193.12318	2.4
209.03030	1.9
211.13388	100.0
211.61874	1.5
212.13760	4.8
235.08208	5.3
253.09286	1.4
283.02441	2.0
287.07761	2.3
305.08719	4.1
309.07343	1.5
317.09982	1.4
397.13470	64.7
398.13763	6.0
415.14584	27.0
507.07257	4.9
507.57431	1.5
609.27545	17.0
639.24854	3.2
651.24652	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	669.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	0.6
70.92182	0.9
71.01385	1.9
72.99316	2.3
77.16867	0.4
79.95752	1.2
83.01390	1.2
83.08208	0.5
85.02947	2.6
96.96011	16.4
97.95967	0.7
98.95596	8.3
98.96426	1.2
99.00864	3.8
99.01357	0.4
99.92587	24.8
100.92712	0.7
100.93350	5.3
106.00590	0.5
113.92679	0.5
115.92077	100.0
116.92080	4.1
116.92864	9.9
117.92475	0.5
121.02955	4.8
122.95410	0.6
123.00885	0.8
129.01949	1.6
132.92378	1.2
138.94940	1.8
139.00438	0.5
153.01971	1.0
153.05574	3.5
156.92337	0.5
164.07199	0.9
166.94391	1.7
168.49246	0.4
169.01437	0.4
170.93910	0.5
184.95479	10.5
191.02007	0.6
194.93896	0.6
197.04570	4.9
206.93893	1.6
209.03003	0.8
210.93378	5.2
218.18079	0.5
221.96342	1.4
222.93393	1.2
223.04597	0.5
228.94432	0.9
237.83253	0.4
237.95813	1.6
250.92732	0.6
265.95203	3.1
280.97592	4.5
281.97797	0.6
294.95438	1.3
296.97141	1.8
312.96579	5.7
313.96851	0.9
322.98669	0.5
357.63809	0.4
364.99780	0.8
371.07092	0.5
378.97610	1.1
390.97821	1.4
408.98651	25.2
409.98895	2.4
461.01859	1.4
467.63913	0.5
607.03888	6.0
608.03583	0.9
612.42096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69366	0.2
51.00234	0.2
54.22126	0.2
57.03439	0.2
59.01387	1.1
60.99307	16.1
61.98833	0.7
64.87563	0.2
71.01355	0.5
71.52097	0.4
83.01398	0.4
85.02958	1.8
88.98805	100.0
89.02454	0.4
89.99152	0.7
92.13796	0.2
95.10642	0.2
101.02449	0.3
106.83123	0.2
113.02470	0.3
116.92855	0.6
119.05041	0.3
126.90564	0.4
135.21613	0.2
147.03003	0.3
151.00351	0.5
191.01973	0.5
209.03090	0.4
220.07867	0.2
255.11258	0.2
579.17114	0.7
580.17816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83059	0.3
59.01367	1.1
60.99308	13.5
61.98835	1.5
68.93840	0.3
69.46862	0.4
69.47272	1.6
71.01387	0.4
73.02939	0.3
74.21582	0.2
77.39487	0.2
78.95895	0.3
85.02944	1.0
88.00423	0.3
88.98806	100.0
89.02449	1.2
89.99138	0.9
92.54308	0.3
96.96009	0.6
101.02406	0.4
105.01928	0.4
112.82468	0.3
116.92846	1.2
117.92879	0.3
120.09606	0.3
122.42259	0.3
126.90511	0.9
127.51759	0.3
129.01932	0.3
225.11418	0.3
276.37445	0.3
305.17679	0.4
398.61813	0.3
460.03610	0.3
470.97266	0.3
667.39288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49192	0.3
59.01379	1.1
60.99307	15.0
61.98817	1.8
71.01385	1.0
73.02962	0.3
85.02950	1.2
88.00396	0.4
88.98808	100.0
89.02447	1.5
89.99150	0.9
96.96019	0.7
99.92588	0.4
101.02446	0.3
116.92860	1.9
126.90536	0.7
147.02968	0.3
174.58444	0.3
214.56255	0.3
350.52298	0.3
502.32034	0.4
631.54163	0.3
667.39429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60234	0.4
57.03440	0.4
57.57091	0.3
59.01373	1.9
61.98818	0.4
69.68971	1.2
69.69385	0.9
71.01379	1.0
71.13743	0.3
72.99309	4.7
75.00875	1.8
78.95910	2.6
79.14478	0.3
85.02943	2.9
87.00873	0.6
96.96001	2.1
96.96959	2.9
98.20618	0.4
101.02460	0.4
105.01932	100.0
106.02274	1.3
111.00840	0.5
113.02375	0.3
116.92863	0.4
117.03439	0.6
119.05052	0.4
120.35830	0.4
121.02950	1.8
129.01915	0.8
132.02191	1.1
134.03737	15.3
137.02460	0.7
147.03026	0.3
149.06068	2.0
153.05597	0.4
160.00316	0.5
160.01665	8.6
163.03998	0.8
164.04349	0.4
165.01962	2.2
171.11684	0.4
175.03993	11.7
175.05527	0.6
176.04376	0.5
178.02728	2.6
191.02011	0.7
193.05045	29.0
194.05391	1.1
197.04527	1.1
209.03041	0.5
222.62411	0.4
281.06656	28.2
281.13666	2.6
282.07074	1.8
314.86771	0.3
363.05359	0.4
367.99744	0.3
389.60260	0.4
437.08731	0.8
455.09784	0.5
650.05847	0.3
667.09698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60234	0.4
57.03440	0.4
57.57091	0.3
59.01373	1.9
61.98818	0.4
69.68971	1.2
69.69385	0.9
71.01379	1.0
71.13743	0.3
72.99309	4.7
75.00875	1.8
78.95910	2.6
79.14478	0.3
85.02943	2.9
87.00873	0.6
96.96001	2.1
96.96959	2.9
98.20618	0.4
101.02460	0.4
105.01932	100.0
106.02274	1.3
111.00840	0.5
113.02375	0.3
116.92863	0.4
117.03439	0.6
119.05052	0.4
120.35830	0.4
121.02950	1.8
129.01915	0.8
132.02191	1.1
134.03737	15.3
137.02460	0.7
147.03026	0.3
149.06068	2.0
153.05597	0.4
160.00316	0.5
160.01665	8.6
163.03998	0.8
164.04349	0.4
165.01962	2.2
171.11684	0.4
175.03993	11.7
175.05527	0.6
176.04376	0.5
178.02728	2.6
191.02011	0.7
193.05045	29.0
194.05391	1.1
197.04527	1.1
209.03041	0.5
222.62411	0.4
281.06656	28.2
281.13666	2.6
282.07074	1.8
314.86771	0.3
363.05359	0.4
367.99744	0.3
389.60260	0.4
437.08731	0.8
455.09784	0.5
650.05847	0.3
667.09698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19847	1.2
71.51271	1.3
95.15553	1.2
160.03983	1.5
204.03011	1.7
218.04553	3.1
226.03770	6.1
239.04633	1.8
239.08183	1.5
240.05359	1.7
241.06166	1.8
248.14461	1.2
253.06181	1.5
253.09924	1.4
254.06825	1.9
255.07698	3.2
267.04141	7.1
267.07721	5.4
267.11295	3.6
269.09241	2.0
280.04831	2.0
281.05563	4.4
281.09146	2.5
282.06482	4.5
283.07147	4.4
283.10730	2.5
293.09409	1.5
294.06531	1.7
295.07208	16.0
296.07980	1.9
299.06714	2.1
309.08740	4.7
310.09406	3.5
311.10312	13.2
315.09912	4.6
327.09610	1.4
337.08203	5.1
415.77640	1.5
633.38843	3.8
665.41699	100.0
666.41992	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82098	0.1
57.03445	0.7
59.01374	0.2
59.78720	0.1
71.01373	0.4
71.51140	0.2
73.02956	0.1
78.57697	0.1
79.63110	0.1
79.95732	3.4
83.01366	0.3
84.77258	0.1
85.02950	6.8
89.00284	0.1
96.96009	100.0
97.93129	0.4
97.95914	0.3
108.19653	0.1
111.00879	0.7
113.92620	1.8
114.93369	0.2
115.00349	0.1
121.02966	0.8
129.01941	4.4
130.02313	0.2
133.01399	0.2
135.02977	0.2
138.03220	0.2
139.03954	0.1
147.02969	0.6
153.05548	0.8
173.00938	1.4
179.03621	0.1
182.02242	0.3
191.01949	0.9
196.03770	0.1
197.04539	3.1
198.04846	0.1
208.93907	0.1
209.03032	0.4
223.04335	0.1
237.07738	0.2
249.26889	0.1
261.13531	0.3
265.07156	0.6
276.99527	0.1
327.07187	1.0
371.06146	1.6
389.07321	0.9
406.99277	0.5
499.32962	0.2
569.11273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01370	6.3
59.01959	0.6
59.51015	0.7
61.98820	2.2
67.48895	0.6
70.28201	0.7
71.01379	1.3
75.00873	76.4
78.95888	0.7
79.38975	0.7
80.12796	0.7
82.00569	0.7
85.02958	3.2
88.98794	1.2
89.02465	0.7
91.02540	0.6
96.96020	1.6
98.19851	1.3
101.02460	2.1
103.00376	100.0
104.00699	1.4
107.04461	0.8
113.02452	0.8
116.92870	2.2
126.90484	0.9
139.94138	0.7
145.02977	0.9
171.10243	1.2
209.11812	4.0
253.09264	3.3
262.05978	0.7
289.18094	1.4
307.19193	8.2
325.20322	2.9
474.21191	1.2
543.28137	4.5
561.29498	1.5
643.05859	0.7
665.37903	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25611	0.5
57.03450	1.1
59.01372	4.9
61.98829	1.9
62.59272	0.5
69.31857	5.0
71.01386	2.1
75.00874	79.1
76.01215	0.9
79.95711	0.8
83.01359	0.8
85.02950	2.8
88.98811	1.0
89.02443	1.5
96.96021	1.7
98.19880	1.1
101.02441	1.4
103.00374	100.0
104.00756	0.8
106.73710	0.7
113.02464	0.7
116.92880	3.1
116.97275	1.7
126.90497	0.9
129.01924	0.6
152.14435	0.7
153.09238	0.8
171.10248	1.2
191.01956	1.1
209.11841	6.3
253.09285	2.8
281.43250	0.9
289.18134	1.9
299.27921	0.8
307.19159	10.0
308.19507	1.3
325.20129	4.6
474.21268	1.5
487.54068	0.7
521.33600	1.1
543.28271	5.2
544.28351	0.7
554.91125	0.7
561.29242	2.0
665.37482	1.8
693.47034	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	663.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85211	0.1
59.01373	0.4
61.98827	2.0
63.33405	0.2
65.96903	0.1
69.10390	0.2
71.01376	0.3
71.06563	0.2
71.06905	0.2
73.02943	0.5
85.02954	0.6
88.98805	0.4
90.37733	0.1
99.92583	10.7
100.92593	0.5
114.93468	0.4
116.92858	100.0
117.01938	1.3
117.92870	5.0
191.01909	0.4
209.11922	0.3
331.31638	0.2
415.14529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95101	0.3
55.01860	0.3
57.03445	0.6
58.00575	1.1
59.01378	29.3
63.90867	0.2
64.23080	0.3
65.57221	0.3
71.01381	18.8
71.51734	0.3
72.99312	1.5
73.02921	0.5
83.01376	1.0
85.02945	5.7
87.00865	0.4
89.02441	22.8
90.02811	0.3
95.01394	1.4
96.96009	0.9
99.00887	0.5
99.08212	0.4
101.02438	15.2
102.02776	0.5
113.02444	8.3
119.03500	9.4
119.04919	0.4
120.03861	0.3
129.01961	0.8
131.03500	0.7
135.04521	5.6
143.03499	1.0
145.16661	0.3
147.02992	0.4
149.04550	0.4
161.04623	0.6
161.08211	0.7
163.04001	0.4
179.03491	5.9
179.05562	1.2
180.03937	0.4
191.01985	0.4
323.13446	100.0
324.13797	6.6
341.08868	2.5
429.92599	0.3
456.86108	0.4
554.24353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92348	0.1
61.98818	0.1
70.52479	0.3
73.02947	0.5
79.95730	0.1
85.02950	0.3
99.92583	10.4
100.92596	0.6
114.93442	0.3
116.92860	100.0
117.01946	1.0
117.92869	4.8
140.30881	0.1
145.02946	0.1
160.24821	0.1
173.00829	0.1
191.01970	0.1
194.19621	0.1
238.18684	0.1
295.56363	0.1
334.09125	0.1
337.05746	0.2
596.69000	0.1
659.63031	0.1
679.56830	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	663.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87826	0.1
57.03437	0.2
59.01365	0.1
61.98827	0.5
64.81212	0.1
71.01380	0.3
73.02942	0.6
78.95879	0.1
79.95724	0.2
80.46426	0.1
80.91680	0.2
85.02959	0.7
88.98812	0.1
96.96004	0.2
99.00850	0.1
99.92585	10.7
100.92598	0.5
103.00373	0.2
114.93409	0.4
116.92860	100.0
117.01936	1.1
117.92870	4.4
121.02795	0.1
126.90490	0.2
129.02025	0.1
130.72391	0.1
134.89539	0.1
138.03000	0.1
144.32130	0.1
189.52173	0.1
191.01945	0.3
209.03023	0.3
229.70288	0.1
310.21371	0.1
311.21356	0.1
376.21091	0.1
502.16324	0.1
547.30457	0.2
554.98083	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	663.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	0.2
68.36930	0.1
70.82586	0.2
71.35870	0.1
73.02942	0.6
85.02969	0.2
85.95094	0.1
99.00871	0.2
99.92580	10.3
100.92625	0.6
100.93173	0.1
103.00361	0.2
110.42583	0.1
114.93423	0.4
116.92858	100.0
117.01934	1.2
117.92866	5.4
126.90498	0.1
148.89507	0.1
191.01901	0.3
193.56567	0.1
341.53384	0.1
477.44131	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	661.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36531	0.3
55.01867	0.8
56.16895	0.3
57.03448	9.9
59.01110	0.4
59.01381	4.1
68.99841	0.3
70.81972	0.7
71.01380	4.4
72.99306	2.7
74.36278	0.3
75.00884	0.6
80.94175	0.3
83.01408	1.4
84.02148	2.0
85.02947	100.0
86.03289	1.8
89.02454	1.3
101.02424	0.8
103.00364	0.6
105.01958	0.6
111.00892	1.8
116.15368	0.3
117.03464	5.2
119.03590	0.4
119.05019	7.1
120.05340	0.4
123.56036	0.3
125.02494	0.4
129.01945	7.9
145.02950	34.8
146.03343	1.3
147.02991	44.4
148.03342	0.9
155.75015	0.3
163.04007	9.5
164.04285	0.4
173.00896	4.1
187.07687	0.8
191.01967	6.3
209.03145	0.5
218.00020	0.3
231.06673	1.1
241.70525	0.3
293.06665	31.6
294.07037	1.7
323.13480	5.0
324.13782	0.6
337.05621	26.6
338.05923	2.2
338.77817	0.3
610.70905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57670	0.4
55.01871	1.6
57.03447	13.7
59.01375	1.0
59.81189	0.4
66.56727	0.4
66.70679	0.4
69.33997	1.9
69.34425	1.1
69.62461	0.3
71.01390	1.5
83.00938	0.4
83.01357	2.0
84.02177	1.1
85.02947	100.0
86.03289	1.6
96.96024	1.0
98.19861	0.8
101.02420	1.1
106.07018	0.5
111.00878	3.1
119.05028	11.4
129.01944	40.2
130.02246	0.9
135.04556	0.5
145.02899	0.6
147.02997	2.0
163.04002	11.4
164.75665	0.5
173.00908	16.6
173.02406	0.8
187.46312	0.4
191.01981	3.0
223.04347	0.5
293.06616	1.0
325.09470	0.5
335.91187	0.5
337.05634	20.7
338.05991	1.8
353.18689	0.5
510.01868	0.7
529.65649	0.4
646.28900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
56.33589	0.3
56.38163	0.4
57.03451	10.2
59.01382	3.8
63.02501	0.3
68.99822	0.5
69.76233	0.3
71.01380	5.1
72.99307	2.9
75.00904	0.7
83.01387	1.9
84.02162	2.0
85.02951	100.0
86.03283	2.1
89.02413	1.1
98.20275	2.5
101.02439	0.9
103.00366	0.8
105.01948	0.8
111.00880	2.1
113.02441	0.6
117.03457	6.6
119.03564	0.8
119.05034	7.8
120.05331	0.5
120.61329	0.4
125.62818	0.4
129.01947	8.7
145.02956	33.8
146.03308	1.4
146.58606	0.4
147.02994	42.8
148.03368	1.0
163.04013	9.9
173.00919	5.9
187.07700	1.1
191.01982	7.4
203.07147	0.6
209.03050	0.7
231.06630	1.4
293.06665	32.5
294.07071	2.1
323.13461	5.7
324.13971	0.5
337.05640	30.4
338.05966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40830	0.2
56.41649	0.2
59.01381	1.0
61.98826	1.8
71.01388	0.6
73.02937	0.2
76.32752	0.2
78.95906	5.5
79.95740	3.7
85.02959	0.8
89.02423	0.2
96.96014	100.0
96.96918	8.2
97.95940	0.3
98.20274	1.1
100.10284	0.2
106.96832	0.2
116.92868	0.8
126.90529	0.8
153.16293	0.2
161.04674	0.2
171.10329	0.2
191.01967	0.3
213.98164	0.2
219.19261	0.2
223.13362	0.8
247.35727	0.2
251.11969	0.2
289.85001	0.2
292.30923	0.2
378.63846	0.2
397.13599	0.6
405.88513	0.2
415.14621	0.3
621.28107	0.5
659.25385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87778	0.1
59.01371	0.3
61.98824	1.2
69.25034	0.2
69.25431	0.9
71.01380	0.2
78.95901	7.1
79.95735	2.9
85.02950	0.5
89.02512	0.1
94.98100	0.1
95.97594	0.1
96.96012	100.0
96.96916	10.7
97.95951	0.3
113.92618	0.2
116.92808	0.1
117.50949	0.1
119.05046	0.3
126.90521	0.3
132.98305	0.1
135.04503	0.3
146.77643	0.1
147.03030	0.1
147.36560	0.1
154.04990	0.1
191.02011	0.2
202.47603	0.1
209.03110	0.2
209.11813	0.1
255.11526	0.1
293.10742	0.1
305.13144	0.1
307.19171	0.1
363.14523	0.1
432.08438	0.1
434.97311	0.1
455.79855	0.1
581.22736	0.1
615.24554	0.2
633.79572	0.1
659.27740	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	658.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29573	0.8
55.01879	1.9
57.03449	11.9
58.02965	1.8
59.01374	3.6
71.01382	2.6
71.51174	1.0
71.68324	0.8
72.99297	0.8
74.02483	5.4
82.02985	1.0
83.01376	2.6
84.02168	2.3
85.02953	75.2
86.02494	2.7
86.03297	1.9
88.98801	1.5
96.96002	1.0
97.04091	1.2
99.05675	3.9
101.02427	1.0
103.00372	1.3
105.03440	1.4
105.99390	0.8
107.06194	0.8
109.01175	1.2
109.04061	1.2
110.02415	0.9
111.00875	1.0
111.05689	0.8
125.03557	1.6
127.05075	1.6
128.03539	18.1
129.01945	13.0
132.02159	1.8
133.02982	5.6
135.04530	2.1
135.05569	0.9
137.00702	6.3
139.02219	5.3
143.04626	20.5
145.06149	2.5
146.04594	3.0
147.03000	15.2
149.02371	1.1
160.01648	10.0
161.02364	1.2
163.99367	1.3
165.00166	13.9
166.09801	1.0
167.01718	72.5
167.04611	2.2
167.08212	1.9
168.02020	2.7
169.88286	0.8
172.99535	1.1
173.00899	4.4
173.02196	1.0
179.04630	4.4
180.91464	0.8
185.05687	1.4
191.01970	23.0
192.07779	0.9
192.99641	100.0
193.99957	3.8
197.04486	1.0
209.03020	1.9
210.08850	6.0
211.00705	30.2
212.00957	1.4
242.00523	0.9
251.03870	0.9
254.07796	10.6
262.01706	1.2
265.01825	0.9
268.02740	2.4
272.08887	60.7
273.09113	2.5
279.03317	1.6
317.42081	0.7
322.03607	0.9
337.04886	1.2
340.04980	1.0
341.03375	3.0
363.13757	0.8
367.01138	2.7
379.05927	2.9
385.02344	22.3
386.02817	1.9
418.29846	0.8
425.86874	1.0
435.31927	0.9
440.11453	3.8
448.08191	2.2
466.09225	42.9
467.09515	4.0
484.10309	1.4
544.90930	0.9
596.11639	1.2
640.10638	2.0
641.11017	1.1
658.11786	11.6
659.12256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61230	0.3
53.79707	0.4
57.97607	0.4
59.01373	1.6
61.98832	4.9
71.01403	0.6
71.06692	0.5
78.95926	0.4
79.95751	3.4
80.05066	2.0
80.96526	1.3
85.02972	0.9
88.98747	0.7
94.06631	1.1
96.96027	0.6
106.06628	9.7
108.04558	11.3
108.08215	0.8
116.92863	1.6
118.06594	0.4
121.05330	1.1
122.06071	0.9
124.07674	6.4
126.90536	0.5
132.04530	0.5
132.08206	3.9
134.06122	4.7
134.09769	1.1
134.89520	0.7
136.07678	21.3
137.07924	0.5
144.04536	0.6
146.06142	0.7
150.05579	2.7
152.07187	1.1
160.07684	2.6
166.08788	0.7
178.05119	2.9
183.33813	0.4
195.09239	0.6
196.09993	0.8
206.90208	0.4
209.10815	0.9
211.12442	2.3
213.14075	0.6
214.12367	0.9
223.08727	2.0
224.09468	1.2
225.00612	0.4
225.10356	3.3
227.08321	0.7
229.11252	0.4
229.13280	0.4
236.09497	0.7
237.10246	3.2
238.11107	36.1
239.11629	3.6
241.09825	2.0
242.10570	1.3
251.11951	2.9
252.12592	1.5
253.13448	63.3
254.13783	4.2
255.11429	3.1
256.11926	0.5
257.12946	53.4
258.13223	3.4
279.11349	2.1
283.14453	0.6
285.12354	1.3
297.12564	0.8
299.10486	0.6
299.13974	1.9
301.12085	1.1
323.10513	0.7
327.13434	0.5
364.16492	0.8
390.18375	0.9
392.19614	2.5
400.16495	0.6
416.19687	1.3
418.21613	0.9
436.18735	22.6
437.19312	2.4
462.20450	2.4
471.15189	0.6
495.24283	0.6
509.21542	0.6
537.25134	14.6
538.25348	1.7
563.23621	0.5
569.27600	1.2
581.24066	25.2
582.24365	3.7
613.26630	100.0
614.26971	15.5
657.28345	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	656.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04624	0.2
56.29256	0.2
56.72694	0.2
57.03423	0.3
57.50995	0.2
58.50244	0.2
59.01378	0.6
59.20890	0.2
61.98827	100.0
63.59802	0.2
66.18163	0.2
71.01407	0.3
71.52095	0.3
71.52473	0.3
75.96522	0.3
77.39936	0.3
78.95928	0.3
79.95744	0.7
80.96500	0.2
85.02943	1.2
96.96019	0.5
99.92585	0.3
101.02397	0.3
116.92886	0.9
126.90478	0.4
176.43227	0.2
177.13869	0.2
191.01933	0.4
209.11827	0.6
210.12186	0.3
225.11646	0.3
250.19778	0.2
309.06110	0.3
521.33844	0.3
523.69318	0.3
613.12036	0.3
613.25659	0.2
656.29590	0.3
657.29022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76618	0.3
57.03447	0.4
59.01383	1.9
60.99307	15.1
61.98832	2.3
67.48258	0.3
69.35997	1.3
69.36427	1.1
71.01376	0.9
71.54496	0.3
78.95908	0.6
83.01385	0.4
85.02958	2.0
88.00410	0.5
88.98805	100.0
89.02432	2.2
89.99154	1.0
96.96007	1.3
99.92566	0.5
111.00854	0.5
113.02455	0.5
116.92867	4.0
119.05056	0.4
126.90537	0.7
129.01927	0.6
135.04518	0.5
171.00616	0.5
191.01968	0.5
197.04536	0.7
209.03017	0.4
253.09389	0.5
327.21820	0.6
491.16605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03450	0.9
58.00599	1.6
59.01379	35.1
60.01718	0.3
61.98829	1.3
67.01891	0.3
67.82219	0.3
68.99821	0.4
69.03443	2.3
69.98792	0.2
70.77837	0.7
71.01381	34.0
72.01711	0.5
72.99313	2.8
73.02943	5.2
75.00877	0.9
81.03435	1.4
83.01390	4.3
85.02943	6.8
85.37536	0.3
86.00103	0.3
87.00879	8.0
87.01383	0.6
89.02444	33.0
90.02785	0.5
91.04008	0.5
93.03424	0.5
95.01385	2.2
95.05055	0.3
97.02943	4.9
99.00875	2.3
99.04504	0.5
101.02440	27.6
109.02952	0.7
111.00877	0.7
111.04527	1.1
113.02445	13.9
114.02819	0.3
115.04008	0.6
119.03493	10.5
121.02968	0.9
123.04499	0.5
124.01713	0.4
125.02449	12.4
129.01930	0.4
131.03505	1.0
133.05075	1.1
137.02426	0.4
139.04001	1.0
141.01981	0.7
143.03488	5.7
144.57564	0.3
149.02446	0.3
149.04553	0.9
161.04543	6.6
167.03508	0.7
169.05069	0.6
179.05606	6.7
180.05966	0.4
185.04558	0.9
192.18431	0.3
199.06126	0.6
217.07126	1.0
219.05171	0.4
221.06693	2.2
235.08214	14.6
236.08592	0.5
245.06680	0.6
253.09280	3.1
255.23274	100.0
256.23618	6.1
259.08200	0.3
263.07687	1.4
269.24890	0.7
277.09256	1.0
287.07742	4.0
305.08765	4.5
323.09857	1.8
338.80185	0.3
361.11472	0.7
379.12494	1.0
394.55850	0.3
397.13477	96.9
398.13794	7.3
410.38275	0.3
415.14551	35.0
416.14832	2.7
542.01520	0.2
645.52966	0.3
653.26563	0.3
653.37469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.3
59.01375	7.8
71.01375	6.3
71.50375	1.8
75.00856	2.7
83.01369	2.3
85.02952	100.0
87.00873	1.8
94.51052	1.5
96.96015	1.7
111.00874	3.7
119.05063	2.5
129.01939	8.7
133.49625	1.6
135.02965	5.4
147.02998	15.0
163.03992	3.4
168.27069	1.5
173.00826	2.6
191.00253	3.5
191.01971	58.0
192.02243	2.8
196.31743	1.7
209.03018	42.3
210.03352	2.0
289.15970	1.5
318.24802	1.7
328.93430	1.6
348.71808	1.6
355.06705	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	653.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01390	2.8
60.99307	15.1
61.98829	6.1
71.01398	1.0
71.43433	0.7
73.02943	0.6
85.02936	3.8
87.00881	0.6
88.00389	0.6
88.98805	100.0
89.02434	2.2
89.99141	1.2
96.96020	2.3
99.92580	1.3
101.02470	0.4
109.70344	0.4
115.92078	0.5
116.92854	6.2
117.92857	0.5
123.04494	0.4
126.90473	0.8
129.01956	0.6
135.04491	0.7
177.15814	0.5
191.02071	0.9
200.92372	0.5
209.03030	0.6
209.11913	0.4
226.96652	0.5
253.09151	0.5
324.28256	0.5
327.21603	0.7
351.48138	0.5
355.94467	0.4
490.28885	0.5
525.04773	0.5
652.95782	0.6
653.34363	0.6
675.66833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69290	0.2
56.71475	0.1
59.01367	0.6
60.99305	16.0
61.98828	0.7
69.26260	1.3
71.01383	0.2
75.00906	0.1
83.01403	0.1
84.57848	0.1
85.02948	0.6
87.00878	0.3
88.00415	0.6
88.98804	100.0
89.02431	1.5
89.99130	0.8
96.96021	0.3
98.20689	0.3
101.02481	0.2
116.92869	0.6
126.90540	0.2
132.31886	0.1
209.11890	0.4
241.87212	0.2
264.93909	0.2
282.15936	0.1
307.19009	0.3
325.20145	0.2
543.28235	0.3
555.54565	0.1
607.36786	0.2
613.61664	0.1
672.97229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
60.99307	16.0
61.98825	1.1
62.93759	0.2
70.66048	0.3
71.01392	0.4
83.86466	0.2
85.02950	0.8
87.00885	0.3
88.00397	0.7
88.98805	100.0
89.02438	2.6
89.99130	1.0
96.96023	0.4
113.02419	0.2
116.92842	0.5
126.90545	0.4
158.88039	0.2
171.10335	0.2
191.02034	0.2
209.02954	0.3
209.11766	0.3
253.09422	0.2
268.03751	1.3
281.80423	0.2
283.06088	3.0
284.06345	0.2
304.06509	0.2
307.19193	0.2
312.65524	0.2
510.67441	0.2
543.28094	0.3
615.20227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68705	0.9
54.19295	1.0
55.01870	3.5
57.03447	10.1
57.74921	1.1
57.78184	1.0
59.01382	7.2
61.34249	0.9
68.99810	1.2
71.01376	5.8
72.99323	6.0
75.00865	3.9
83.01386	13.3
84.02176	2.6
85.02953	100.0
86.03296	2.1
87.00847	1.1
96.96037	1.5
98.20279	6.2
99.00861	2.6
101.02384	1.2
103.00375	2.1
105.01938	66.9
106.02321	1.0
111.00899	12.2
112.01107	0.9
129.01961	5.3
133.01419	1.9
133.02957	5.3
135.04517	8.9
143.03516	7.5
143.91251	1.2
147.02962	4.7
161.02444	30.6
162.02759	1.8
173.00879	9.7
179.03456	7.9
191.01973	83.4
192.02335	2.3
205.03580	2.6
223.04579	87.7
224.04906	2.4
267.05106	25.9
268.05365	1.9
318.28113	1.1
336.79779	1.2
353.05234	7.8
385.07645	9.8
448.39453	1.2
509.26038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84426	0.8
54.36535	0.8
59.01373	3.1
60.99283	1.3
61.98825	5.5
71.01393	1.5
71.51845	1.0
75.00871	73.5
76.01202	0.9
85.02950	3.8
88.98803	7.4
89.02438	1.1
96.95975	1.2
103.00371	100.0
104.00696	1.8
109.52368	0.8
116.92844	5.9
129.33379	0.8
191.02010	1.1
217.14473	1.3
231.73967	0.8
241.40553	0.8
253.09248	2.5
291.19562	4.8
309.20743	7.2
649.24872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98707	0.9
59.01365	3.7
60.99295	2.7
61.98830	4.6
64.49695	0.8
69.51842	1.7
69.52258	3.3
71.01395	0.8
71.63199	0.8
75.00871	78.4
78.95910	1.1
82.70305	0.7
85.02953	2.5
88.98806	15.8
96.95979	1.2
98.20133	2.6
101.02467	0.7
103.00375	100.0
104.00680	1.1
113.39294	0.8
115.92092	1.1
116.92862	4.4
126.90464	0.9
217.14308	0.8
253.09282	3.0
266.33163	1.0
291.19632	6.7
309.20703	9.5
614.65643	0.9
649.23615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14882	5.0
55.23014	5.0
57.03436	10.5
59.01376	61.5
61.98541	6.6
61.98835	90.7
64.31313	5.8
64.31657	5.5
69.39063	13.3
69.39473	28.7
70.55147	4.3
71.01377	54.0
72.02158	6.3
72.99316	10.9
73.02948	10.6
83.01368	9.9
83.05006	13.0
84.02163	11.9
85.02944	36.2
86.60811	5.5
87.00879	7.2
88.98800	20.4
89.02432	23.2
91.22336	4.7
93.03448	5.2
95.05008	11.2
96.96013	47.9
97.02935	6.7
97.06590	35.5
99.00888	21.7
99.92580	15.2
101.02451	34.1
107.05032	12.7
109.06562	6.3
111.00864	10.9
113.02467	16.0
116.92867	65.6
119.03522	6.3
119.05006	9.0
123.08123	12.0
125.02428	6.8
125.06087	90.4
125.09666	14.6
126.90552	29.6
127.07642	10.1
127.11277	6.2
135.08133	7.5
139.07643	34.8
141.09247	25.4
143.03506	6.2
147.02950	5.8
151.07605	17.5
151.11455	5.2
153.09193	10.1
161.04565	8.8
163.04010	7.5
163.11267	13.3
169.08693	94.0
171.10263	52.4
181.12370	6.5
185.11823	9.8
191.01991	8.5
192.37587	5.2
197.11810	17.2
199.09772	12.4
199.13425	12.7
201.11305	86.5
207.10234	26.7
209.02956	8.0
209.11835	90.5
210.12230	7.7
213.11139	9.2
225.11263	55.6
227.12944	11.9
243.12254	13.4
253.09286	57.0
265.61664	5.5
277.18036	13.4
287.16510	13.2
305.17587	100.0
305.22894	5.7
306.17889	8.4
323.18475	12.3
341.23410	8.0
376.57327	5.4
461.19910	7.7
479.21219	12.9
490.20325	15.2
605.32349	7.3
649.28528	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	649.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10616	1.6
51.15257	1.5
57.03434	3.4
59.01112	2.1
59.01379	26.1
60.99292	1.6
61.98823	8.8
68.99789	2.1
69.03446	2.1
69.28930	13.7
71.01008	2.3
71.01378	28.5
72.02163	7.0
72.58946	1.5
72.99310	4.1
73.02942	6.8
77.72148	1.6
80.02660	1.9
81.03449	2.6
83.01373	2.2
83.05013	8.8
84.02169	4.7
85.02945	17.6
87.00867	3.6
88.98806	7.9
89.02448	12.7
95.01379	3.5
95.05032	10.7
96.96002	10.4
97.02949	5.8
97.06587	26.2
98.03732	1.5
99.00886	20.6
99.04497	2.3
99.92567	2.4
100.01701	2.0
101.02433	18.9
107.05037	13.6
108.02128	1.8
108.06232	1.4
109.02949	9.7
109.06570	4.3
110.03733	2.8
111.00866	5.3
111.08148	4.5
113.02415	8.8
113.81889	1.5
114.93415	2.5
116.92854	12.1
119.03493	4.3
121.02937	2.5
121.06580	2.6
123.04524	3.3
123.08153	5.9
125.02435	4.6
125.06084	67.0
125.09713	15.5
126.90495	4.7
127.11269	5.6
129.01949	2.9
135.04523	2.9
135.08139	5.3
137.09650	2.2
139.07635	21.6
141.09229	21.0
143.03487	2.1
143.08455	1.6
151.07649	10.0
151.11307	2.7
153.09215	10.1
155.10741	3.4
161.04536	6.8
163.07626	1.7
163.11290	9.0
165.09181	2.5
165.12817	4.8
169.08696	85.0
170.09131	2.9
171.10260	45.3
176.08307	2.3
178.10002	2.6
179.05627	3.7
179.10532	1.5
181.12361	8.0
185.11769	12.4
191.01996	3.4
191.10748	4.7
197.08151	1.5
197.11826	18.9
198.11963	1.7
199.09694	6.3
199.13397	9.9
201.11325	76.5
202.11563	3.3
207.10234	23.5
209.11815	99.7
210.12102	5.3
213.11302	5.3
214.11961	1.7
217.12119	1.8
225.11307	43.1
226.11720	2.3
227.12865	5.8
236.10522	4.0
237.11307	2.1
243.12260	13.1
243.17709	1.8
253.09264	41.2
254.09555	1.8
261.18594	5.5
277.18030	5.6
279.19568	5.8
287.16510	14.6
295.19052	4.3
305.17581	100.0
306.17969	6.7
307.19034	1.8
323.18549	12.7
341.23294	11.1
397.69968	1.6
459.02692	1.5
461.19998	7.5
479.21375	10.5
490.20636	15.9
491.21191	2.2
541.26697	3.1
542.27100	2.2
559.27667	2.3
560.28571	3.7
587.17273	5.1
649.28766	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	649.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
59.01370	0.8
60.99305	15.5
61.98833	1.1
71.01384	0.3
71.52576	0.2
73.02927	0.2
75.00877	0.8
85.02944	0.8
87.00895	0.3
88.00397	0.5
88.98804	100.0
89.02440	1.3
89.99139	0.7
96.18298	0.2
96.96020	0.7
97.02991	0.2
97.06603	0.2
99.92616	0.2
101.02464	0.2
103.00359	0.9
109.06559	0.2
116.92867	1.2
125.09724	1.8
125.41882	0.2
126.90527	0.9
127.65041	0.2
169.08745	0.2
171.10307	0.3
187.09753	1.2
191.02045	0.4
207.10219	0.5
209.11732	0.4
225.11162	0.2
253.09290	0.4
305.17682	0.5
319.22589	0.3
413.46429	0.3
423.18488	0.5
541.26416	0.5
542.26953	0.2
549.57178	0.2
631.30084	0.4
649.00500	0.4
649.29974	0.9
650.30121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01396	1.6
60.99305	14.4
61.98824	0.7
69.15957	3.1
71.01377	0.8
75.00871	0.6
85.02949	1.4
87.00890	0.8
88.00356	0.4
88.98807	100.0
89.02445	2.1
89.99168	0.8
96.96023	1.0
97.02945	0.3
99.92569	0.4
101.02435	1.1
106.98059	0.3
113.02457	0.7
113.27027	0.4
115.92077	0.5
116.92857	4.6
143.03497	0.4
165.12820	0.5
171.10242	0.7
191.01900	0.4
209.11832	0.6
238.11182	0.6
238.52878	0.4
247.20715	0.5
253.09328	2.6
257.12952	0.8
291.19672	6.6
291.22687	0.6
292.20178	0.6
309.20679	8.5
310.21082	0.7
329.66559	0.4
387.18585	0.3
476.80774	0.4
487.34229	1.2
613.26941	1.3
649.28998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98823	0.2
70.92614	0.1
70.92942	0.3
71.01364	0.1
71.45831	0.1
73.02943	0.8
78.20966	0.1
80.96535	0.2
85.02957	0.3
99.92583	10.9
100.92584	0.4
114.93413	0.3
116.92861	100.0
117.01938	1.3
117.92878	4.5
117.93578	0.1
157.03140	0.1
191.01990	0.2
209.11780	0.1
253.09410	0.2
351.21710	0.3
366.09351	0.1
647.22900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53947	0.6
54.03033	0.7
55.09671	0.6
55.29519	0.7
55.95610	0.6
59.18858	0.6
61.98827	100.0
64.71607	0.8
70.98586	1.3
97.89516	0.8
103.78671	0.7
105.78838	0.6
156.83504	0.7
216.38622	0.7
218.80345	0.7
443.44971	0.8
448.80945	0.7
556.99408	0.9
572.82776	0.8
620.50409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97559	0.1
57.03447	0.2
59.01382	0.3
61.98827	0.4
63.74052	0.1
66.26955	0.2
67.84729	0.1
69.50629	0.3
69.51033	0.6
73.02948	0.6
75.00910	0.2
75.10145	0.1
85.02952	1.4
89.02556	0.1
96.95990	0.1
99.92587	10.5
100.92587	0.6
111.00880	0.2
114.93426	0.4
116.92863	100.0
117.01945	1.3
117.92873	4.5
133.02997	0.2
177.02002	0.2
185.98129	0.1
191.02043	0.7
209.03107	0.3
209.11815	0.8
210.37961	0.1
305.17517	0.9
323.18631	0.4
550.40302	0.1
557.84723	0.2
647.38538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	18.1
59.01375	2.9
61.98805	1.4
70.99139	2.9
71.01391	1.5
72.99265	1.4
81.87061	1.2
83.01385	5.9
84.02162	1.6
85.02949	100.0
85.47464	1.3
96.96026	3.5
107.05029	1.8
109.02937	2.7
111.00877	1.7
117.03446	1.8
121.02959	2.1
128.04955	1.8
129.01938	64.4
130.02286	2.4
133.02989	9.0
135.04515	37.8
144.04526	5.0
146.06085	2.8
147.01842	2.9
147.02991	48.1
161.02434	35.6
173.00909	50.1
179.03499	26.6
190.05040	2.9
191.01956	12.3
195.57834	1.4
197.04704	1.7
201.05579	2.2
209.04549	1.8
216.02740	1.3
219.06566	2.7
247.06068	3.6
291.05148	2.7
335.04044	12.4
353.05121	83.0
354.05368	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	645.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74848	0.2
53.92030	0.2
59.01381	0.3
61.98833	8.0
62.84728	0.2
69.87533	1.0
71.01388	0.2
73.02950	0.8
79.95752	0.5
80.96519	1.6
85.02961	0.5
94.98063	0.3
96.96013	0.9
98.19981	0.3
98.95610	0.3
99.92586	10.9
100.92614	0.4
101.60692	0.2
114.93402	0.4
115.92065	0.5
116.92861	100.0
116.97259	0.6
117.01927	1.3
117.92871	4.6
118.84557	0.2
141.18390	0.2
144.68114	0.2
191.01970	0.2
225.00778	0.4
230.10913	0.2
279.84048	0.2
348.71100	0.2
355.38931	0.2
391.33929	0.2
481.50900	0.2
534.27393	0.2
644.26904	0.2
645.21838	2.4
646.22144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25932	0.1
54.35575	0.1
59.01379	0.3
61.98830	100.0
62.98528	0.1
63.99246	0.1
71.01372	0.2
71.44049	0.2
78.95914	0.3
79.95738	0.2
80.96516	0.7
85.02971	0.5
94.98070	0.2
95.20512	0.1
96.96011	3.1
96.96994	0.3
99.92595	0.3
103.87423	0.1
115.92098	0.4
116.92857	1.0
197.11867	0.5
198.12108	0.2
209.11893	0.4
211.13356	0.1
225.00839	0.2
287.15585	0.1
464.50565	0.1
608.24591	0.2
609.20392	0.1
616.72754	0.1
644.22046	0.9
644.32300	0.2
645.22064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98831	100.0
62.98521	0.2
70.52065	0.1
70.52441	0.4
71.01386	0.3
78.95921	0.6
79.95750	0.6
80.96520	1.2
85.02973	0.5
94.98122	0.2
96.96012	1.7
96.96970	0.2
108.35824	0.1
115.92082	0.3
116.92875	0.5
133.36409	0.1
154.13986	0.1
164.98680	0.2
189.73653	0.1
191.01947	0.1
197.11867	0.3
209.03145	0.1
209.11891	0.2
225.00716	0.4
309.20413	0.2
416.55930	0.2
497.16693	0.1
532.26917	0.4
534.27924	0.2
609.26239	0.4
644.22882	0.2
645.23138	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	643.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55531	0.2
59.01374	0.5
61.98830	6.2
70.79050	0.3
70.79361	0.2
71.01368	0.3
75.10033	0.2
78.95908	7.4
79.95741	3.7
80.96503	1.0
85.02959	0.6
94.98080	0.3
96.96015	100.0
96.96922	10.3
97.95953	0.4
113.92633	0.6
114.93423	0.3
116.92822	0.4
126.90527	0.4
139.04008	0.6
164.98695	0.3
209.03053	0.2
209.11688	0.2
225.00774	0.3
288.94254	0.2
309.20691	0.2
323.92706	0.2
367.82889	0.2
643.20990	1.2
643.31439	0.3
644.31873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
59.73781	0.2
61.98832	6.3
67.95399	0.2
71.52980	0.2
78.95905	7.0
79.95739	3.3
80.96522	1.0
85.02963	0.7
90.74852	0.1
94.98106	0.3
96.96014	100.0
96.96922	10.5
97.95950	0.4
101.62933	0.1
113.92632	0.6
116.92805	0.2
126.90501	0.3
129.65073	0.1
139.04001	0.4
157.23062	0.1
191.02043	0.2
204.94966	0.1
209.02928	0.2
209.11819	0.3
225.00694	0.3
291.19409	0.2
371.36987	0.2
607.23926	0.3
643.21643	1.6
644.32892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
61.98832	100.0
63.13573	0.7
71.01379	4.5
73.02906	0.7
76.02879	0.8
78.95872	0.8
78.98591	3.4
79.95752	6.7
80.96519	32.1
85.02959	6.3
87.00850	1.4
89.30362	0.9
94.98083	8.4
96.96013	7.6
97.02933	1.2
101.02439	1.3
106.98087	0.9
114.93394	2.3
116.92844	1.7
122.97564	2.5
125.02456	2.1
134.97620	2.2
135.04691	0.8
136.99141	1.2
148.99063	2.4
152.98599	3.1
164.98625	5.4
182.99744	1.1
191.01945	2.2
206.99631	2.2
209.02956	0.9
209.11784	2.3
225.00708	8.6
282.79987	0.8
299.04425	0.8
353.83362	0.8
366.23532	0.9
525.99054	1.0
607.24304	3.2
643.21930	47.5
644.22528	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	642.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98830	100.0
64.63993	0.1
69.60427	0.7
79.06653	0.1
80.20008	0.1
80.96532	0.6
85.02961	0.3
96.96017	0.2
98.20618	0.2
107.25116	0.1
112.86156	0.1
112.94982	0.1
115.36241	0.1
124.74203	0.1
137.77495	0.1
209.88324	0.1
221.37651	0.1
253.09200	0.2
289.18121	0.2
290.18518	0.3
308.19611	0.3
554.79279	0.1
622.03516	0.1
643.22174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13645	0.1
54.51782	0.1
61.98829	100.0
62.98533	0.2
68.99567	0.1
69.15141	0.6
70.20661	0.1
76.99091	0.1
79.84023	0.1
80.96527	0.2
81.98071	0.1
85.02970	0.2
94.98090	0.1
96.96034	0.2
98.20390	0.4
114.93416	0.3
290.18433	0.1
306.74631	0.1
308.19415	0.2
331.90182	0.1
415.02438	0.1
517.68762	0.1
599.88440	0.1
643.21692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98831	100.0
62.98560	0.2
70.13966	0.2
71.01382	0.4
71.52320	0.3
78.95898	1.8
80.96516	0.2
85.02981	0.8
85.87689	0.2
92.41467	0.2
96.96015	2.6
96.96950	0.5
99.36049	0.2
101.66329	0.2
113.51108	0.2
116.92896	0.4
133.43349	0.2
142.87877	0.2
148.93184	0.2
152.99551	0.3
167.27963	0.2
168.04295	0.2
185.11725	0.2
197.11861	0.3
209.11870	0.4
212.19977	0.2
245.19087	0.4
289.18130	0.6
307.19186	0.3
310.85800	0.2
319.82523	0.2
391.34448	0.2
532.26819	2.1
537.28241	0.2
546.28503	0.3
568.24707	1.1
582.26221	1.3
643.22217	0.8
655.07269	0.3
655.18787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98828	100.0
62.98532	0.2
70.60435	0.4
71.01379	0.3
77.60706	0.2
78.95930	0.3
79.95747	0.3
80.96499	1.2
85.02961	0.4
87.83510	0.2
94.98057	0.2
96.96014	0.4
97.43695	0.2
99.92590	0.2
112.40096	0.1
113.45158	0.1
115.92068	0.2
116.92855	0.8
122.97608	0.2
126.90496	0.3
164.98737	0.3
190.65710	0.1
209.11957	0.2
225.00764	0.4
233.97444	0.1
250.13954	0.1
341.23334	0.2
640.27777	0.4
641.28436	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	642.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36637	0.1
57.03448	0.1
59.01369	0.2
61.98830	100.0
62.98536	0.2
63.11252	0.1
69.59923	0.5
77.89445	0.1
85.02973	0.4
88.98846	0.2
94.06699	0.1
96.96034	0.1
102.58811	0.1
116.92884	0.1
119.05013	0.2
124.99776	0.1
151.00398	0.4
191.02016	0.1
255.13568	0.1
271.06110	0.3
271.15634	0.4
457.15576	0.1
579.16962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.1
59.50634	0.1
61.98830	100.0
62.98529	0.2
69.37650	0.7
71.01379	0.2
79.95741	0.6
80.96512	1.1
85.02953	0.4
94.98117	0.3
96.96045	0.2
98.19903	0.2
100.95617	0.1
116.92885	0.3
117.92931	0.1
126.90507	0.7
148.99199	0.1
152.98686	0.1
164.98650	0.2
191.01990	0.1
210.47069	0.1
225.00882	0.3
305.17657	0.1
437.50504	0.1
439.67557	0.1
532.77917	0.1
641.28687	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	640.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.98830	100.0
62.98547	0.3
69.45126	1.0
70.27578	0.1
71.01398	0.5
73.89624	0.2
75.50780	0.1
78.95914	0.4
79.95757	0.5
80.96526	1.2
83.01397	0.2
85.02959	1.0
87.00850	0.2
88.98847	0.2
94.98102	0.3
96.96022	0.4
97.15869	0.1
98.20666	0.3
99.92598	0.2
101.02454	0.3
113.02431	0.2
116.92842	1.4
117.92859	0.3
125.02547	0.2
126.90517	1.7
191.01938	0.4
209.03098	0.3
225.00752	0.6
241.14548	0.2
242.14825	0.4
307.59363	0.2
341.23395	0.2
397.13513	0.2
398.13965	0.2
423.71317	0.2
526.91150	0.2
553.01117	0.2
566.30621	0.2
597.20197	0.2
606.52612	0.2
641.28271	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	640.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
59.08623	0.1
61.98830	100.0
62.98511	0.1
69.36835	0.3
69.37260	0.4
71.01412	0.1
79.95729	0.2
80.96537	0.4
85.02973	0.1
87.37640	0.1
94.98084	0.2
96.96017	0.1
98.20201	0.3
98.95663	0.1
116.92875	0.3
134.31122	0.1
149.21439	0.1
161.77483	0.1
164.98657	0.1
177.95813	0.1
195.82443	0.1
201.11386	0.1
224.27808	0.1
225.00745	0.2
243.48569	0.1
305.17725	0.2
356.84311	0.1
386.01135	0.1
641.28540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.10028	0.1
69.95176	0.5
80.96522	0.2
84.06618	0.1
85.02956	0.5
91.48553	0.1
108.87916	0.2
116.92869	0.1
128.94240	0.2
141.85223	0.1
146.29074	0.1
199.13420	0.2
220.57202	0.1
223.05360	0.1
291.19711	0.2
306.17764	0.2
309.20694	0.2
331.19016	0.4
449.89517	0.1
554.94983	0.1
590.71881	0.2
609.06964	0.1
629.78778	0.2
641.20734	0.4
667.50043	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.7
59.01372	5.5
71.01379	6.6
71.51439	2.4
72.99303	5.0
73.02945	1.6
75.00865	3.8
78.49569	1.2
80.34000	1.2
83.01364	4.3
84.02153	1.3
85.02950	65.8
86.03277	2.3
87.00853	2.1
87.04174	1.2
94.28587	1.4
96.95972	2.1
101.02433	4.7
105.01937	39.5
111.00890	25.9
112.01224	1.7
117.11419	1.3
119.05023	12.8
129.01942	27.1
133.02942	2.3
135.02972	3.1
135.04515	2.0
143.03352	1.3
145.02925	1.7
147.02975	5.9
153.24942	1.5
161.02428	16.1
161.04543	2.1
163.02962	1.5
163.04025	16.2
173.00856	1.8
175.24030	1.3
185.92151	1.2
191.01978	9.6
205.03532	33.1
206.03770	1.7
209.02963	4.4
215.49588	1.5
221.13849	1.2
223.04578	100.0
224.04871	2.8
243.13838	1.5
267.05103	10.5
278.94730	1.5
280.14481	1.7
323.13425	3.7
327.08575	2.2
337.05548	2.3
339.05099	6.8
369.08212	17.7
370.08670	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	640.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98829	100.0
71.52289	0.2
74.42037	0.2
75.77354	0.2
78.29031	0.2
80.96526	0.5
81.13984	0.2
85.02534	0.2
85.02946	1.0
116.92874	0.2
134.11974	0.2
140.86389	0.2
182.59201	0.2
191.02011	0.4
209.03009	0.3
225.11380	0.2
276.59488	0.2
297.01361	0.2
641.10822	0.2
641.19708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50940	0.3
58.02973	10.6
59.01383	0.6
61.98832	0.4
63.59646	0.3
68.21570	0.3
69.90534	1.2
70.02591	0.2
70.02975	4.6
71.01395	0.4
72.00906	2.7
85.02947	2.1
88.98799	2.3
91.05530	2.9
96.96024	0.9
98.20081	0.5
114.00753	0.3
129.01955	0.4
135.04463	0.4
147.04518	22.0
148.04810	0.9
162.09251	0.6
164.07161	54.2
165.07545	1.6
174.05641	1.4
175.05959	0.3
191.02020	0.6
193.05066	0.3
206.08214	100.0
207.08554	4.9
250.07219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95900	0.1
53.90954	0.1
57.72097	0.1
61.98829	0.5
69.32204	1.2
73.02939	1.6
73.68410	0.2
73.90927	0.1
78.85628	0.1
98.20579	0.4
99.00866	0.2
99.92584	8.3
100.92602	0.2
116.92860	100.0
117.01944	3.4
117.92865	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	636.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.3
71.51742	0.1
73.02943	1.4
74.18736	0.1
78.95878	0.1
99.00902	0.1
99.92580	7.5
100.92630	0.3
114.93452	0.2
116.92857	100.0
117.01936	2.7
117.92867	3.8
146.45850	0.1
280.43686	0.1
572.45026	0.1
633.05713	0.1
641.95135	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86810	0.5
59.01372	2.1
60.99310	15.2
61.98839	3.3
68.54214	0.6
70.10689	0.5
75.89815	0.6
76.03101	0.5
81.70866	0.6
84.36604	0.5
85.02950	1.1
88.00414	0.7
88.98806	100.0
89.02408	2.9
89.99131	0.8
98.20090	2.7
98.20779	0.9
101.60362	0.6
110.52067	0.6
116.92847	2.2
118.95606	0.7
176.80565	0.5
183.68886	0.5
195.30917	0.5
225.03377	0.6
309.20615	0.7
333.97607	0.6
545.30084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
60.99308	16.3
61.98817	0.6
70.94889	0.3
70.95232	0.3
75.00893	0.2
78.95878	0.2
84.95925	0.2
85.02941	0.4
87.00875	0.5
88.00389	1.1
88.98806	100.0
89.02440	3.0
89.99146	0.7
96.96022	0.4
98.20332	0.3
104.06261	0.2
116.92870	0.6
126.90473	0.2
139.77307	0.2
253.09253	0.3
260.74646	0.2
291.19656	0.3
309.20694	0.4
555.66632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01920	0.1
59.01386	0.2
60.99295	0.3
61.98835	1.1
71.51791	0.2
73.02950	1.4
85.02947	0.2
88.98806	1.8
99.92586	7.6
100.92623	0.2
112.55241	0.2
114.93399	0.3
115.92067	0.2
116.92863	100.0
116.97261	0.5
117.01942	2.5
117.92869	3.9
134.19296	0.2
190.87712	0.2
619.71417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
60.99308	15.5
61.98834	4.6
68.46076	0.4
69.32414	0.3
69.65366	1.9
71.01389	0.4
73.93078	0.3
85.02932	2.1
87.00874	0.4
88.00391	0.9
88.98804	100.0
89.02441	3.5
89.99142	0.8
96.96021	0.3
102.59801	0.3
116.92850	1.2
130.89311	0.3
144.04968	0.3
191.01959	0.6
247.17757	0.4
253.09390	0.6
395.65164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33840	0.2
50.81017	0.2
59.01370	0.6
59.97770	0.2
60.99304	15.4
61.98825	1.0
66.41668	0.2
68.87383	0.2
70.14777	0.8
71.01360	0.2
75.00861	0.3
85.02987	0.3
87.00850	0.3
88.00368	1.0
88.98804	100.0
89.02443	4.2
89.99129	0.7
98.20362	0.4
99.92589	0.3
101.79856	0.2
109.82975	0.2
111.40417	0.2
116.92855	0.8
174.58714	0.2
191.02048	0.2
197.11870	0.5
252.23586	0.2
253.09285	0.3
291.19531	0.2
309.20938	0.3
379.01740	0.2
556.24390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10817	0.1
61.98822	0.4
71.51656	0.1
73.02953	1.1
78.95926	0.1
81.47346	0.1
99.00916	0.1
99.92584	8.0
100.92560	0.3
114.93436	0.3
116.92860	100.0
116.97165	0.7
117.01100	0.2
117.01933	3.0
117.92869	4.3
153.01605	0.1
174.75725	0.1
285.90002	0.1
541.22876	0.1
586.14502	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	633.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.0
61.98829	4.1
71.52320	1.9
75.00873	77.5
85.02969	2.4
98.02512	1.3
99.92617	1.3
101.02449	1.5
103.00370	100.0
104.00707	1.4
105.01939	2.0
116.92862	4.8
140.76051	1.3
171.10257	3.1
178.20763	1.1
197.11830	1.4
200.93079	1.2
225.11385	2.7
253.08981	2.6
254.98062	1.3
287.16452	1.7
291.19382	1.3
293.21121	3.3
337.20078	2.4
347.12268	1.6
541.26636	1.5
550.40778	1.4
612.52692	1.4
633.31189	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	633.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03436	1.1
58.00603	0.5
59.01381	9.8
61.98823	2.7
65.84901	0.4
69.03464	0.5
70.53047	1.0
70.53377	0.5
71.01378	8.7
71.05006	0.8
73.02941	1.9
75.00890	0.4
77.42768	0.4
80.02663	0.7
81.03452	1.5
83.01407	0.8
83.05026	4.2
84.02159	1.5
85.02949	3.9
87.00873	1.8
88.98789	0.6
89.02444	5.7
95.01348	1.0
95.05014	1.2
96.35789	0.6
96.96012	3.1
97.02934	0.5
97.06586	1.3
98.19965	0.5
99.00865	0.5
99.04519	1.2
99.08149	1.1
99.92613	0.5
101.02435	7.6
108.02219	0.4
109.02966	0.5
109.06597	1.0
111.08199	0.5
112.05346	0.8
113.02435	4.0
115.07630	1.8
116.92876	0.9
119.03471	1.6
123.04516	0.7
123.08118	0.6
125.06108	0.9
125.09711	3.3
126.90514	1.2
127.07650	5.5
129.01886	0.6
129.93399	0.4
135.08147	1.9
137.02400	0.5
137.09709	0.9
139.07649	1.5
141.09186	0.9
143.03470	0.9
153.09209	9.7
155.10774	2.2
161.04567	2.8
163.11266	4.3
165.12833	1.8
171.10255	15.4
178.10001	3.5
179.05545	0.9
179.10739	0.5
181.12325	0.8
185.11812	8.7
191.01936	0.6
191.10796	1.9
191.14442	1.5
197.11836	11.0
198.12224	0.5
204.59854	0.4
207.10201	1.4
209.11813	64.2
210.12073	3.1
219.13890	0.9
227.12881	0.7
235.08080	1.1
236.10561	1.1
237.11401	0.5
238.12074	2.8
245.19058	3.8
251.16553	0.8
253.09247	26.9
254.09520	0.7
256.13077	0.9
257.12750	0.6
263.20132	1.1
265.18097	0.7
271.17044	0.6
279.19681	1.5
281.21146	0.8
289.18082	15.5
290.18402	1.5
297.20654	1.1
307.19131	100.0
308.19427	7.0
309.20328	0.5
313.62509	0.6
325.20169	42.4
326.20502	3.3
327.21899	0.6
381.48355	0.5
396.42883	0.5
407.19470	0.7
411.20328	1.3
430.18884	0.5
474.20999	7.3
475.21600	0.6
492.22589	0.7
543.28082	33.3
544.28503	3.9
561.29047	8.0
562.29596	0.9
603.24725	0.8
633.23364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.7
69.28371	1.0
69.28791	0.6
73.02941	1.6
78.40678	0.2
94.09608	0.2
95.50559	0.2
99.92583	11.5
100.92593	0.4
104.18523	0.2
114.06075	0.2
116.92863	100.0
117.01952	3.2
117.03456	0.3
117.92870	4.1
145.02968	0.6
148.13103	0.2
633.38220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03433	1.7
58.00599	0.6
59.01373	12.4
61.98829	14.0
67.06055	0.5
69.03458	0.8
71.01378	10.3
71.05006	0.8
71.41616	0.5
71.52621	0.7
72.99310	1.1
73.02940	2.2
80.02653	0.9
80.87370	0.5
81.03445	1.4
83.01373	1.7
83.05022	4.6
84.02147	1.2
84.20297	0.4
85.02949	5.4
87.00867	1.8
88.98785	0.7
89.02441	7.8
95.01386	1.1
95.05011	1.1
96.96010	2.0
97.06590	1.1
99.04539	0.9
99.08141	1.4
101.02436	9.7
109.06589	1.2
111.00843	0.5
111.08123	0.8
113.02457	4.0
114.11505	0.5
115.07646	1.4
116.92846	0.9
119.03481	2.3
121.02966	1.0
123.04542	1.3
123.08050	0.7
125.02416	0.9
125.06075	1.0
125.09724	3.4
126.90514	2.9
127.07642	5.4
129.01904	0.6
135.08134	1.8
137.09691	1.0
139.07660	1.4
141.09206	1.1
143.03502	0.6
147.11736	0.8
152.91890	0.5
153.08087	0.8
153.09219	10.8
155.10754	2.2
161.04582	4.1
163.11307	4.3
163.74828	0.5
165.12834	1.9
171.10248	15.5
172.10628	0.5
178.09976	3.1
179.05627	1.5
179.10742	0.9
181.12325	1.0
185.11803	8.3
191.01918	0.9
191.10768	1.9
191.14378	1.6
197.11823	9.8
198.12215	0.6
207.10312	1.3
209.02899	0.8
209.11810	63.0
210.12166	2.4
219.13937	1.1
227.12747	0.8
235.08171	0.6
235.20404	0.5
236.10567	1.0
237.11356	0.5
238.12079	3.6
239.12460	0.6
239.16560	0.7
245.19054	3.6
251.16478	0.9
253.09254	31.4
253.18088	0.8
254.09306	0.7
256.13220	0.8
263.20154	1.3
265.17871	0.8
271.17194	0.6
279.19656	1.4
281.21115	0.5
289.18060	14.0
290.18399	1.3
297.20688	1.1
307.19135	100.0
308.19495	7.3
309.20822	0.5
325.20169	41.3
326.20569	2.7
407.18909	0.6
411.19974	0.9
474.20874	7.6
492.21686	0.8
543.28070	32.3
544.28430	3.3
561.29279	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	631.2787
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
50.62508	0.3
59.01375	1.2
61.98833	2.1
71.01387	0.5
71.52186	0.5
79.95741	4.7
85.02956	0.7
85.59894	0.3
88.98814	1.1
95.95248	0.7
96.96011	100.0
101.02425	0.5
116.92866	1.1
125.02372	0.3
125.09713	0.8
126.90489	0.7
136.84596	0.3
144.62183	0.3
171.06702	0.4
171.10257	0.6
187.09799	0.4
199.13406	0.6
225.11404	0.3
241.14395	1.1
253.09410	0.4
255.98959	0.3
261.08032	0.9
279.08981	1.0
321.10229	0.6
383.24393	2.3
439.12930	0.5
449.14798	1.1
500.38568	0.4
540.15399	0.3
631.27930	65.1
632.28265	8.9
632.38275	0.6
650.28125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30875	0.8
54.58826	0.8
57.03451	1.5
59.01378	10.7
59.60781	0.7
61.98830	3.3
65.08364	0.8
69.45635	1.8
69.46048	5.1
70.11852	0.7
71.01383	7.9
71.05027	0.7
72.99309	1.0
73.02942	1.7
74.48676	0.7
78.53240	0.9
80.02679	1.7
81.03470	2.0
83.01381	1.0
83.05034	6.4
84.02168	1.0
85.02976	4.0
87.00907	1.2
88.98805	0.9
89.02464	5.4
95.05016	1.9
96.95982	1.5
97.02969	2.0
97.06595	2.2
101.02444	8.3
107.05023	6.2
109.06615	4.0
111.00888	1.7
113.02435	3.5
113.06042	0.9
115.92149	0.8
116.92885	2.6
119.03466	1.4
121.02943	2.5
122.03740	1.0
123.04523	1.2
123.08183	1.4
124.01711	0.9
125.02439	2.8
125.06091	2.5
125.09724	7.1
126.90521	1.1
130.08377	0.9
133.02902	1.0
135.08188	5.7
137.06088	0.9
143.03444	1.0
153.09242	6.9
161.04541	2.7
163.11292	8.7
165.12825	2.7
176.08411	2.6
177.09251	1.2
178.09999	2.4
179.05626	1.2
181.12369	2.7
185.11829	2.3
189.09091	0.8
191.10759	2.9
197.11835	15.5
204.91670	0.9
207.10237	11.4
209.11818	100.0
210.12173	3.4
217.12366	1.1
225.11293	8.6
236.10483	3.4
243.17509	1.9
245.15350	1.4
253.09241	22.4
259.17145	1.2
261.18558	4.7
269.15460	1.2
277.18051	7.8
278.18454	0.9
279.19617	1.5
280.03653	0.8
287.16510	11.5
288.16861	1.3
295.19159	2.9
305.17569	93.1
306.17880	7.2
307.19122	1.4
323.18619	21.6
423.17667	1.1
445.20779	1.0
461.20328	10.8
472.19415	1.4
490.20447	3.4
505.08798	0.8
541.26550	61.7
542.26904	8.2
559.27460	13.4
560.27954	1.0
565.65607	0.8
587.27985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03434	3.2
59.01381	27.5
60.02406	1.0
61.98830	6.5
67.01888	0.9
69.30045	4.4
69.30476	3.1
71.01382	13.2
72.99305	1.4
73.02942	3.2
76.16555	0.8
81.03445	2.2
83.01366	2.7
83.05039	6.0
83.60342	0.9
85.02959	8.7
87.00874	1.9
88.98790	2.3
89.02455	10.1
93.03466	1.0
95.01398	1.9
95.05037	1.4
96.96023	4.8
97.02930	2.6
97.06589	2.0
98.19918	1.6
99.00860	1.6
101.02448	13.3
104.63131	1.0
107.05031	5.1
109.06570	3.1
111.00830	2.3
113.02455	6.0
116.92854	3.1
119.03460	2.8
121.02952	3.0
121.03790	0.9
123.08181	1.2
125.02415	3.3
125.06037	1.9
125.09706	7.7
126.90480	2.0
128.03551	2.3
129.01917	1.2
135.04506	1.4
135.08200	4.8
143.04588	1.6
149.48322	0.9
151.00386	2.3
153.05583	1.2
153.09203	8.7
159.88745	0.9
161.04506	3.3
161.05797	0.9
163.11304	8.0
164.01204	1.1
165.12814	2.2
176.08380	2.8
177.09140	1.4
178.10004	2.3
181.12334	2.0
183.10197	2.1
185.11826	2.5
190.09978	1.1
191.01874	1.9
191.10736	3.3
197.11804	16.4
203.83571	1.0
207.10268	13.8
209.11821	100.0
210.12103	4.9
217.12306	1.7
225.11267	9.3
236.10550	3.0
243.17430	2.4
253.09209	25.8
261.18579	4.5
263.16415	1.2
270.05264	1.2
271.02631	1.0
277.18042	6.6
279.19537	1.7
285.07648	7.8
287.16467	11.6
289.17865	0.9
289.49161	1.0
295.19208	3.3
299.01877	3.0
301.03400	1.4
304.06131	2.1
305.17569	99.4
306.18091	6.1
323.15143	1.5
323.18625	21.5
324.18967	1.8
381.22769	1.0
432.98434	0.9
445.20612	1.3
461.20428	9.4
472.19431	2.0
483.29388	2.1
487.17981	1.9
490.20432	4.2
501.30319	1.3
541.26532	66.2
542.26727	7.8
559.27563	15.7
560.27911	2.4
587.30359	3.9
593.18713	8.2
595.18805	1.5
631.28192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75283	0.1
68.99549	0.2
69.16133	1.6
73.02943	2.3
98.20678	0.3
99.00876	0.4
99.92586	11.8
100.92599	0.5
114.93430	0.2
116.92860	100.0
117.01933	4.3
117.92873	4.4
141.97401	0.2
175.08441	0.2
242.01071	0.2
411.02850	0.2
566.47119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92008	0.1
59.01355	0.1
61.98826	0.4
64.49505	0.1
70.09984	0.3
70.10371	0.3
73.02940	2.1
77.81157	0.2
92.80717	0.2
98.20596	0.2
99.00893	0.6
99.92583	12.0
100.92604	0.7
114.93430	0.3
116.92860	100.0
116.97247	0.5
117.01936	3.7
117.92870	3.9
321.19855	0.2
403.61960	0.2
458.44800	0.2
603.83295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03445	7.0
59.01371	2.6
68.99864	0.5
71.01390	1.6
77.60704	0.4
83.01389	1.7
84.02168	2.2
85.02951	75.3
86.03285	1.2
96.96017	0.7
98.20009	2.0
98.20694	0.8
99.75703	0.4
101.02465	0.4
103.00375	1.2
117.03468	4.7
119.05026	1.9
129.01930	1.8
144.04582	2.0
145.02951	20.1
146.03291	0.9
146.06197	0.5
147.03000	13.9
163.04037	1.4
173.00890	1.2
190.05060	1.2
191.01976	100.0
192.02339	2.2
209.02983	1.0
249.08954	0.5
293.06735	3.0
337.05670	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	630.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33678	0.4
57.03445	0.4
57.43538	0.5
58.02970	4.2
59.01381	2.3
61.98825	7.6
65.28768	0.4
66.03500	0.6
70.00512	1.1
70.00906	1.1
70.02975	0.8
71.01370	1.3
72.00901	0.8
74.02473	11.3
82.02980	1.1
82.20006	0.5
85.02948	1.6
86.02483	4.0
86.99106	1.4
87.05609	2.7
88.04057	0.5
88.98785	0.5
89.02445	0.8
90.00214	1.1
96.96013	1.2
97.04082	1.6
99.05641	9.3
99.92575	0.6
101.02448	0.5
101.07189	1.4
102.05623	0.8
109.04065	1.4
109.07697	0.6
111.05671	0.6
112.04066	1.4
116.01753	0.5
116.92853	0.6
124.04075	0.8
125.03609	1.1
125.15176	0.5
126.90498	0.5
127.05132	1.7
128.03539	26.5
129.99608	0.6
131.04610	1.0
135.04626	0.6
135.05606	2.6
137.07159	1.0
141.06693	2.4
143.04625	38.3
144.04944	0.8
145.06168	1.9
146.04565	3.3
153.06694	2.3
155.08223	0.5
160.00734	8.5
166.09818	1.7
167.04602	2.9
167.08246	1.3
177.03365	3.7
179.04623	7.9
184.10901	0.7
185.05640	1.8
192.07816	0.9
197.05678	1.3
208.10666	0.5
209.11819	1.0
210.08876	6.6
213.03397	0.6
228.09813	0.6
242.07805	1.0
254.07822	8.1
272.08871	14.2
288.06570	6.7
305.17706	1.5
306.07654	100.0
307.07874	3.9
541.27338	0.7
601.30505	0.8
619.44434	0.6
630.28522	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3538
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
50.53066	0.6
55.01868	2.4
57.03435	2.1
58.00579	1.3
59.01381	36.4
61.98819	4.0
63.24847	0.8
71.01383	35.2
72.01721	0.7
72.99303	3.1
73.02952	5.3
75.00870	1.0
78.95869	0.9
80.91692	1.8
82.95410	8.7
83.01376	4.0
85.02953	17.3
87.00876	2.4
88.98827	0.8
88.99384	1.0
89.02444	19.6
95.01373	2.8
96.95982	0.7
99.00869	3.4
99.92595	0.8
101.02442	23.7
111.00882	2.3
113.01735	1.0
113.02454	12.6
116.92888	1.3
119.03500	8.3
119.66817	0.7
126.90498	3.2
128.03537	1.9
129.01927	2.3
131.03506	1.0
131.05963	0.7
134.56744	0.7
143.03535	1.5
143.04581	1.9
149.04497	0.7
159.03023	1.3
161.04572	3.4
179.05605	2.2
197.11932	1.4
210.08687	0.8
254.07681	0.9
272.08771	1.1
294.76443	0.7
305.17703	1.1
319.19250	0.9
337.20313	0.8
364.73737	0.8
467.30109	13.7
468.30148	1.4
531.41205	0.8
629.35449	100.0
630.35760	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	630.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01381	0.9
61.98829	17.5
71.01393	0.7
71.22340	0.6
80.96490	0.4
85.02952	1.1
88.98792	0.4
89.02470	0.4
96.49084	0.3
96.96002	0.7
99.04560	0.5
101.02419	0.8
116.92867	1.0
125.02419	0.5
126.90506	100.0
128.03526	0.3
171.10271	0.3
178.50632	0.3
191.01923	0.5
241.14449	1.7
246.95706	0.3
253.09398	0.8
253.13504	0.4
300.58017	0.3
308.09067	0.3
315.84512	0.3
316.51630	0.3
339.79675	0.3
629.27124	0.6
630.29718	0.4
656.35944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.1
59.21718	1.8
61.98831	15.3
69.50694	5.7
69.51105	5.1
71.01363	10.2
82.34049	1.6
82.95409	5.2
85.02947	10.2
89.02430	3.0
92.05018	1.9
92.08955	1.6
96.96025	4.1
98.19925	4.0
99.92567	2.1
101.02439	4.9
106.06624	22.2
108.08208	2.5
113.02483	4.7
116.92858	4.8
119.03506	2.7
121.13609	1.7
122.06107	7.2
124.07701	3.0
128.03564	3.1
132.08189	5.9
134.06107	5.8
143.04599	3.4
146.78529	1.7
147.69293	2.0
152.07155	4.7
160.07669	5.4
178.05103	2.8
185.11850	1.9
186.12865	9.8
197.11871	3.5
201.07974	4.0
209.02834	2.8
211.12401	5.0
223.08749	4.7
223.12277	2.0
223.53979	1.8
225.10291	4.9
226.07407	10.1
230.11859	10.8
235.08647	1.9
236.09503	7.3
237.10284	7.6
238.11107	38.7
239.08310	3.2
239.11560	2.5
240.09003	4.4
241.09721	2.1
249.10425	4.1
251.11908	32.5
252.12628	4.9
253.09624	3.5
253.13449	68.0
254.10669	3.0
254.13635	2.8
255.08694	3.8
255.11389	71.8
256.11581	3.2
257.12939	13.2
263.11865	2.0
273.12521	3.3
279.11365	2.5
283.14499	9.1
285.12500	4.3
297.12326	5.8
327.13406	4.8
329.15082	4.3
355.12933	5.4
365.18637	2.5
374.18497	2.2
434.17172	6.3
456.14853	2.0
467.29883	2.1
510.23993	6.1
535.23572	13.4
554.23145	7.4
567.25427	2.1
579.22473	59.2
580.22681	7.1
581.52814	2.1
585.27002	2.1
586.25806	13.5
587.24994	2.5
597.23199	6.5
611.25055	100.0
612.25354	15.6
613.65808	2.1
629.26227	26.9
629.35254	15.8
630.26544	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	627.2692
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
55.71508	0.8
59.01364	3.6
61.98827	25.7
69.57519	4.7
71.01372	7.1
78.95898	1.2
78.98597	4.3
79.95730	10.2
80.96516	56.0
81.03477	1.6
83.01352	0.9
85.02950	8.3
87.00878	2.3
88.98792	1.1
94.98083	12.0
96.95980	2.7
97.02956	1.4
98.19919	2.0
99.92571	3.1
101.02428	2.8
106.98059	2.9
107.28033	0.8
116.92859	30.3
117.92843	1.4
122.97557	2.8
125.02423	2.7
126.01532	0.9
126.90514	1.5
134.97552	3.0
147.02989	0.9
148.99126	4.9
149.06064	1.1
152.98622	5.4
152.99648	0.9
164.98648	9.9
191.01926	2.8
206.99658	2.9
215.88275	0.8
225.00740	22.1
284.08804	0.9
299.04416	2.8
317.45480	1.0
328.34995	1.0
431.18839	1.0
443.74789	1.0
473.04083	0.8
474.52829	0.9
481.14771	1.1
563.14856	1.0
621.02765	1.1
627.26831	100.0
628.27155	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	627.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.8
55.39076	1.8
57.03441	18.1
59.01368	2.0
59.64715	2.1
68.65792	1.9
69.46854	5.2
69.47266	10.8
70.57006	1.8
72.99306	6.4
74.02483	2.8
75.26762	2.2
81.34163	2.2
83.01385	21.3
84.02145	2.7
85.02947	66.4
93.03452	5.0
96.95993	1.9
97.02956	2.1
99.94425	1.9
111.00868	5.8
117.03456	6.7
119.05024	64.9
125.02412	2.6
129.01941	74.2
143.05042	2.4
145.02946	51.7
145.74838	2.0
147.03055	2.5
147.94099	2.4
154.99873	11.8
157.06544	2.0
159.04506	2.4
163.04001	50.7
173.00908	83.8
177.05595	2.1
185.06087	7.8
197.01863	1.9
202.93608	1.8
203.06953	10.1
231.06590	23.7
245.09247	7.5
257.04413	3.4
269.06024	2.4
275.05594	9.3
280.09952	2.4
293.06863	3.3
319.04575	27.4
337.05621	100.0
338.06119	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	627.2692
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
54.41338	0.3
57.03442	0.7
59.01380	2.5
60.99302	0.4
61.98827	11.5
63.96226	1.3
68.29642	0.4
69.45280	1.9
69.45692	0.8
71.01379	6.2
73.02945	1.7
75.00861	0.6
75.78385	0.4
78.95902	0.5
78.98596	5.4
79.02721	0.4
79.95735	9.4
80.96515	52.4
81.03448	0.9
83.01374	0.9
85.02954	4.9
87.00874	2.4
87.04507	0.4
88.98807	2.0
89.02455	0.6
94.98088	12.9
96.96001	1.9
97.02944	1.2
99.00870	0.8
99.92561	0.5
101.02439	3.1
103.00340	0.6
106.15517	0.4
106.98093	3.1
109.02930	0.4
113.02463	0.8
116.92842	1.2
122.97590	4.7
125.02468	2.6
126.90553	0.6
127.04008	0.7
134.97577	3.7
135.04504	0.4
136.99129	1.2
147.03133	0.4
148.99138	5.3
151.00563	0.5
152.98624	5.7
164.98627	10.0
167.00166	0.7
171.10252	0.9
182.99643	2.0
191.01979	0.5
193.05063	0.8
206.99643	2.6
209.03041	0.5
211.13425	0.6
225.00725	20.8
226.00993	0.6
229.14398	0.7
236.39232	0.4
243.01744	2.1
280.19437	0.4
299.04410	2.5
327.21878	0.5
328.22079	0.6
538.74011	0.4
553.29889	1.1
609.30151	0.9
627.26849	100.0
628.17114	0.8
628.27216	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	627.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03448	15.1
58.94282	0.6
59.01374	2.5
60.89935	0.7
70.65431	1.4
71.01379	2.7
72.99316	1.1
83.01382	3.2
84.02149	1.5
85.02950	100.0
86.03265	1.7
87.36536	0.6
89.02463	0.9
96.96002	1.3
101.02470	0.7
111.00862	2.7
117.03512	1.0
119.05038	7.6
121.02985	0.8
129.01941	31.8
129.14233	0.8
145.02956	10.8
147.02994	14.3
162.69798	0.8
163.03998	8.9
173.00896	12.3
173.02223	1.2
174.97429	0.6
179.03450	0.7
191.01959	4.1
272.02835	0.9
293.06717	9.7
300.02402	0.9
301.02805	1.8
302.03796	0.7
307.07321	0.8
323.13440	3.0
327.78391	0.8
337.05624	26.4
338.05917	1.7
404.52112	0.7
433.74564	0.7
465.09579	0.8
627.14423	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	626.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76935	0.1
59.01387	0.2
61.98830	100.0
65.59147	0.1
69.38914	0.9
71.01393	0.4
78.95911	0.3
78.98597	0.3
79.95734	1.1
80.96519	2.9
82.96095	0.2
85.02962	0.5
88.98809	0.2
94.98103	0.7
101.02453	0.3
106.98109	0.3
116.92857	0.2
122.97567	0.2
125.02504	0.2
126.90471	0.3
134.97581	0.2
148.99078	0.3
152.98622	0.3
164.98618	0.5
222.07414	0.1
225.00685	1.0
226.01030	0.3
283.05948	0.2
336.87665	0.1
626.25629	5.3
626.34363	0.2
627.26282	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95160	0.1
59.01366	0.3
61.98830	100.0
69.34225	1.0
71.01382	0.4
75.00850	0.1
79.95742	0.4
80.96515	1.6
85.02956	0.4
88.98809	0.2
94.98101	0.4
96.96089	0.1
101.02482	0.2
101.54633	0.1
103.00321	0.1
113.02441	0.3
118.47150	0.1
126.90505	0.8
134.97694	0.2
148.99200	0.2
151.00328	0.1
151.51364	0.1
152.98561	0.2
163.14973	0.1
164.98666	0.4
206.99644	0.2
209.11836	0.1
225.00719	0.6
299.04636	0.2
331.99109	0.1
360.07846	0.2
416.47394	0.2
566.43304	0.2
626.25793	0.4
627.26794	3.2
646.27148	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	625.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20668	0.4
58.64652	0.4
59.01381	3.2
60.07079	0.5
61.98830	100.0
62.98540	0.8
63.96245	0.9
63.99277	0.6
69.03451	0.4
71.01381	4.9
71.21876	0.9
73.02950	1.1
78.95927	1.3
78.98594	1.8
79.95739	12.4
80.96517	33.4
85.02960	3.1
87.00886	1.4
88.98835	0.7
94.98083	7.3
96.96011	1.2
97.02941	0.9
99.08187	0.5
99.92644	0.5
101.02444	2.8
106.98093	1.6
113.02457	1.4
116.92876	1.2
119.03545	0.5
122.97618	1.4
125.02445	1.4
126.90485	0.5
134.97578	2.3
136.99191	1.3
145.25713	0.4
148.99144	3.1
152.98621	4.0
152.99646	0.6
158.70755	0.5
161.04552	0.6
164.98640	6.4
171.10278	1.0
206.99678	1.5
209.11897	0.7
224.98674	0.8
225.00761	10.5
241.00203	1.0
253.09264	0.9
299.04480	1.9
329.23428	1.8
330.74136	0.5
371.06546	0.6
375.86880	0.5
385.08197	0.6
403.42889	0.5
409.90533	0.5
441.14325	1.4
481.18253	0.4
509.17075	1.4
521.29810	1.9
539.30420	1.1
581.34113	0.6
625.25330	74.5
626.25702	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	625.2534
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
59.01375	1.0
59.83267	0.3
61.98830	29.1
63.96229	0.9
65.77842	0.3
69.03459	0.5
71.01379	5.5
71.51987	0.7
72.52026	0.3
73.02946	1.4
75.00870	1.0
78.95892	0.6
78.98589	4.5
79.95735	19.9
80.96516	50.8
81.03468	0.8
81.96458	0.3
83.01393	0.5
83.05018	0.4
85.02956	2.5
85.03429	0.5
86.18356	0.3
87.00870	1.8
87.04519	0.4
91.14453	0.4
94.98089	12.5
96.96002	1.2
97.02959	1.3
101.02431	2.2
103.00384	1.3
106.98096	2.6
113.02454	0.4
116.92915	0.6
122.97580	5.4
125.02435	3.3
127.04025	0.8
134.97580	4.1
136.99144	1.3
148.99127	5.1
152.98611	6.1
152.99728	0.5
161.04425	0.5
164.98630	9.8
167.00175	0.4
171.10367	0.4
173.28586	0.3
182.99684	2.3
188.98547	0.3
206.99669	2.9
209.11810	1.1
210.79132	0.4
225.00734	19.4
226.01042	0.3
241.00293	0.6
243.01750	1.5
299.04449	3.4
315.03912	0.6
317.05383	0.5
371.06561	0.8
385.08191	0.9
399.09546	0.5
427.12851	0.5
441.14337	1.8
481.17480	0.6
509.16742	2.2
625.25299	100.0
626.25610	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	625.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	5.5
66.03492	1.4
71.01362	1.4
71.51031	1.8
72.00896	1.3
72.11848	1.2
74.02470	17.0
78.95906	1.3
81.04572	1.7
82.02967	2.9
82.34029	1.2
84.00945	1.5
85.02973	3.1
85.04070	1.4
86.02473	7.3
86.06119	1.6
87.05630	3.8
87.38406	1.4
87.92506	2.0
88.98808	1.9
96.96001	7.7
97.04071	5.6
98.02440	1.2
99.05636	12.9
100.00416	4.1
101.07188	2.3
102.00213	2.7
102.05613	2.1
103.92049	2.4
105.99678	4.8
106.52767	1.3
107.06140	1.5
109.04069	2.3
111.05612	2.1
112.04087	2.4
113.03563	1.4
116.01759	2.0
125.03564	13.2
127.05128	17.6
128.03534	81.6
129.03819	1.4
130.86035	1.2
135.05653	5.4
141.03076	2.0
141.06683	2.0
143.04613	50.5
145.06143	3.3
146.04590	4.9
150.55965	1.3
153.06686	5.2
157.06122	3.0
159.07762	1.7
160.00734	15.0
166.09944	1.5
167.04599	4.5
167.08185	1.8
169.06149	1.6
172.10617	1.6
175.01778	4.7
177.03345	4.2
179.04591	14.8
181.06235	1.8
184.10793	1.2
185.05658	2.3
197.05638	5.0
209.03119	1.6
210.08820	13.6
226.08336	2.3
236.09573	1.4
242.07832	1.8
254.07782	14.7
272.08871	48.0
286.10373	7.1
288.06561	9.6
290.03827	1.3
304.06055	48.2
305.06314	1.4
306.07629	100.0
307.07816	3.3
318.07672	3.1
320.09198	23.9
338.04791	3.9
352.06424	3.3
400.19156	1.3
431.51004	1.4
496.11597	1.7
625.16095	20.9
626.16412	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	625.1411
Annotation	Gossypetin 7-glucosyl-(1->3)-rhamnoside
Peak:m/z	Relative Intensity
58.09214	0.4
59.01393	1.7
61.98834	0.5
63.02406	0.5
65.00335	1.1
69.56460	1.0
69.56862	2.2
71.01388	1.1
73.03011	0.5
83.01402	0.7
85.02941	3.1
88.98827	0.8
89.02458	1.2
95.01385	0.5
96.96011	0.9
101.02448	0.8
107.01385	2.4
108.02190	0.4
109.02959	1.2
109.26235	0.5
113.02473	0.5
115.92090	1.5
116.92872	0.7
119.26063	0.4
121.02954	1.0
123.00876	0.5
124.01682	2.3
135.00908	0.5
135.04610	0.5
136.01617	0.7
137.02460	1.9
149.04530	0.5
151.00371	8.6
152.01157	1.3
163.00359	1.0
164.01158	1.7
165.01849	0.4
178.99857	6.8
184.95332	0.4
187.04070	0.6
188.04726	0.4
191.01918	1.0
193.01320	0.6
193.05009	0.4
199.04008	0.8
200.61777	0.4
203.03516	0.7
204.04137	0.5
209.03038	0.9
214.02724	5.3
215.03284	0.7
227.03468	1.6
232.03653	0.7
242.02177	3.7
243.02956	4.3
254.02341	0.7
255.03000	4.9
259.02451	5.5
260.03174	0.7
270.01691	6.8
271.02463	43.3
272.02896	2.5
287.01968	19.3
288.02628	2.5
299.01904	1.9
300.02753	17.8
301.03445	8.2
316.02234	78.3
317.02844	13.5
341.82101	0.4
419.18619	0.5
463.08936	7.3
464.09277	0.6
468.94791	0.4
507.67062	0.4
605.04047	0.5
625.14044	100.0
626.14368	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	624.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.93952	0.4
69.94344	0.5
71.01372	0.3
78.95922	0.2
79.95766	0.6
80.96517	1.3
81.52604	0.2
85.02988	0.2
87.00879	0.2
94.42835	0.2
94.98081	0.2
96.96024	0.4
99.92589	0.3
106.98116	0.2
114.04913	0.2
116.92852	1.0
122.97670	0.2
126.90546	0.5
140.23820	0.2
225.00883	0.4
246.46371	0.2
314.55200	0.2
624.24036	2.4
625.25427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.1
61.98832	100.0
62.98543	0.1
62.99260	0.1
64.13841	0.1
64.83547	0.1
65.52090	0.1
69.21825	0.2
69.22248	0.4
71.01410	0.1
102.30773	0.1
124.56525	0.1
135.52850	0.1
189.43674	0.1
276.78635	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	624.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84668	0.0
59.01361	0.2
61.98830	100.0
62.98531	0.1
62.99260	0.1
71.01392	0.2
71.52482	0.1
73.02959	0.1
78.95902	0.2
78.98636	0.1
79.95728	0.3
80.96510	0.6
85.02964	0.1
89.02454	0.1
94.98111	0.2
96.95985	0.1
101.02472	0.1
116.92870	0.1
125.02432	0.1
126.90488	0.1
148.99127	0.1
164.98653	0.1
225.00735	0.3
347.13251	0.1
420.94467	0.1
424.07568	0.1
460.28915	0.1
625.25439	1.5
625.35291	0.1
633.01642	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	623.2378
Annotation	Hyoscyamide
Peak:m/z	Relative Intensity
57.03436	0.8
59.01366	2.9
61.98831	51.5
63.90977	0.5
63.96231	1.1
69.03459	0.8
69.50366	1.4
69.50767	2.5
71.01379	6.6
73.02937	1.8
78.95899	1.5
78.98591	3.8
79.95734	23.9
79.96207	1.2
80.96518	49.8
83.01385	0.8
85.02928	3.8
87.00870	1.7
88.98814	0.6
94.98093	11.8
96.96007	2.3
96.96894	0.6
97.02948	1.0
99.00869	0.8
101.02444	2.9
106.98059	2.8
113.02428	0.9
114.93394	1.1
116.92855	3.5
122.97578	4.7
125.02453	3.1
125.06087	0.8
126.90456	1.1
127.04057	0.7
132.52367	0.7
134.97580	4.4
136.99120	1.7
140.99609	0.6
147.02994	0.6
148.99153	4.2
152.98622	5.7
152.99661	1.1
164.98634	9.7
182.99673	1.8
196.99081	0.7
200.29863	0.7
206.99696	3.2
209.11807	2.2
225.00745	18.4
234.70514	0.7
243.01773	2.7
268.62299	0.6
299.04419	3.2
312.00305	0.8
348.83432	0.7
399.09384	1.2
413.11249	0.7
427.13022	0.9
441.14072	0.8
497.16946	1.7
525.16766	1.0
526.16113	0.7
623.23737	100.0
624.24243	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	623.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.1
61.98827	15.8
63.96249	1.0
71.01385	5.1
71.42051	0.7
73.02942	1.8
78.95871	1.4
78.98583	4.2
79.95734	25.2
80.96519	51.8
85.02940	3.8
87.00865	2.0
94.98080	10.6
96.96008	2.1
97.02921	1.3
99.92622	0.7
101.02411	1.8
106.98081	2.9
109.02898	0.7
116.92868	6.3
122.97559	2.5
125.02457	3.1
134.97568	4.3
136.99133	1.5
148.99127	5.8
152.98622	5.2
161.04594	0.9
164.98625	10.5
191.01927	0.7
197.11824	0.7
206.99699	3.1
207.10229	0.8
209.11841	1.6
224.98691	1.1
225.00739	15.0
228.37439	0.7
241.00302	1.2
299.04416	2.5
335.32819	0.7
371.06534	1.1
385.07990	1.2
399.09384	1.0
413.11533	1.0
422.90710	0.9
427.12509	1.6
497.16736	2.1
525.16125	1.5
581.05212	0.8
623.23755	100.0
624.24072	10.8
635.98694	0.6
642.84308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37827	0.4
57.03450	2.2
59.01383	5.2
61.98826	2.1
69.52684	3.0
71.01389	2.6
72.99307	0.6
73.02949	1.0
75.00875	0.7
79.95728	4.3
80.96545	0.9
83.01431	0.6
84.02161	0.4
85.02950	10.7
87.00871	0.8
87.70998	0.4
88.98805	2.2
89.02452	1.1
92.63503	0.4
95.95240	6.2
96.96014	57.6
101.02448	0.8
110.38578	0.5
113.02472	0.6
114.40463	0.4
115.00355	0.5
115.92080	0.5
121.02977	0.6
126.90510	1.5
129.01962	0.9
135.04482	0.5
136.99147	0.7
146.06129	0.4
147.03069	0.9
151.00354	0.5
165.02229	0.6
179.03389	0.5
191.01965	3.9
203.14474	0.8
207.10234	0.5
209.03021	9.0
219.06973	1.0
225.11365	0.5
231.06935	3.3
231.15993	3.2
231.82848	0.6
249.14949	19.7
250.15257	1.0
285.11621	4.6
310.30795	0.4
311.09628	2.8
312.10162	0.7
329.10629	100.0
330.10934	6.5
427.10034	0.5
519.31232	1.6
537.32715	0.9
579.34283	0.6
623.20074	86.0
624.20447	10.4
624.40900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1979
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
57.03446	0.9
57.65955	0.3
58.00590	0.4
59.01378	7.3
61.98818	0.4
69.94286	1.7
71.01379	8.8
73.02953	0.4
83.01391	0.7
85.02948	8.8
87.00871	0.8
88.98794	0.4
89.02446	3.4
95.01391	3.1
96.96009	0.5
99.04623	0.3
101.02454	2.1
105.03448	0.6
113.02444	15.3
117.03490	1.0
119.03513	0.6
123.04510	1.5
126.90514	0.6
129.01942	0.4
132.02168	1.5
133.02953	34.3
134.03308	0.6
135.04524	13.8
136.04880	0.5
153.05589	1.0
161.02435	100.0
162.02769	3.5
179.03491	2.4
191.01936	0.6
193.04999	0.5
209.03119	0.5
297.09824	0.6
315.10886	1.1
359.15106	1.0
443.22745	4.7
461.16626	7.5
461.23114	0.4
462.17197	0.5
479.18378	0.4
503.19220	3.0
504.19809	0.5
521.20203	0.9
563.21484	0.8
599.78394	0.4
623.19781	61.5
623.28351	2.9
624.20117	6.9
624.29999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88987	0.1
55.15182	0.1
59.01369	0.1
60.16421	0.1
61.98829	100.0
63.36718	0.1
64.00196	0.1
70.34896	0.2
75.74801	0.1
79.31462	0.1
80.96551	0.1
92.21357	0.1
92.39613	0.1
98.20351	0.2
116.92850	0.2
131.39627	0.1
170.74512	0.1
222.33464	0.1
639.61017	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	622.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.1
61.98829	100.0
62.98533	0.1
64.50019	0.1
70.37678	0.2
71.01377	0.1
78.98616	0.2
79.95741	0.4
80.96513	0.6
85.02946	0.1
94.98078	0.2
98.20250	0.2
101.02515	0.1
116.92862	0.5
125.06030	0.1
137.22482	0.1
145.16617	0.1
152.98628	0.1
225.00749	0.2
262.52322	0.1
293.73318	0.1
390.89490	0.1
402.54761	0.1
522.33551	0.1
623.23743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.54219	0.2
61.98830	100.0
71.01382	0.3
71.52866	0.3
78.05560	0.3
78.95906	1.5
79.95735	0.3
80.96528	0.5
85.02964	0.2
96.96005	0.3
98.60600	0.3
116.92874	0.6
122.40719	0.2
143.81065	0.2
162.41043	0.2
197.11972	0.3
216.33961	0.3
305.87726	0.3
372.12924	0.2
426.58136	0.3
577.19373	0.4
622.37994	0.5
623.24646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
59.29322	0.4
61.98830	100.0
66.79064	0.6
68.89545	0.4
71.05193	0.4
71.41039	0.7
75.00841	0.5
78.95888	0.4
85.02943	0.9
88.98820	1.5
111.79288	0.4
131.65758	0.4
135.57643	0.4
178.57202	0.4
191.02046	0.5
205.03523	0.4
311.21136	0.6
387.58859	0.5
623.27710	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67652	3.0
55.88780	3.1
57.03436	8.0
59.01377	8.8
71.01378	11.0
71.51636	4.3
72.99288	3.1
75.00880	3.7
78.95894	4.8
83.01382	10.5
85.02464	6.0
85.02951	100.0
89.02438	4.9
93.13000	3.0
96.95994	13.4
98.46454	3.2
101.02433	4.2
111.00859	10.7
119.04990	7.6
129.01949	15.9
133.01427	4.6
143.03522	3.3
147.03015	7.6
147.04478	7.3
163.04007	15.2
164.07159	18.0
173.00873	5.1
174.76805	3.2
191.01961	46.6
206.08235	19.4
209.03011	5.9
209.74489	3.2
223.04597	63.0
228.94133	3.4
238.08499	3.4
268.55164	3.3
337.05765	7.4
369.08154	14.1
433.82068	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.2
57.03435	8.3
59.01380	100.0
61.98835	31.2
71.01008	4.1
71.01379	53.7
71.21883	3.7
72.99284	5.3
73.02939	11.8
75.00875	2.3
78.95914	3.6
82.77477	2.3
83.01374	12.3
85.02950	47.5
87.00863	4.1
88.98795	9.4
89.02451	27.8
95.01386	5.5
96.96024	15.8
98.20354	3.2
98.96672	2.4
99.00888	6.1
99.92587	2.8
101.02450	30.4
111.00906	6.3
112.01701	2.3
113.02451	28.6
116.92847	6.1
119.03490	9.8
121.02966	4.2
125.02448	9.2
126.90529	11.8
129.01932	4.9
135.04556	3.3
137.47591	2.4
143.03477	5.0
147.02974	5.0
159.03017	3.7
161.02412	3.0
161.04527	6.4
171.10237	2.2
179.03671	2.2
179.05515	3.6
191.01920	7.3
209.02939	4.6
244.15802	2.5
289.18011	3.0
373.22522	4.5
426.30652	2.3
447.17017	2.6
459.15189	2.8
476.77673	2.4
496.16672	2.1
517.26483	95.1
518.26886	11.2
535.27576	85.7
536.27893	6.6
577.28119	16.3
621.23004	4.4
621.35364	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	619.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04283	1.6
57.03469	2.9
57.63885	1.6
59.01381	22.1
61.98830	27.8
69.56998	10.1
71.01376	7.1
75.00839	2.6
84.87664	1.5
85.02962	10.6
88.98796	7.3
89.02444	6.8
96.96031	2.2
101.02441	6.4
112.73280	1.6
113.02453	4.2
116.92861	2.8
125.09703	1.7
126.90421	1.8
130.59398	1.5
163.11359	2.4
171.10330	2.1
187.03778	1.8
191.01967	4.0
197.11810	3.8
209.03009	3.9
209.11865	1.8
231.28207	1.6
239.13007	2.4
253.09315	22.0
291.19653	10.6
308.19852	4.5
323.22256	100.0
324.22586	8.3
335.20020	1.6
527.28625	3.1
554.44727	1.9
559.31604	3.9
619.32336	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	619.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51301	1.1
50.58864	1.1
54.55026	1.0
55.01878	1.6
59.01377	15.4
61.98817	2.1
64.62090	1.3
71.01386	3.9
71.42439	2.4
76.18574	1.1
78.95895	1.6
81.89510	1.1
85.02942	3.3
88.98835	2.3
89.02449	3.9
99.39507	1.3
101.02426	4.3
103.00414	1.2
113.02432	1.8
116.92890	1.2
120.05889	1.1
125.09697	2.5
161.04527	2.2
163.11211	1.4
165.09219	1.5
177.12796	1.4
181.12273	1.3
182.23402	1.2
197.11736	1.4
207.98483	1.2
239.12950	2.2
253.09283	23.3
291.19717	7.4
308.19775	2.8
323.22269	100.0
324.22491	7.2
364.82422	1.3
559.30725	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	619.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85246	0.3
59.01366	0.9
60.99307	17.6
61.98820	1.5
63.20539	0.3
75.00848	0.4
85.02952	1.0
87.00882	0.5
88.00401	2.1
88.98804	100.0
89.02445	9.3
89.99139	0.7
95.20664	0.3
103.11429	0.3
110.56042	0.3
116.92860	0.5
127.93137	0.3
135.04482	0.4
148.91003	0.5
166.20206	0.3
177.76228	0.4
179.83949	0.3
191.01990	0.6
233.18210	0.3
240.65742	0.3
291.19653	1.7
535.38812	0.4
583.22009	0.7
640.36584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57697	0.8
57.03426	1.0
58.37219	0.8
59.01377	20.3
61.98835	4.3
71.01376	4.3
72.99306	1.4
73.02960	1.6
80.20414	0.8
83.01394	1.0
85.02955	7.0
87.00892	1.4
88.98813	3.5
89.02435	5.7
97.29008	0.9
101.02441	4.9
109.06607	1.2
111.08226	0.9
113.02452	2.9
116.92863	1.6
119.03527	1.7
125.09659	1.0
129.01895	0.8
142.12938	1.0
151.11290	1.5
153.12775	1.0
156.25606	0.8
161.04579	2.6
171.10219	2.5
181.12357	3.9
191.01909	1.6
197.11816	14.9
202.81335	1.0
207.13853	1.7
213.14934	2.8
222.11748	0.9
235.08340	1.1
253.09267	28.3
273.18542	1.7
291.19666	10.0
305.21210	1.6
318.39435	0.9
323.22250	100.0
324.22510	7.9
358.17526	1.0
380.10233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
59.51810	0.7
61.98828	1.4
62.91004	0.8
70.88752	0.7
75.00873	77.8
78.95902	0.9
96.96021	3.5
103.00373	100.0
103.03998	2.6
143.91542	0.9
166.32996	0.9
199.00262	0.7
199.87064	0.7
271.89090	0.8
277.21704	2.6
401.12561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58396	0.4
56.04708	0.4
59.01378	6.5
60.99303	15.7
61.98820	1.6
65.90632	0.4
70.03289	1.5
71.01373	1.3
72.99313	0.5
73.02946	0.4
77.02953	0.4
83.01419	0.4
85.02947	2.2
87.00874	0.9
88.00410	1.7
88.98803	100.0
89.02438	9.0
89.99168	0.5
96.95967	0.8
98.19917	0.6
98.20464	0.7
98.79910	0.4
101.02431	1.8
111.08115	0.7
113.02467	1.0
116.92902	0.7
129.01949	0.5
132.92432	0.4
142.52763	0.4
161.04568	1.0
164.29779	0.4
165.96616	0.4
181.12352	0.6
191.02028	0.6
197.11830	3.6
213.15036	1.0
253.09274	6.7
291.19647	1.5
305.21201	0.9
323.22253	25.5
324.22595	2.4
329.71820	0.5
449.75803	0.4
605.43048	0.5
633.84723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.1
61.98821	4.4
71.01389	5.2
71.51933	3.7
71.62566	1.9
71.96534	1.8
79.32318	2.1
79.71709	2.0
89.02444	3.4
93.37242	1.7
101.02464	2.2
113.02436	2.5
119.08662	3.7
125.09686	2.1
171.10310	2.2
235.08099	2.1
237.11366	5.3
249.57402	2.0
253.09291	20.0
263.02295	2.1
269.38065	2.1
289.18103	21.4
321.20697	100.0
322.20938	5.7
401.13519	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54375	1.0
59.01372	3.3
61.98835	1.9
70.18305	1.1
70.30981	2.8
75.00873	70.9
78.95937	1.3
80.00278	1.1
96.96018	2.7
98.19957	1.1
101.02445	1.2
103.00372	100.0
103.04007	3.5
104.00668	1.6
109.99385	1.0
114.97175	1.1
158.99005	1.2
163.03929	1.5
176.38354	1.2
229.42273	1.1
277.21576	3.5
617.38898	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	617.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92890	0.4
57.03426	0.8
57.67873	0.5
59.01380	7.1
61.98814	0.6
69.03446	0.5
71.01383	5.7
73.02949	0.6
83.01385	0.6
83.05003	0.8
85.02924	1.8
87.00876	0.4
89.02439	5.2
95.01373	0.8
97.02922	1.0
101.02448	4.9
113.02440	2.3
115.92031	0.4
119.03500	1.0
123.04519	0.4
125.06040	0.7
125.09683	1.2
141.12874	0.8
143.03485	0.7
161.04535	2.4
163.11301	4.2
165.09222	0.5
165.12862	5.2
179.05566	0.5
179.14395	1.8
181.12334	1.8
185.11743	0.8
191.14549	0.4
193.15970	2.0
197.11752	0.8
209.11792	2.1
219.17580	0.6
223.13467	2.2
235.08470	0.5
243.18672	0.5
247.20638	6.6
253.09276	25.5
273.18607	2.0
281.44580	0.5
291.19656	76.4
292.20026	4.5
309.20703	100.0
310.21063	6.5
340.80466	0.4
426.01431	0.5
545.29694	1.0
573.29303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01377	7.5
61.98829	3.0
69.03455	0.5
71.01373	5.7
72.99302	0.7
73.02936	1.0
74.25634	0.4
83.01375	0.7
85.02955	3.0
87.00871	0.9
89.02444	5.9
91.58448	0.4
95.01389	0.6
96.95999	0.5
97.02932	0.5
98.20277	2.6
99.00877	0.5
100.62716	0.5
101.02448	6.7
111.08159	2.5
113.02460	2.9
115.92053	0.5
116.92841	1.6
119.03503	1.6
125.02456	0.5
125.09683	0.5
126.90472	1.0
127.11296	1.3
129.01964	0.6
131.03548	0.5
139.11237	0.4
141.29013	0.4
143.03568	0.6
149.09711	0.5
151.11310	1.1
153.09221	0.5
153.12874	2.6
155.10760	1.6
159.02780	0.4
161.04605	2.0
167.10724	1.2
169.12347	0.9
171.10284	1.4
179.05560	0.7
179.10764	0.6
179.14407	1.3
181.12325	2.9
191.01888	0.6
193.15952	0.8
197.11853	7.4
199.13397	1.3
201.11238	0.4
207.13870	1.4
209.11794	1.2
215.12955	0.6
226.11902	0.5
227.12807	0.9
228.13539	0.8
245.19290	0.5
247.20700	3.7
253.09274	21.5
263.20047	0.9
265.21689	0.8
273.18475	2.4
281.21146	1.9
291.19644	29.0
292.19968	1.8
293.21368	1.4
307.18994	0.6
309.20700	100.0
310.21072	7.3
368.14276	0.5
455.29388	0.4
545.29578	17.1
546.29944	1.7
581.27563	1.1
617.25732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.7
61.98812	2.2
67.24072	0.7
70.64392	2.1
71.01379	6.2
73.02933	1.4
78.18732	0.6
85.02940	1.5
89.02457	4.8
95.01389	0.7
98.81839	0.8
99.00921	0.7
101.02444	4.0
107.14578	0.7
111.08129	1.8
113.02420	2.4
119.03497	0.9
120.42805	0.7
125.09744	0.7
126.90514	15.1
127.11324	2.0
153.12863	3.4
155.10704	1.2
161.04558	2.1
165.12852	0.9
167.10750	2.2
169.12248	0.8
171.10277	1.5
179.14374	1.5
181.12360	3.4
193.16058	1.0
197.11806	2.4
207.13884	1.7
209.11792	1.1
221.00734	0.7
227.12828	1.3
228.13643	1.2
236.74733	0.7
247.20712	4.1
253.09290	17.2
273.18570	2.5
281.21255	1.4
291.19653	26.8
291.35464	0.7
292.20007	2.1
293.21246	0.9
309.20694	100.0
310.21063	6.8
330.96649	0.7
333.36221	0.7
395.07095	3.7
497.61832	0.7
545.29584	19.6
546.30029	2.2
602.20801	0.8
617.40912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64662	0.8
52.83575	0.8
56.36441	0.7
57.03444	1.5
59.01384	9.2
61.98829	31.6
69.34669	0.7
70.43462	0.9
71.01394	7.3
71.51553	1.2
73.02952	0.9
75.00882	0.9
78.95901	0.9
83.01409	1.3
85.02950	4.4
87.00880	1.4
89.02450	5.3
96.96014	1.7
99.92596	0.9
101.02425	6.6
113.02469	3.4
115.92175	1.1
116.92872	4.2
119.03534	1.2
123.04549	0.9
125.05977	0.8
125.09714	1.1
126.15161	0.9
126.90505	1.7
135.50594	0.8
138.74001	0.8
143.04596	1.3
144.54597	0.9
151.00343	3.0
161.04575	3.0
163.11307	2.7
165.12854	4.4
171.10289	1.3
179.14397	1.1
181.12309	2.6
191.01935	1.3
193.15865	1.4
195.13928	1.0
197.11816	1.8
209.11847	2.9
223.13403	1.0
247.20631	5.9
253.09294	23.4
255.03008	1.2
272.09238	1.1
273.18567	1.8
282.01651	3.6
283.02216	1.3
291.19678	56.4
292.19971	4.0
309.20709	100.0
310.21069	6.9
364.22549	1.1
447.07379	1.2
465.08368	3.2
545.29584	6.7
617.26648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01371	4.0
61.98825	5.2
63.13669	0.7
71.01381	2.6
71.52874	1.2
79.95736	41.0
80.96521	1.0
85.02950	6.4
88.98740	0.8
89.02463	2.2
95.95244	8.9
96.96009	100.0
99.92570	0.9
101.02404	1.2
110.97574	9.7
115.92095	1.2
116.92846	4.0
122.04766	0.8
126.90481	1.6
129.01942	1.8
136.01665	1.0
137.02426	2.6
141.95741	1.0
147.03040	0.8
149.99947	1.1
151.03989	1.0
163.03937	0.7
165.01968	0.8
171.10199	1.0
177.05623	0.9
191.01915	0.9
192.82228	0.7
207.68295	0.9
211.28574	0.9
245.01413	0.9
259.02762	2.2
317.12433	0.9
366.56180	0.8
391.15994	2.0
492.17596	1.4
537.19659	1.1
571.12463	1.0
572.13666	1.6
587.15594	2.4
617.16895	97.8
618.17090	12.1
618.34503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02021	9.1
59.01385	21.1
61.98829	100.0
62.69145	9.0
69.75681	35.5
69.76097	19.4
85.02970	19.9
86.38853	9.0
89.10738	10.0
96.96026	10.8
98.19993	22.8
98.20541	19.7
99.12207	10.2
106.58523	8.8
116.92880	24.3
126.90545	14.0
167.63940	10.1
171.10316	14.7
182.19891	9.7
198.52635	9.6
212.75305	9.0
222.63647	10.0
225.11418	9.7
242.67276	10.1
293.39279	9.8
350.44150	10.2
481.18671	26.5
540.05212	11.7
554.17480	11.1
579.25549	92.7
615.23309	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	615.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96042	0.6
55.78621	0.5
57.03452	18.6
59.01379	6.8
61.98831	5.5
62.92979	0.7
71.01382	2.7
71.51454	1.2
73.02933	1.5
79.20778	0.6
79.95739	5.3
80.96516	1.0
84.17943	0.6
85.02957	4.8
87.00879	0.8
88.15520	0.6
89.02460	0.9
95.95231	1.5
96.96011	38.3
99.04520	16.1
101.02434	7.8
107.01401	1.5
113.02488	0.7
123.00879	0.6
125.02448	4.2
126.22996	0.6
126.90507	100.0
129.01982	0.7
130.08714	0.7
131.54428	0.7
151.00378	4.2
152.98499	0.7
159.04568	0.7
161.04555	12.5
167.45526	0.7
169.01425	3.9
178.99861	2.3
191.01926	1.0
193.05083	0.8
215.03587	0.7
222.99133	0.9
241.00259	2.3
243.02989	1.8
254.02005	0.7
255.02971	7.0
263.11136	0.9
271.02481	12.3
272.02979	0.9
300.02734	30.2
301.03500	13.1
302.03656	0.9
313.05740	1.4
323.04575	0.9
325.05875	2.1
343.06937	4.7
385.04428	6.9
463.08817	12.2
464.09296	1.0
470.97974	0.8
487.11264	5.6
615.02515	95.3
615.10400	25.2
616.02863	6.7
616.10956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55669	4.5
57.03436	5.1
59.01386	27.0
61.94179	5.6
61.98829	50.3
71.01376	18.2
71.46033	6.1
73.02949	8.6
75.00860	7.1
75.26157	4.7
78.95899	6.3
83.01399	5.3
85.02959	21.5
88.98827	5.5
89.02438	9.0
96.96027	6.5
99.92565	5.8
101.02448	10.1
103.00421	4.7
106.06637	4.9
111.00884	6.7
116.92863	14.8
119.03513	4.7
122.06078	6.0
125.02411	5.4
125.09726	12.3
126.90467	6.4
135.04468	6.1
136.07660	13.7
141.09180	7.2
152.07143	9.7
153.09277	5.3
169.08687	19.5
171.10284	28.9
178.42781	5.0
191.02043	5.5
197.11798	11.9
201.11218	15.4
207.10281	7.0
209.03026	6.7
209.11832	73.0
210.12352	5.3
225.11327	16.4
238.11058	5.9
249.87399	4.5
253.09271	52.4
253.13518	7.9
257.12805	37.3
277.17892	5.8
287.16495	11.4
295.19122	5.8
305.17599	100.0
323.18607	18.4
341.23288	39.9
419.93890	5.3
436.18524	7.4
461.20334	11.8
490.20313	29.7
541.26678	16.2
550.21948	21.9
551.22595	6.6
559.27527	13.6
560.28058	7.1
577.32178	13.0
595.25769	12.3
613.29016	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.4
57.03453	4.3
59.01360	11.6
61.98829	16.5
69.45747	4.5
69.46136	19.0
71.01370	10.2
73.02898	2.9
75.00882	2.8
78.95895	4.3
85.02956	16.9
89.02456	4.2
96.96014	5.9
99.92560	4.1
101.02398	6.9
103.00339	3.3
106.06611	8.2
108.04534	10.5
115.92048	4.6
116.92831	10.8
124.07639	7.5
125.09689	3.3
128.03537	3.5
129.01909	5.1
132.08192	4.6
134.06052	4.5
134.09613	3.1
136.07655	17.1
147.02917	5.1
150.05614	3.6
160.07680	3.5
169.08655	2.9
171.10240	14.5
172.90518	2.9
178.05133	4.0
185.11856	3.0
191.01952	11.6
197.11839	4.3
209.02956	3.1
209.11823	15.9
211.12238	3.0
225.10336	3.5
237.10249	4.8
238.11111	28.8
253.09344	22.7
253.13409	64.2
254.13634	5.1
257.12970	54.4
257.74078	3.0
299.13782	2.8
301.11948	3.1
305.17603	20.2
341.23386	34.3
407.18985	8.0
436.18716	22.2
448.26291	3.4
462.20419	4.8
490.20578	6.0
536.08307	2.7
537.25171	14.7
541.26093	4.5
559.27570	5.3
560.28345	3.2
577.32062	9.9
581.23871	26.7
613.26819	100.0
614.26703	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	613.2666
Annotation	Quivisianone
Peak:m/z	Relative Intensity
59.01387	3.1
61.98822	4.8
80.05042	1.8
80.24374	0.5
85.02950	0.9
93.65208	0.5
94.06612	1.4
96.96031	0.8
98.20656	1.3
101.02422	0.8
106.06620	7.6
107.06954	0.8
108.04555	10.3
108.08162	0.6
116.92838	1.9
118.06599	0.5
121.05373	0.6
122.06090	0.6
124.07682	6.1
126.90489	0.7
132.04576	0.9
132.08224	2.8
134.06134	4.0
134.09746	1.3
136.07680	20.6
137.07976	0.8
143.04636	0.6
144.04509	0.8
150.05617	2.6
152.07091	1.0
152.12045	0.5
160.07613	2.0
164.03545	0.7
169.08591	0.7
171.10257	1.1
178.05089	1.7
190.26582	0.5
195.09259	1.0
211.12392	2.6
223.08719	1.7
224.09526	1.3
225.10356	1.8
227.08290	0.7
229.11089	0.7
236.09444	0.7
237.10333	2.8
238.11110	33.4
239.11720	2.8
241.09764	1.9
242.10503	0.7
251.11868	3.5
252.12608	0.8
253.13448	69.2
254.13834	3.4
255.11325	3.0
257.12939	50.8
258.13318	3.3
279.11316	1.6
285.12363	1.7
295.10822	0.8
299.10632	0.9
299.14008	1.8
301.11966	1.1
327.13470	0.7
341.23386	1.4
364.16776	0.7
368.20657	0.6
374.18707	0.7
390.18167	0.8
392.19699	2.7
418.21475	1.3
436.18787	27.3
437.19153	2.1
462.20337	3.1
509.22238	0.9
537.25024	14.7
538.25366	1.9
581.24017	27.1
582.24536	2.7
613.26642	100.0
614.16840	0.8
614.26990	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	613.2294
Annotation	Chlorophyllide a
Peak:m/z	Relative Intensity
55.51482	4.7
59.01359	17.8
61.98827	42.7
62.18705	4.5
71.01373	13.2
71.52033	4.7
74.99103	7.9
85.02959	25.0
88.98798	11.4
96.96008	17.4
104.04891	4.0
106.06583	7.8
108.04578	5.5
109.02949	6.8
116.92850	11.6
119.05003	6.2
121.02972	5.8
126.90479	8.6
129.01962	5.7
135.04524	56.3
136.01634	19.5
136.07674	10.3
136.99155	7.6
137.02426	5.8
145.02901	11.8
147.03065	5.2
150.03261	4.3
151.00397	6.9
151.04021	24.1
153.01082	5.6
159.04523	21.7
160.04091	6.3
160.05292	62.8
161.02402	9.1
161.05997	11.4
165.05458	5.6
169.00848	4.4
175.07646	52.9
191.01910	6.6
195.06586	5.0
197.04465	9.1
209.03035	10.8
253.04956	9.0
253.13522	8.2
255.11383	23.0
269.04517	26.4
271.10941	21.3
274.08929	4.2
280.07413	10.6
281.04465	26.4
284.06882	23.1
285.07263	4.5
295.06036	6.7
296.06796	22.7
297.07623	6.0
299.09235	44.1
305.02048	4.8
311.09213	71.2
313.12045	5.2
332.16226	11.1
400.09467	6.9
405.94772	4.4
415.11703	15.2
427.11722	11.9
430.14236	27.9
434.16754	4.7
442.14142	18.7
445.16629	57.7
452.17776	10.1
457.16440	6.6
478.19501	15.4
493.18588	42.7
505.18695	84.7
506.19049	9.2
523.19702	54.6
524.19922	5.9
535.19611	99.3
536.19971	15.2
595.22076	7.2
613.13483	7.7
613.22906	100.0
613.40918	6.5
614.24854	53.1
630.73755	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	613.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
58.00602	1.2
59.01382	35.4
65.56515	0.6
69.59881	2.2
69.60296	2.0
71.01015	1.3
71.01382	18.6
72.99308	1.0
83.01398	1.2
85.02953	7.7
87.00891	1.1
89.02444	22.5
95.01392	2.0
96.95993	1.6
98.20244	2.7
101.01813	1.3
101.02447	15.6
105.01951	7.6
113.02452	9.0
119.03503	9.3
121.02953	2.1
129.01933	1.1
131.03481	1.0
135.04539	1.1
137.02431	0.8
143.03476	1.1
147.02991	1.1
149.04453	0.8
153.05591	1.3
156.74393	0.7
161.02443	3.3
165.01920	2.0
177.29373	0.7
191.01982	1.4
197.04549	4.6
201.01796	0.8
204.32121	0.7
263.17349	0.7
267.05127	4.3
289.03256	2.6
301.03448	0.9
323.13461	100.0
324.13788	4.6
345.08304	0.9
474.54498	0.7
578.96527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.2
70.18118	0.5
70.18497	0.5
71.19136	0.2
73.02933	1.2
80.26455	0.2
89.81617	0.2
99.92583	7.5
100.72288	0.2
100.92599	0.4
114.93419	0.4
115.65789	0.2
116.92860	100.0
117.01944	3.2
117.92867	3.7
128.11047	0.2
142.74164	0.3
161.68329	0.3
269.98892	0.2
318.31335	0.2
495.44626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45879	0.9
57.03455	2.0
58.02974	15.8
59.01369	1.4
59.90705	0.7
61.98825	4.3
64.19455	0.8
66.03481	1.8
66.83430	0.8
67.13892	0.9
69.77872	4.6
71.01381	3.5
72.00919	1.5
72.97541	6.0
73.85960	0.9
74.02476	26.2
77.43641	0.8
80.96546	2.0
81.04557	1.4
82.02985	3.6
85.02948	11.3
85.04073	1.3
86.02490	11.4
86.06105	1.3
87.05654	6.7
97.04082	3.0
99.05642	23.3
100.00410	2.5
100.04027	1.0
101.07188	4.4
101.58460	0.9
102.05608	4.4
107.06178	0.9
108.43528	0.9
109.04083	4.9
109.07790	0.9
111.05641	2.5
112.04044	1.8
113.03532	0.9
116.49390	0.9
123.05647	1.7
124.04101	0.9
125.03574	3.3
127.02229	1.0
127.05122	4.6
128.03539	73.0
129.01976	1.2
129.03844	1.0
133.03008	1.7
135.04620	1.3
135.05664	7.8
137.07201	1.6
141.06706	3.3
143.04620	93.2
144.04968	1.2
145.06187	2.9
146.04599	11.4
147.02974	1.5
153.06714	5.2
155.08266	1.8
160.51617	0.8
166.09839	3.6
167.04607	3.9
167.08247	6.0
169.06299	1.1
170.03313	2.3
171.04077	1.8
171.10199	1.6
173.01024	1.1
179.04651	26.5
179.31165	0.8
180.05103	1.0
181.06158	2.2
183.00655	0.8
185.04082	1.3
185.05698	3.5
191.01997	3.2
192.07829	2.5
197.05670	4.1
209.03056	1.7
210.08856	20.8
223.13391	2.4
228.09911	2.7
254.07808	61.9
255.08081	2.8
270.12915	6.8
272.08878	100.0
273.09134	3.7
291.19760	3.6
293.21423	1.2
295.19571	0.9
304.06076	1.5
327.21921	1.4
339.20032	2.0
483.25385	3.5
594.28503	3.8
612.29492	35.7
613.29932	5.2
617.24713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11766	0.4
57.03437	0.8
59.01383	3.9
60.99310	0.5
61.98833	7.5
66.53687	0.5
67.88605	0.4
71.01376	2.1
73.02940	0.6
78.95905	1.4
81.03457	15.2
83.01404	0.6
83.05028	35.6
83.18475	0.5
84.05355	0.5
85.02951	3.7
87.00861	0.6
88.98807	4.6
89.02454	0.9
96.95999	1.8
97.11293	0.4
98.03247	0.5
100.07693	2.5
101.02460	1.4
105.92936	0.5
113.02448	0.7
116.92867	0.7
126.05579	0.7
126.90491	2.9
129.01987	0.6
162.92661	0.4
191.01947	1.3
199.18161	5.2
209.03073	0.8
211.13394	1.1
225.16084	7.8
243.17122	21.4
244.17494	0.6
244.86040	0.5
246.84325	0.6
269.14948	1.0
288.52542	0.7
307.12750	0.5
309.21860	0.5
353.20877	4.2
413.38480	0.5
431.47488	0.5
451.32990	1.9
469.34012	6.9
507.27902	1.6
525.28864	1.1
551.30609	0.7
553.61938	0.6
579.37811	2.3
611.40240	100.0
612.40485	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	611.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80149	0.7
57.03466	2.3
58.00601	2.1
59.01380	70.0
59.98520	0.7
60.01730	0.8
61.98835	1.5
70.25964	1.4
70.26279	0.7
71.01381	29.7
71.05045	0.7
72.99305	3.1
73.02962	1.1
75.00880	0.7
83.01411	2.0
83.63211	0.7
84.02204	0.8
85.02953	9.0
87.00905	1.8
89.02445	26.2
95.01414	2.1
96.96009	1.0
98.19964	0.7
99.04515	29.7
100.04865	0.7
100.70825	0.6
101.02440	14.1
103.59448	0.5
107.08665	0.6
109.06598	0.8
111.00946	0.7
111.04533	1.0
113.02458	12.1
117.45511	0.5
119.03497	7.7
125.02530	0.6
131.03461	1.0
135.04541	0.7
143.03555	0.8
151.00432	0.7
163.15022	0.9
165.12886	2.3
179.05609	1.6
189.12854	6.9
207.13898	47.7
208.14262	2.0
209.11826	20.6
210.12292	0.8
225.14911	3.6
233.11874	1.7
251.12883	70.6
252.13264	2.5
269.13928	57.7
270.14261	2.7
311.15002	1.8
387.19769	0.7
413.18347	0.9
431.19202	91.0
432.19519	6.4
449.20270	50.7
450.20551	2.8
491.21375	0.7
611.25519	100.0
612.25812	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	609.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61111	2.4
57.03441	4.4
59.01381	67.4
61.98831	16.0
71.01383	21.6
71.51943	2.1
73.02936	6.3
83.01392	4.6
85.02953	21.3
87.00879	4.0
88.98808	4.9
89.02435	3.5
95.01392	2.5
96.96011	3.1
97.02966	2.2
97.06591	2.6
99.00873	3.4
101.02454	14.7
111.00844	2.8
113.02441	9.1
115.41429	2.9
116.92835	8.8
116.95442	1.9
119.03476	2.4
124.01646	2.8
125.02431	3.9
125.09737	2.4
126.90508	2.5
129.01869	2.5
136.38530	2.5
137.09744	2.9
145.77655	2.3
151.53853	2.1
161.04553	2.7
191.02049	3.3
201.14906	2.6
211.13377	9.9
271.02493	2.4
300.02771	5.0
359.28027	3.9
361.29727	12.5
397.13705	4.5
415.14453	2.3
472.37970	2.3
483.55069	2.6
505.33853	100.0
506.34042	10.7
507.28165	2.3
523.35059	22.6
565.35742	9.1
609.27191	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50260	0.5
61.48405	0.6
63.02408	0.7
65.00328	1.5
65.77312	0.4
69.26442	4.6
76.03474	0.5
82.85440	0.4
83.01375	0.6
103.59770	0.5
107.01408	2.9
108.02175	1.6
109.02940	1.6
121.02946	1.8
135.00899	0.9
136.33136	0.5
148.01686	1.2
149.02478	0.7
151.00362	11.2
163.00349	2.3
164.01117	0.8
166.45953	0.5
178.99886	4.7
185.02391	0.6
190.99670	0.6
199.04018	0.9
201.05661	0.6
215.03394	0.8
216.04095	0.6
217.24257	0.5
226.02689	1.5
227.03540	2.6
229.04959	0.6
243.02959	9.1
244.03470	0.9
245.04543	1.2
254.02171	2.0
255.02974	26.1
256.03552	0.7
271.02463	54.1
272.03052	3.4
273.03995	1.0
283.02509	1.1
299.01907	1.1
300.02737	92.9
301.03467	34.8
302.03839	1.8
320.86041	0.5
334.14474	0.5
392.91327	0.5
513.61646	0.7
568.58551	0.6
609.14563	100.0
610.14856	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	608.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87271	1.4
52.23750	1.6
59.01381	33.3
61.98829	78.5
62.82015	1.4
63.96241	1.7
63.99258	1.7
69.03439	1.3
69.78005	6.8
71.01375	7.4
73.02927	1.6
78.95904	31.1
78.98592	3.7
79.95760	6.2
80.96518	34.3
80.96968	2.7
81.03426	1.6
85.02948	6.4
89.02473	3.8
94.98074	8.7
98.19970	3.6
101.02454	4.7
106.98067	2.0
116.92828	2.1
122.97562	4.0
122.98511	1.8
125.02412	3.1
125.09756	1.7
134.97583	2.4
148.99150	2.0
149.52510	2.0
152.98625	4.2
152.99619	5.4
163.11270	2.9
164.98640	6.5
165.12817	5.4
168.04324	4.1
171.10237	1.5
181.12361	3.6
192.80502	1.9
197.11829	3.3
211.13351	12.0
223.13448	1.7
224.06934	10.8
225.00725	10.2
242.07961	2.1
247.20683	4.9
291.19659	36.3
292.20026	2.4
295.29092	1.8
299.04373	2.3
305.21356	1.8
309.20682	24.7
310.20865	1.8
323.22281	3.1
397.13437	7.0
415.14590	4.1
463.21271	2.8
481.01361	1.6
488.32678	4.0
534.28375	100.0
535.29010	7.6
548.29932	8.8
583.24390	1.8
608.24896	8.2
609.25836	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.97470	0.1
67.40112	0.1
70.08787	0.1
71.61995	0.1
78.95918	0.2
80.96526	0.2
104.02647	0.1
120.06277	0.1
122.12492	0.1
186.29512	0.1
608.31897	0.2
609.26239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31074	0.1
56.90751	0.1
59.01389	0.1
61.98830	100.0
62.98559	0.1
64.40885	0.1
69.24643	0.8
69.25045	0.3
70.93053	0.1
71.01379	0.1
79.89527	0.1
79.95737	0.3
80.96513	1.4
87.00938	0.1
94.98087	0.3
98.20109	0.5
98.20721	0.2
122.97548	0.1
125.02518	0.2
148.99184	0.1
157.64789	0.2
164.98601	0.2
178.06189	0.1
197.12053	0.1
225.00793	0.4
292.30594	0.1
534.28101	0.2
576.93085	0.1
608.25635	0.2
609.25793	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	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71257	0.1
59.01382	0.5
61.98830	100.0
69.16418	1.3
69.64339	0.1
72.53089	0.1
78.95921	0.1
79.95740	0.1
80.96514	0.4
98.20297	0.7
101.13540	0.1
116.92864	0.2
133.61003	0.1
138.67485	0.1
159.44127	0.1
169.61028	0.1
203.25194	0.1
312.22531	0.1
354.58328	0.1
358.68399	0.1
608.24481	0.9
609.26129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38376	0.1
58.02871	0.1
59.01350	0.1
61.98831	100.0
70.52783	0.3
74.96803	0.1
80.96524	0.4
85.02982	0.2
85.82875	0.1
89.88077	0.1
94.98125	0.1
98.20664	0.1
108.46879	0.1
147.22476	0.1
176.45361	0.1
333.47720	0.1
371.02634	0.1
607.95453	0.1
609.25635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.6
59.01379	89.4
61.98827	14.4
69.84223	5.8
69.84628	4.1
71.01009	2.8
71.01377	30.5
73.02943	7.3
75.00889	1.9
83.01403	4.1
85.02953	21.8
87.00898	3.0
88.98842	2.6
89.02438	12.4
90.28383	1.8
95.01378	2.7
96.96007	9.5
97.02930	2.9
99.92584	7.3
101.02439	13.2
113.02442	19.2
116.92858	43.7
117.92926	2.7
120.17081	2.0
125.02405	3.2
126.90422	4.2
128.93443	1.9
135.04579	2.8
137.02313	2.2
152.91730	1.9
161.02342	2.4
191.01939	3.3
193.64343	2.4
201.14963	3.7
209.11823	4.2
238.79160	1.9
319.71869	2.1
359.27969	11.2
397.13416	2.4
503.32257	100.0
504.32425	8.1
521.33411	29.1
522.33240	4.0
545.33429	2.4
563.34485	11.0
595.48828	2.1
607.24384	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	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69702	1.4
57.03444	3.6
59.01382	81.6
61.98831	9.9
69.03443	1.3
69.71962	7.3
70.28640	1.4
71.01385	30.9
72.99289	1.4
73.02944	6.8
80.96510	1.7
83.01392	5.4
85.02950	22.9
87.00880	4.4
88.98801	2.8
89.02452	10.7
95.01385	4.3
97.02973	1.6
98.38814	1.7
99.00902	3.6
101.02453	15.0
111.00873	2.3
113.02453	17.1
116.92870	7.7
119.03481	2.7
125.02444	2.7
129.01935	2.0
143.03499	3.4
147.03130	1.6
161.04562	3.0
187.13425	2.1
191.01959	2.6
201.14903	3.3
209.11867	12.6
228.25026	1.5
269.01584	1.7
284.03168	7.5
299.05566	8.4
359.28104	9.1
397.13367	4.8
415.14526	3.2
430.94022	1.9
461.16769	2.2
467.79562	1.4
485.91385	1.9
503.32288	100.0
504.32596	9.2
521.33301	31.3
522.33917	3.4
545.32874	3.0
547.39044	4.5
563.34491	10.6
607.18604	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65422	1.5
51.73721	1.6
59.01378	100.0
60.52633	2.1
61.98826	28.3
70.78970	3.2
71.01379	14.0
73.02948	5.7
78.12106	1.6
78.95914	3.2
79.95728	3.9
80.96529	15.0
83.01402	4.0
85.02947	13.9
87.00848	1.7
94.98091	4.3
96.96019	15.0
99.00907	2.2
99.92591	4.0
101.02463	9.2
113.02470	5.9
115.92069	4.8
116.92855	10.7
125.02379	2.4
126.90500	7.3
134.73189	1.7
163.45433	1.6
164.98605	3.6
171.10306	3.1
185.77922	2.2
225.00838	5.2
359.28024	6.1
375.08618	1.8
395.65939	1.7
476.84924	1.9
487.33026	2.8
505.33383	2.5
547.31134	2.1
563.34308	94.7
564.34546	11.8
590.30133	2.1
607.24390	24.3
607.36816	6.9
608.24811	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	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93678	1.2
57.03440	3.2
59.01380	55.5
61.98838	2.2
64.44744	1.2
68.30566	1.4
68.77402	1.3
70.20758	1.2
71.01398	12.8
71.29314	2.1
73.02943	2.6
73.68574	1.3
81.03443	1.4
81.32407	1.4
83.01389	4.6
85.02940	7.6
87.00890	1.6
97.02952	1.3
97.85831	1.4
99.00909	1.6
101.02431	6.6
105.78835	1.3
111.00858	2.9
113.02428	5.1
123.08167	2.1
125.02435	1.5
132.93163	1.2
134.83282	1.2
141.12875	1.5
143.03522	2.6
160.62878	1.2
171.13957	1.9
187.13385	4.1
236.72655	1.2
325.17603	1.3
359.28000	11.0
377.67728	1.3
503.32266	100.0
504.32602	10.6
521.33337	30.5
522.33777	2.5
545.33295	1.4
563.34674	8.5
564.34985	2.1
610.00067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2792
Annotation	Cissampentine
Peak:m/z	Relative Intensity
56.76761	0.7
59.01373	1.2
61.98819	2.3
65.83043	0.6
66.13235	0.7
71.01385	5.2
73.02934	1.5
78.95866	0.7
78.98586	4.1
79.95742	8.3
80.96515	48.6
81.03436	1.1
85.02942	2.6
87.00890	3.2
94.98079	12.2
97.02983	1.5
101.02433	2.4
106.98068	2.8
112.90079	0.7
116.92783	1.0
122.97593	3.8
125.02441	2.7
134.97610	3.2
136.99091	1.2
148.99132	3.7
152.98608	5.1
152.99648	1.0
164.98645	8.2
182.99612	1.4
206.99706	2.3
225.00746	16.0
243.01741	1.6
299.04453	2.5
367.88266	0.7
523.18585	19.6
524.18518	1.8
607.27930	100.0
608.28339	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	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01374	4.7
59.20055	0.7
61.98821	1.8
71.01376	3.0
72.99285	0.8
73.02943	0.8
85.02957	5.4
88.98824	1.5
89.02421	1.6
96.96021	4.0
101.02442	1.1
108.02171	1.0
109.02946	12.5
113.02446	1.3
116.92884	0.9
119.03599	0.7
121.02982	0.9
122.65891	0.6
123.00830	0.9
123.04514	0.9
125.02454	1.3
126.90550	1.0
127.25024	0.8
129.01871	0.8
135.04492	0.9
159.04492	5.6
161.02380	0.7
161.04492	0.7
161.06247	0.7
173.06042	4.0
189.05544	4.3
190.06036	0.9
191.01945	1.4
191.07155	2.8
193.87265	0.6
201.05598	1.0
203.07143	2.2
205.12317	0.8
209.02997	1.1
237.30836	0.7
240.04315	1.2
241.05067	9.0
255.06622	6.7
267.06592	1.5
269.08228	0.8
281.08325	1.2
287.67157	0.8
295.09604	1.1
298.08582	0.8
299.09192	6.8
313.10855	8.9
314.11221	1.0
329.10315	4.9
343.11905	2.7
344.12628	32.9
345.12750	1.9
359.14996	100.0
360.15259	6.8
503.19318	4.1
521.20068	1.2
563.21155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00562	2.2
58.86712	1.8
59.01378	43.8
61.98819	6.4
65.46413	1.7
70.52580	3.9
70.52975	3.6
71.01376	21.8
72.99302	1.9
73.02944	6.5
75.00839	1.9
78.95921	2.3
83.01395	3.4
85.02959	18.9
87.00878	4.4
88.98807	3.5
89.02449	4.8
92.34656	1.8
96.96016	5.2
98.20567	2.7
99.00885	2.9
101.02485	10.5
101.03029	2.2
113.02467	6.7
113.74643	2.0
121.02966	7.1
126.90520	5.9
129.01959	3.0
135.85823	1.7
147.02991	2.0
159.04475	2.1
187.09680	2.4
191.01947	3.2
197.04514	4.5
198.04881	2.5
207.83389	1.7
260.90912	1.7
267.06729	2.0
268.07269	2.1
269.08237	6.2
281.08145	9.8
282.08826	4.6
283.09750	5.4
295.09692	3.6
299.09216	5.7
314.08215	2.5
314.11526	6.2
315.12244	3.8
326.11520	8.1
327.12354	5.8
329.13953	14.4
340.09656	2.4
341.13922	7.1
343.11575	2.6
355.11728	4.2
371.14828	1.9
458.15692	8.9
470.15872	3.8
473.18347	26.5
474.18488	2.6
476.16821	9.8
485.18088	27.3
488.16840	5.0
491.19305	35.7
492.19461	2.9
503.19254	38.3
503.32373	5.3
504.19672	2.9
533.20300	100.0
534.20557	7.7
545.20276	49.9
546.20642	5.8
570.19885	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	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01366	2.1
61.98821	1.4
62.47779	0.4
69.22245	0.4
70.52220	1.6
71.01367	1.2
72.99317	0.6
73.02925	0.6
75.00876	0.6
83.01332	0.5
85.02950	4.1
88.98808	0.9
89.02440	0.8
93.03444	0.6
96.95994	1.6
101.02399	0.8
103.00290	0.5
111.00868	0.7
117.03444	0.8
121.02932	3.6
122.03716	1.4
123.00848	1.3
123.04507	0.6
125.02460	2.8
126.90489	0.9
131.04945	0.5
135.04492	0.5
136.05298	0.6
137.02400	0.6
143.04982	0.8
145.02901	1.7
147.04532	1.6
149.02411	1.7
150.03206	5.7
151.03943	0.7
153.05542	0.5
156.92102	0.5
158.03656	2.3
159.04494	7.3
160.05292	24.2
161.02374	0.9
161.06075	6.4
162.03131	0.7
163.03987	5.1
164.04773	5.2
173.00932	0.6
173.06085	2.7
175.07628	22.5
176.04749	0.7
176.07912	1.2
177.05582	5.7
178.06354	6.6
184.77290	0.6
191.01964	1.3
192.08002	0.9
193.08618	2.5
209.02895	0.8
219.78883	0.5
284.03299	0.7
285.03955	0.6
287.05734	0.8
288.26071	0.7
298.25189	0.5
301.03558	1.0
314.11334	0.6
329.13919	100.0
330.14267	6.6
359.14868	6.0
447.09128	0.9
463.09354	0.6
607.12598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
60.99301	2.7
61.31821	0.4
61.85880	0.3
61.98832	100.0
70.75433	0.3
78.95919	0.8
79.95728	0.4
80.96525	2.5
88.98810	15.4
89.02471	1.3
92.92738	0.4
94.98095	0.6
109.92597	0.4
151.75972	0.4
159.17822	0.4
225.00745	0.6
229.56390	0.5
277.21420	0.4
362.39371	0.4
407.02570	0.4
409.29984	0.5
453.31079	0.5
487.21451	0.4
606.34387	0.5
607.27789	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	606.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81803	0.1
59.01376	0.2
60.99310	1.5
61.98830	100.0
73.49699	0.1
78.95922	0.6
79.95760	0.2
80.21564	0.1
80.82565	0.1
80.96531	0.8
88.00414	0.2
88.98805	8.4
89.02439	0.7
92.73662	0.1
94.98072	0.2
96.96973	0.1
100.45831	0.1
122.97593	0.2
140.01176	0.2
164.98643	0.2
225.00845	0.3
229.49301	0.2
255.09761	0.2
272.68243	0.1
277.21906	0.4
307.22827	0.3
308.23334	0.4
309.23315	0.2
345.24478	0.1
409.29562	1.7
420.77478	0.1
523.18988	0.2
606.33936	0.8
607.27893	2.1
607.35791	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	606.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98830	100.0
69.18993	2.1
78.95905	0.6
79.95755	0.4
80.96522	1.7
85.63889	0.2
98.19883	0.6
108.33247	0.3
108.49212	0.2
136.14630	0.3
164.98651	0.4
176.94884	0.3
225.00848	0.4
232.54465	0.3
250.36169	0.2
309.23367	0.3
345.24158	0.4
409.29596	7.4
409.34763	0.4
410.30267	0.4
523.18860	0.7
606.34326	0.8
607.27795	3.6
607.36310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.98830	100.0
67.62819	0.3
69.24864	1.5
69.25287	1.4
71.01390	0.8
75.17997	0.3
78.95900	1.6
79.95736	0.4
80.81175	0.3
80.96519	1.3
83.17288	0.3
88.98837	0.5
94.98096	0.4
99.92599	0.5
104.15961	0.3
107.37569	0.4
113.02430	0.5
116.92868	0.8
117.07484	0.4
118.69224	0.3
141.98659	0.3
152.99603	0.5
154.35635	0.3
188.05891	0.4
190.94272	0.4
193.12286	0.4
203.76083	0.3
204.48697	0.4
235.00224	0.3
247.53174	0.4
380.34085	0.4
487.32971	0.9
505.33881	0.4
607.24109	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	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74401	0.4
54.93834	0.4
59.01381	3.2
59.24469	0.4
61.98831	100.0
69.16563	2.8
69.16985	1.0
71.01394	0.7
78.95887	0.5
80.96536	1.4
85.02950	0.4
94.98089	0.5
98.19784	0.4
98.20280	2.2
99.75082	0.4
99.92637	0.4
116.92902	1.4
152.99594	0.5
199.06172	0.4
203.94781	0.4
389.92236	0.4
487.32956	1.1
505.33871	0.7
597.74164	0.5
606.17773	0.5
607.24646	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	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.8
61.98827	100.0
69.53548	6.6
69.53957	9.2
71.01376	4.6
85.02952	3.4
89.42389	2.2
96.95995	3.2
97.88183	2.1
101.02431	3.7
109.90781	2.6
115.92071	4.1
116.92850	8.5
117.21358	2.2
121.10201	2.6
171.10262	8.1
211.13370	23.1
253.09254	10.7
254.98233	2.2
291.19614	33.2
292.19904	3.1
309.20663	8.7
357.26285	3.0
515.61743	2.5
522.25604	2.3
527.28735	4.2
545.29034	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57220	1.8
56.42179	1.9
57.20196	1.9
58.81506	1.7
60.24911	2.0
60.99304	17.4
61.98822	2.3
62.78871	1.8
69.47614	10.5
69.48040	3.3
78.95896	2.4
88.98805	100.0
89.02429	19.7
98.19916	3.0
119.99150	1.9
291.72781	2.0
470.07986	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69478	1.5
55.93925	1.8
59.01076	2.1
59.01381	55.5
61.98830	100.0
69.60651	6.2
69.61068	3.4
71.01373	6.2
72.99312	1.6
73.02935	2.0
83.01393	2.8
83.82597	1.5
85.02959	5.5
87.00905	1.8
87.62401	1.7
88.98783	2.1
89.02435	3.3
96.95989	3.3
101.02435	6.2
113.02460	2.6
115.92109	1.8
116.92865	4.3
125.09751	2.9
126.90505	2.3
146.19032	1.5
147.37895	1.5
158.04027	1.6
161.04448	1.9
187.09758	4.1
191.01962	3.8
211.13390	5.8
231.79015	1.5
253.09204	6.1
270.01682	2.5
291.19629	7.1
309.20535	4.9
437.52396	1.6
501.30634	7.9
519.32147	3.2
527.28412	2.1
545.28815	2.4
561.32764	48.9
562.33118	2.3
605.18579	2.8
605.31299	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10644	5.1
59.01378	28.1
61.98834	95.5
68.99810	8.8
70.77944	14.5
71.01370	10.6
78.55254	5.0
80.96515	6.8
85.02942	9.3
88.98807	5.1
89.02457	5.6
90.92564	5.0
99.00877	7.9
101.02425	9.3
112.37258	4.5
115.92036	5.2
116.92880	8.4
195.34822	4.9
201.12511	5.2
211.13393	13.6
247.20613	8.4
253.09244	17.0
274.21924	4.8
291.19620	37.4
309.20697	100.0
505.33853	12.1
545.29718	39.5
562.30286	5.3
605.22589	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	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.9
61.98830	100.0
71.01376	4.2
75.84026	2.9
85.27116	2.7
86.95313	2.8
89.02435	3.7
96.96049	3.5
98.20264	18.6
101.02422	5.9
103.98563	2.9
113.02447	4.5
116.92877	6.4
153.12862	4.7
160.12363	2.9
253.09244	10.9
291.19614	28.5
309.20673	94.0
310.20929	5.1
330.51837	2.8
388.76529	3.0
545.29852	33.7
547.28168	3.2
566.59662	3.2
605.19806	5.0
625.64978	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	29.9
59.36420	1.8
61.98832	34.9
70.42592	5.6
71.01382	12.4
73.02984	2.3
78.95909	2.7
79.95730	3.4
80.96515	22.2
85.02936	6.7
87.00891	3.3
89.02445	8.8
94.98076	4.1
96.95998	4.1
101.02433	9.0
111.08166	14.5
113.02435	4.3
116.92863	9.4
122.97520	2.0
130.19304	1.7
131.03548	1.7
152.98607	2.1
161.04485	3.1
164.98628	4.3
169.12320	6.9
197.11819	68.0
198.12054	2.2
199.13423	3.3
209.11790	1.8
211.13359	11.8
214.73790	1.8
225.00761	7.1
250.44183	2.4
253.09264	42.9
277.46890	1.8
291.19650	23.3
309.20703	100.0
310.21069	7.5
450.69412	1.7
545.29541	5.1
605.22571	32.2
605.32202	2.4
606.22998	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
55.54734	1.3
57.03453	12.4
71.01385	3.8
72.99299	3.7
77.44592	1.4
79.18371	1.3
83.01394	1.7
84.02143	1.5
85.02953	100.0
89.94768	1.3
98.20071	6.3
98.20763	2.4
105.01935	13.1
117.03453	6.8
119.05052	7.5
129.01947	8.3
133.02882	1.4
145.01904	2.4
145.02959	31.4
147.03009	44.8
161.02431	5.5
163.04010	11.1
173.00885	4.5
191.01933	5.4
199.43875	1.3
251.40125	1.3
267.04980	4.6
268.67551	1.3
293.06665	30.4
294.07175	1.9
337.05649	26.5
441.89713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48412	0.2
55.01909	0.2
57.03440	0.4
59.01371	0.7
61.98826	0.8
63.02391	0.2
65.00330	0.3
68.99845	0.2
70.99694	0.2
71.01390	0.7
71.52274	0.2
72.00893	0.4
72.99334	0.2
78.01098	0.3
78.95854	0.2
83.01391	0.5
84.35107	0.2
85.02943	2.9
89.00330	1.6
89.02443	0.2
91.01897	1.0
92.44669	0.2
96.96010	1.3
100.00402	2.0
101.02474	0.4
106.00616	1.8
111.00892	0.7
116.92848	0.4
121.02959	31.5
122.03289	0.6
123.00877	1.0
126.90500	0.7
127.00349	0.9
129.01967	0.4
133.03911	0.6
136.98808	0.8
137.02402	0.3
138.03223	1.8
139.00380	0.7
141.90309	0.2
144.03038	1.5
147.03024	0.4
148.06287	5.0
153.05580	25.7
154.05919	0.6
154.99883	0.5
163.04120	0.3
165.01930	0.2
166.99876	0.4
182.02232	1.8
191.01984	1.4
197.04546	100.0
198.04887	2.8
224.18568	0.2
231.09929	0.8
238.81636	0.2
324.07275	5.8
334.01178	0.2
495.30154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
59.01380	16.7
70.26370	2.3
71.01382	3.4
72.66578	0.5
73.02947	1.1
74.17387	0.5
85.02957	1.9
87.00888	1.3
89.02441	2.4
93.61294	0.7
95.05008	1.0
99.71574	0.6
101.02424	3.9
113.02451	2.0
119.03490	1.0
125.80053	0.5
161.04535	1.8
177.12840	2.1
179.05617	0.6
179.14365	5.0
195.13853	1.0
205.12335	1.4
205.15930	3.1
207.17607	0.5
212.83435	0.5
223.13380	4.7
231.21149	2.5
235.08240	1.0
253.09268	20.2
254.09895	0.6
257.19241	0.8
275.20151	30.8
276.20496	2.3
307.22775	100.0
308.23090	5.1
367.45255	0.6
516.48395	0.5
533.48920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92739	0.8
59.01380	21.9
61.98839	1.2
67.03581	0.9
70.36399	2.7
71.01380	4.8
73.02947	1.2
78.95919	1.0
85.02941	2.5
89.02438	4.1
93.74215	0.9
101.02430	3.7
113.02399	1.5
120.97716	0.9
139.89558	0.8
161.04515	3.7
166.17584	1.0
177.16522	1.2
216.22340	0.9
217.80267	0.9
231.21036	4.4
235.08154	2.5
253.09296	22.8
275.20151	100.0
276.20471	4.9
307.22778	42.5
308.23117	2.3
365.11288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01381	21.3
59.46456	0.6
61.98817	0.7
71.01376	5.0
71.40845	1.1
73.02948	0.9
83.01401	0.7
83.45979	0.6
85.02937	3.2
89.02429	3.6
101.02455	4.2
111.08154	0.7
113.02462	1.8
152.57870	0.6
161.04555	2.1
162.80203	0.7
166.38429	0.6
169.65744	0.7
173.59660	0.7
177.12810	1.4
179.14375	4.1
189.62013	0.7
195.13870	1.0
205.15955	3.1
223.13345	4.5
231.21185	2.3
235.08234	1.4
253.09277	21.8
254.09740	1.1
275.20151	29.3
276.20575	1.6
307.22778	100.0
308.23108	5.8
363.86728	0.7
403.89899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.0
59.01378	30.6
61.98831	20.2
64.96040	2.4
71.01373	15.1
71.45705	2.3
71.52834	3.1
72.99314	3.2
75.07924	2.5
85.02950	27.6
87.00903	3.7
89.02441	8.1
89.19335	2.8
97.06588	8.8
99.16727	2.5
99.92614	4.1
101.02439	7.2
111.08085	2.9
113.02417	5.7
116.92845	20.9
117.92842	6.4
119.05041	3.2
123.04514	2.8
126.81345	3.6
127.29253	2.4
129.01923	3.5
134.89465	3.3
147.03003	5.5
147.83775	2.8
149.09793	3.4
151.11243	7.1
152.25200	3.0
161.04576	4.7
163.03932	2.8
163.11305	6.7
165.12813	9.8
181.12325	8.6
185.11790	5.0
186.75949	2.8
191.01929	4.7
191.10703	4.8
191.14388	5.3
202.35310	2.6
209.02930	3.1
209.11801	25.8
227.12932	6.4
245.19139	14.0
253.09291	32.0
263.20261	15.6
289.18103	57.8
290.18610	3.6
307.19141	100.0
308.19400	6.1
445.20844	22.8
525.26660	3.9
543.28174	24.2
554.49243	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	17.4
70.10451	3.5
73.50070	0.8
87.00883	0.9
88.00410	3.2
88.98807	100.0
89.02443	29.3
164.78850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20129	1.8
57.03445	4.6
59.01378	47.6
61.98826	13.0
69.16235	16.4
70.16439	1.6
71.01385	16.0
73.02947	2.6
75.00870	4.8
79.51386	1.7
81.03458	2.3
83.01393	1.6
85.02948	11.8
87.00883	3.1
89.02438	11.3
90.82572	2.1
95.05018	2.7
97.06615	10.2
101.02445	11.3
109.06548	2.0
109.17919	1.7
111.08166	3.8
113.02455	4.5
116.92842	2.2
119.03493	2.8
122.64703	1.7
123.04498	2.3
123.08160	2.2
125.02411	1.8
125.09698	3.1
128.03539	1.6
137.09769	2.4
151.11278	9.4
155.10730	3.0
161.04535	4.5
161.09573	2.0
163.11234	2.7
164.99358	1.9
165.12886	13.1
169.12328	1.8
179.10814	3.6
181.12389	13.4
191.10780	6.1
191.14429	3.8
209.11835	48.5
211.13437	2.9
227.12828	11.9
245.19086	12.9
253.09265	38.1
263.20096	23.9
271.17081	2.5
279.19687	1.9
289.15054	3.2
289.18082	30.2
307.19150	100.0
308.19391	5.6
310.49622	1.6
354.40051	1.6
426.36469	1.7
445.20834	24.4
460.20090	2.8
543.28174	20.3
614.68384	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.2
61.98827	19.8
68.34107	2.5
71.01367	8.3
82.99755	2.3
85.02930	4.9
89.02422	6.5
90.74117	2.1
96.95998	4.7
98.20744	4.4
99.92578	3.7
101.02439	7.6
108.90883	2.4
109.06586	4.4
113.02441	2.7
115.92041	2.7
116.92851	13.6
119.03512	2.2
126.90488	6.6
129.68419	2.5
163.11342	3.1
185.11726	4.4
191.14388	2.7
199.77164	2.5
205.11057	2.3
245.19077	8.8
253.09215	22.4
289.18106	100.0
290.18417	7.8
307.19186	28.0
336.98267	2.6
344.11639	2.5
352.63492	2.4
525.27271	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.9
60.99307	15.4
70.10323	1.6
70.10670	3.0
81.65524	0.8
88.00394	3.2
88.98805	100.0
89.02444	30.1
94.02357	0.8
98.20575	1.2
104.94116	0.8
154.36557	0.8
284.55157	1.0
307.72836	0.9
327.59683	0.9
376.32681	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77298	1.3
57.03434	5.2
59.01357	3.6
64.11810	1.3
69.59793	6.1
69.60203	3.1
71.01368	4.5
75.00865	1.7
82.02979	1.9
85.02948	44.6
93.03852	1.3
94.83852	1.3
96.04559	9.0
103.92915	1.2
104.21813	1.2
108.04548	9.2
111.00874	3.0
114.00196	25.0
114.62768	1.4
129.01956	3.2
132.71490	1.5
133.01476	2.7
135.04443	2.1
142.03320	32.9
147.02963	2.6
186.02274	12.2
191.01956	22.2
209.03015	100.0
210.03404	2.3
223.79483	1.3
230.01257	74.6
231.01523	1.3
371.06094	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	601.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.5
61.98832	9.7
71.01384	9.4
71.05015	13.3
71.52232	3.3
85.02945	6.3
86.30458	2.0
89.02456	10.3
95.05013	7.3
96.96064	2.8
99.92643	2.5
101.02455	10.7
109.06593	10.6
109.37685	2.6
113.02420	4.9
116.92862	9.1
121.06553	3.1
125.36554	2.4
134.81619	2.5
140.75914	2.6
155.56364	2.2
161.04602	2.3
164.01297	2.2
165.09250	6.6
189.12852	6.8
200.21407	2.5
214.00604	2.0
215.70190	2.4
216.56052	2.4
216.71878	2.4
231.51561	2.7
233.11832	3.6
243.17464	6.9
249.14812	4.1
253.09283	26.3
266.85602	2.3
287.16492	49.9
305.17590	100.0
306.17865	6.8
541.26813	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	601.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91412	2.1
59.01381	17.5
61.98822	8.2
63.78293	2.2
65.47039	2.4
69.56462	15.5
71.01367	5.7
71.05026	14.4
80.06404	2.1
85.02937	5.2
89.02435	6.1
95.05005	7.3
95.73867	2.1
101.02435	6.2
109.06586	5.6
111.04546	3.2
113.02538	2.3
116.92841	3.6
137.95467	2.5
138.83139	2.3
139.04021	2.9
151.60620	2.1
161.04616	2.1
165.09177	5.9
171.10190	2.6
188.95329	2.2
189.12825	7.6
205.15979	2.9
211.13513	3.4
233.11734	3.9
243.17581	3.3
249.14986	5.4
253.09328	19.1
287.16495	45.2
288.16873	3.4
305.17587	100.0
306.17847	5.1
464.63705	2.5
541.26410	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85077	0.8
57.03447	4.5
59.01369	3.4
71.01376	7.4
72.99286	1.3
75.00875	1.5
78.95931	1.0
81.03448	2.4
83.00143	0.8
83.01382	1.2
84.02113	1.2
85.02947	50.7
87.00825	1.1
89.02438	2.7
96.96953	2.0
101.02435	1.1
103.00354	1.1
103.22727	0.8
111.00876	2.8
129.01952	5.1
133.01428	3.3
135.04527	1.2
144.60312	1.0
147.02963	3.2
154.14902	0.8
161.14734	0.8
173.00871	2.4
191.00256	1.3
191.01978	23.8
209.03023	100.0
210.03362	2.4
231.04149	1.0
344.89682	0.8
364.42877	0.9
371.06165	7.1
385.12091	0.8
475.15488	0.9
516.61804	0.9
563.26318	0.9
617.99066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
59.83076	0.1
61.98829	100.0
71.01375	0.3
71.53048	0.2
82.07950	0.1
83.68992	0.1
85.02954	0.6
89.02439	0.2
94.97651	0.1
96.96029	0.2
101.02471	0.1
116.92867	0.2
128.03532	0.2
129.01987	0.1
191.01985	0.1
209.03087	0.2
216.93100	0.1
246.81149	0.1
267.65448	0.1
305.22000	0.1
427.43832	0.1
459.75769	0.1
522.21448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	10.7
59.01373	2.3
61.98837	7.0
74.02468	22.3
81.04572	1.8
82.02985	3.5
86.02472	10.2
86.05611	1.3
86.06099	2.7
86.99109	1.8
87.05630	4.7
97.04078	2.2
99.05645	19.1
101.07204	3.9
102.05608	4.5
107.06166	1.4
109.04045	3.5
109.56260	1.3
111.05581	1.4
112.04008	2.4
116.92892	1.8
122.49542	1.3
123.05683	2.0
124.07671	1.3
125.03543	3.4
127.05108	3.0
128.03540	63.0
135.05643	6.8
137.07249	1.6
141.06700	3.0
143.04620	82.1
144.04999	1.7
144.06151	2.6
144.22366	1.3
145.06212	3.4
146.04585	8.4
152.49026	1.5
153.06685	5.0
166.09776	3.2
167.04613	4.0
167.08208	3.9
170.03358	2.8
171.04135	1.8
179.04625	18.8
181.06061	2.2
185.05661	2.1
197.05658	2.9
210.08832	18.7
254.07813	46.9
254.84012	1.4
258.13153	1.8
272.08868	100.0
273.09082	2.7
287.46567	1.3
293.21198	3.3
304.06012	1.6
327.19785	7.4
367.48618	1.5
471.25436	5.0
582.28424	6.1
600.29590	50.6
601.29865	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	599.284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98827	3.8
69.17093	2.6
69.88703	0.2
81.90060	0.3
85.02974	0.4
89.03960	0.5
91.05550	0.8
91.25067	0.2
92.92127	0.2
93.03474	0.5
107.05045	1.9
108.05359	0.6
113.02431	0.2
116.92829	0.4
117.03466	3.3
118.03819	1.0
119.05025	41.3
120.05363	12.3
121.05638	0.3
133.02965	0.8
134.03758	3.2
135.04526	100.0
136.04849	30.3
137.05013	0.6
145.02950	16.0
146.03305	4.6
150.03177	0.5
161.02438	2.0
162.02783	0.5
165.05554	0.3
171.10301	0.7
189.74652	0.2
253.09283	2.0
257.13107	0.3
273.16046	0.5
274.16391	0.6
289.15594	1.4
290.15906	0.6
290.18842	0.3
291.19254	0.3
299.14014	0.7
300.14383	0.7
306.18246	1.2
307.18533	1.3
316.16672	2.7
317.16974	2.9
327.21729	3.9
332.16125	5.9
333.16473	5.4
342.14554	5.8
343.14856	7.4
344.14999	0.3
365.71707	0.3
420.20224	0.3
452.22015	2.4
453.22214	5.8
454.22711	0.4
462.20303	5.4
463.20648	17.6
464.21024	0.9
476.86639	0.3
478.19958	2.2
479.20132	7.2
479.26480	0.6
480.20380	0.4
563.30603	2.1
598.25775	0.5
599.25909	80.1
600.26135	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	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
58.02976	10.8
59.01409	0.4
61.95417	0.5
61.98814	1.6
66.03484	1.6
66.81778	0.4
69.84940	2.1
70.02970	0.7
71.01365	0.6
72.00909	1.5
72.97532	1.9
74.00686	0.6
74.02475	21.2
81.04592	1.4
82.02996	3.2
84.04573	1.0
85.04092	0.5
86.02477	10.3
86.06107	1.2
87.05621	4.1
88.04036	0.7
95.02516	1.2
97.04076	3.0
98.20116	1.0
99.05643	19.5
100.00409	1.8
101.07203	3.8
102.05623	4.1
107.06173	1.3
108.04527	0.5
109.04076	4.6
109.07729	1.2
111.05636	1.9
112.04047	1.6
113.03564	1.2
113.04301	0.9
113.07234	0.8
117.42049	0.5
121.04103	0.5
123.05640	2.0
124.04052	1.2
124.07700	0.5
125.03519	2.7
126.04375	0.6
127.05141	2.7
128.03540	59.8
129.03894	0.7
135.04636	0.9
135.05623	7.3
137.07228	1.3
139.05151	0.5
141.06674	2.9
143.04620	74.1
144.04961	1.3
145.02881	0.5
145.06165	3.1
145.35736	0.5
146.04582	7.5
149.07233	1.1
151.05159	0.8
152.40378	0.5
153.06665	3.9
154.81894	0.4
155.08255	1.1
160.00780	0.4
164.08360	0.7
165.12804	0.7
166.09816	3.7
167.04564	3.4
167.08247	3.9
169.06189	1.0
170.03307	1.5
171.04097	1.1
175.01688	0.6
179.04614	17.4
180.04793	0.5
181.06201	1.5
184.10876	0.8
185.05714	2.0
192.07794	2.0
197.05727	2.8
208.37206	0.5
210.08830	15.9
223.13272	0.7
228.09917	1.5
254.07814	43.7
255.08133	1.0
256.11398	1.8
272.08871	100.0
273.09247	3.2
286.05176	0.5
291.19598	2.5
304.06168	0.9
307.00681	0.5
325.18356	5.0
469.23712	4.4
470.23734	0.7
524.24341	0.5
563.81122	0.5
580.27039	5.6
598.28003	44.0
599.28595	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.2
71.51569	1.1
76.19144	0.9
78.95902	61.3
91.87462	0.9
92.51811	1.0
96.96961	12.1
102.33527	0.9
103.25302	1.0
107.70449	1.0
152.99576	46.8
223.00191	1.4
241.01160	25.3
259.02234	1.3
261.22202	1.2
279.23285	57.4
280.23685	2.4
315.04837	8.8
383.52695	1.0
400.23529	1.0
404.07669	1.1
415.22827	5.9
595.28870	100.0
596.29028	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
61.98810	0.5
62.96401	0.6
69.98882	2.2
76.71159	0.5
78.95903	64.3
96.96958	11.4
150.98061	0.6
152.99583	93.4
153.99916	0.8
171.00653	2.4
200.32135	0.4
223.00128	9.7
241.01176	23.5
242.01405	0.7
259.02200	1.4
279.23285	65.5
280.23633	3.5
315.04861	12.0
315.08463	0.9
316.05298	0.5
333.05783	1.5
340.86530	0.5
595.28882	100.0
596.29181	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	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50482	2.8
59.01381	10.0
61.98831	100.0
67.42326	2.6
69.56896	7.8
69.57307	12.7
71.01379	4.0
80.96508	9.0
84.41106	3.1
85.02946	7.2
89.02397	3.1
103.71262	2.6
103.79390	2.7
105.94691	2.9
116.92857	3.3
121.02891	3.0
158.13266	3.0
177.95753	3.0
210.98975	3.0
249.76563	2.8
295.22379	3.1
323.22272	5.3
487.26401	3.2
595.28058	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90807	0.2
58.02967	0.4
59.01389	1.1
61.98532	0.4
61.98829	4.7
70.44050	0.8
71.01385	1.2
73.02967	0.4
75.00867	0.6
78.95921	0.2
81.03456	10.1
83.05025	34.9
84.05351	0.4
85.02962	1.7
88.98810	0.5
89.02465	0.4
93.28031	0.2
96.95992	1.4
100.07684	4.3
101.02430	0.3
113.02480	0.3
116.92861	2.2
119.04975	0.3
119.33356	0.2
121.02931	0.2
125.25222	0.2
126.05624	0.8
127.04034	0.4
129.01927	0.4
133.47986	0.2
166.60416	0.3
191.01965	0.3
199.13364	1.0
199.18149	6.1
200.18498	0.3
207.15018	0.4
209.03090	0.4
213.63078	0.3
224.17676	0.7
225.16077	8.2
234.72551	0.2
243.17114	15.6
244.17462	0.8
265.22751	0.3
269.15079	1.3
283.02512	0.2
309.21805	1.0
335.19882	0.2
353.20770	7.1
353.25104	0.5
354.21085	0.5
366.68558	0.3
397.13623	0.3
451.32877	2.5
452.32208	0.3
469.33920	13.2
470.34186	1.4
553.39508	0.3
579.37488	3.2
580.37677	0.3
597.38672	100.0
598.38989	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	595.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54002	5.6
57.55024	6.6
59.01359	35.7
61.98822	49.4
69.46105	40.2
71.01383	19.3
73.36935	6.6
85.02943	15.3
86.06210	5.3
88.96176	6.6
89.02462	8.2
96.96023	7.6
98.20049	15.5
98.20633	12.1
101.02437	13.4
107.77621	6.0
109.06562	7.0
113.02448	12.4
116.92825	7.4
126.90499	24.6
161.04514	9.9
209.02956	6.0
209.11809	12.2
213.97658	6.2
247.13568	6.2
253.09192	30.5
261.45840	6.1
287.16541	55.3
289.18210	15.0
305.17606	100.0
404.71469	7.7
541.26038	14.2
595.25122	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	595.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80192	3.3
59.01377	20.2
61.98833	30.2
65.31236	3.6
68.18734	3.4
71.01372	13.9
71.05030	4.2
71.52763	3.6
74.61423	3.8
75.00877	4.8
80.48220	3.7
80.90406	3.3
83.01379	4.8
85.02956	25.2
87.00876	4.0
89.02431	11.5
95.05024	7.4
99.92596	3.8
101.02441	10.7
109.06597	6.5
113.02417	6.4
114.04465	3.5
116.92876	12.9
119.03481	4.6
126.90501	8.8
129.01944	4.3
145.41490	3.7
147.02942	4.7
161.04539	6.4
189.12877	5.3
191.01886	4.2
195.13898	6.4
199.13380	4.7
200.13756	5.1
204.14207	4.0
207.76865	3.5
209.02983	14.6
233.11827	4.1
237.15076	6.9
243.17554	5.4
247.13417	8.0
253.09314	34.1
287.16537	71.2
289.18100	10.3
305.17523	100.0
541.26642	4.9
542.26978	8.1
559.27679	4.4
575.50220	3.4
587.65265	4.4
595.24176	6.5
595.32007	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	595.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68615	0.8
52.63556	0.8
54.03231	1.1
55.01876	1.8
57.03169	0.9
57.03448	16.5
59.01379	5.0
61.98816	1.8
63.26021	0.8
67.76945	0.8
71.01368	3.8
71.52113	1.0
72.99314	1.7
73.02941	0.9
78.91884	0.9
83.01393	6.4
84.02165	1.6
85.02949	100.0
86.03297	1.0
87.00847	1.6
88.98789	1.2
89.02435	1.3
96.95979	2.3
101.02463	2.0
103.00359	2.5
107.01421	1.4
108.02177	1.8
109.02924	2.0
111.00885	12.7
113.02457	1.6
115.00308	1.0
121.02958	14.8
123.00910	2.0
125.02442	1.0
129.01941	43.2
135.04474	1.2
138.03323	0.8
139.00325	1.9
140.03471	0.9
145.01398	0.9
147.03001	12.9
147.04204	1.3
149.02440	11.3
151.00365	5.7
153.05603	6.5
159.04503	0.8
164.04807	8.4
173.00906	12.4
174.03262	0.8
178.99825	2.9
182.02162	2.6
190.02744	1.7
191.01965	15.6
193.01405	1.2
196.03899	1.0
197.04538	15.3
205.05093	1.7
208.03712	2.0
209.02911	2.6
209.04599	1.7
223.06070	11.8
226.02805	1.5
227.03491	1.5
231.10168	1.0
243.02943	8.6
254.02202	1.3
255.02951	19.5
256.03323	1.2
257.04498	1.2
265.07129	4.1
271.02472	44.8
272.02939	2.1
283.02435	1.4
291.08752	2.5
291.12238	1.1
299.02097	1.4
300.02731	84.2
301.03488	14.4
307.88550	0.9
309.25983	0.8
327.07208	6.5
353.08743	1.4
371.06174	2.8
389.07129	2.3
389.71960	0.9
397.07855	1.7
415.08713	1.1
433.07742	1.8
463.08783	2.0
539.33160	1.0
595.12976	63.8
596.12964	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01381	100.0
61.98831	13.3
69.15572	16.6
71.01386	18.6
73.02941	4.7
75.96929	1.5
78.95903	5.8
83.01380	3.9
85.02945	15.2
89.02438	5.4
95.01391	3.0
96.95993	4.3
98.19840	3.8
98.20518	7.5
99.00878	2.5
101.02415	8.4
104.04191	1.5
113.02445	8.0
115.92046	2.6
116.92863	5.2
125.03336	1.5
129.01904	1.6
130.10370	1.8
131.03482	1.8
143.03487	4.4
149.04568	1.8
161.04517	1.9
199.29250	1.7
258.20517	1.8
263.27542	1.6
289.59460	1.6
295.36996	2.2
299.25946	2.7
308.64804	2.1
345.30173	3.3
352.94345	1.6
357.22864	2.6
489.34351	59.1
490.34775	5.4
507.35410	21.7
508.35535	3.2
533.30115	2.0
549.36212	5.3
551.30939	2.4
594.30774	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98824	19.4
65.00945	2.1
69.31092	19.1
71.01378	16.9
73.02941	4.3
78.95894	8.1
83.01380	8.8
85.02937	13.0
87.00875	3.3
89.02457	7.1
98.20267	10.7
101.02430	12.2
113.02430	8.2
116.92860	3.4
119.79105	2.3
125.09715	7.3
126.90501	5.3
171.00632	2.6
171.10466	2.4
182.97285	2.4
184.61765	2.7
191.10823	5.2
203.91228	2.5
209.11778	4.1
223.13306	2.5
226.12134	4.4
232.02176	2.3
234.90971	2.2
241.14449	46.4
253.09225	11.3
299.25903	4.4
321.20547	3.9
345.30063	7.9
432.49670	2.4
489.34341	65.3
490.34711	7.0
507.35278	23.1
508.35602	4.1
549.36353	6.2
594.30243	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	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03438	4.0
57.60651	1.2
59.01380	100.0
61.98831	15.1
71.01385	14.8
71.09105	3.5
73.02934	6.1
78.95901	2.1
83.01392	5.6
83.04983	1.4
85.02954	10.0
87.00848	2.1
89.02435	3.4
96.96015	1.6
99.00891	2.8
101.02444	13.3
113.02435	7.9
119.08672	2.2
125.02416	1.5
125.09767	3.7
143.03523	1.6
144.65022	1.5
161.04619	2.4
171.10278	5.8
180.32433	1.4
209.11769	3.3
241.14455	19.0
253.09245	9.0
281.43347	1.4
284.03162	2.1
285.03989	7.6
289.18054	9.7
299.25723	2.2
321.20639	4.9
323.22119	3.0
345.30154	5.6
357.22495	1.7
462.60934	1.4
489.34344	61.0
490.34778	3.8
507.35312	23.3
508.35916	1.5
549.36304	5.7
593.15271	4.5
593.24384	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	593.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01377	17.3
61.98823	7.1
64.04559	0.6
69.89294	3.6
71.01387	9.8
73.02940	0.9
78.95892	1.6
81.03469	2.9
83.01392	9.4
83.05024	1.2
84.02168	2.6
85.02971	5.7
87.00872	1.9
88.10186	0.7
88.98811	1.7
89.02447	7.0
95.01355	0.7
96.96007	1.7
97.02947	1.1
97.06609	1.7
98.19938	0.9
99.00890	0.9
101.02441	7.9
113.02444	3.4
116.92846	2.7
119.03505	1.8
123.04466	0.8
125.08830	1.2
125.09718	15.4
126.90540	0.8
135.08110	1.4
137.09714	0.8
143.03493	0.9
147.11815	0.9
149.78629	0.8
161.04509	3.4
161.83559	0.9
163.11287	3.5
165.12843	2.0
167.90828	0.9
168.72585	0.8
181.12363	1.2
185.11809	1.6
191.02017	1.2
191.10774	9.2
197.11839	1.2
201.11388	0.8
207.10103	1.0
209.11829	13.2
210.12401	1.0
211.13341	1.6
223.13383	4.7
226.12148	9.7
239.12904	3.2
241.14441	100.0
242.14812	5.4
253.09273	23.5
289.17996	3.9
321.20734	10.7
339.21725	1.1
357.22736	1.2
373.46054	0.8
466.01477	0.8
487.63309	0.7
489.34399	3.3
507.35510	1.4
593.29950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01381	52.6
61.98832	13.6
69.03461	1.7
70.79330	3.0
71.01385	16.1
73.02934	3.5
78.95894	1.6
79.94196	1.1
79.95737	1.3
81.03453	3.5
83.01381	11.3
83.05024	1.5
84.02155	2.0
85.02956	10.3
87.00883	2.3
88.98804	2.0
89.02454	8.3
96.96000	6.8
97.02944	2.0
99.00861	1.5
101.02437	13.6
113.02458	8.5
116.92843	3.3
119.03483	2.9
125.09715	14.1
126.90552	6.2
137.09717	1.3
142.76642	1.2
161.04559	4.1
163.11285	3.0
165.12823	2.3
167.10735	1.2
185.11830	2.1
191.01942	1.6
191.10768	11.0
192.11011	1.4
194.97839	1.3
197.11761	2.1
207.10287	1.2
209.11810	19.1
211.13455	3.1
223.13499	3.2
226.12094	9.5
229.36333	1.3
239.12766	2.7
241.14441	100.0
242.14772	4.2
253.09308	25.2
257.44803	1.3
289.18030	4.0
299.26147	1.4
321.20676	9.2
326.20868	1.2
333.74454	1.7
365.05081	1.4
434.65891	1.8
489.34256	22.2
490.34619	1.8
493.27365	1.5
507.35330	8.4
549.36267	2.9
593.26215	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	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98808	1.3
65.83333	0.8
73.85803	0.7
78.95903	72.0
80.96511	0.9
93.85841	0.9
96.96953	13.7
98.20459	6.0
135.11964	0.8
144.70631	0.8
146.01665	0.9
150.98004	1.5
152.99580	53.3
209.71413	0.9
223.00052	2.3
241.01151	29.3
277.21716	49.8
278.22037	2.7
315.04895	6.6
386.20020	1.1
391.49112	0.9
413.20895	4.2
475.04593	0.9
508.55392	1.0
593.27301	100.0
594.27496	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
61.98825	0.5
62.96392	0.6
70.26394	1.7
75.00882	0.4
78.95901	70.4
89.43002	0.4
96.96961	11.9
121.03036	0.5
150.98021	1.3
152.99579	95.8
153.99933	0.8
171.00633	2.5
223.00085	10.3
241.01169	26.3
242.01494	0.7
259.02216	1.5
277.21707	50.8
278.22113	1.8
315.04861	14.8
333.06003	0.9
381.32858	0.5
593.27277	100.0
594.27557	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	593.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09458	0.5
59.01366	1.8
61.98829	46.7
62.98521	0.7
63.96245	0.9
64.56791	0.5
70.52908	1.4
71.01373	4.9
72.99300	0.6
73.02936	1.2
73.56335	0.5
78.98595	4.3
79.95737	27.5
80.96516	41.8
81.03454	0.7
81.96498	0.5
85.02946	2.3
87.00873	1.3
89.22664	0.5
94.98083	9.9
96.95993	1.1
97.02959	1.2
98.20181	0.8
101.02430	1.6
106.98099	2.4
121.02955	4.7
122.97565	2.5
125.02435	2.0
134.97566	3.6
136.99168	1.2
141.57858	0.5
143.08751	0.4
148.99126	4.2
152.98595	4.0
161.04597	0.8
164.98619	7.5
165.01894	3.6
172.61102	0.6
179.00226	0.5
206.99684	2.6
225.00731	13.3
241.00206	2.0
243.01848	0.5
262.65961	0.6
288.80292	0.6
299.04507	2.7
315.03983	1.2
341.05313	0.9
349.22693	0.5
371.06506	2.5
385.07935	0.8
399.09534	1.9
413.11047	1.4
441.14175	0.8
455.15634	2.1
481.17407	0.9
495.18954	2.0
523.18445	0.9
524.19366	0.6
593.26324	100.0
594.26678	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	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71148	0.1
59.01378	0.3
61.98829	100.0
62.98522	0.1
70.03898	0.1
71.51685	0.2
80.96519	0.4
113.94650	0.1
114.08997	0.1
161.18590	0.1
293.21347	0.2
395.28210	0.4
521.63483	0.1
586.37567	0.1
592.24768	0.3
592.33179	0.2
593.26428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2634
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03449	0.3
59.01371	1.3
61.98833	4.9
63.96243	0.7
69.03463	0.6
71.01379	4.9
71.51791	0.5
73.02940	1.3
78.98589	4.6
79.95735	28.4
80.96515	44.8
81.03453	0.8
83.01377	0.4
85.02932	1.9
87.00877	1.3
94.98084	11.0
95.01420	0.4
96.96014	0.9
97.02943	1.2
99.00879	0.5
101.02433	2.1
106.98069	1.7
113.02443	0.4
116.92802	0.4
122.97591	4.1
125.02453	2.3
127.04044	1.0
134.97577	3.7
136.89070	0.3
136.99153	1.0
148.99132	3.7
152.98636	5.0
161.04549	0.7
164.98628	8.0
179.00200	0.6
182.99631	1.5
188.98647	0.4
195.13968	0.4
206.99646	2.6
225.00735	15.0
225.09807	0.3
238.77451	0.3
241.00191	1.1
243.01736	2.0
272.23880	0.4
293.21317	0.5
297.20755	0.8
299.04443	3.4
315.04114	0.5
357.26257	0.3
371.06415	1.1
385.08051	0.7
399.09586	1.3
413.11172	1.2
441.14261	0.8
455.15967	2.0
481.17416	0.5
495.19122	2.0
523.18762	0.8
524.19116	0.7
593.26331	100.0
594.26611	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02020	0.1
61.98831	100.0
71.01394	0.2
71.52678	0.2
79.95741	0.6
80.96513	1.3
85.53373	0.1
86.87567	0.1
94.98109	0.3
97.19064	0.1
106.28159	0.1
134.97592	0.3
164.98602	0.2
194.54829	0.1
225.00754	0.3
293.21255	0.1
294.21585	0.2
299.04465	0.2
395.28403	0.2
481.70587	0.1
492.51575	0.2
532.88794	0.2
592.24872	0.3
593.26349	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	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11425	1.4
55.54051	1.4
57.03448	2.1
57.40129	1.3
59.01381	100.0
61.98827	9.0
71.01384	12.9
72.17717	1.3
73.02925	5.2
81.23576	1.6
83.01375	5.1
85.02954	11.6
85.06548	1.4
88.98785	1.8
89.02432	2.3
95.01360	2.1
96.96008	2.0
97.02988	1.5
98.19844	3.2
99.00864	2.7
101.02438	10.4
113.02425	5.7
115.92048	1.7
116.92834	5.1
129.94527	1.4
138.29280	1.7
143.03452	1.7
143.53294	1.6
161.04637	1.8
171.10197	2.1
185.11792	4.3
207.29749	1.4
211.16940	2.2
213.14919	1.8
216.26807	1.5
253.09047	2.5
279.23242	1.7
297.24115	2.2
343.28473	6.1
355.24768	5.5
369.26459	6.2
458.00568	1.8
465.19745	3.4
487.32730	59.3
488.32944	4.4
505.33881	25.5
506.33920	2.4
544.68359	1.6
547.34747	5.1
591.26666	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	591.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.9
59.01381	14.7
60.55766	0.7
67.63609	0.7
69.31865	0.6
71.01385	5.9
72.99312	4.4
75.00852	1.1
78.32456	0.6
83.01403	0.7
85.02951	2.4
86.91722	0.7
89.02448	8.3
91.24312	0.6
96.96025	1.4
97.02522	0.6
98.20028	2.7
98.20720	1.0
101.02464	4.7
105.01937	100.0
106.02287	1.0
111.01007	0.6
113.02451	2.6
116.53690	0.6
119.03510	2.9
119.90658	0.7
128.06520	0.7
133.02985	6.1
135.04530	2.4
143.03546	0.6
161.02448	35.9
162.02687	0.9
178.45769	0.8
179.03484	1.7
179.05750	0.7
185.55527	0.9
267.05103	37.0
268.05545	1.3
270.21063	0.7
323.13492	33.1
324.13681	1.3
358.85287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50409	1.6
57.03433	2.7
58.62441	1.5
59.01379	100.0
61.98824	15.5
70.60194	2.4
70.60517	3.4
71.01381	16.1
73.02948	5.8
78.95895	1.6
83.01392	4.0
85.02951	13.0
88.98782	3.7
89.02450	4.7
96.96018	3.0
97.75876	1.7
99.00887	2.5
99.92599	7.4
101.02460	11.0
111.00860	2.3
113.02494	9.3
115.92056	6.4
116.92863	25.2
119.03532	1.7
119.05025	5.8
120.05367	1.6
125.72643	1.7
126.90496	4.2
135.04523	2.1
143.03471	1.9
143.97464	1.8
161.04514	3.5
219.12315	1.8
253.09218	1.8
254.83044	1.7
268.03735	12.9
283.06143	16.8
297.24237	3.0
341.03244	1.7
343.28406	5.6
410.05905	1.6
445.67728	1.8
487.32742	52.3
487.39664	3.3
488.33060	5.8
505.33792	26.7
547.14429	2.1
547.34747	4.0
591.13397	4.8
591.25769	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	590.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90327	0.2
59.01375	0.9
61.98830	100.0
69.65517	1.0
78.95891	0.5
80.96528	1.2
94.98116	0.3
116.92858	0.6
124.78484	0.2
125.02454	0.3
126.74265	0.2
151.21323	0.2
196.89485	0.2
225.00816	0.3
292.20016	0.4
309.57513	0.2
590.18512	0.3
591.24896	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	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59346	0.3
55.67702	0.3
59.01378	0.4
61.63230	0.3
61.98830	100.0
63.82473	0.3
71.52123	0.3
80.96531	0.9
88.05928	0.3
88.38945	0.3
101.17789	0.3
123.79636	0.3
149.00902	0.4
199.20801	0.4
291.19724	0.6
292.20190	0.6
293.20474	0.5
294.20590	0.3
364.00516	0.3
411.17749	0.3
530.91565	0.4
591.25043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.8
59.01372	5.7
71.01389	5.0
81.03439	2.4
83.01382	6.0
85.02951	47.1
97.02962	4.7
99.04519	3.8
111.00901	2.1
111.54713	2.0
125.02442	9.8
129.01994	3.6
133.01414	4.3
144.20680	2.0
147.02953	2.8
187.02492	5.9
191.01990	25.5
209.01031	4.9
209.03015	100.0
219.05127	12.3
231.29480	2.0
371.06201	6.0
407.47321	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	591.169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38337	0.3
55.74308	0.3
57.03432	0.3
59.01375	1.7
61.98790	0.6
65.00312	0.4
69.40875	0.7
69.41296	1.5
71.01369	0.9
72.00896	1.8
74.02467	0.5
78.01096	0.4
82.75092	0.3
83.01380	0.6
85.02937	1.5
87.51797	0.3
88.98820	0.6
89.00311	1.5
89.02460	0.5
91.01896	0.6
95.01381	0.5
96.96017	0.4
98.20790	0.4
100.00415	3.8
100.04053	0.4
101.02425	0.3
106.00591	1.6
107.03640	1.3
111.00875	0.7
113.02468	1.5
118.05108	3.0
121.02953	26.3
122.03318	0.6
123.00875	1.2
126.01984	3.1
127.00378	0.7
134.04727	34.4
135.05170	0.4
136.98822	0.3
138.03214	1.3
139.00365	0.7
144.03061	2.5
153.05568	22.0
154.02715	0.4
154.05901	0.5
154.99844	0.3
160.02652	3.8
161.04541	0.6
166.99855	0.6
179.03581	0.4
179.05557	0.4
182.02202	2.5
197.04541	100.0
198.04889	2.9
217.06419	0.6
217.08426	8.1
261.07419	0.9
266.08954	1.1
285.04001	0.5
298.09311	5.1
324.07230	4.3
349.12607	0.5
426.31427	0.3
459.12607	0.5
476.28510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48575	0.3
56.99680	0.4
57.07938	0.3
61.98827	1.1
71.51874	0.5
72.99303	1.5
73.24718	0.4
75.00871	100.0
75.97747	0.3
76.01203	0.7
82.80083	0.3
88.45756	0.4
138.60382	0.3
193.79027	0.4
233.11742	0.3
247.77429	0.4
253.09412	0.6
277.21701	0.5
284.33453	0.3
293.21167	1.9
293.30579	0.4
305.84262	0.3
462.83536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
61.98829	100.0
69.94720	0.4
78.95901	0.2
83.28717	0.1
116.92861	0.2
233.30385	0.1
244.01672	0.1
291.19638	0.2
292.20114	0.4
293.20493	0.2
294.20477	0.1
355.24942	0.3
556.76459	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	589.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95062	0.1
55.06747	0.1
59.01402	0.1
61.98822	0.7
64.76426	0.1
69.44379	0.6
71.01382	0.1
79.95737	2.5
85.02942	0.3
86.60149	0.1
96.96011	100.0
97.95941	0.2
98.20382	0.3
191.01863	0.2
209.03029	0.3
287.92795	0.1
307.85464	0.1
361.56345	0.1
383.66980	0.1
420.25061	0.1
468.62949	0.1
480.63446	0.1
589.12140	0.8
590.12408	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55857	0.4
55.01881	0.5
55.16242	0.4
57.72106	0.4
59.01377	11.7
61.98843	2.2
62.42432	0.5
70.73840	1.0
71.01377	2.5
73.02943	0.6
78.46329	0.4
83.01331	0.4
85.02937	1.1
89.02440	1.7
96.86241	0.4
101.02436	2.6
111.48798	0.4
113.02435	1.2
115.10330	0.4
119.03493	1.1
161.04555	1.3
185.11786	0.6
194.22792	0.5
222.12494	0.5
235.08258	2.6
239.78879	0.4
253.09250	13.3
291.19647	100.0
292.19992	5.8
299.80484	0.5
319.87042	0.4
527.28583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.9849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01384	4.1
61.98836	8.5
70.24059	0.6
70.87744	1.1
71.01389	2.3
83.01398	0.9
85.02955	1.8
88.98846	0.9
89.02460	1.5
92.99834	1.8
93.03506	0.7
96.96024	1.9
97.90038	0.6
101.02473	1.4
102.37139	0.6
107.01377	0.8
109.02962	1.6
113.02413	1.1
116.92860	0.9
120.99339	1.7
121.02976	2.3
123.00897	0.8
124.01665	1.0
126.90505	66.9
133.02972	2.7
135.04523	0.6
136.70419	0.6
137.02452	0.9
139.04250	0.7
140.74866	0.7
143.05002	0.6
145.02943	1.1
146.03712	0.7
148.01685	3.0
149.02422	1.6
149.99669	1.3
151.00319	1.9
152.99561	0.8
157.02954	2.0
158.03700	1.7
159.04553	1.1
161.02499	2.0
163.03961	1.0
166.99948	0.7
169.02965	1.9
170.03723	2.7
171.04463	2.6
173.02460	1.8
174.03242	0.9
175.04001	1.4
176.01129	1.1
183.04530	0.8
185.02390	1.6
186.03203	3.8
187.03969	2.0
189.01904	1.4
197.02423	3.2
197.04295	1.1
198.03201	8.3
199.03969	8.7
200.01123	3.8
201.02000	3.7
213.01976	3.4
214.02724	6.7
215.03488	3.7
225.01875	2.2
226.02759	3.5
226.99994	0.7
227.03554	5.1
229.01407	1.8
241.01385	3.1
242.02176	24.3
243.02919	12.9
253.01454	2.3
269.00934	2.4
270.01645	5.5
271.02460	36.0
272.02802	1.8
276.90012	9.8
288.89948	1.3
298.01242	5.5
299.01929	10.1
304.89587	3.9
345.06125	1.5
368.92542	5.4
396.92130	5.1
397.92743	0.9
425.92395	96.4
426.93100	69.3
427.93430	2.5
434.08740	0.7
588.98450	100.0
589.98853	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07065	0.4
59.01376	8.0
59.09062	0.3
61.98828	0.6
71.01383	2.5
71.42356	0.5
73.02942	0.5
78.95896	0.4
83.05029	0.4
85.02937	0.9
85.60880	0.3
86.99291	0.3
88.66812	0.3
89.02433	2.3
90.71521	0.4
97.06569	0.4
101.02435	3.1
113.02442	1.6
121.99617	0.4
125.06065	0.5
130.68477	0.3
139.68762	0.3
148.08949	0.9
150.10564	0.5
151.11259	0.5
161.04538	0.9
163.11256	0.8
165.12830	14.5
166.13148	0.6
171.10226	0.8
191.14316	0.4
197.11728	0.6
245.19154	0.4
247.20654	7.7
248.20917	0.5
253.09277	13.8
273.18546	4.0
291.19638	100.0
292.19971	5.8
305.03799	0.3
314.83466	0.3
396.91083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.3
61.98824	1.4
71.01384	4.3
73.02946	0.8
78.95875	0.5
85.02957	1.1
89.02439	3.5
95.01450	0.5
96.96008	0.5
98.20291	3.2
101.02429	2.8
104.82063	0.4
110.64954	0.4
113.02459	1.6
116.92849	0.5
119.03516	0.7
148.08951	0.6
150.10524	0.6
161.04530	0.8
163.11284	0.5
165.12833	12.7
166.13167	0.5
171.10315	0.4
191.14418	0.5
197.11772	0.5
233.15422	0.5
247.20656	7.0
251.31963	0.4
253.09294	15.4
254.09709	0.5
273.18561	4.3
273.21295	0.4
291.19659	100.0
292.19968	4.8
305.09961	0.4
379.67755	0.4
527.28894	0.5
543.31293	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96283	0.8
59.01379	16.7
61.98832	6.0
64.22978	0.8
71.01380	3.4
78.95891	1.5
85.02937	1.6
87.49626	0.9
89.02415	2.1
98.19862	2.0
101.02433	2.0
113.02441	1.7
121.76119	0.9
161.04599	1.2
185.11688	0.9
235.08167	3.1
248.59770	0.9
253.09282	12.4
272.64798	1.0
291.19653	100.0
292.19855	4.6
363.41397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98832	100.0
68.78310	0.1
69.22085	0.5
69.22509	0.7
71.01389	0.3
75.53980	0.2
77.15536	0.1
85.02956	0.2
87.60577	0.1
88.98844	0.2
96.96008	0.3
99.92654	0.1
116.92874	0.5
149.02477	0.3
150.03227	0.9
165.05540	0.8
175.03973	0.2
195.06667	0.4
199.13257	0.1
229.09789	0.2
244.88632	0.1
244.95889	0.1
257.12994	0.4
267.70181	0.1
283.10858	0.2
301.11920	0.2
359.15134	0.2
393.02481	0.2
421.02353	0.2
537.21442	0.4
585.23505	1.7
612.03156	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	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40415	1.2
59.01104	1.9
59.01378	19.4
61.98841	2.5
64.56312	1.3
71.01375	6.0
73.02960	2.0
85.02934	2.5
89.02428	3.5
98.20650	5.2
99.36786	1.2
101.02435	2.7
111.08142	3.0
113.02466	1.5
116.92885	2.5
121.10220	3.1
125.09698	2.8
135.04543	4.0
171.10228	1.6
172.08775	1.2
177.12852	1.4
179.03439	1.5
179.90800	1.2
185.11797	4.3
195.13876	2.7
197.11894	1.8
247.20677	1.9
253.09308	12.3
273.18604	1.9
291.19659	100.0
292.19992	5.0
322.87488	1.3
350.51001	1.2
448.27939	1.1
527.28534	17.7
528.28857	1.5
587.25830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
59.83156	0.1
61.98830	100.0
67.69195	0.1
69.33366	0.4
69.33793	0.6
71.01394	0.2
73.02942	0.1
80.72889	0.1
85.02956	0.4
96.96053	0.2
98.20441	0.5
101.02455	0.2
115.92067	0.2
116.92891	0.4
117.92907	0.2
138.50600	0.1
174.33997	0.1
174.95198	0.1
218.04916	0.1
218.63454	0.2
242.27408	0.2
314.00925	0.2
329.03174	0.3
344.05460	0.4
349.88510	0.1
359.07736	1.3
361.29733	0.2
523.35150	0.6
583.36859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	7.3
59.01376	47.5
61.98830	33.8
64.11599	7.0
67.21526	7.2
67.47356	6.5
69.23938	55.8
69.24352	17.6
71.01372	15.4
82.02969	9.5
85.02908	8.7
88.25826	7.8
88.29960	6.7
88.98799	14.2
96.49368	6.1
102.51784	7.1
103.09049	6.4
109.04063	8.6
111.05679	7.7
112.53209	7.4
112.53976	7.4
116.92857	15.9
126.02018	14.2
127.05130	46.5
139.63084	6.4
140.08284	20.3
145.06157	22.6
166.54161	7.2
238.08363	8.3
253.09213	20.8
293.21243	44.0
309.21530	8.6
311.22250	100.0
336.75888	7.2
429.37067	8.6
437.27951	9.7
583.27679	36.4
583.36139	96.2
609.80804	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	583.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.5
61.98832	8.5
69.20083	5.3
73.63520	0.6
75.92017	0.6
78.95948	0.7
85.02965	1.7
87.04523	1.1
90.78390	0.7
93.03457	5.8
95.01423	0.9
96.96011	1.2
99.92573	1.4
101.02454	1.5
108.02177	1.0
109.02985	1.2
115.92062	1.3
116.92860	5.1
119.05030	8.7
120.05357	1.7
121.02953	11.7
122.03749	16.5
123.04530	1.4
126.90550	1.2
133.02966	2.3
134.03745	0.8
135.04521	7.5
135.15495	0.7
136.01657	11.9
137.02417	2.5
139.03937	0.8
145.02940	2.4
147.04549	1.6
147.47456	0.7
149.02429	29.0
149.06044	1.2
150.03221	95.6
151.00336	3.5
151.04030	13.2
152.01050	1.5
159.17101	0.6
160.05295	1.2
161.06059	1.4
162.03258	0.9
163.04012	2.5
164.04800	5.5
165.05562	100.0
166.02695	8.3
166.05884	2.5
167.03464	3.5
172.05286	1.5
175.03999	3.7
175.07619	0.9
177.05640	1.2
180.04243	5.7
181.05042	11.7
189.05608	4.0
190.02687	0.7
190.06328	6.8
195.06613	55.7
196.06975	1.6
205.05069	1.2
205.08691	1.5
282.05341	1.0
297.07895	0.8
315.08765	1.0
325.10931	0.9
329.10257	3.1
341.10147	0.8
341.13831	0.7
342.10828	1.7
342.14551	0.9
356.12570	2.0
357.09631	2.6
357.13428	9.9
372.12277	1.8
373.12958	1.9
387.14487	32.9
388.14651	1.7
462.20422	0.9
463.20590	2.0
505.18521	6.4
517.18658	0.8
535.19708	51.8
536.19849	3.5
547.27515	1.3
566.78888	0.8
583.22302	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.0
61.98829	31.3
63.49031	0.9
69.15527	6.0
69.15946	3.7
70.53983	1.1
78.95871	1.4
85.02964	2.2
90.86571	1.0
93.03451	4.3
96.96010	2.1
99.92592	1.9
114.26783	0.9
115.92056	1.6
116.92856	8.1
119.05013	3.4
121.02961	6.7
122.03740	14.3
126.90471	1.3
133.02975	1.8
135.04512	1.7
136.01662	6.1
137.02425	2.0
145.02881	1.8
149.02443	21.3
150.03223	88.6
151.00351	1.0
151.04016	6.6
158.92549	0.9
164.04773	4.7
165.05562	100.0
166.02670	4.0
166.05930	2.3
175.04005	1.3
180.04314	6.2
181.05110	5.3
195.06616	68.3
196.06921	2.0
225.22916	0.9
282.05530	1.2
329.10455	1.2
357.09497	1.2
357.13467	7.1
372.11938	1.3
373.12845	1.7
387.14462	15.5
463.20822	1.3
535.19647	17.7
536.20001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07736	1.6
54.73122	1.7
59.94926	1.6
67.32513	1.8
78.95904	89.1
80.42456	1.7
85.25365	2.0
96.96970	2.6
99.92554	12.7
115.92069	42.5
115.92828	3.3
116.92092	3.8
116.92850	27.6
120.97049	2.1
122.12971	1.8
130.12952	1.5
150.97995	4.5
152.99591	29.5
163.89661	2.3
164.90471	3.2
171.00511	2.8
172.49316	1.8
172.95435	3.9
178.88417	13.9
179.89198	25.1
180.89977	21.0
181.90764	4.0
194.87872	4.2
196.89482	41.8
205.90800	2.8
206.91451	3.6
208.89534	2.4
235.91852	9.3
236.92641	14.2
252.92035	4.4
253.92915	5.0
255.23163	8.9
383.37906	2.0
411.18356	3.2
475.15579	7.0
492.15982	7.6
535.17596	6.9
547.17603	8.0
565.19775	2.4
583.19794	100.0
584.20001	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	583.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.8
57.03429	1.3
59.01374	1.3
59.41209	0.4
61.98823	1.0
65.00311	0.8
67.01886	0.7
68.99802	1.8
69.68047	2.8
71.01386	5.3
72.99303	1.2
75.00873	0.7
83.01386	40.4
84.01727	0.4
85.02947	6.8
88.98775	0.8
89.00320	3.7
91.01891	1.6
93.68562	0.4
95.01393	1.8
96.95976	0.6
99.00871	6.6
100.11045	0.4
100.17406	0.4
106.00600	3.3
109.02962	0.5
111.00880	17.5
112.98838	0.5
115.03300	0.5
115.04022	1.8
117.02015	0.4
121.02962	36.9
122.03316	0.8
123.00880	12.3
125.02464	3.7
125.99632	0.5
127.00376	1.0
129.01938	3.8
134.67117	0.4
136.98813	1.5
137.02452	1.2
137.99559	0.5
138.03235	6.7
139.00412	1.1
139.03979	1.4
141.02003	0.5
143.03499	49.1
144.03815	0.9
153.05579	27.1
154.05858	0.4
154.99922	2.2
166.99849	11.2
169.01390	1.1
173.00883	2.5
181.01454	1.4
182.02199	28.6
183.02510	0.8
185.27640	0.4
187.02484	1.6
191.01985	0.9
196.03712	0.9
197.04543	100.0
198.04858	2.6
205.01401	1.2
205.03389	0.5
211.06119	0.6
220.03777	0.6
223.06131	1.6
237.07681	0.9
251.05582	1.3
263.05460	0.5
265.07224	1.8
269.69928	0.5
273.56607	0.4
279.05188	0.6
287.43103	0.5
295.08096	0.5
303.33273	0.4
309.06097	1.3
323.07602	2.4
341.08759	9.0
353.05365	0.8
371.06277	0.7
385.07697	7.7
386.08469	0.5
403.08850	1.4
583.21686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.7
57.03434	0.7
59.01374	0.5
61.16149	0.4
61.98828	2.4
65.00328	0.6
67.01884	0.5
68.99818	1.1
69.51247	1.1
69.51678	1.7
71.01376	4.4
72.48741	0.4
72.99297	0.3
78.01120	0.6
80.98376	0.4
81.80880	0.4
82.92884	0.4
83.01384	56.2
84.01686	0.6
85.02945	3.8
89.00316	2.9
91.01894	1.4
95.01365	2.2
99.00883	7.8
106.00598	3.0
111.00886	15.0
111.01680	0.7
115.04005	3.3
117.01939	0.4
121.02953	33.6
122.03297	0.7
123.00885	12.5
125.02453	4.4
127.00391	1.2
129.01949	1.6
136.98842	0.6
137.02477	0.6
137.99660	0.5
138.03232	5.7
139.00352	1.2
143.03493	71.7
144.03818	1.2
153.05569	20.9
154.99837	1.3
166.99849	11.3
169.01408	0.7
173.00885	0.8
181.01370	0.9
182.02202	31.9
183.02484	0.8
187.02495	0.9
197.04539	100.0
198.04926	2.7
198.06516	0.5
206.00534	0.4
223.06145	0.9
237.03989	1.2
259.19897	0.4
265.07214	1.2
302.77713	0.4
304.60422	0.4
309.06085	1.6
323.07632	1.5
341.08728	1.1
385.07770	4.2
403.08688	0.5
508.17245	0.4
527.67413	0.4
576.24603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15524	0.1
59.01376	0.3
61.98830	100.0
62.98543	0.1
70.99885	0.2
78.95905	0.8
105.77504	0.1
108.03568	0.1
152.99577	0.3
224.06929	0.3
279.23294	1.9
280.23645	0.7
281.24060	0.3
282.24277	0.3
330.81827	0.1
433.23593	0.2
504.30911	1.5
505.31784	0.2
506.31897	0.3
507.31757	0.8
581.32172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15272	0.7
55.01876	2.4
57.03437	2.8
59.01377	26.0
61.98829	9.1
69.03452	1.3
69.68621	1.7
69.69013	2.2
71.01386	17.0
73.02943	6.8
75.00883	1.0
83.01402	4.3
83.01899	0.7
85.02950	15.4
86.00108	1.3
87.00883	0.9
88.98812	5.8
89.02449	2.5
90.28803	0.9
93.03517	0.8
96.96032	2.1
98.20385	3.1
99.00877	3.7
100.54971	0.8
101.02444	15.8
111.00876	3.9
113.02454	7.3
115.92115	1.6
116.92838	7.6
126.90486	1.3
129.01933	1.6
135.04533	1.4
137.09706	1.9
151.07715	1.1
155.10750	1.6
161.04579	1.4
191.02045	1.1
195.06580	1.6
201.14970	2.1
230.15181	1.7
291.08783	3.4
359.27991	10.9
521.33337	100.0
522.33881	8.5
532.88245	0.9
539.30902	1.4
581.08856	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	582.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88269	0.5
59.01382	20.4
61.98824	1.2
68.31649	0.6
73.61350	0.6
78.95905	23.6
79.36962	0.5
80.96510	1.8
84.82584	0.6
93.58002	0.5
94.98045	0.8
115.92078	2.0
116.92839	1.6
117.20750	0.6
117.21599	0.7
149.47760	0.5
152.99561	4.9
168.04312	2.8
168.26003	0.6
179.89192	1.0
180.89977	1.1
196.89481	2.1
224.06888	8.5
231.82994	0.6
242.08055	1.5
283.26410	100.0
284.26859	4.5
492.15073	0.7
508.34073	77.8
509.34366	7.5
582.30249	3.7
583.19788	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98829	100.0
62.98528	0.1
78.95918	0.4
96.52422	0.1
98.19864	0.2
98.20561	0.3
111.54852	0.1
140.73413	0.1
152.99593	0.4
161.27603	0.1
193.84770	0.1
211.41336	0.1
242.08180	0.1
259.16418	0.1
279.23267	2.1
279.26001	0.2
280.23660	0.9
281.23911	0.5
282.24249	0.4
290.88547	0.1
504.30969	0.9
505.31592	0.2
506.31418	0.1
507.31961	0.5
581.32214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04537	4.5
59.01373	10.4
61.98834	9.3
65.26775	4.3
69.15965	47.3
70.89967	4.5
98.20265	27.1
101.02457	6.3
107.72574	4.6
156.38223	4.7
188.44598	6.2
196.97038	4.9
253.09221	21.7
291.19690	18.5
307.19525	4.9
309.20682	100.0
310.21173	5.8
408.77744	5.0
454.06848	4.6
494.41251	4.8
545.29688	93.9
546.29761	16.0
581.27551	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2733
Annotation	Euphoscopin B
Peak:m/z	Relative Intensity
51.45668	6.6
59.01378	58.9
60.91068	7.1
61.98831	67.2
69.15766	7.4
69.16103	77.7
71.01375	22.1
73.02946	12.2
78.95902	14.1
85.02948	20.6
87.04527	28.8
88.98813	8.1
89.02444	9.3
96.96030	11.2
98.20415	37.0
99.92593	11.5
101.02428	31.8
112.22527	7.3
113.02443	13.0
115.92009	15.6
116.92882	66.0
126.90515	24.7
152.99660	10.2
153.49620	7.6
156.49693	6.7
171.10223	12.5
197.11806	9.1
211.13370	40.1
253.09235	27.6
291.19666	62.0
309.20718	32.7
325.61041	9.7
333.20642	17.8
407.19385	9.9
526.02496	9.0
527.28473	34.7
539.27216	21.0
581.27527	100.0
582.24988	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	581.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.2
59.01365	0.5
68.40840	0.2
70.02345	0.1
71.01389	0.3
74.70082	0.1
78.37792	0.1
80.96540	0.1
81.16502	0.1
85.02509	0.1
85.02961	0.8
88.98818	0.2
89.02477	0.2
89.09486	0.1
93.87922	0.1
99.92581	10.5
100.92613	0.5
101.02408	0.2
105.87002	0.1
108.02234	0.2
113.02415	0.2
114.93386	0.2
116.92861	100.0
117.92867	3.0
121.02884	0.2
129.01944	0.2
137.91458	0.1
149.02415	0.4
150.03171	0.5
151.00388	0.2
165.05627	0.4
183.10199	0.2
191.01926	0.2
195.06575	0.2
243.03047	0.2
255.03075	0.5
258.66647	0.2
271.02545	1.0
300.02695	1.9
301.03622	0.6
411.49469	0.1
463.08807	2.7
464.09409	0.2
473.17981	0.8
491.19354	0.3
530.15680	0.2
533.20612	0.4
551.28766	0.2
563.01526	0.4
581.22308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1822
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
54.46272	0.8
61.98824	1.5
62.96383	0.8
71.01374	1.4
78.95901	100.0
93.21170	0.8
96.96981	4.6
96.97529	0.9
99.92574	10.9
100.93352	2.3
115.92078	37.5
116.92856	28.4
116.93558	0.5
116.93707	0.9
122.74398	0.8
130.98361	0.8
150.98039	4.3
152.98395	1.6
152.99585	27.6
155.95200	1.5
158.02155	0.8
163.89694	1.1
164.90460	1.3
171.00627	13.6
172.95456	5.3
178.88416	14.8
179.89211	41.6
180.90021	27.8
181.90790	1.7
193.90796	0.8
194.87949	4.2
196.89476	48.0
197.89496	2.2
204.90021	1.0
205.90771	5.5
206.91490	4.2
208.89464	1.9
217.90877	0.9
218.91548	1.4
219.92404	1.2
221.90228	1.9
229.96754	1.0
234.48137	1.0
234.91049	2.5
235.91817	11.3
236.92598	27.0
237.93163	0.9
252.92065	3.5
270.93192	2.4
276.95700	2.6
278.93710	4.2
292.95316	2.0
309.95532	1.2
310.96298	7.0
311.96454	0.9
326.95956	1.1
473.13907	6.1
490.14383	4.7
533.16144	3.5
545.16119	5.8
563.17346	7.4
564.17853	1.7
581.18213	81.5
582.18323	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	580.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.2
60.69802	0.4
61.00714	0.3
61.98831	37.9
62.73854	0.4
62.98548	0.5
63.99261	4.8
71.01363	2.9
71.14690	0.9
72.39339	0.4
73.02941	0.7
78.95901	22.1
78.98592	1.7
79.95728	4.5
80.96516	27.0
81.96469	0.8
82.96094	1.4
85.02950	1.3
87.00883	1.3
94.98093	6.4
96.95988	0.5
96.96951	0.6
98.19764	0.4
101.02444	1.2
106.98093	0.8
122.97560	1.5
122.98453	0.6
125.02490	0.9
134.97617	2.0
136.99139	0.9
148.99152	2.5
151.61517	0.4
152.98470	2.7
152.99690	2.9
164.98628	4.5
165.99013	0.9
168.04317	3.4
196.89476	0.7
206.99628	1.0
224.06911	8.8
225.00740	5.9
226.00995	1.9
227.00354	0.4
236.92671	0.5
242.07982	1.6
279.23331	0.4
280.23566	0.9
281.24841	100.0
282.25153	5.3
299.04376	0.9
300.04730	0.4
351.52090	0.4
506.32486	78.6
507.32782	6.6
534.24121	0.4
554.44910	0.6
580.28754	45.7
581.18335	1.8
581.28693	5.1
601.48560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27028	0.4
59.01377	13.9
61.98832	13.1
62.98512	0.5
63.99252	1.2
70.81745	0.7
71.01389	1.4
71.83428	0.4
76.02216	0.4
78.78130	0.4
78.95909	5.5
78.98603	0.9
79.95739	1.8
80.96515	10.9
89.06090	0.5
91.14998	0.4
94.98090	2.5
98.20442	0.7
101.02446	0.5
106.98128	0.5
107.62498	0.4
122.97626	0.6
134.97594	0.6
148.99141	1.0
152.98553	0.6
152.99602	1.0
164.98619	2.1
168.04317	1.5
224.06993	0.6
225.00713	1.9
226.01018	0.5
242.08014	2.7
281.24835	100.0
282.25244	4.9
301.90973	0.4
506.32483	39.0
507.32797	3.5
580.28693	18.4
581.28491	2.3
588.99005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98829	100.0
62.98518	0.1
69.22823	0.4
69.23254	0.4
76.75468	0.1
78.95895	0.9
94.64584	0.1
95.34873	0.1
96.36862	0.1
100.82148	0.1
119.02048	0.1
152.99626	0.4
171.90335	0.1
200.91374	0.1
224.06964	0.1
277.21729	1.3
278.22162	0.5
279.22412	0.3
280.22754	0.2
495.26535	0.1
502.29404	1.1
503.29819	0.3
504.30383	0.3
505.30347	0.8
579.30914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.98830	100.0
78.95927	0.3
80.27917	0.1
84.26461	0.1
90.71908	0.1
93.13551	0.1
98.20670	0.2
116.61316	0.1
124.92409	0.2
136.19109	0.1
152.99599	0.4
157.16742	0.1
277.21713	2.2
278.22018	0.9
279.22397	0.5
280.22635	0.3
291.24445	0.1
502.29385	0.9
503.29584	0.2
505.30319	0.6
552.97662	0.1
579.30688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86689	17.5
56.00208	17.9
61.98842	100.0
73.32217	17.6
84.46731	18.6
95.49548	17.0
95.73026	18.0
98.20682	44.9
105.23443	19.2
130.27422	19.5
166.24429	16.5
211.19316	17.4
246.05348	18.5
308.58456	23.3
510.45129	21.0
579.29022	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	579.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40508	20.3
61.98822	100.0
63.83405	21.6
72.74213	21.0
73.19922	19.8
74.87957	19.6
76.45392	21.8
78.95895	28.6
91.87698	23.0
98.20052	22.2
212.51825	22.9
223.00763	22.5
320.80542	19.5
352.56760	25.9
371.64615	22.0
385.49875	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01369	0.7
63.96248	0.7
64.97034	0.2
71.01382	7.1
71.01782	0.4
71.26340	0.3
71.26659	0.3
72.99248	0.3
73.02968	1.4
78.98595	5.4
79.95365	0.2
79.95739	9.5
80.96516	62.6
81.03474	0.8
83.01403	0.3
85.02943	2.7
87.00874	2.3
94.98084	14.2
95.01395	0.3
95.51357	0.2
96.96008	1.1
97.02940	1.2
99.00869	0.6
99.04449	0.2
101.02441	2.7
102.59470	0.2
106.98087	2.8
113.02457	0.3
122.97588	2.5
125.02462	2.5
127.03992	0.8
127.04966	0.3
134.97595	3.5
136.99127	1.4
146.97612	0.3
148.99138	5.9
152.98627	5.5
164.98625	11.3
167.00177	0.5
179.00403	0.3
188.27618	0.3
188.98642	0.3
193.78056	0.2
206.99686	2.4
208.55196	0.2
225.00732	14.9
226.00847	0.3
279.23242	2.3
299.04468	3.3
579.28412	100.0
580.28723	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	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01381	45.4
61.98833	6.9
64.02903	0.8
71.01013	1.1
71.01379	12.0
72.99304	1.0
73.02949	2.7
78.95901	1.8
80.02662	1.3
81.03454	2.1
83.01392	0.9
83.05033	5.9
84.02153	2.5
85.02943	6.3
87.00872	2.0
88.98753	1.1
89.02439	5.8
89.57438	0.9
95.05038	1.3
96.96011	2.9
97.02951	1.3
99.92568	1.2
101.02435	9.4
111.00900	0.9
113.02454	5.3
116.92876	6.4
119.03498	1.2
125.09716	1.6
126.90505	2.5
135.08122	1.5
143.03554	1.0
153.09163	0.9
161.04510	3.2
163.11264	3.3
165.12831	3.0
171.10271	19.4
179.05531	1.0
185.11807	1.3
195.06435	1.0
197.11830	1.1
209.11826	100.0
210.12161	4.3
227.12886	12.7
239.16487	1.5
249.14909	1.3
253.09258	15.8
254.09518	1.2
257.17496	1.3
297.41187	0.9
307.19052	4.2
312.73853	0.9
325.20074	1.8
349.16516	1.1
401.21689	2.3
476.32254	1.1
493.26590	2.5
517.26819	1.5
519.31970	1.5
535.27411	32.0
536.27936	2.8
579.13464	1.4
579.34149	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	579.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71917	9.0
59.01371	51.8
61.98578	9.7
61.98832	100.0
71.01367	12.9
71.22349	19.4
78.95920	14.2
85.02953	29.0
88.98815	11.7
89.02468	13.2
96.96002	13.8
114.93420	10.7
116.92847	40.5
120.74673	9.1
126.90491	32.2
136.13588	10.0
195.17665	8.6
197.88120	8.5
253.09303	37.5
289.18060	90.2
307.19131	31.8
343.24683	27.1
522.25183	9.9
525.27020	13.4
543.27832	14.2
579.25824	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.8
61.12099	2.0
61.98818	3.9
71.01378	4.5
71.51750	2.3
77.38467	1.8
85.02947	2.8
89.02412	5.0
101.02448	4.0
113.02445	2.7
116.99198	2.2
123.04485	2.3
136.35251	2.0
144.74944	1.9
161.04576	2.2
163.11320	3.8
185.11850	2.4
191.14388	7.0
225.11247	2.6
237.11292	5.3
245.19073	15.5
245.21179	2.2
253.09302	37.4
271.17075	3.7
289.18088	100.0
290.18423	5.6
307.19144	96.3
308.19568	5.0
385.63135	2.0
525.26837	9.7
543.27930	8.6
579.25787	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	579.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87059	1.8
57.98649	1.5
59.01386	8.7
61.98812	4.6
65.54310	1.6
71.01377	7.8
73.02940	1.9
85.02943	2.4
85.91308	1.8
89.02450	5.7
98.20277	9.0
101.02445	6.3
113.02431	5.3
119.03510	2.2
123.04555	1.9
125.09737	1.6
137.09682	2.8
161.04539	4.5
162.10594	1.6
163.11275	4.1
185.11896	2.9
191.14297	5.3
207.10103	3.2
209.11835	1.7
224.24423	2.0
237.11302	5.6
245.19069	11.6
253.09290	40.9
254.09589	2.1
271.17111	2.4
289.18094	83.5
290.18365	6.5
307.19153	100.0
308.19388	8.1
380.89813	1.5
525.26959	6.1
543.28394	9.3
579.25958	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	579.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	20.1
61.98834	42.2
71.01384	7.5
71.08880	7.6
71.09213	9.9
78.95900	19.4
88.98784	8.6
96.09816	7.0
96.96013	51.4
98.01878	6.3
113.02508	7.8
182.53267	6.8
245.19081	12.5
253.09349	25.2
289.18134	41.1
307.19110	100.0
512.31903	7.3
542.54321	7.2
543.28204	76.3
546.71271	7.1
559.28107	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74873	0.2
54.58382	0.2
59.01379	15.8
61.11841	0.2
69.18490	0.6
69.18907	1.2
71.01376	0.4
78.95904	6.5
79.95742	0.6
80.96523	2.5
94.03033	0.2
94.98078	0.6
98.19886	0.5
119.79288	0.2
122.97591	0.3
152.99608	1.2
164.98616	0.6
168.04321	1.6
224.06921	1.0
225.00772	0.7
242.07971	2.9
248.68785	0.2
261.22086	0.4
279.23270	100.0
280.23630	6.4
316.11316	0.3
428.74130	0.3
504.30930	38.4
505.31259	2.8
578.27197	5.6
579.27124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28147	0.3
59.01380	19.6
69.18340	3.4
72.62903	0.4
78.95905	18.9
78.98640	0.4
80.96513	3.1
84.13845	0.4
91.79773	0.3
94.98089	0.5
96.96984	0.5
96.97608	0.4
98.20684	0.6
122.98481	0.6
149.79915	0.4
152.99570	2.9
156.17834	0.4
164.98624	0.4
168.04337	3.1
217.79919	0.3
224.06911	8.5
233.45334	0.4
242.07986	2.4
263.93582	0.3
279.23276	100.0
280.23633	5.7
359.55920	0.4
464.15314	0.4
504.30960	79.1
505.31308	7.7
578.27112	4.4
579.27539	0.5
600.41614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1719
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
59.01375	1.4
63.02408	1.4
65.00323	10.9
66.17544	0.3
69.14816	3.4
71.01386	0.5
77.69070	0.4
83.01379	6.2
85.02950	0.7
87.00893	0.4
93.03458	5.3
94.03827	0.4
107.01392	18.3
108.02209	0.9
108.99284	0.4
117.03419	0.5
119.05025	38.0
120.05383	0.9
121.02914	0.8
125.02429	4.5
131.43866	0.3
136.01656	0.9
137.02446	0.5
143.05006	1.1
145.02965	5.1
151.00365	90.0
152.00731	2.1
161.06064	1.0
164.01135	1.7
165.01926	3.6
166.02696	1.6
167.03523	0.4
169.01424	0.6
175.00340	1.7
177.01924	6.7
181.05061	1.7
185.04514	0.4
185.06003	2.0
187.03989	2.6
193.01466	2.6
196.00117	0.6
203.07077	0.5
205.01372	0.7
205.28300	0.5
209.04529	0.7
227.07188	2.6
229.05048	0.7
235.02553	1.8
254.09933	0.4
269.04443	1.9
270.04895	1.3
271.06110	57.6
272.06430	3.4
295.04901	0.5
313.07205	3.1
339.07147	1.0
373.09314	1.2
417.15945	2.2
433.13080	0.5
455.85352	0.4
459.11493	16.2
460.11725	1.2
507.41699	0.4
579.17126	100.0
580.17505	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	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.22331	0.7
69.22749	1.3
71.01404	0.3
78.98594	0.5
79.95737	0.6
80.96515	4.3
87.00898	0.4
94.98087	0.8
101.02466	0.3
106.98109	0.2
148.99142	0.5
152.98608	0.4
164.98654	0.8
206.99718	0.4
225.00653	1.1
228.85875	0.3
241.74693	0.3
279.23358	0.6
280.23672	0.7
281.23993	0.4
561.19800	0.3
579.28394	8.0
583.87036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.22894	0.3
69.23202	2.5
71.01383	0.6
78.98582	0.6
79.95753	0.7
80.96515	5.8
80.96953	0.4
94.98109	1.2
106.98115	0.3
122.97575	0.4
134.97621	0.3
152.98610	0.5
164.98695	0.8
206.99609	0.3
220.52499	0.3
225.00854	1.4
243.58401	0.3
254.44420	0.3
279.23267	0.6
280.23749	0.9
281.24014	0.4
288.65115	0.3
579.28394	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	577.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03439	0.8
59.01379	8.2
61.98828	1.9
69.03450	0.9
69.14933	1.2
69.15365	1.1
71.01381	5.3
71.05024	0.3
72.99295	0.5
73.02950	1.0
75.00881	0.3
81.03466	0.3
83.01398	0.8
83.05025	0.8
84.01717	0.5
84.02168	3.7
85.02948	2.0
87.00871	0.7
88.98800	0.3
89.02442	5.0
91.04042	0.3
95.01398	0.4
95.05022	0.4
96.96017	0.3
97.02918	1.3
97.06588	5.2
99.00872	0.3
99.04518	1.7
101.02436	5.5
111.08133	0.4
112.98614	0.2
113.02465	2.7
115.92027	0.3
116.92854	0.6
119.03493	1.5
119.04856	0.2
119.08674	0.3
121.10165	0.3
123.08186	0.4
125.09705	1.1
126.90509	2.4
127.11272	0.7
135.08134	0.5
137.09729	0.7
139.07660	0.4
143.03474	0.3
151.11281	0.5
161.04538	2.8
163.11258	0.3
165.12881	0.4
169.12357	0.6
171.10265	14.7
172.10580	0.5
175.11261	0.5
177.12776	0.3
179.05588	1.2
181.12384	0.8
183.13853	1.1
185.11798	0.5
191.02046	0.5
193.12332	8.4
194.12653	0.2
195.13858	0.3
197.11830	0.2
197.15379	0.5
199.13364	1.4
201.11298	1.3
203.10806	0.4
209.11798	0.6
211.13332	2.2
221.11783	1.6
225.14948	12.2
233.15462	0.3
239.12889	0.7
243.15981	5.3
251.16209	0.3
253.09271	28.7
253.14508	0.8
254.09668	0.7
273.18533	0.4
291.19733	1.4
305.17645	0.5
305.21210	0.7
309.20773	0.2
316.52878	0.3
323.18546	0.4
323.22235	0.7
341.23291	100.0
342.23660	5.1
390.40637	0.2
517.31409	0.5
533.29688	0.3
559.27551	0.5
577.32764	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	577.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
58.00601	0.3
59.01375	7.9
59.21612	0.3
61.98832	2.6
69.03472	1.6
69.14510	3.3
71.01385	5.8
72.99303	0.4
73.02943	1.3
78.95920	0.3
81.03491	0.3
83.01404	0.7
83.05021	1.0
84.02168	1.2
85.02953	3.0
87.00876	1.0
88.98798	0.8
89.02452	5.5
91.04006	0.4
95.01390	0.6
95.05020	0.8
96.96010	0.6
97.02971	0.7
97.06590	7.6
98.19955	0.7
98.20609	0.6
99.00871	0.7
99.04538	0.9
99.92580	5.0
101.02448	6.2
103.03104	0.3
107.05054	0.4
111.08153	0.5
113.02457	3.0
116.92861	46.8
117.01997	0.4
117.92879	2.3
119.03504	1.6
121.10225	0.4
123.08138	0.3
125.06097	1.7
125.09696	2.1
126.90495	0.7
127.11295	1.0
135.04561	0.3
137.09694	0.7
139.07648	1.8
141.09236	0.6
142.69421	0.3
143.03520	0.7
151.07669	0.5
151.11209	0.7
153.09277	0.5
155.10789	0.3
161.04568	3.2
161.09618	0.3
163.11275	0.5
165.09229	0.3
165.12843	1.0
169.08704	1.3
171.10268	11.0
175.11250	0.4
176.17241	0.3
177.12872	0.7
179.05672	0.7
183.13911	1.2
185.11804	0.7
193.12332	11.4
197.11815	1.1
197.15459	0.6
199.09790	0.4
199.13332	0.6
201.11311	9.3
207.10246	0.8
209.11771	3.2
211.13383	3.5
221.11797	1.3
225.11334	1.1
225.14944	17.4
226.15341	0.5
228.58754	0.3
241.12132	0.4
243.15990	8.4
244.16124	0.4
253.09274	32.5
253.14485	1.3
254.09631	0.7
283.13870	0.3
287.16669	0.5
291.19669	0.9
305.17618	4.0
305.20917	0.5
306.18143	0.4
311.22214	0.4
323.18655	0.7
323.22131	0.6
341.23297	100.0
342.23611	6.2
390.62671	0.3
414.30179	0.3
533.29755	0.5
541.26495	0.8
559.27405	0.5
577.32593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
58.00578	1.0
59.01380	17.0
61.98829	5.0
69.03453	1.8
69.19053	4.2
71.01382	9.6
72.02171	0.5
73.02936	2.2
81.03460	0.9
83.01392	1.3
83.05026	1.6
84.02171	3.5
85.02956	5.1
87.00919	1.1
87.04512	0.6
87.62816	0.5
88.98769	0.8
89.02445	9.1
95.01389	1.2
95.05021	2.2
96.95995	0.7
97.02972	1.3
97.06593	6.6
99.00888	2.0
99.04527	0.7
99.92573	1.9
101.02445	9.1
106.04250	0.6
107.05006	1.3
109.06559	0.6
111.08154	1.6
113.02463	4.2
116.92866	14.7
117.92845	0.9
119.03506	2.2
119.84220	0.5
121.06612	0.6
123.04566	0.7
123.08158	1.4
125.02415	0.8
125.06095	4.9
125.09724	2.1
126.90512	15.5
127.07653	1.3
127.11282	2.1
129.01897	0.6
131.03488	0.6
137.09717	1.3
139.07651	5.5
139.11253	0.7
141.09236	1.0
151.07642	1.3
151.11307	0.7
153.09232	1.0
155.10774	1.3
155.60741	0.5
161.02391	1.4
161.04536	4.0
163.11263	1.7
165.09236	0.8
169.08727	5.7
169.12314	2.3
171.10272	26.8
172.10612	0.7
177.01953	0.8
179.05597	1.8
181.12390	2.8
183.10255	0.8
183.13895	2.3
185.11859	1.2
193.12373	4.9
197.11855	2.8
199.09708	0.7
199.13354	4.4
201.11317	34.0
202.11723	1.2
203.10657	0.6
207.10268	1.8
209.11815	10.6
211.13370	6.7
213.11334	0.9
221.11880	1.4
225.11420	3.6
225.14946	7.7
227.12842	1.1
227.22798	0.6
235.08115	0.6
243.15868	3.8
253.09280	45.6
254.09584	1.5
261.18442	0.7
269.04385	0.7
279.19626	1.5
287.16571	1.2
291.19586	1.7
297.10593	0.5
305.17627	10.1
305.20932	1.0
309.20651	0.8
323.18549	3.3
323.22324	2.2
341.23312	100.0
342.23682	6.0
407.19440	0.7
408.26715	0.5
437.20154	1.2
461.20126	0.7
479.21436	0.8
541.26733	3.1
559.27454	2.5
577.32037	1.6
590.90002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2865
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.21168	0.5
57.03445	1.9
58.00599	0.9
59.01382	13.3
59.73243	0.5
61.98835	4.1
69.03452	1.4
70.47087	0.9
70.47417	1.1
71.01381	8.1
72.02185	0.6
72.99329	0.8
73.02943	2.8
73.16642	0.5
83.01391	1.0
83.05011	1.8
84.02174	2.0
85.02944	4.8
87.00876	1.6
88.98781	0.6
89.02447	7.1
95.05041	1.4
97.02953	1.6
97.06594	7.3
99.00893	2.3
99.92596	12.1
100.01682	0.7
100.92622	0.8
101.02451	8.2
107.05029	2.2
109.06540	0.7
110.18955	0.6
111.08189	1.3
113.02452	4.0
113.33952	0.8
116.92870	100.0
117.01947	1.7
117.92860	4.1
119.03501	2.8
121.06611	1.0
125.06089	6.2
125.09750	4.3
126.90506	0.8
127.07642	0.9
127.11320	2.0
135.08191	1.3
137.09738	1.5
139.07678	7.9
139.11322	0.6
141.09222	1.8
143.03505	0.7
151.07628	1.5
151.11301	0.7
153.09209	1.9
155.10797	0.9
161.04575	4.3
163.11292	1.2
165.09306	1.1
165.12801	0.6
169.08698	8.1
169.12483	0.5
171.10275	27.1
172.10603	0.7
175.11282	0.7
177.12910	0.7
179.05678	1.3
181.12300	1.2
181.63135	0.5
183.13893	1.5
185.11879	2.4
191.10721	0.6
193.12357	8.9
193.13985	1.0
197.10229	0.7
197.11758	3.1
199.09773	2.0
199.13408	1.1
201.11333	44.1
202.11742	1.0
207.10243	1.9
209.11819	15.6
210.12289	0.6
211.13411	5.0
213.11351	0.9
221.11786	1.5
225.11411	4.3
225.14938	11.1
227.12959	0.9
235.08151	0.7
239.12859	0.7
243.12318	1.4
243.15955	6.5
253.09286	44.6
254.09624	1.4
269.04733	0.9
279.19547	1.0
287.16544	2.1
291.19754	1.5
300.43753	0.6
305.17612	15.7
305.21216	1.0
309.20706	0.5
323.18591	3.4
323.22116	1.1
341.23312	87.4
342.23688	4.5
433.78101	0.6
435.19095	0.6
437.20349	1.6
440.66638	0.6
479.21310	0.9
533.29315	1.3
541.26575	4.4
542.27032	0.7
559.27673	2.2
577.32257	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	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98831	32.4
62.99181	0.4
63.96231	1.1
69.03441	0.4
70.26492	0.9
70.26846	1.1
71.01379	5.7
73.02939	1.2
78.98592	5.0
79.95734	9.2
80.96517	56.8
81.03462	0.6
81.80444	0.4
85.02957	2.7
87.00874	2.6
94.98092	12.1
96.96007	0.9
97.02932	1.5
101.02444	2.0
106.98075	3.2
118.07681	0.4
122.97601	2.4
123.86210	0.4
125.02473	2.2
132.72371	0.4
134.97559	3.1
136.99109	0.8
148.99142	5.0
152.98634	5.1
164.98625	9.8
206.99710	2.1
224.98679	0.8
225.00742	11.4
277.21768	1.5
279.23108	0.7
299.04401	3.4
319.17093	0.6
577.26849	100.0
578.27100	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	577.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	14.1
59.01657	3.5
61.00896	3.4
61.98820	13.7
69.61891	3.5
71.01362	7.0
85.02949	4.8
87.26014	4.0
89.02435	5.2
98.20290	28.9
100.86511	3.4
107.82095	3.6
110.66927	4.0
113.02482	4.2
118.89846	4.0
135.08174	8.2
137.27638	3.6
138.49113	3.9
160.45712	4.5
163.64891	3.6
185.11757	9.6
243.17453	6.4
253.09216	19.2
287.16513	26.1
305.17575	100.0
306.17905	4.5
341.23236	4.2
472.19281	13.2
541.26538	17.4
577.24469	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32526	0.4
59.01384	0.7
60.97596	0.5
61.98828	27.7
63.96229	1.0
69.03468	0.6
70.01845	0.4
70.65881	0.8
71.01380	6.9
73.02940	2.5
74.55524	0.4
78.98584	5.6
79.95737	10.3
80.96516	69.6
81.03445	0.7
82.55701	0.4
83.01359	0.5
85.02949	2.6
87.00884	2.8
88.31535	0.4
94.98084	16.1
96.95986	1.3
97.02946	1.4
98.20537	0.6
101.02424	2.7
106.98055	2.3
122.97587	5.7
124.38667	0.4
125.02425	3.2
127.03989	1.0
132.11717	0.4
134.97578	4.6
136.99139	1.7
146.97681	0.6
148.99136	6.4
152.98642	7.7
164.98619	11.9
167.00317	0.6
182.99716	2.0
206.99657	2.4
225.00723	18.3
226.01141	0.5
231.54909	0.4
243.01808	2.1
277.21704	3.1
279.23215	0.8
279.93829	0.4
299.04449	3.3
303.84784	0.4
577.26831	100.0
578.27063	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	577.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04513	0.3
53.53075	0.3
57.03445	0.5
58.58911	0.3
59.01376	5.6
61.98829	2.4
69.69405	0.6
69.69814	1.2
71.01370	1.4
73.02942	1.2
85.02947	1.5
88.98786	0.6
89.02450	0.8
96.67355	0.3
96.96015	0.9
99.92583	10.2
100.92587	0.4
101.02457	0.6
113.02473	0.5
114.93408	0.4
116.92860	100.0
117.01931	1.3
117.92878	3.9
121.19901	0.3
126.90532	2.4
127.48035	0.3
137.02480	0.4
143.99876	0.3
161.04602	0.5
169.12303	0.6
171.10251	4.0
191.02032	0.5
199.13411	0.8
209.02977	0.5
221.11856	0.8
253.09264	3.7
269.04752	0.3
276.73074	0.3
305.17847	0.3
323.18637	0.7
341.23318	9.5
428.32343	0.3
428.79843	0.3
517.31842	1.1
559.27435	0.7
577.29401	0.9
604.32086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03442	5.0
59.01371	3.6
61.02890	0.5
65.41600	0.6
68.99807	0.6
71.01384	6.0
71.30940	1.1
71.52791	0.6
71.89090	0.6
72.99311	1.6
75.00877	1.3
83.01398	1.3
84.02184	1.3
85.02953	51.0
87.00883	5.4
88.98837	1.2
89.02465	2.4
92.42841	0.6
93.65974	0.5
96.96040	1.7
98.20392	0.7
103.00338	1.1
108.06227	0.6
108.54006	0.6
111.00887	13.7
115.00385	0.6
122.83882	0.7
125.14782	0.5
129.01941	4.6
131.38567	0.5
133.01405	3.3
135.04533	1.9
143.03499	1.2
147.02992	3.0
168.34747	0.6
173.00896	2.3
179.03552	0.8
191.01974	19.6
202.91920	0.6
205.03514	5.4
209.03020	100.0
210.03300	1.8
223.04625	0.7
371.06137	8.9
372.06665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.00593	0.7
59.01378	7.0
61.98827	2.1
69.03471	0.5
69.14931	1.4
69.15358	1.7
69.94519	0.3
71.01375	4.5
71.12852	0.3
73.02948	1.9
75.00867	0.4
81.03493	0.6
83.01387	0.8
83.05021	1.0
84.02182	1.8
85.02966	3.2
87.00883	1.0
88.98796	0.3
89.02432	4.4
95.05026	1.1
95.18161	0.3
96.96031	0.9
97.02953	1.2
97.06601	1.9
99.00871	0.9
99.04506	0.5
99.92585	10.0
100.01675	0.4
100.41673	0.3
101.02435	5.0
103.00375	0.4
107.05018	1.1
109.06589	0.5
111.04567	0.5
111.08181	0.7
113.02450	1.7
113.06043	0.4
116.92860	100.0
117.01931	1.6
117.92881	3.0
119.03506	1.2
121.06608	0.7
123.04494	0.4
123.08187	0.6
125.02445	0.6
125.06082	3.6
125.09758	2.3
126.90516	0.5
127.07659	0.7
127.11301	1.9
132.86884	0.3
135.08197	0.8
137.09691	0.8
139.07649	3.8
139.11243	0.5
141.09232	0.6
143.03566	0.6
151.07661	1.2
153.09167	1.2
155.10806	1.0
161.04568	1.8
161.32718	0.4
163.11310	1.1
165.09253	0.6
165.12833	0.6
167.10921	0.4
169.08704	4.7
171.10263	29.2
172.10596	0.4
179.05612	0.7
181.12251	0.9
183.13873	1.4
185.11818	1.3
193.12183	0.4
197.11818	2.1
199.09709	1.4
199.13373	1.0
201.11317	27.7
202.11650	0.5
207.10257	1.3
209.11813	9.9
211.13431	2.5
213.11334	0.7
215.12848	0.6
221.11847	0.8
225.11328	3.6
225.14903	0.9
227.12958	0.8
239.12939	0.6
243.12440	0.9
243.15913	0.5
253.09274	21.6
254.09758	0.4
261.18643	0.9
279.19644	1.1
287.16422	1.5
291.19702	1.0
305.17575	8.6
323.18628	3.1
323.22095	0.6
341.23288	29.4
342.23679	1.1
407.19070	0.8
435.18759	0.5
437.20245	1.3
447.67834	0.4
461.20602	0.6
463.21552	0.4
479.21460	0.6
541.26270	3.0
559.27686	2.7
577.31403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.7
61.98834	1.3
71.01379	0.4
71.40652	0.2
71.40977	0.3
72.54240	0.2
78.95903	28.0
80.96515	0.4
83.05008	0.2
96.96931	0.4
115.48904	0.2
118.73513	0.2
122.98534	0.7
123.46590	0.2
127.07651	0.3
152.99593	4.2
162.44841	0.2
168.04312	4.2
176.15227	0.2
194.05850	0.3
224.06921	11.7
233.22752	0.7
242.07999	2.5
259.20648	0.6
267.38144	0.2
275.20245	0.4
277.21704	100.0
278.22021	5.3
453.57346	0.2
457.22928	0.3
464.37775	0.2
502.29379	88.8
503.29688	6.7
517.25818	0.3
576.26166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21099	0.1
59.01407	0.1
61.98829	100.0
69.29750	0.9
71.01402	0.1
79.95755	0.1
80.96518	1.2
82.54063	0.1
85.02934	0.2
94.98115	0.2
98.19792	0.1
99.45261	0.1
122.97602	0.2
152.98680	0.1
164.98631	0.2
168.69922	0.1
211.19888	0.1
225.00719	0.2
253.09149	0.1
278.22122	0.4
279.22473	0.2
280.22681	0.3
351.55133	0.1
529.94623	0.1
577.26819	2.5
595.29962	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08854	0.2
59.01380	19.9
60.95928	0.2
61.98827	0.5
69.15159	0.9
69.15597	0.9
71.01366	0.2
72.41990	0.2
78.95905	7.4
83.05037	0.2
88.67295	0.2
94.33793	0.2
102.53875	0.2
115.62302	0.2
144.23198	0.1
150.26367	0.2
152.99593	1.6
164.52391	0.1
168.04294	1.7
224.06944	1.5
233.22710	0.5
242.08003	3.2
259.20645	0.5
275.20041	0.6
277.21713	100.0
278.19049	0.2
278.22061	5.3
502.29398	40.6
503.29782	3.3
517.25574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31545	0.2
59.01377	0.3
61.98830	100.0
68.10773	0.2
69.29449	1.6
71.01379	0.7
78.98599	0.6
79.95755	0.8
80.96515	4.6
85.51656	0.2
94.97580	0.2
94.98083	1.1
97.02958	0.3
98.19843	0.4
106.37754	0.2
106.98143	0.3
122.97604	0.4
134.97614	0.3
148.99173	0.3
152.98602	0.5
164.98654	0.8
225.00710	1.3
277.21759	0.5
278.22202	0.5
337.59854	0.2
340.40359	0.2
577.26886	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	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.4
61.98814	0.4
69.50399	0.3
71.01376	2.6
71.52177	0.6
73.02938	0.5
74.92365	0.4
83.01423	0.4
84.95973	0.3
85.02953	0.6
87.00843	0.4
89.02454	2.6
97.80226	0.4
99.00940	0.4
101.02419	2.6
101.70963	0.4
113.02426	1.5
161.04568	0.9
173.36819	0.4
192.47012	0.4
235.08215	1.9
253.09271	12.5
254.09596	0.6
279.23282	100.0
280.23615	6.1
321.47128	0.4
381.68799	0.4
457.45438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98825	2.4
71.01377	0.9
71.52270	0.3
73.02966	0.2
76.10420	0.2
80.63436	0.2
85.02952	1.2
88.98817	0.3
89.02451	0.6
96.96021	0.7
99.92583	0.3
101.02401	0.3
113.02452	0.3
114.93251	0.2
116.92852	0.6
119.04993	0.2
126.90508	100.0
136.00702	0.2
139.65414	0.2
145.09853	0.3
171.10249	0.3
191.02104	0.3
205.12872	0.2
272.99374	0.3
371.29654	0.2
413.21741	0.4
531.28314	0.3
575.27502	0.3
575.36279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01377	2.1
60.99291	0.3
61.98832	3.3
62.79266	0.2
70.81930	0.4
71.01370	1.2
73.02950	0.3
80.96545	0.3
82.02962	0.2
83.01394	0.2
85.02943	1.6
85.81643	0.2
88.98795	1.0
89.02444	0.4
96.96006	1.3
98.20209	0.4
99.04526	0.2
99.92603	0.4
101.02452	0.6
113.02445	0.3
115.92092	0.5
116.24020	0.2
116.92869	1.6
119.05031	0.3
124.09526	0.2
126.90508	100.0
129.01953	0.3
134.03705	0.3
134.89479	0.6
145.30699	0.2
161.02489	0.2
191.01924	0.3
195.60167	0.2
198.82983	0.2
374.27597	0.2
375.27460	0.7
462.68439	0.2
495.16620	0.2
575.15375	0.3
575.24670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18447	1.0
55.37314	1.0
57.21733	1.0
59.01392	4.9
61.98825	4.9
70.78229	2.8
78.95905	100.0
94.37579	0.9
96.95988	1.1
96.96942	6.1
99.92581	15.8
114.94939	7.5
115.92079	16.3
116.92862	9.1
119.98621	1.3
140.01205	2.6
141.96007	13.3
144.69394	1.2
150.98004	2.8
152.99590	60.2
163.89693	2.0
171.00648	2.1
178.88461	8.2
179.89215	24.6
180.90038	7.7
192.00687	1.3
194.87909	1.7
196.89490	33.8
204.92439	1.6
205.93156	4.6
218.91499	1.5
219.92276	1.3
222.93446	1.5
223.94218	2.1
235.91811	7.3
236.92580	2.4
252.92010	1.4
277.21704	15.8
277.95175	4.9
279.96896	1.4
431.21982	5.3
497.14221	4.5
514.14191	6.3
538.16907	11.4
539.17200	1.7
556.17780	10.9
557.17633	1.2
570.15588	2.7
574.18829	42.5
575.19128	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	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
56.91819	0.4
61.98831	5.4
69.22096	1.3
69.22515	2.5
78.95904	51.4
87.88074	0.6
96.96964	9.9
99.82311	0.4
111.03823	0.4
126.26753	0.5
150.97993	0.8
152.99583	45.5
153.99919	0.6
192.64745	0.5
223.00081	1.2
241.01186	23.7
242.01776	0.7
255.23286	56.4
256.23599	2.0
259.02179	0.5
266.78101	0.5
315.04819	7.9
391.22449	4.8
404.93106	0.5
458.30933	0.4
571.28864	100.0
572.29126	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	571.9565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35546	2.3
59.01363	4.2
60.99302	19.0
61.98828	21.3
66.46349	2.2
71.09453	3.9
78.95905	4.1
80.91684	3.2
85.02951	4.9
85.90008	2.7
87.69473	2.3
88.95143	2.1
88.98803	100.0
127.87387	2.6
152.99544	3.4
167.45978	2.2
194.24184	2.4
201.96175	5.1
203.95927	5.1
317.71494	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	572.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98830	100.0
64.79667	0.3
70.48775	0.4
70.49127	0.8
71.01385	0.6
75.00917	0.3
78.95943	0.3
85.02975	0.5
87.04522	0.6
89.02464	0.3
96.96043	0.5
101.02451	0.3
103.84174	0.3
103.95828	0.2
112.78146	0.3
116.92876	0.8
126.90557	0.6
130.08760	0.6
171.10287	0.3
189.45657	0.3
237.32292	0.3
283.98514	0.3
353.50262	0.3
374.27484	0.2
486.36996	0.3
528.28772	0.7
589.84753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
61.98830	100.0
70.94827	1.2
71.01385	1.1
78.95914	1.0
85.02972	1.8
91.78442	0.5
96.96016	0.8
101.02475	0.6
113.68999	0.5
116.92877	1.2
126.90546	1.1
135.04478	0.7
146.08173	0.8
152.99565	0.8
191.01965	0.8
253.09216	0.7
273.17096	3.3
274.17410	4.2
324.25824	0.6
373.25977	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
59.01372	5.2
61.98841	6.1
66.12203	1.1
69.72675	6.6
70.27198	1.2
78.95904	71.1
81.03463	1.5
85.02945	3.2
95.05036	1.7
96.96004	1.9
96.96954	4.8
114.83411	1.5
116.92809	2.9
123.04536	1.9
125.09686	3.2
136.45087	1.2
150.98021	1.8
152.99586	82.8
163.11261	2.7
171.00697	7.4
185.11777	5.3
191.14366	5.4
207.10251	2.2
227.03239	5.7
245.04225	3.2
245.19098	10.6
264.81900	1.4
271.16821	1.7
289.18124	26.1
290.18311	2.6
307.19128	22.9
443.18304	1.7
461.19363	7.1
535.23126	91.5
536.23328	7.6
569.74597	1.5
571.20734	100.0
572.21155	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	570.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.0
59.01373	2.8
61.76181	0.5
61.98830	23.0
63.12048	0.5
68.99551	1.5
69.13240	0.4
69.24635	2.7
69.25065	1.6
71.01369	1.6
78.95889	0.9
79.95760	0.6
85.02949	3.2
86.16294	0.5
88.98798	1.7
89.02451	0.7
96.96011	8.0
98.20271	2.6
99.92580	1.3
101.02419	0.9
108.14858	0.5
112.98559	1.2
115.92063	1.8
116.92858	8.4
122.93140	0.5
139.00354	0.6
149.01381	0.7
149.02460	2.2
164.98276	1.6
165.99045	0.7
175.00375	2.8
177.99005	1.1
185.02243	0.5
189.01901	0.6
197.04561	0.7
199.03981	0.9
203.03503	0.9
215.03386	1.5
229.67323	0.5
243.02943	1.9
245.00946	0.9
259.02481	1.9
271.02448	1.6
273.17160	1.0
286.01196	1.1
287.01968	13.3
314.00702	0.8
315.01443	44.2
316.01752	1.8
329.03159	0.7
330.03781	47.6
331.04187	1.4
345.06122	100.0
346.06378	4.7
475.64178	0.6
507.11404	13.1
508.11807	0.8
527.12775	0.6
570.15540	1.9
571.11310	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	569.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93461	0.3
55.01875	0.5
57.03448	1.6
59.01379	9.2
61.98830	7.8
67.69174	0.3
69.03463	0.5
69.05522	0.3
71.01382	5.6
71.03443	0.3
71.52482	0.4
72.99310	0.3
73.02939	1.8
78.95899	1.7
81.03444	0.5
83.01382	1.2
85.02946	4.1
87.00875	0.6
87.04514	66.1
88.04845	0.8
89.02441	4.5
96.96016	1.6
97.02934	0.5
98.95625	0.6
99.00880	0.5
99.04527	0.4
101.02439	4.3
101.56689	0.3
104.15277	0.3
111.00890	1.7
113.02466	1.8
114.84469	0.3
115.92131	0.3
116.92872	1.9
119.03474	0.3
119.23809	0.3
125.02434	1.4
126.90504	100.0
129.01933	1.0
131.03470	1.8
143.03479	0.5
149.04527	1.4
152.99590	1.3
171.10297	1.0
197.04536	0.5
205.07191	0.4
225.14975	0.4
233.06619	0.5
275.07718	0.4
289.16553	0.6
329.89740	0.4
341.23376	1.0
362.88989	0.3
377.21695	1.0
402.17596	0.4
421.20767	8.5
439.21878	0.9
461.15991	0.3
473.12979	0.4
509.25998	22.8
510.26453	1.9
569.27338	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	569.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03437	1.3
58.00574	1.1
59.01378	24.2
61.98829	11.8
69.03463	1.2
71.01379	19.5
72.74763	0.6
72.99303	1.5
73.02949	4.0
78.95903	37.3
81.03424	0.9
83.01400	3.1
83.05019	1.6
84.02162	0.6
85.02948	9.2
87.00897	1.4
87.04514	100.0
88.04837	1.5
89.02442	13.4
95.01378	1.1
96.96015	1.1
96.96959	2.3
97.02952	1.7
97.06577	1.7
98.19952	2.0
99.00910	1.3
99.04518	1.2
99.92585	0.8
101.02442	11.7
102.09409	0.7
107.04999	0.9
109.67413	0.7
110.98528	1.9
111.00872	3.3
113.02463	4.5
116.92844	2.9
119.03535	0.7
123.04546	0.7
125.02459	2.4
125.09716	2.0
126.90518	2.0
129.01949	1.9
129.05154	0.7
131.03522	6.8
134.03746	0.7
135.04494	2.1
135.08052	0.8
138.08427	0.7
141.09206	0.9
143.03516	1.2
149.04514	3.9
152.99577	34.0
153.09227	0.8
161.04550	1.0
163.11348	1.1
167.01129	0.7
167.23839	0.6
171.00648	9.4
171.10294	3.8
178.09996	0.6
179.03438	1.1
193.12259	1.3
197.04486	0.7
197.11826	4.2
199.09743	1.5
202.04712	0.6
207.10251	2.2
209.02272	2.0
209.11832	15.3
225.11349	1.7
225.14999	2.2
227.03194	3.6
233.06641	1.2
237.14597	0.7
245.04234	1.3
254.11639	0.9
261.18515	0.9
265.50467	0.8
279.19525	0.7
287.16406	1.6
289.16528	1.1
293.08517	0.8
305.17612	15.7
323.18622	3.2
327.08563	0.9
341.23376	3.8
377.21631	3.4
384.34952	0.8
397.13614	0.9
421.20844	9.5
425.15536	1.0
509.25980	65.7
510.26138	5.4
551.22675	5.6
569.27478	14.9
570.27600	1.3
571.19287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.0
56.85662	0.5
57.03448	16.5
59.01366	1.4
66.78045	0.5
71.01392	2.4
71.24804	1.0
72.99312	0.8
73.02939	0.8
73.94744	0.5
83.01382	5.1
84.02163	1.6
85.02950	100.0
86.03270	1.1
87.00885	1.3
89.00330	1.0
95.01352	0.5
101.02441	1.0
103.00406	0.6
106.00592	1.6
109.02998	0.5
110.51270	0.5
111.00880	12.0
115.00401	0.7
121.02959	18.8
123.00891	2.4
127.00401	0.7
129.01942	51.2
130.02296	0.9
136.98817	1.1
138.03233	1.8
139.00385	2.4
139.03952	0.7
147.02997	10.1
153.05571	13.2
163.18921	0.5
166.99835	1.8
173.00903	12.0
181.01410	0.6
182.02197	5.4
191.01993	7.1
192.02220	0.5
197.04539	35.1
198.04924	0.8
200.28494	0.5
203.86179	0.5
209.03018	1.4
211.06154	0.8
220.38005	0.5
222.05309	1.6
237.07669	1.6
265.07181	10.2
309.06119	0.6
327.07214	8.9
351.66486	0.5
362.81754	0.5
371.06107	4.6
389.07211	6.9
390.07581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.1
59.01366	0.4
61.98826	0.2
69.23421	0.4
69.23842	0.7
71.01388	0.2
73.02952	0.7
74.90188	0.1
75.00934	0.2
85.02961	1.2
88.84108	0.1
89.26588	0.1
96.95983	0.2
99.92583	7.6
100.92632	0.2
114.82356	0.1
114.93455	0.2
116.92859	100.0
117.01928	1.7
117.92860	2.9
129.01955	0.4
147.02948	0.2
147.06229	0.1
153.05489	0.2
187.92570	0.1
197.04524	0.6
252.63950	0.2
569.28223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97464	0.5
55.01868	1.9
57.03446	14.9
59.01378	0.9
67.01884	0.8
70.84161	1.4
71.01378	2.0
79.74645	0.5
83.01387	3.8
84.02174	1.9
85.02947	100.0
86.03278	1.4
89.00341	1.3
101.02436	1.3
103.00376	0.6
106.00603	1.2
111.00882	11.2
118.89392	0.5
121.02954	15.4
123.00871	1.4
127.00354	1.0
129.01939	52.6
130.02223	1.0
138.03246	2.3
139.00362	2.0
139.04057	0.7
142.02724	0.6
145.01459	0.6
147.02985	12.3
153.05585	13.7
154.99820	0.6
166.99857	1.5
173.00900	13.0
182.02190	4.1
191.01970	8.4
195.84543	0.6
197.04538	40.4
198.04916	0.8
209.03004	1.7
222.05298	1.7
237.07724	1.8
251.81523	0.6
265.07117	11.5
309.06271	0.7
327.07144	9.3
328.07416	0.6
343.21954	0.6
371.06061	4.3
389.07233	6.6
460.25015	0.6
551.22675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.3
61.98831	14.2
69.03464	3.4
71.01399	8.5
71.51977	2.0
73.02953	1.9
74.47895	1.3
75.00873	2.1
78.95904	3.2
83.88802	1.3
84.00834	1.4
84.29111	1.4
85.02934	9.6
87.00892	1.9
88.98817	5.2
89.02460	4.8
89.91724	1.3
96.96024	4.3
97.02942	7.8
99.92603	4.0
100.36170	1.3
101.02449	7.3
113.02441	4.6
115.92070	2.0
116.92863	8.2
119.03426	1.5
126.90501	6.0
127.34221	1.6
135.04576	1.8
137.09717	2.0
142.02794	1.9
145.02888	1.5
151.37296	1.5
161.02399	1.7
161.04611	3.4
161.09731	2.0
163.11288	10.6
179.10782	5.2
186.55199	1.5
191.02020	1.8
207.10252	48.8
211.13489	1.5
221.11798	1.7
225.11288	1.6
239.12878	100.0
240.13092	3.4
253.09283	26.4
271.15494	54.4
272.15900	3.1
461.05499	1.4
492.22308	5.7
514.52972	1.7
549.20941	2.5
567.11084	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53112	1.4
59.01379	36.6
61.98829	14.4
69.03454	3.6
69.53986	6.7
69.54407	2.4
71.01386	7.4
73.02942	1.6
78.95933	1.5
83.01378	2.9
85.02941	9.8
87.00916	1.7
88.98795	5.6
89.02439	5.8
96.95985	5.4
97.02939	7.8
101.02485	6.6
101.03057	1.4
105.36259	1.3
113.02399	3.3
116.92861	4.5
123.04520	1.5
123.08171	2.7
125.09667	2.4
126.90472	2.4
135.08069	1.4
137.09735	1.7
142.02687	2.1
145.02884	1.7
150.03242	2.9
161.02467	2.2
161.04567	3.2
163.11264	9.8
179.10785	6.2
189.09180	1.9
191.02032	1.3
195.13930	1.9
207.10255	62.6
208.10521	1.6
209.02907	1.5
221.11726	2.0
239.12888	100.0
240.13152	1.9
253.09261	25.6
271.15512	59.0
272.15945	2.0
304.70978	1.4
415.93066	1.4
492.22217	5.2
535.19763	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44372	0.2
57.03443	0.8
59.01377	2.3
61.98832	3.8
71.01368	0.8
71.52833	0.3
73.02959	0.4
77.34182	0.3
78.95898	0.5
85.02942	1.0
87.00901	0.3
87.48172	0.3
88.98836	0.3
96.96009	9.0
97.21749	0.2
101.02451	0.7
113.02473	0.5
116.92860	0.7
125.02453	0.4
126.90508	100.0
153.35719	0.2
154.57622	0.3
165.39384	0.2
167.54456	0.2
294.14896	0.3
435.20087	0.4
507.35312	2.4
567.21997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55521	0.2
57.03442	1.0
57.41204	0.2
59.01385	1.6
61.98829	2.0
62.16142	0.2
71.01366	0.5
78.95908	0.3
81.30107	0.2
85.02925	0.5
96.95459	0.3
96.96014	3.1
98.20029	0.8
98.99036	0.2
99.04537	0.6
101.02448	0.4
116.92865	0.7
125.02475	0.3
126.90507	100.0
161.02472	0.2
196.59361	0.2
251.08044	0.2
273.89139	0.2
507.35580	0.7
567.11945	0.8
567.20331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00990	0.8
55.01871	1.0
57.03448	1.8
59.01382	24.6
59.08628	0.6
61.98838	3.7
67.22455	0.8
69.03480	0.9
69.29263	5.3
71.01382	14.9
72.99310	1.0
73.02964	4.0
75.00856	0.8
77.10455	0.6
78.95919	1.1
79.34215	0.6
83.01391	2.0
85.02956	9.4
87.00874	3.9
88.98781	0.9
89.02433	4.8
95.01411	0.8
96.96000	1.2
99.00870	0.9
99.08148	1.0
101.02444	8.3
113.02451	3.1
113.09704	1.0
116.92865	2.5
119.03490	1.4
125.02459	1.5
129.01964	1.0
133.01401	1.5
137.66769	0.6
139.11412	0.6
151.03998	2.6
156.73790	0.7
179.70384	0.7
191.01985	2.2
197.04584	1.3
211.17072	1.1
218.26013	0.6
237.18585	1.9
238.61340	0.6
239.16512	7.8
255.02899	0.7
255.19611	6.3
257.08240	1.4
257.15057	1.3
257.17590	17.7
281.17740	0.8
286.68112	0.6
299.18515	1.0
383.69254	0.7
399.23886	1.5
401.21738	6.1
417.24887	6.9
419.22855	22.4
431.09808	1.1
461.23975	11.0
462.24103	0.8
479.25131	2.4
503.25101	4.8
521.26013	100.0
522.26343	8.3
565.18475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03447	14.3
59.01366	1.7
61.98819	0.8
66.45214	0.5
68.99796	0.7
71.01391	2.7
73.02931	0.9
83.01402	4.2
84.02153	1.5
85.02947	100.0
86.03291	0.8
87.00868	1.0
89.00317	1.0
96.96033	0.8
99.09116	0.6
101.02425	0.9
103.00378	0.5
106.00609	1.2
111.00874	13.4
117.03439	0.8
121.02956	14.1
123.00876	1.0
129.01942	45.1
132.02176	0.8
134.03723	8.8
135.04506	0.6
137.02454	1.3
138.03226	1.0
139.00360	0.7
147.02986	10.0
149.06094	2.1
153.05594	10.2
154.05911	0.6
160.01662	4.7
161.02466	0.7
166.99823	0.7
173.00909	13.8
174.01277	0.5
175.03995	6.5
178.02698	1.2
182.02223	1.2
191.01967	10.1
191.03639	0.7
193.05046	7.6
197.04549	26.3
198.04890	0.8
207.06613	0.5
209.03047	1.9
217.05148	0.6
223.06218	1.2
261.07687	3.3
265.07132	3.2
323.07721	3.9
327.07339	2.5
328.41782	0.6
367.06808	1.3
371.06195	4.7
385.07562	0.8
389.07254	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.5
57.03445	14.4
58.85606	0.6
59.01383	4.6
60.94529	0.6
69.43965	3.9
71.01385	3.9
73.02940	1.3
75.00901	0.6
83.01381	8.9
84.02169	1.9
85.02947	100.0
86.03273	0.8
86.23423	0.7
87.00913	1.1
88.78819	0.6
88.98810	0.8
89.00359	1.1
89.02457	0.8
96.96021	5.9
99.00866	1.5
101.02461	1.1
103.00331	0.7
106.00572	0.9
107.30815	0.6
111.00878	15.7
117.03477	1.8
121.02948	18.5
122.11481	0.6
123.00863	1.6
123.39293	0.7
125.02468	0.7
129.01944	45.6
130.47763	0.6
133.02950	3.2
134.03732	15.8
135.04559	4.6
137.02449	0.8
138.03177	2.3
139.00400	1.7
139.04004	1.1
143.03514	4.0
147.02991	11.1
149.06041	1.6
153.05580	15.3
156.69557	0.7
160.01648	1.5
161.02423	8.2
162.01324	0.7
166.99811	0.9
173.00912	17.8
174.01372	0.7
175.04007	3.6
175.67538	0.8
178.02713	1.6
179.03445	2.8
182.02234	3.6
191.01993	10.2
193.05048	14.9
197.04546	44.9
198.04944	0.8
209.02974	3.5
222.05391	1.4
237.07713	0.8
261.07697	1.6
265.07098	4.2
323.07758	1.9
327.07190	5.9
367.06717	2.8
371.06049	10.0
385.07605	1.7
389.07330	2.5
403.08704	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	565.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	21.6
59.01377	10.2
60.92012	0.3
61.98540	0.5
61.98831	6.6
71.01379	6.1
72.99297	0.6
73.02950	1.0
75.00864	0.5
76.66528	0.3
78.95866	0.5
79.95733	2.2
80.96500	0.5
83.01392	0.8
85.02947	5.0
87.00863	0.6
88.98803	1.4
89.02435	1.0
90.18546	0.3
96.96008	100.0
97.95953	0.4
99.00888	0.4
99.04517	22.1
99.92588	1.5
100.04881	0.4
101.02440	9.3
102.18000	0.4
113.02450	1.3
116.92864	15.3
117.92856	0.9
119.03479	0.4
123.04531	0.6
125.02440	2.9
129.01904	0.9
135.04504	0.5
143.03528	0.9
147.03018	0.4
150.97028	0.4
161.04550	16.7
179.03418	1.1
191.02000	0.9
193.05049	0.5
202.69780	0.4
209.02901	0.5
222.99138	1.6
241.00206	7.5
283.01266	1.3
305.08810	1.7
323.04404	2.2
325.02136	2.2
361.16818	0.5
373.22565	0.5
385.04431	83.0
386.04742	2.7
394.59955	0.4
505.20972	1.3
523.21466	0.5
565.08594	27.3
565.15881	1.8
566.08795	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0472
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
61.98835	0.2
62.96421	0.6
65.96777	0.2
70.80254	0.2
71.01407	0.2
71.50198	0.2
71.66007	0.3
78.95901	100.0
85.02950	0.6
96.96960	37.6
107.42489	0.2
111.00851	0.6
111.01995	7.9
120.96957	1.7
138.98006	3.1
150.98012	2.9
158.74391	0.2
158.92529	14.8
161.36862	0.3
162.98039	0.4
164.03557	0.4
168.99034	0.4
174.98022	1.4
176.93579	1.3
182.04507	0.2
191.02008	0.6
192.99077	1.3
211.00121	4.9
223.00200	0.4
241.01170	9.0
259.02261	0.4
262.01089	0.3
272.95688	4.8
280.02280	2.0
305.01801	1.1
318.42758	0.3
320.97833	2.5
323.02823	59.9
324.03204	2.0
384.98370	4.1
402.99347	1.4
412.63733	0.3
565.04724	26.3
566.04773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24847	0.3
55.01884	1.5
57.03449	3.7
58.00583	0.6
59.01382	78.4
60.01704	0.7
60.73335	0.2
61.98832	2.6
63.99741	0.3
64.21125	0.3
69.03459	1.2
70.81466	0.3
70.81825	0.8
71.01384	16.5
71.05016	0.4
72.01727	0.3
72.99314	0.8
73.02950	5.2
75.00877	0.6
78.95914	0.4
81.03474	0.4
83.01391	4.9
83.05030	0.8
84.02190	0.6
85.02952	12.1
86.00060	0.4
87.00870	1.4
88.98829	0.3
89.02439	2.3
90.02812	0.4
95.01386	1.4
96.96026	0.8
97.02936	1.4
97.06614	0.8
98.20589	0.2
99.00887	2.3
99.04531	0.5
99.05672	0.2
99.08140	0.3
99.92584	0.3
101.02443	10.9
102.02713	0.3
109.02978	0.5
111.00869	2.1
111.08151	1.1
112.01669	0.8
113.02454	6.4
113.09753	0.5
114.93413	0.4
115.04007	0.7
116.92857	0.6
119.03477	0.7
123.04567	0.3
123.08179	1.8
124.01649	0.4
125.02456	1.7
125.09749	0.4
126.90533	0.4
127.04053	0.3
127.11320	1.0
128.03525	0.5
129.01950	1.1
137.09698	1.7
139.11298	0.4
141.09224	1.0
141.12866	0.8
143.03517	1.4
143.04573	0.6
151.04054	0.4
153.09239	1.5
153.12830	0.9
154.09604	0.4
155.10794	2.6
157.12376	1.1
159.02975	1.0
161.04616	1.7
169.12320	1.0
171.10287	2.8
171.13899	1.4
172.10655	0.8
179.05713	0.3
181.12413	0.3
183.13922	0.7
185.11887	0.7
187.13460	1.7
191.01988	0.4
197.11812	2.8
199.13348	0.4
200.14240	0.6
201.14963	3.1
203.12917	0.6
209.11804	3.4
210.12157	2.2
211.12431	0.9
227.12871	0.3
229.14407	0.5
230.15222	1.3
231.36272	0.3
231.83315	0.3
233.15536	0.3
253.09305	3.9
254.09746	0.5
255.09761	0.7
272.08997	0.3
273.18036	0.2
277.21729	0.3
289.18036	0.5
290.18314	0.4
291.19153	0.6
307.19131	2.6
308.19498	2.5
309.19894	3.6
325.20148	1.2
326.20563	1.0
327.21674	8.4
328.21802	0.4
330.16959	0.3
335.16989	0.3
341.26953	1.1
344.18463	0.8
357.26541	1.1
359.23410	0.6
359.28003	12.9
360.28433	0.8
362.19305	0.6
371.15015	0.5
413.28238	0.3
429.28693	0.5
455.30157	1.0
467.30069	0.5
473.31335	1.1
476.21533	0.5
485.31100	0.7
503.32269	100.0
504.32611	7.8
521.33307	33.0
522.33667	3.0
545.28033	1.3
545.33783	1.3
563.02124	0.5
563.33740	3.5
564.34100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.1
59.01109	1.6
59.01382	20.5
61.09856	0.7
61.98828	8.5
67.64182	0.9
70.64759	1.9
71.01380	9.0
71.05019	1.1
73.02936	3.6
78.95905	1.2
83.01369	1.6
85.02952	7.4
88.98798	1.4
89.02437	8.1
95.01346	1.1
96.95974	1.0
97.06597	2.1
101.02440	8.4
112.05298	2.2
113.02440	2.9
113.09704	0.9
115.07655	2.0
116.92864	3.8
119.03491	2.2
123.08177	1.0
125.09703	1.7
127.07638	2.1
127.11275	2.6
129.08325	1.3
129.09232	14.7
131.03458	1.1
141.09224	5.9
147.02983	0.9
155.10768	19.6
161.04575	3.8
165.12854	1.7
165.67821	0.9
166.80450	0.8
171.10266	28.5
172.10701	1.3
179.05612	2.7
185.11810	37.2
191.01949	1.0
197.11830	33.1
201.11331	2.3
209.11838	5.8
227.07024	0.9
247.20531	1.7
247.86813	0.8
253.09270	34.0
291.19647	18.7
309.20694	40.8
310.21191	1.9
327.21732	100.0
328.22141	4.9
349.10773	0.9
407.19293	1.2
463.25925	1.5
477.48148	1.0
503.32867	1.1
545.29468	5.4
563.30792	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	563.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03442	2.3
58.00583	0.3
59.01377	8.8
61.98824	0.8
62.34886	0.2
69.03466	1.9
69.37848	0.5
69.38259	1.4
71.01379	5.5
71.05008	0.2
72.99310	0.4
73.02963	1.0
73.55404	0.2
83.01391	0.5
83.05042	0.6
84.02157	0.6
85.02949	10.9
87.00893	0.6
89.02444	5.2
91.04006	0.3
93.33447	0.2
95.01390	0.5
95.05038	0.4
96.96008	0.3
97.02946	0.9
97.06589	2.9
97.12401	0.2
99.00880	0.3
101.02442	6.0
113.02451	3.2
116.92844	0.4
119.03487	1.1
119.08675	0.5
123.08130	0.4
125.02385	0.4
125.09718	0.8
126.90501	0.7
127.11266	1.4
137.09732	2.2
143.03473	0.6
155.10789	0.8
155.14391	0.4
161.04543	2.9
165.12845	0.7
166.09972	0.2
167.14389	0.6
171.10262	23.1
172.10629	0.6
177.12828	0.5
179.05620	1.0
181.12373	0.2
183.13892	2.6
185.11826	0.9
193.12294	0.7
195.13956	0.3
197.11874	0.5
199.13449	0.2
201.11354	1.5
202.39757	0.2
203.10898	0.2
209.11835	1.3
211.13382	13.2
212.13588	0.3
213.59669	0.2
221.09802	0.3
221.11813	2.6
229.14423	9.5
235.02583	0.2
239.12862	1.8
247.20685	0.3
253.09268	34.1
254.09618	0.8
257.13882	0.4
291.19623	2.8
309.20795	1.5
327.21738	100.0
328.22095	4.7
359.28036	0.5
503.32156	2.2
521.33203	0.9
563.30756	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	563.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59692	13.2
59.01371	13.8
61.98834	100.0
71.51547	23.6
88.54839	13.8
95.50021	13.3
97.21205	12.3
115.98638	13.2
120.31424	12.9
132.03368	12.2
172.52124	14.2
327.21747	28.0
381.10352	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	563.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75406	0.2
55.01874	0.7
57.03448	2.4
58.00596	0.4
59.01378	9.1
61.98822	0.7
69.03451	2.4
70.22258	0.4
70.22653	0.6
71.01381	6.0
73.02940	1.1
79.64266	0.3
83.01392	0.6
83.05060	0.4
84.02176	0.4
85.02953	14.1
86.03314	0.3
87.00888	0.5
89.02439	5.3
91.03996	0.5
95.01391	0.4
95.05019	0.3
97.02940	1.6
97.06597	1.5
99.00919	0.4
101.02438	5.8
113.02444	2.7
119.03506	1.8
119.08646	0.4
125.09746	0.8
126.90517	1.4
127.11286	1.5
137.09721	3.6
143.03517	0.7
147.08083	0.2
155.10791	0.8
161.04558	3.0
165.12822	0.6
171.10266	35.6
172.10628	0.9
177.12869	0.4
179.05594	1.2
183.13902	1.6
185.11890	0.7
193.12279	0.4
197.11873	0.6
201.11298	2.0
203.10767	0.4
209.11848	1.0
211.13388	8.7
217.81427	0.3
221.11792	1.9
229.14420	6.7
230.14967	0.3
239.12833	1.4
253.09276	33.8
254.09622	0.9
291.19638	2.5
309.20749	1.4
327.21750	100.0
328.22107	4.5
503.32187	1.4
521.33618	0.4
563.30756	4.7
564.30768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2627
Annotation	Morinol B
Peak:m/z	Relative Intensity
50.33335	10.0
51.78990	13.6
59.01377	55.4
61.81219	10.2
61.98825	61.9
63.50320	12.2
71.41386	21.5
85.02971	15.9
109.51192	11.2
118.13979	10.9
126.90483	19.0
203.75266	11.5
291.19669	88.2
315.96890	14.4
327.21893	14.4
563.26031	100.0
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
54.48110	0.7
55.01869	2.3
57.03440	2.9
58.00582	1.2
59.01382	69.5
60.89832	0.7
61.98838	6.1
69.03448	1.6
69.87621	2.2
69.88033	1.2
71.01380	24.9
72.99310	3.3
73.02943	11.6
75.00845	1.0
83.01406	6.2
85.02460	1.2
85.02952	15.7
86.00099	1.9
87.00888	4.9
87.40549	0.6
88.98802	2.0
89.02444	8.4
93.03450	1.0
95.01379	2.4
96.96006	4.8
97.02953	1.8
99.00904	3.3
99.04540	0.9
101.02441	16.9
103.00357	0.8
105.01939	1.3
108.02174	0.9
109.02931	1.2
111.00880	1.9
113.02445	8.4
116.92860	1.7
119.03497	1.7
121.02975	8.1
125.02460	2.1
126.90522	1.3
129.01942	1.3
135.04523	2.0
136.89906	0.7
141.01981	0.7
143.03462	1.2
145.02911	3.4
145.96309	0.9
147.02957	1.0
147.04520	1.4
151.00404	0.7
151.03970	1.2
159.04529	3.1
161.04530	2.2
180.07814	1.1
181.04857	0.7
181.12317	1.0
191.01939	2.0
199.13391	1.4
209.02904	1.0
225.05562	1.0
225.09183	0.8
238.06313	0.9
238.67181	0.8
239.07159	0.9
240.04243	1.6
251.07106	1.0
253.09116	4.0
254.05731	1.4
255.06587	3.1
263.07108	1.9
265.08713	1.7
266.05933	2.0
266.08893	0.7
267.06613	5.3
268.07394	3.4
269.08182	7.3
270.08865	3.2
276.08060	0.9
280.07385	2.9
281.08200	17.6
282.08893	5.3
283.09729	9.0
293.08221	5.2
294.09088	1.5
295.09821	4.3
296.07040	1.2
296.10443	2.9
297.11282	1.6
299.09299	5.6
300.02698	1.3
300.09985	1.9
301.03516	0.9
302.07990	1.1
308.10461	0.9
309.11243	1.8
311.09265	5.8
312.10080	2.3
313.10760	1.9
314.07935	4.7
314.11624	9.5
315.12302	4.6
325.10715	1.9
326.11588	17.4
327.12347	9.6
327.21732	14.9
329.10004	1.0
329.13934	18.8
330.14349	1.2
340.09448	2.1
341.13950	17.3
342.14261	1.0
343.11865	4.2
353.10605	1.0
355.11871	8.0
356.12668	1.3
357.13275	1.4
368.12677	1.3
369.13425	2.2
371.14868	1.0
380.12625	1.1
383.15228	1.0
385.15469	0.9
393.03198	0.8
399.14319	1.1
411.14636	1.2
413.16296	1.0
425.15622	0.8
427.15710	2.5
443.13522	2.0
445.15070	1.2
455.13428	4.3
458.15717	9.2
459.16626	0.9
461.14432	2.2
463.08502	1.1
470.15833	8.8
473.18311	54.2
474.18610	3.5
476.16821	13.9
485.18198	65.4
486.18600	4.3
488.16812	10.1
491.19235	52.9
491.29855	0.9
492.19580	4.0
503.19244	77.8
503.31598	2.3
504.19547	5.6
515.15479	1.3
516.51086	0.9
530.18103	2.4
533.20282	100.0
534.20703	6.0
545.20306	57.9
546.20734	4.8
563.13837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98828	2.5
65.70640	0.3
71.01393	0.7
72.99303	0.3
78.95882	0.5
85.02930	0.9
87.04517	1.1
89.02477	0.3
96.96017	0.6
98.20710	0.6
99.00874	1.1
99.92585	12.6
100.92641	0.4
100.93356	1.2
114.94875	0.3
115.91227	0.6
115.92081	26.6
116.92861	100.0
117.92874	3.5
124.18297	0.3
140.92841	0.9
142.94434	0.6
148.21068	0.3
148.22273	0.3
158.93903	0.6
174.93436	0.7
184.91869	1.9
184.95445	0.4
186.93491	0.4
196.89510	0.8
196.95534	0.3
211.26472	0.4
299.09570	0.6
304.35062	0.4
327.21756	0.5
413.49677	0.3
441.12198	0.7
459.13199	2.5
460.13763	0.5
469.25568	0.4
477.14209	3.0
484.52557	0.4
489.14368	0.6
490.14301	0.4
501.14316	1.7
519.15314	5.1
520.15259	0.7
527.12634	1.2
563.14331	20.9
563.32794	0.8
564.14600	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2132
Annotation	Briarlide P
Peak:m/z	Relative Intensity
55.01873	1.4
57.03455	2.5
59.01378	29.8
61.98815	1.8
69.03447	0.6
71.01379	17.6
71.52014	0.5
72.99299	1.7
73.02943	5.4
75.00851	0.8
78.86899	0.4
78.95879	0.4
83.01382	3.2
85.02947	19.7
86.00114	0.6
87.00867	1.9
88.98816	1.1
89.02426	3.7
95.01387	2.1
96.96029	3.1
97.02939	1.1
98.20451	0.6
98.95573	1.2
99.00868	1.3
99.92607	0.7
101.02437	8.8
103.15910	0.5
108.02177	1.0
109.02948	9.7
110.59126	0.4
111.00895	0.7
113.02453	7.5
115.92037	0.8
116.92835	0.7
119.03482	1.3
121.02940	1.0
123.00868	0.5
123.04506	3.0
124.01675	0.8
125.02461	1.0
126.90487	1.4
128.02299	0.4
128.03529	0.5
129.01927	1.8
131.03473	0.5
137.02394	0.9
143.03439	1.0
144.05786	0.5
147.02963	1.3
147.04510	0.6
149.83542	0.5
150.03188	0.9
158.03743	0.9
159.04488	4.7
160.05276	3.7
160.89619	0.5
161.04535	0.5
161.06004	1.4
163.03951	1.0
164.04771	0.8
168.35556	0.4
172.05231	2.5
173.06071	4.2
174.86255	0.4
175.07605	2.9
177.05589	1.0
187.07672	3.9
189.05579	2.7
190.06264	1.3
191.02011	3.9
191.07054	1.6
203.07034	1.3
205.08665	1.5
209.02977	1.1
241.05052	7.2
255.06664	3.6
263.07050	0.6
265.08780	0.8
267.06757	0.8
269.08075	0.7
280.07413	0.8
281.08090	3.1
283.09641	1.0
293.08020	0.5
295.09711	5.9
296.10498	1.6
298.08368	0.9
299.09222	3.2
299.12183	0.6
309.11542	0.6
311.09378	1.8
311.12720	1.0
312.09897	0.9
313.10815	7.9
314.11398	1.1
323.12762	0.5
326.11505	3.7
327.12347	1.0
329.06833	0.5
329.10236	2.1
329.13922	8.4
330.14389	0.6
341.13892	5.4
343.11826	1.3
344.12625	20.4
344.16812	1.1
345.13150	1.8
359.14975	37.6
360.15298	2.0
381.27090	0.5
401.16080	0.9
455.17035	0.9
473.18192	2.5
488.16556	0.5
493.99094	0.6
503.19217	100.0
504.19449	8.2
521.20245	44.7
522.20428	4.0
554.77643	0.5
563.01343	0.9
563.21106	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	563.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98828	2.5
65.70640	0.3
71.01393	0.7
72.99303	0.3
78.95882	0.5
85.02930	0.9
87.04517	1.1
89.02477	0.3
96.96017	0.6
98.20710	0.6
99.00874	1.1
99.92585	12.6
100.92641	0.4
100.93356	1.2
114.94875	0.3
115.91227	0.6
115.92081	26.6
116.92861	100.0
117.92874	3.5
124.18297	0.3
140.92841	0.9
142.94434	0.6
148.21068	0.3
148.22273	0.3
158.93903	0.6
174.93436	0.7
184.91869	1.9
184.95445	0.4
186.93491	0.4
196.89510	0.8
196.95534	0.3
211.26472	0.4
299.09570	0.6
304.35062	0.4
327.21756	0.5
413.49677	0.3
441.12198	0.7
459.13199	2.5
460.13763	0.5
469.25568	0.4
477.14209	3.0
484.52557	0.4
489.14368	0.6
490.14301	0.4
501.14316	1.7
519.15314	5.1
520.15259	0.7
527.12634	1.2
563.14331	20.9
563.32794	0.8
564.14600	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
56.60498	0.4
57.03463	0.4
59.01376	0.8
66.80222	0.4
70.50061	1.0
71.01375	1.0
74.50017	0.3
83.01373	0.7
85.02952	1.7
93.03465	1.0
96.96014	1.0
98.20560	0.4
101.02416	0.5
102.90798	0.4
109.02935	1.4
117.03471	4.4
119.05025	1.0
124.58423	0.4
128.60330	0.4
133.06590	0.6
135.04567	1.8
147.04507	0.7
149.02422	0.6
159.04498	1.1
161.02472	2.0
161.05994	0.6
163.04059	1.2
173.06015	1.0
175.03973	1.5
177.01918	0.6
177.05582	1.5
179.03461	0.7
189.01852	0.5
189.05556	1.1
191.03494	1.3
197.06012	0.6
197.84628	0.4
203.03464	1.5
205.05008	0.7
215.03568	0.5
217.05164	0.4
221.04510	1.1
233.04588	1.0
241.05069	0.9
251.07133	0.4
253.08751	0.5
255.06636	0.9
267.06607	0.8
268.07339	0.6
279.06519	0.4
281.04590	1.0
282.05270	1.3
283.06052	3.0
295.06110	3.5
296.06897	1.9
297.07678	15.8
298.08121	0.7
299.09286	0.5
307.06158	1.3
309.07736	1.7
311.05594	2.9
313.10770	0.9
323.05655	3.5
324.06488	0.5
325.07108	6.6
326.07629	0.5
328.05917	2.5
329.10217	0.9
329.13910	0.8
335.05734	0.9
337.07053	2.1
341.06833	0.6
344.12610	2.8
351.05142	0.9
353.06644	36.0
354.06934	1.9
355.08218	1.1
356.05380	1.0
359.14999	7.7
365.06662	4.6
365.10876	0.6
379.08322	0.5
383.07700	22.8
384.08029	1.2
395.07657	2.9
397.09354	0.5
407.07449	0.9
413.08786	3.6
414.09354	0.5
425.08813	1.1
437.08707	0.8
443.09790	7.5
455.10019	0.8
473.10776	5.9
474.11328	0.4
485.11057	0.4
503.12216	0.7
503.19363	0.8
545.13019	1.3
563.14044	100.0
564.14380	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	563.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.0
59.01366	1.8
67.01888	1.5
71.01396	1.0
71.50588	0.9
72.99303	0.7
75.00896	0.6
78.95915	1.3
79.65552	0.5
85.02949	22.8
87.00877	31.4
89.02444	0.7
92.83074	0.5
96.95989	1.2
101.02509	0.7
111.00881	89.8
112.01275	0.7
129.01935	5.0
132.90984	0.6
135.04498	0.6
147.03035	0.6
173.00903	4.6
182.78346	0.5
191.01965	100.0
192.02274	1.9
197.00731	0.5
209.03011	10.1
280.67328	0.6
371.06113	1.2
401.33810	0.6
405.65982	0.6
503.16592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
59.01392	2.9
68.97891	1.6
69.44931	6.2
69.45346	3.6
71.01395	3.2
72.99319	2.6
73.62725	1.7
75.00900	1.6
78.95917	3.2
85.02950	39.5
85.03469	2.1
87.00876	20.5
87.92534	3.5
88.98822	6.6
96.96003	6.3
98.19979	2.4
103.92026	6.2
111.00883	76.8
111.75517	1.6
117.01967	2.3
129.01938	7.7
130.47308	1.5
147.02982	3.1
163.70978	1.7
173.00903	6.5
191.01976	100.0
192.02295	3.2
206.97577	1.4
209.03021	51.5
220.25478	1.8
371.06030	3.8
467.91699	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03453	0.9
58.00599	0.6
59.01379	15.5
61.98827	1.9
62.78357	0.4
66.12910	0.3
69.03450	0.6
69.17973	3.3
71.01382	11.9
71.05019	1.5
72.02201	0.4
73.02950	2.8
73.29654	0.3
80.02691	1.4
81.03460	1.5
83.01393	1.5
83.05026	4.9
84.02181	1.9
85.02946	3.6
87.00867	1.7
89.02446	9.9
93.03439	0.3
95.01392	1.1
95.05032	1.6
97.02943	1.2
97.06612	1.5
98.03797	0.3
99.00870	0.6
99.04520	2.2
99.08172	1.4
101.02437	9.9
107.05056	0.4
109.06624	1.0
110.03736	0.5
111.08157	1.0
112.05293	1.8
113.02444	5.1
115.07648	2.4
115.92046	0.4
116.92873	0.4
119.03516	2.9
121.02977	0.7
123.00867	0.4
123.04543	0.8
123.08160	1.1
123.69576	0.3
125.02392	0.5
125.06082	0.9
125.09720	6.5
127.07656	5.6
127.11207	0.5
128.03473	0.3
129.01920	0.4
135.04524	0.7
135.08147	3.1
137.09727	0.9
138.06883	0.8
139.07649	1.1
141.09203	0.9
141.12878	0.6
143.03508	0.9
149.09702	0.4
151.03854	0.4
151.11261	0.4
153.09212	25.1
154.09554	0.6
155.10788	2.5
161.04530	4.1
161.59796	0.3
163.11288	5.6
165.12830	2.8
165.73334	0.3
171.10266	35.4
172.10620	0.9
178.09985	3.9
179.05612	1.6
179.10759	0.9
181.12341	1.0
183.13905	0.6
185.11829	7.6
191.10825	2.6
191.14354	1.4
193.12271	0.5
197.11815	9.4
203.35310	0.3
207.10258	1.0
209.11823	78.2
210.12140	2.4
211.13301	0.4
221.11734	0.3
225.11317	0.5
227.12810	1.8
227.18054	0.3
235.08191	0.9
235.20657	0.7
236.10510	1.3
237.11180	0.6
238.12093	2.9
239.16486	0.8
245.19093	3.2
251.16519	0.7
253.09276	31.8
253.18037	0.7
254.09706	0.9
256.13156	0.8
263.20120	1.2
265.18134	1.2
271.16986	0.8
279.19702	1.5
281.21069	0.6
289.18082	14.3
290.18469	0.7
297.20734	2.4
307.19138	100.0
308.19489	6.5
325.20178	50.9
326.20508	2.8
327.21552	0.4
344.85339	0.4
381.22705	0.6
407.19067	1.4
474.20941	5.1
492.21774	0.4
528.72919	0.3
543.28094	31.4
544.28387	2.9
561.29089	15.4
562.29358	1.4
574.47278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
57.03449	6.2
58.00592	3.0
59.01377	40.9
61.98824	12.5
69.20067	19.3
71.01373	27.0
72.99294	2.7
73.02946	6.6
78.22710	2.7
82.08743	1.9
83.01382	4.9
83.05029	2.2
84.31731	2.1
85.02965	14.4
85.04805	1.8
87.00868	4.7
89.02441	15.8
96.95991	4.1
97.06571	4.4
98.19944	4.6
98.20589	3.9
99.00926	2.5
99.92583	3.2
101.02452	25.4
107.05034	2.3
109.06565	2.3
113.02439	9.1
113.06069	7.1
115.92062	3.8
116.92861	16.6
119.03506	5.5
125.02422	3.0
126.90543	2.3
127.07672	12.7
131.89764	2.4
142.88332	2.2
143.03555	2.4
151.11255	5.6
153.09181	5.8
153.12875	24.6
155.14520	2.4
161.04549	8.7
169.02463	1.8
171.10239	17.2
179.05560	2.7
181.12315	4.6
183.13872	4.7
185.11880	1.9
191.01981	2.8
197.11842	43.8
198.12199	3.7
199.11995	2.0
199.13428	21.4
209.11807	17.5
210.12083	4.2
211.13448	2.0
215.12863	36.5
227.12880	50.6
229.14435	100.0
230.14801	3.6
235.08292	3.4
245.55309	2.3
253.09291	64.2
263.20142	30.6
281.21259	19.6
289.18063	4.3
297.20648	22.2
305.17603	2.4
306.17810	3.7
307.19116	45.6
308.19666	2.6
308.34760	2.3
325.20160	19.8
349.67114	2.1
433.20773	38.7
434.20911	2.9
451.21860	5.1
463.21799	18.5
465.23160	4.8
501.30353	2.5
519.31818	2.3
543.27655	15.5
561.29590	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.9
56.24578	0.3
56.48728	0.4
57.03462	1.7
58.00590	0.9
59.01382	12.6
61.98850	0.9
66.21287	0.3
69.03455	0.7
69.14273	1.6
69.14701	2.3
71.01382	9.5
71.05019	1.9
71.49361	0.4
72.99320	0.6
73.02951	2.6
79.62841	0.3
80.02698	0.7
80.15912	0.4
80.48769	0.3
81.03474	1.7
83.01437	1.0
83.05032	5.2
84.02197	1.2
85.02942	4.0
87.00893	1.2
89.02453	8.4
89.49722	0.4
95.01400	0.8
95.05034	1.9
96.58517	0.4
96.96015	0.9
97.02971	1.2
97.06607	2.3
99.00920	0.6
99.04531	2.4
99.08167	1.1
101.02441	9.5
104.95864	0.4
106.04287	0.7
109.02947	0.7
109.06615	1.2
111.08209	0.8
112.05310	2.3
113.02451	4.2
113.06092	0.5
115.07648	2.7
119.03465	2.1
123.00921	0.5
123.04579	1.1
123.08196	0.8
124.05310	0.6
125.02388	0.6
125.06085	0.9
125.09720	6.2
127.07668	4.6
127.11303	0.8
131.03508	0.6
135.08145	3.5
137.09720	1.3
138.06882	0.5
139.07678	1.1
141.09235	0.8
143.03531	0.6
153.09222	25.9
153.12831	0.6
154.09624	0.8
155.10762	2.2
161.04570	4.2
163.11285	4.4
165.12837	2.8
171.10280	36.7
172.10689	0.9
178.09979	4.2
179.05640	1.5
179.10770	0.5
181.12294	0.7
185.11821	6.8
191.10786	1.9
191.14421	1.4
193.12334	0.6
197.11830	8.0
207.10271	1.0
209.11829	73.6
210.12129	3.0
227.12981	2.5
235.08276	0.8
235.20628	0.6
236.10532	1.5
237.11368	0.5
238.12083	1.9
239.16541	0.7
245.19060	3.1
253.09283	30.8
253.18277	0.7
254.09737	0.6
256.13220	0.7
263.20096	1.3
266.76712	0.5
271.17273	0.6
279.19669	2.0
281.21210	0.6
289.18097	12.5
290.18253	0.6
297.20718	2.8
307.19147	100.0
308.19492	5.3
325.20197	52.1
326.20508	2.8
407.19052	1.6
474.21008	4.7
475.20911	0.5
501.79025	0.4
524.18945	0.5
543.28107	33.1
544.28809	2.8
561.02185	1.3
561.29089	17.8
562.29590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	2.2
57.03438	4.7
58.00579	4.2
59.01382	38.2
61.14119	1.8
61.98832	13.3
71.01385	21.0
71.46635	3.7
73.02924	4.4
82.35902	2.0
83.01394	3.4
83.05000	2.3
85.02956	14.4
87.00872	3.7
88.98833	2.1
89.02434	15.4
96.96008	4.6
97.06541	2.3
99.04495	2.4
99.92538	2.7
101.02445	20.5
109.02950	2.1
109.06548	2.9
113.02460	11.6
113.06080	8.0
115.92067	2.7
116.92867	13.7
119.03489	3.9
121.02946	2.9
125.02435	3.0
125.09701	4.1
126.90497	2.9
127.07645	8.1
151.11252	2.6
153.09206	7.5
153.12860	21.4
155.14394	2.6
161.04562	6.0
171.10265	18.3
175.02385	2.3
179.05612	2.2
181.12358	3.6
183.13881	8.0
185.11832	2.3
191.01917	5.0
193.09601	2.1
197.11832	44.5
199.13402	21.5
201.92291	1.7
209.11839	26.7
210.12183	4.5
215.12895	34.2
219.09984	2.1
227.12881	48.7
229.14432	100.0
230.14758	3.7
235.08275	2.6
238.11792	2.2
245.19107	3.6
253.09267	56.8
254.09633	3.4
257.48993	2.0
263.20160	18.7
281.21222	13.8
289.18121	4.5
297.20767	17.8
305.17438	4.4
306.17889	4.9
307.19119	60.4
308.19717	3.7
325.20172	26.4
386.07516	2.0
398.91965	1.9
398.97116	3.1
399.18033	3.5
427.07257	2.4
431.27637	2.4
433.20721	35.3
451.21863	5.0
463.22040	20.4
465.23373	3.3
484.99976	2.3
543.27869	19.1
561.29010	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	561.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34673	0.2
61.98817	0.2
66.14390	0.1
69.18640	0.8
69.19061	0.6
71.01387	0.2
73.91968	0.2
79.90067	0.1
79.95734	2.8
84.95093	0.1
85.02932	1.0
88.92899	0.2
96.96012	100.0
97.95952	0.3
98.20163	0.8
125.90923	0.2
127.51604	0.1
129.01952	0.2
135.25386	0.2
150.01283	0.2
151.00389	0.3
191.02078	0.3
255.02991	0.6
266.17523	0.2
271.02518	1.4
300.02759	3.0
301.03516	0.7
366.08496	0.2
463.08765	3.5
463.14682	0.3
464.09143	0.2
528.13208	0.2
561.01923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03455	1.6
58.00589	0.4
59.01379	10.6
61.98829	1.0
69.03461	0.8
69.15028	3.4
71.01378	6.7
71.05048	0.4
72.99310	0.5
73.02953	0.7
74.07386	0.4
75.00891	0.5
75.44075	0.3
77.58656	0.3
79.05540	0.3
80.02664	1.7
80.94151	0.3
81.03432	2.1
83.01394	1.0
83.05025	6.9
84.02165	0.6
85.02949	1.7
87.00881	0.9
89.02441	5.6
91.04053	0.4
93.03431	0.4
95.01395	0.6
95.05051	1.8
97.02958	1.7
97.06568	2.2
98.19916	0.6
99.00903	0.5
99.04521	0.4
101.02442	6.7
106.04207	0.5
107.05025	7.3
108.02141	0.4
109.02953	0.5
109.06593	2.6
110.03738	1.0
111.00907	0.4
111.04550	0.4
111.08153	0.4
113.02446	2.6
113.06082	0.9
115.07645	0.4
119.03492	1.1
121.02980	1.7
121.06584	0.6
121.10229	0.3
123.00906	0.3
123.04533	1.0
123.08192	1.6
124.27068	0.3
125.02453	2.8
125.06085	3.1
125.09727	6.7
133.02977	0.5
134.01126	0.3
135.04515	1.1
135.08157	4.9
137.09691	0.5
143.03577	0.5
147.04500	0.5
151.11267	0.6
153.09209	9.1
153.12712	0.4
159.00920	0.4
159.08145	0.3
161.04547	2.8
161.05991	0.6
161.09863	0.4
163.11296	7.0
165.12836	3.2
171.10196	0.5
176.08388	3.5
177.09079	0.4
178.09950	2.9
179.05551	0.5
179.10727	0.6
181.12347	1.2
185.11870	2.2
187.09726	0.7
189.09163	0.6
190.10013	0.4
191.10808	3.0
192.11517	0.6
193.12305	0.6
197.11838	19.5
198.12201	0.7
207.10266	7.4
207.13728	0.3
208.10611	0.4
209.11823	100.0
210.12170	3.7
217.12277	1.0
219.17548	0.7
225.11322	5.1
235.13441	0.4
236.10529	2.3
243.17548	1.9
245.15541	1.6
251.16547	0.6
253.09242	17.8
254.09483	0.4
259.17068	0.7
261.18588	5.1
263.16449	1.0
269.15469	2.0
269.94226	0.4
277.18033	2.0
279.16962	0.3
279.19513	2.2
287.16519	11.3
288.16794	0.8
295.19098	0.8
305.17569	85.0
306.17905	4.3
307.18927	0.5
323.18619	20.5
324.18970	1.2
379.21255	0.5
381.22763	0.4
433.20514	0.4
445.20975	1.0
461.20300	3.8
472.19788	0.4
490.20267	0.7
539.58276	0.4
541.26526	57.7
542.26929	5.2
559.27521	15.8
560.27985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	4.1
59.01375	36.7
61.98819	23.7
71.01382	20.2
71.05009	3.4
71.41799	4.0
82.72569	2.7
83.05016	5.1
85.02951	12.6
88.98792	3.7
89.02420	8.1
95.04981	4.2
96.96030	2.9
97.06585	5.9
101.02422	12.5
107.05022	6.7
109.06639	3.5
113.02402	9.1
113.29665	2.5
115.92096	4.9
116.92853	5.7
119.03490	2.6
121.06611	2.8
125.09743	7.1
126.90482	7.2
135.08177	6.1
141.38127	3.1
146.66264	2.8
149.02408	8.8
149.09737	3.7
153.09174	8.6
163.11279	5.8
171.10294	7.5
173.55711	3.1
179.05511	2.7
185.11792	3.3
195.13849	10.1
197.11807	16.3
203.10585	3.1
207.10181	5.4
209.02914	2.8
209.11809	79.8
210.12122	3.1
225.11223	4.3
235.13338	6.2
237.14958	3.7
243.17522	6.2
247.13315	8.8
253.09204	27.6
261.18463	9.2
265.14417	3.5
279.19492	4.1
287.16544	20.6
295.19119	3.4
305.17581	100.0
306.17694	5.7
323.18585	23.6
383.19528	3.2
460.19901	3.3
461.20242	4.2
497.14334	12.1
541.26514	44.5
542.27039	3.6
559.27039	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	559.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03439	1.5
59.01378	14.8
61.98845	2.1
69.03462	0.9
69.17502	2.1
69.17929	1.8
71.01377	10.1
71.05012	0.6
72.99298	0.5
73.02945	1.8
80.02676	1.8
81.03461	2.2
83.01395	1.5
83.05020	6.2
85.02944	3.4
87.00877	1.4
89.02443	8.0
93.03474	0.8
95.01383	1.0
95.05016	2.0
97.02946	1.6
97.06595	2.7
98.19853	0.8
98.20541	1.5
99.00871	0.9
99.04531	0.7
101.02442	11.4
106.04243	0.5
107.05027	6.3
109.02960	0.5
109.06603	2.5
110.03722	0.6
111.00834	0.4
113.02442	4.2
113.06085	0.9
116.92822	0.8
119.03478	2.9
121.02950	1.9
123.04520	0.9
123.08177	1.0
125.02460	3.0
125.06119	2.7
125.09730	6.8
126.90514	1.2
129.01944	0.5
133.02928	0.9
135.04552	1.0
135.08185	5.5
135.48376	0.4
137.06044	0.6
137.09834	0.4
143.03584	0.6
147.04581	0.7
147.11769	0.5
151.11261	0.6
153.09215	9.7
159.08151	0.6
161.04561	3.5
161.05818	0.6
161.09628	0.6
163.11288	6.7
165.12839	2.6
171.28111	0.4
176.08430	2.6
178.09996	2.4
179.05617	1.6
179.07083	0.4
179.10722	0.8
181.12337	2.2
185.11798	2.0
187.09746	0.7
189.09219	0.5
190.09987	0.7
191.10800	4.1
192.11537	0.5
197.11836	18.8
198.12181	0.7
207.10278	7.7
209.11823	100.0
210.12131	3.6
217.12300	1.9
218.09439	0.7
219.17567	0.6
225.11348	4.6
233.19041	0.6
235.08142	0.8
236.10590	2.2
243.17502	2.1
245.15459	1.3
253.09264	22.9
261.18622	4.7
263.16571	1.1
269.15436	1.9
277.18024	2.3
279.19574	1.9
287.16510	10.8
288.16873	0.6
295.19131	0.9
299.14655	0.4
305.17566	86.3
305.82086	0.4
306.17834	5.1
323.18613	20.0
324.19064	1.0
340.24246	0.5
379.21143	0.8
381.23022	0.5
445.21036	0.8
461.20276	4.2
472.19516	0.8
541.26520	54.9
542.26746	4.3
559.14288	0.9
559.27386	13.3
560.27905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44768	0.1
59.01373	0.3
61.98829	100.0
62.98536	0.2
68.99562	0.1
69.26294	0.8
70.82359	0.1
78.95897	0.6
91.70587	0.1
95.68732	0.1
108.56362	0.1
112.98602	0.2
152.99617	0.3
160.55273	0.1
233.17662	0.1
255.23328	1.6
256.23587	0.5
257.23907	0.2
258.24213	0.2
282.75876	0.1
284.47086	0.1
306.62842	0.1
350.86005	0.1
368.94968	0.1
409.23300	0.1
480.31027	1.2
481.31924	0.1
482.31714	0.2
483.31909	0.8
557.32361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3097
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
57.03468	3.5
59.01382	17.1
61.98833	27.0
63.25736	1.7
68.61159	1.6
69.38214	14.0
71.01390	8.4
72.99309	2.2
73.02977	2.4
85.02973	9.5
88.98800	13.3
89.02464	3.0
95.93784	1.8
96.96015	8.6
99.04480	1.8
101.02443	4.8
116.92879	5.1
125.02512	2.4
126.90547	4.1
147.03107	2.2
152.99707	2.2
191.01964	2.1
286.55380	2.3
521.33405	25.3
521.40784	3.1
522.33990	2.7
557.31097	100.0
558.31555	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	557.2742
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
50.53778	0.7
56.26061	0.6
57.03446	1.9
57.13657	0.6
59.01381	6.6
61.98827	10.0
71.01374	1.9
71.52573	0.6
73.02937	0.8
78.95904	26.1
85.02946	2.8
87.46877	0.8
89.02447	1.0
96.95959	0.8
96.96948	2.7
99.08170	4.6
101.02423	1.3
109.87904	0.7
115.92095	0.8
116.92833	3.0
121.50849	0.7
125.09646	0.9
126.90516	8.9
127.11276	2.3
139.11264	2.2
143.89763	0.7
152.99577	33.8
161.04456	0.7
167.10768	0.7
167.14313	1.3
171.00618	3.6
171.10262	7.2
183.13899	4.1
193.12331	1.5
199.13295	0.7
209.11865	1.6
211.13377	29.7
226.82698	0.8
227.03200	2.1
229.14439	18.1
230.14929	0.9
311.22247	0.8
329.23297	27.0
330.23691	1.4
389.76468	0.8
465.22067	1.1
469.87622	0.7
557.27252	100.0
558.27661	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	557.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01383	2.1
61.98824	2.2
63.81489	0.3
66.98394	0.3
71.01384	0.9
71.52166	0.5
78.95882	0.3
80.91313	0.3
85.02943	1.1
88.98828	0.6
96.96024	1.0
101.02411	0.6
113.30736	0.3
116.92847	0.4
119.73441	0.4
126.90504	0.6
139.04021	0.3
141.52448	0.3
149.02449	1.4
152.99599	0.5
153.01932	0.8
172.01616	0.4
174.03371	0.4
175.00377	3.9
176.05319	0.3
180.00563	0.3
202.02686	0.5
214.02724	0.7
230.02185	1.0
242.02184	1.7
258.01688	3.1
270.01669	3.3
273.03934	0.4
285.00842	0.4
285.03864	1.4
285.97903	0.6
286.01178	12.0
287.01569	0.5
295.99637	0.6
297.00476	1.0
301.03555	3.8
312.02527	0.6
314.00696	10.2
328.22052	0.6
329.03018	36.1
330.03214	1.7
335.22336	2.8
344.05347	32.9
345.05603	1.8
359.07700	100.0
360.08038	5.3
369.98468	0.3
404.07730	0.3
556.25983	0.7
557.26837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01340	0.5
63.96240	1.1
66.74120	0.3
69.03443	0.4
69.18625	2.5
71.01388	6.2
73.02938	1.4
78.98595	4.8
79.95730	8.6
80.96516	58.5
81.03452	0.9
85.02951	2.7
87.00874	2.2
94.98087	13.7
96.96007	0.8
97.02953	1.2
99.00878	0.4
101.02438	1.9
106.98071	2.6
112.44981	0.3
113.02460	0.5
120.51433	0.3
122.97593	2.8
125.02449	2.4
127.03997	0.5
134.97583	3.8
136.99155	1.3
146.97633	0.3
148.99141	5.8
152.98648	5.9
164.98625	10.8
167.00237	0.6
188.88997	0.3
206.99698	2.6
225.00742	16.1
226.01044	0.4
244.46011	0.4
255.23199	1.8
299.04477	3.7
326.59924	0.3
354.24274	0.3
555.28406	100.0
556.28748	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	555.2573
Annotation	Roridin E acetate
Peak:m/z	Relative Intensity
51.36885	0.7
51.88255	0.6
53.37511	0.7
56.25368	0.6
57.03433	1.5
59.01377	8.2
61.98835	7.3
64.52898	0.6
69.14317	4.4
69.14736	2.4
71.01380	2.3
73.02934	1.6
75.29375	0.7
78.90769	0.6
78.95904	30.1
83.05032	1.0
85.02956	1.6
89.02436	1.1
92.62410	0.6
96.95988	1.1
96.96954	1.9
97.06580	0.9
98.03728	0.7
98.20741	1.3
99.04485	1.1
101.02429	1.0
115.07629	1.2
116.92832	2.6
118.39696	0.7
125.09696	0.8
126.90524	1.3
127.07651	1.9
127.11342	1.0
129.09212	9.1
141.09210	5.2
150.64532	0.7
152.99579	37.4
155.10777	5.5
165.12804	1.2
171.00612	3.9
171.10251	7.8
185.11829	24.4
189.52095	0.8
193.12267	0.7
197.11826	22.7
209.11794	3.9
211.13350	0.8
227.03249	3.2
245.04274	1.5
247.20583	1.5
291.19650	7.6
309.20673	7.0
327.21747	18.1
328.22064	0.7
357.26501	2.5
463.20966	2.0
486.80801	0.7
555.25739	100.0
556.26044	8.6
583.50525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2576
Annotation	Roridin E acetate
Peak:m/z	Relative Intensity
57.03447	2.1
59.01382	4.4
60.75580	0.5
61.98825	4.9
69.03442	1.5
71.01382	2.3
71.52184	0.5
73.02966	0.7
78.95902	28.6
78.98806	0.4
79.63229	0.4
80.96508	0.4
83.01378	0.8
83.05012	0.7
85.02953	8.7
88.98827	2.4
89.02438	0.6
92.35510	0.4
95.05033	0.5
96.95999	1.5
96.96954	2.0
97.02927	1.1
97.06587	3.2
101.02444	1.4
113.02465	0.7
115.92083	1.1
116.92859	4.1
119.08679	0.7
125.09708	1.0
126.90504	1.4
127.11301	1.0
137.09732	2.2
150.97981	0.8
152.99582	34.5
155.10786	0.9
163.11293	0.5
165.12804	0.8
167.14407	0.9
168.53172	0.5
168.94688	0.5
171.00648	3.7
171.10263	25.3
172.10591	0.8
177.12846	0.8
181.12355	0.5
183.13901	3.5
185.11824	1.0
186.47366	0.4
191.02063	0.8
193.12257	0.8
195.14082	0.4
197.11903	0.5
199.13333	0.5
201.11214	0.6
209.03027	0.4
209.11870	1.7
211.13390	14.2
213.32443	0.4
221.11841	2.4
224.73766	0.5
227.03258	2.1
229.12305	0.8
229.14427	10.4
239.12927	1.9
245.04227	1.1
247.20749	0.5
278.86905	0.5
291.19586	2.4
309.20624	0.6
327.21750	24.6
328.21967	1.2
352.79227	0.5
463.20938	1.8
555.25732	100.0
556.26123	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	555.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
58.40357	0.5
59.01380	3.1
59.19415	0.5
61.98830	2.8
67.95947	0.7
69.49055	3.6
71.01388	2.2
74.02483	0.7
77.99547	0.5
85.02955	2.1
88.98815	1.1
93.03451	3.1
95.05003	0.8
101.02467	1.0
105.03436	0.8
108.02164	1.9
109.02950	7.9
121.02967	4.1
122.03756	10.7
123.04520	6.8
124.01682	1.2
127.47922	0.5
132.02147	1.6
133.02948	6.1
134.03741	1.2
135.04547	3.6
136.01654	1.0
137.02405	1.7
147.04515	1.6
149.02437	19.8
149.06038	1.3
150.03223	89.6
151.04016	13.3
158.03749	1.3
159.03389	0.6
159.04503	3.7
164.04808	5.5
165.05568	71.8
166.06006	0.8
173.06059	3.8
180.04318	3.9
181.05055	11.2
188.05000	0.5
189.05574	2.1
191.07176	2.3
195.06628	42.3
196.07004	0.9
197.04498	0.9
203.07080	1.7
209.03062	0.8
222.20528	0.6
240.04277	1.3
241.05119	5.9
242.05673	0.7
255.06680	3.8
266.05725	0.7
267.06619	2.6
269.08130	0.8
283.09943	0.8
295.10001	0.7
296.06668	0.7
297.07690	3.6
298.08432	1.6
299.09174	4.4
311.09366	1.6
312.10037	0.7
313.10767	6.5
314.11313	0.9
327.12357	1.2
328.09659	0.7
329.10361	1.8
342.10895	0.7
343.11859	1.4
344.12653	13.3
345.13229	2.7
357.13419	1.5
358.14154	0.8
359.14978	32.3
360.15454	1.7
401.15921	1.6
411.18524	1.0
415.11957	0.6
443.14914	2.2
447.14462	2.0
461.15936	6.6
477.15576	2.8
492.17987	1.7
507.20206	100.0
508.20569	9.3
555.22375	16.7
556.22827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02151	0.5
57.03443	2.0
59.01377	3.4
61.98833	2.5
70.66957	0.7
70.67316	1.1
71.01369	2.5
72.99284	0.8
73.02923	0.7
77.42776	0.5
81.03432	0.6
83.01395	1.1
85.02944	10.0
87.00894	0.6
88.98820	1.6
89.00336	0.7
89.02451	2.3
93.03462	1.9
95.01400	1.6
97.02976	0.6
101.02476	1.4
109.02977	0.7
111.00883	1.2
113.02457	1.9
116.92901	0.6
121.02959	15.0
122.03743	7.2
123.00877	13.1
123.04580	1.1
123.20023	0.6
125.02430	1.0
125.99607	1.1
129.01973	1.9
131.53317	0.5
133.02968	1.6
135.04518	0.6
136.01639	1.0
136.98837	0.5
137.02429	4.3
137.99612	1.1
138.03227	8.1
139.00343	1.0
147.02986	0.6
149.02440	12.1
150.03223	58.7
151.04007	3.6
153.01949	2.0
153.05571	15.2
164.04781	2.8
165.05560	70.5
166.05888	2.0
166.99849	15.9
173.00873	0.7
180.04219	5.0
181.01405	2.8
181.05049	0.9
182.02200	48.3
183.02602	1.2
189.98021	0.5
191.01915	3.5
195.06613	32.4
196.03802	2.6
196.06979	0.9
197.04539	100.0
197.47784	0.6
198.04878	3.0
209.03098	2.6
224.03314	0.9
237.64856	0.5
239.05571	10.3
265.07092	4.2
286.08447	0.6
301.11032	0.8
345.12659	0.6
349.12878	0.9
371.98999	0.5
385.19510	0.6
393.11819	30.6
394.12051	1.9
495.24030	1.6
552.40851	0.7
555.17096	52.7
556.17255	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37078	0.2
54.58107	0.2
55.01886	0.4
57.03451	1.9
59.01381	1.2
63.92902	0.2
65.00333	0.8
67.01892	0.3
68.99817	0.8
71.01376	1.5
71.51693	0.3
72.99290	0.3
75.00886	0.8
78.01109	0.4
83.01387	1.4
84.02143	0.3
85.02950	12.1
87.00863	0.4
87.04495	0.3
89.00330	2.9
89.02451	0.5
91.01899	1.6
93.03503	0.2
94.96845	0.3
95.01388	1.2
96.95998	0.6
97.02953	0.8
99.00890	0.6
101.02459	0.4
106.00611	3.4
107.01408	0.3
111.00910	1.7
112.98821	0.3
115.03972	0.3
121.02955	44.2
122.03289	0.9
123.00874	5.1
127.00373	0.9
129.01939	3.9
136.98784	1.2
137.02438	0.8
137.99605	0.3
138.03223	3.4
139.00316	1.3
139.03998	0.9
141.01918	0.2
147.02985	1.4
153.02074	0.5
153.05571	32.5
154.02673	0.4
154.05922	0.6
154.99870	0.5
159.02968	0.9
165.05548	0.5
166.56992	0.2
166.99843	4.0
173.00929	0.6
177.04028	0.9
181.01413	0.7
182.02202	12.0
183.02945	1.0
191.01952	2.9
195.05083	0.3
196.03775	0.7
197.04541	100.0
198.04933	2.4
209.03032	1.7
211.06044	0.5
223.06064	0.9
237.07579	0.2
254.79219	0.3
265.07172	4.0
297.05978	0.4
313.09256	8.0
314.09387	0.4
357.08276	7.2
358.08618	0.3
375.09335	3.8
389.07220	2.0
393.11832	0.3
449.32565	0.2
478.67838	0.3
495.21454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03456	1.5
59.01376	1.1
65.00339	0.4
65.19629	0.2
67.01884	0.5
68.99815	0.7
71.01379	1.4
72.09851	0.3
72.99282	0.3
75.00880	0.7
77.93501	0.2
78.91848	0.3
79.81450	0.3
83.01382	1.2
84.10862	0.2
85.02948	12.4
87.00893	0.4
87.04519	0.4
89.00325	3.4
89.02439	0.3
91.01879	1.4
95.01386	0.8
96.95995	0.5
97.02963	0.8
97.38384	0.3
99.00893	0.8
101.02436	0.5
106.00591	3.3
106.76579	0.3
109.02981	0.4
110.00092	0.3
111.00896	1.9
112.98800	0.3
113.02512	0.3
115.04004	0.3
121.02956	45.7
122.03294	0.9
123.00887	4.7
127.00415	1.3
129.01935	4.1
136.98805	0.9
137.02451	0.7
137.99590	0.3
138.03224	3.5
139.00380	1.5
139.04010	0.8
147.02977	1.7
153.05571	30.7
153.99190	0.3
154.02818	0.3
154.05930	0.8
154.99892	0.3
159.03000	1.0
165.01889	0.3
165.05492	0.3
166.99861	3.9
168.00702	0.3
173.00903	0.6
177.04033	0.8
181.01395	0.7
182.02216	11.7
183.02957	1.1
191.01967	3.2
196.03682	0.4
197.04543	100.0
198.04871	2.3
201.11342	0.3
207.95381	0.3
209.02878	1.6
211.06097	0.3
223.06224	0.6
239.05493	0.3
251.05418	0.4
265.07184	4.1
269.06564	0.3
279.05261	0.3
297.06064	0.3
299.07755	0.3
313.09280	8.3
314.09589	0.4
339.07965	0.2
357.08258	7.1
358.08615	0.3
375.09351	4.5
389.07321	2.0
555.13806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03448	13.8
59.01382	5.2
65.74989	0.5
71.01389	3.7
71.51360	0.9
72.99310	1.3
75.00876	1.1
83.01373	2.9
84.02174	2.1
85.02951	100.0
86.03286	1.1
87.00886	1.3
88.98781	0.9
89.02442	1.1
96.96011	1.7
101.02433	0.8
103.00366	1.4
107.01382	1.3
111.00877	6.0
119.64209	0.5
121.02958	7.0
123.00871	0.9
124.01662	2.2
129.01942	26.0
136.98842	0.6
139.00383	1.3
139.04005	1.4
147.02998	16.6
152.93181	0.5
153.05569	4.9
166.99884	0.6
168.00641	3.6
173.00900	5.7
179.03497	0.5
182.02182	1.9
183.02995	6.0
191.01973	32.9
192.02237	0.7
197.04553	16.9
209.03023	11.4
211.05942	0.5
211.08147	0.5
223.45865	0.5
248.43394	0.5
251.05608	0.9
262.55313	0.5
265.07251	1.3
276.02927	0.6
313.05771	0.9
327.07175	0.8
340.88031	0.5
357.04581	0.7
371.06021	3.0
375.05438	0.8
389.07245	34.0
390.07379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.1
61.98835	1.4
67.80117	0.6
71.52128	0.9
78.95908	4.2
80.96502	1.9
84.74615	0.5
94.48267	0.5
94.98078	1.0
102.50210	0.5
109.43002	0.6
125.06136	0.5
133.92276	0.5
139.49481	0.6
152.99590	1.1
168.04375	0.8
179.59456	0.5
242.08029	2.1
255.23280	100.0
256.23648	4.5
267.59402	0.5
480.30908	38.6
481.31198	2.9
554.26941	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	555.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50668	0.6
55.01876	2.4
57.03450	14.6
59.01385	2.6
59.90088	0.5
68.99809	1.1
71.01382	3.7
71.39860	0.9
71.40205	0.6
72.99290	1.2
75.00864	1.3
83.01392	3.6
84.02182	2.2
85.02953	100.0
86.03306	1.1
87.00899	1.0
89.00284	0.7
101.02484	0.8
103.00407	0.7
107.01392	6.8
111.00882	7.9
113.70576	0.6
115.00360	0.6
115.45267	0.6
121.02957	6.5
123.00916	1.2
124.01671	5.2
125.02422	0.6
129.01945	38.0
138.03244	1.4
139.00374	1.1
139.04021	5.2
147.02985	16.0
153.05600	5.0
168.00641	4.7
172.25409	0.6
173.00920	7.4
182.02167	3.2
183.02982	24.8
191.01973	35.5
194.83499	0.7
197.04550	13.7
197.06244	1.1
197.13324	0.6
209.03018	10.6
214.74471	0.5
237.07732	0.9
251.05603	1.1
265.07056	4.1
313.05685	1.0
327.07208	4.7
357.04520	1.7
357.08429	0.8
371.06146	2.4
375.05673	4.2
389.07294	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
61.98820	1.0
65.92135	0.2
66.94711	0.2
70.81761	0.6
78.95903	24.2
82.02964	0.2
96.96967	0.4
99.35282	0.2
135.02425	0.2
152.99573	3.0
156.13750	0.2
168.04321	3.4
224.06915	9.0
229.21152	0.2
242.08038	1.7
261.22159	0.4
279.23273	100.0
280.23608	4.5
333.81183	0.3
405.90451	0.3
418.77658	0.3
504.30948	79.9
505.31317	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55777	0.2
59.01381	21.3
63.47500	0.2
70.57490	0.6
78.95907	17.1
87.80214	0.2
96.96949	0.4
97.69769	0.2
122.98538	0.3
152.99596	2.9
168.04315	2.8
224.06929	7.7
242.07983	1.4
253.66574	0.2
255.23285	100.0
256.23608	4.7
396.46927	0.2
480.30936	69.5
481.31393	5.1
554.20142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61072	0.6
57.03433	0.8
59.01376	15.6
61.98826	5.4
69.03437	0.6
71.01379	4.5
71.09637	1.6
73.02939	2.0
78.95882	0.8
82.89064	0.6
83.01374	0.8
83.05027	0.9
83.70696	0.6
85.02949	2.2
89.02442	3.8
95.01331	0.6
96.96000	1.3
99.00909	1.2
101.02451	3.5
105.50909	0.6
113.02409	1.2
116.92860	0.9
119.03503	1.5
122.36445	0.6
123.04561	0.7
143.03584	0.6
152.99551	1.3
153.82875	0.5
161.04541	1.5
193.12321	11.7
209.11810	0.6
225.14940	13.6
235.08075	1.7
253.09282	14.1
257.17569	100.0
258.17926	3.4
553.24066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19445	0.1
59.01365	0.4
61.98819	0.9
71.06441	0.4
78.95901	6.4
80.06188	0.2
93.27727	0.2
96.50341	0.1
128.77452	0.2
152.99577	1.0
168.04294	1.5
192.61726	0.2
224.06990	0.9
242.07976	2.6
261.22177	0.5
267.74460	0.2
279.23267	100.0
280.23627	5.1
504.30942	40.0
505.31171	3.2
545.50232	0.2
553.41168	0.2
554.41553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2422
Annotation	Rubriflorin C
Peak:m/z	Relative Intensity
57.03448	0.8
59.01372	1.8
61.98826	4.9
70.49625	1.6
71.01388	1.7
71.05018	0.6
77.77520	0.5
78.95906	33.6
83.05018	1.6
84.02165	0.8
85.02942	1.5
88.98792	1.0
96.96015	0.8
96.96949	2.8
97.06560	0.7
119.05005	0.7
125.09714	2.5
127.07671	3.9
134.98521	0.7
135.08122	1.0
139.07603	1.2
152.99582	42.3
153.09241	4.2
155.10794	1.2
163.11253	1.7
165.12831	1.1
171.00648	4.9
171.10228	5.3
178.09946	1.5
185.11816	5.0
191.10768	0.7
191.14447	0.8
197.11829	9.7
199.13380	0.6
207.10220	0.7
209.11818	22.8
227.03284	4.0
238.12019	1.7
243.20839	0.6
245.04251	1.3
245.18968	1.2
256.13120	1.2
259.44559	0.5
279.19647	0.8
289.18097	3.1
307.19150	15.2
308.19519	0.7
325.20148	10.6
461.19604	2.1
553.24188	100.0
554.24530	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	553.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01374	2.8
59.76582	0.3
60.99298	0.8
61.98825	1.7
65.00322	1.0
67.01888	0.3
68.99817	1.3
69.03455	2.6
69.53768	2.4
69.60337	0.3
71.01380	1.8
72.99304	1.2
73.02948	0.6
75.00850	0.5
81.03444	2.0
82.36224	0.3
83.01388	1.2
85.02939	2.7
88.98804	3.5
89.00328	3.4
91.01900	1.2
93.03464	0.6
95.01383	2.5
96.96001	2.1
97.02942	7.1
97.03503	0.6
98.20592	0.8
99.00890	1.9
99.04516	0.5
101.02429	1.6
106.00607	3.3
108.02193	0.3
109.02946	1.5
109.21684	0.3
110.00075	1.0
111.00877	1.6
112.98806	1.0
113.02447	1.1
115.92070	0.5
116.92862	0.8
120.99297	0.6
121.02953	48.3
122.00085	0.8
122.03264	0.4
123.00878	12.1
123.01768	0.7
125.02444	7.7
125.99584	1.0
126.90537	0.3
127.00386	3.7
129.01927	0.4
136.41251	0.3
136.98802	1.2
137.02441	10.9
137.99548	1.6
138.03220	6.7
138.04204	0.7
139.00352	2.6
139.04027	2.4
141.01797	0.7
143.03494	1.2
149.02400	0.4
151.00366	1.0
151.03998	0.5
153.01970	2.0
153.05568	36.2
153.99066	0.8
154.02664	0.6
154.05911	0.8
154.99863	0.4
155.03511	1.6
163.04045	0.4
165.01999	0.4
166.02696	0.4
166.99843	9.5
168.00610	0.3
173.26094	0.4
175.06065	0.5
177.01915	0.5
177.05600	0.3
178.99973	0.4
181.01416	8.3
181.04927	0.4
182.02203	28.0
183.02882	2.2
191.01869	0.5
193.05060	0.4
195.02933	0.5
196.03770	3.9
197.04536	100.0
198.04794	2.8
207.03116	0.4
209.04602	0.6
211.06122	1.8
221.04535	0.4
236.06844	0.4
237.03908	0.6
254.04321	1.9
269.06714	2.5
279.08835	0.5
281.06595	0.8
283.08304	1.0
301.03360	0.9
303.21735	1.1
308.05267	0.6
320.21255	0.4
323.07663	2.6
325.05576	2.3
340.07993	2.7
341.08713	1.4
355.10303	26.5
356.10635	1.4
391.21320	0.3
463.08640	1.0
481.84216	0.4
493.26254	0.6
505.19150	0.4
511.27554	0.6
538.13208	0.8
553.15576	34.1
553.29193	1.4
554.16071	2.6
560.68823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
61.98834	1.4
62.96410	0.3
63.81591	0.3
69.57039	1.5
71.01382	0.5
78.95902	28.4
91.26061	0.4
96.96969	0.3
127.07652	0.5
129.52197	0.3
131.72234	0.3
152.99573	4.2
168.04314	4.4
192.65681	0.3
194.05907	0.3
198.03006	0.3
224.06932	10.0
233.22644	0.5
242.08011	3.6
242.10449	0.4
253.21674	1.5
259.20651	0.5
275.20270	0.4
277.21707	100.0
278.22067	5.2
374.16611	0.3
380.54062	0.3
478.29108	0.4
502.29395	88.5
503.29703	7.5
576.62976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39762	0.7
60.26084	0.6
60.99308	16.7
61.17249	0.6
65.00323	0.9
70.63871	0.6
83.01376	0.8
84.92353	0.6
85.02955	1.5
88.98806	88.0
90.30325	0.6
107.01411	1.7
121.02987	1.8
148.01640	0.8
151.00357	7.5
163.00471	0.7
167.03442	1.0
178.99855	3.3
181.55472	0.7
197.04607	1.1
225.53220	0.8
226.02643	1.1
227.03476	1.7
243.02943	5.2
254.02158	1.6
255.02940	12.1
271.02466	30.1
272.03094	1.4
273.03955	0.9
300.02737	69.4
301.03494	25.0
301.06409	0.5
302.03772	1.1
463.08813	100.0
464.09088	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	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76368	0.3
59.01383	1.5
61.98825	1.0
65.26832	0.2
66.61060	0.2
66.91215	0.2
69.18610	1.6
69.19014	0.6
71.01373	0.4
77.15772	0.2
78.95905	6.9
83.05026	0.3
83.45773	0.2
91.26086	0.3
95.21486	0.3
115.75909	0.3
133.16251	0.3
152.99571	1.0
168.04247	1.5
201.10281	0.3
224.06960	0.8
233.22664	0.4
238.24733	0.2
240.79901	0.2
242.08015	3.0
253.63522	0.2
259.20633	0.7
275.20074	0.5
277.21707	100.0
278.22067	4.9
309.20193	0.3
502.29401	47.1
503.29660	3.3
545.10577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2033
Annotation	Carbazomarine A
Peak:m/z	Relative Intensity
54.18741	0.5
56.71286	0.7
61.98823	2.3
62.96408	1.3
64.86206	0.5
67.02648	0.5
71.01363	0.6
77.73170	0.4
78.95902	100.0
80.96478	0.6
96.96017	0.8
96.96964	5.0
98.20264	4.4
98.95596	0.9
99.92577	15.4
114.94933	8.6
115.92076	18.5
116.92096	0.8
116.92855	5.8
119.98560	0.7
125.92868	1.0
137.99605	1.3
140.01149	1.5
141.96019	13.9
149.47238	0.5
150.97980	3.6
152.99583	52.9
163.89662	1.3
164.90456	1.0
171.00592	0.8
177.91423	0.6
178.88428	11.8
179.89209	17.8
180.90053	8.5
181.90822	3.9
192.00677	1.5
194.02255	2.4
194.87787	1.2
196.89478	35.2
197.89516	2.0
204.92322	2.6
205.91133	0.9
205.93155	4.8
206.91394	0.6
218.91591	0.7
219.92369	0.6
222.93468	4.7
223.94110	1.9
234.90959	1.1
235.91815	6.6
236.92619	2.5
255.23299	21.6
256.23709	0.6
259.94061	1.0
277.95248	2.2
409.23627	9.9
411.18323	2.3
419.12668	1.1
435.12277	1.5
450.26077	3.1
475.15530	4.2
491.14923	1.2
492.15796	6.6
493.16263	0.7
509.16049	2.4
516.18213	16.1
517.18292	1.5
534.19305	8.2
535.19354	1.1
552.20325	61.5
553.20178	4.8
553.27850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76594	27.9
55.53920	27.1
59.01363	23.0
61.98831	74.0
70.78553	51.2
70.78893	51.0
78.95906	100.0
85.01494	26.4
122.97641	29.5
126.48718	30.8
141.96008	30.0
149.93701	28.9
152.99594	28.4
181.62531	29.4
196.89404	30.5
279.23193	72.5
437.66107	29.0
551.30231	33.4
552.20477	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60901	0.6
58.16443	0.5
59.01378	9.6
61.98843	0.8
69.35665	1.5
69.36086	2.5
71.01392	2.4
73.02939	0.7
85.02965	0.6
89.02447	2.0
99.00824	0.8
101.02431	2.7
110.06487	0.6
113.02433	1.0
124.40479	0.5
149.09891	0.4
152.91878	0.5
161.04535	1.3
204.74388	0.5
219.64249	0.5
222.07735	0.5
235.08238	3.5
253.09273	10.8
255.23279	100.0
256.23618	4.1
390.45752	0.5
419.25507	0.7
447.84872	0.6
491.31732	0.7
539.25134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2266
Annotation	Orthosiphol D
Peak:m/z	Relative Intensity
51.89108	1.4
51.89930	1.5
59.01374	11.7
61.98829	30.8
71.01379	1.6
78.95907	35.1
83.05017	3.5
85.02959	2.6
86.04840	1.4
88.98798	2.3
96.96014	2.6
96.96983	3.5
98.20655	3.7
101.02447	1.5
107.05024	3.4
109.06586	2.5
116.92898	1.4
121.02963	1.9
125.06097	2.2
125.09741	3.2
152.98380	2.8
152.99590	45.2
153.09201	4.6
163.11336	3.6
171.00636	5.6
197.11823	6.5
207.10202	5.3
209.11821	44.9
225.11357	2.3
227.03346	1.9
236.10516	2.0
245.04271	2.1
254.11575	2.4
287.16446	2.0
305.17569	24.3
306.17966	2.0
323.18613	8.0
459.17392	2.2
551.22644	100.0
552.23279	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	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.5
58.00592	1.8
59.01377	49.3
59.59918	0.6
61.98829	6.0
69.56813	0.7
71.01382	36.3
71.52422	0.6
72.99297	3.4
73.02941	3.4
73.25320	0.5
73.35074	0.6
75.00867	1.0
78.95895	1.4
79.95767	0.6
83.01394	2.4
85.02953	15.6
87.00869	3.1
88.98820	4.1
89.02443	41.1
95.01385	2.5
96.96004	2.2
99.00921	0.8
99.04510	1.3
101.02445	19.5
108.02153	1.7
109.02954	8.2
113.02447	12.7
116.92876	3.4
119.03506	18.7
121.02914	1.6
123.00872	0.7
123.04527	1.9
123.08115	0.7
125.02505	0.8
126.90529	1.5
129.01958	1.0
131.03456	3.4
135.04517	1.5
135.54242	0.7
136.01649	6.7
137.02443	2.2
143.03500	3.2
143.05078	1.3
147.02946	1.0
149.02449	0.8
149.04578	5.5
151.03992	6.7
159.04512	1.9
160.05266	0.8
161.02509	0.9
161.04530	4.1
163.03996	3.0
171.04509	2.2
172.05324	2.5
173.06044	1.7
179.05600	7.7
187.04005	5.5
188.04726	3.4
191.01949	3.7
199.03886	0.9
200.04741	1.1
201.05544	1.8
201.11302	1.3
202.06342	5.0
203.07076	2.5
209.02985	2.0
215.07153	0.8
235.07637	0.8
262.06281	0.9
263.07114	3.1
275.07141	1.3
279.06671	2.3
280.07391	1.3
291.06589	1.8
293.08249	1.4
294.08893	1.8
295.09659	2.3
303.21790	1.1
307.09772	1.4
308.07193	0.7
308.10486	1.7
309.07617	4.8
309.11023	1.3
323.09290	4.0
324.10013	15.5
325.10425	1.0
338.21176	0.7
339.12350	100.0
340.12631	5.3
343.13864	0.9
387.23749	1.3
389.25494	0.9
447.25815	1.1
465.26672	0.8
491.25012	2.2
507.28281	4.9
509.25601	1.0
519.06512	0.9
519.18793	5.3
551.21362	8.1
551.30524	9.2
552.22137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56456	1.1
57.03442	5.7
57.54596	0.9
59.01382	15.2
61.98829	8.5
69.17155	4.5
69.17588	5.0
71.01376	11.3
72.99275	1.1
73.02937	2.4
74.02455	1.0
75.00907	1.0
78.95859	1.0
83.01398	3.5
85.02948	25.8
86.60226	1.2
87.00871	2.0
88.98802	2.5
89.02440	5.9
93.03503	1.7
96.96019	6.6
98.19783	1.7
99.00876	2.0
99.04497	2.1
99.92585	2.2
101.01874	1.1
101.02421	5.3
103.00441	1.4
108.02208	2.2
109.02944	12.7
111.00890	1.6
113.02454	3.5
116.92856	24.2
117.92857	1.1
119.03532	1.1
121.02985	4.0
123.00791	1.4
123.04544	1.6
125.02414	1.7
126.90484	5.9
128.03513	1.4
129.01932	3.9
134.03687	1.4
135.04507	2.3
136.01665	6.8
137.02435	1.6
143.04605	1.7
145.02928	2.3
146.03737	3.3
147.02986	4.6
147.04550	1.4
149.02383	1.3
149.06032	1.4
151.04007	5.6
160.05312	1.5
161.04549	2.5
161.06065	3.0
165.05571	2.4
169.36263	1.2
171.04457	1.6
172.05261	2.1
173.00781	1.3
173.06070	2.6
175.03995	7.4
176.04745	6.2
180.04111	1.3
182.02167	1.8
188.04747	1.4
189.05586	5.3
190.06400	7.1
191.01985	8.0
191.05626	1.7
191.07127	10.4
193.05028	3.7
197.04514	3.7
205.08641	1.4
209.03003	2.9
222.15126	1.1
251.07098	4.0
263.07361	1.2
265.08685	1.1
267.06635	4.4
268.07263	1.6
278.05573	1.2
279.06570	12.2
281.08243	2.6
293.08221	2.2
294.08878	8.9
295.09460	1.4
297.07507	2.8
297.11255	4.6
306.07681	2.3
309.11295	2.2
311.09329	2.3
312.09961	17.2
313.10617	1.1
327.12347	100.0
328.12784	5.8
344.12537	3.4
357.13412	24.4
357.17877	1.2
358.13885	1.5
359.15002	17.4
360.15192	1.3
389.16086	28.4
390.16455	1.6
398.51950	1.1
461.33832	1.1
491.19199	16.9
492.19562	1.6
519.18890	1.6
551.14044	6.3
551.20605	2.1
551.28851	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	551.1772
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01861	1.2
57.03445	4.0
59.01382	7.3
61.98829	1.2
66.56580	0.7
70.06581	1.5
70.06970	1.4
71.01378	5.6
72.99310	1.0
73.02942	1.2
74.42439	0.9
75.00852	0.8
76.54907	0.8
77.58811	0.8
83.01371	2.4
84.02135	1.1
85.02949	34.0
87.00855	0.9
88.98787	4.1
89.02447	2.6
93.03444	2.3
95.01371	1.0
96.96005	3.3
101.02443	2.7
103.00343	1.2
107.04294	0.8
108.02161	1.0
108.80772	0.8
109.02972	1.6
111.00889	3.1
113.02438	2.2
115.36379	0.7
117.03500	1.3
119.05016	1.9
121.02961	11.7
122.03748	6.5
123.04541	8.4
129.01953	7.6
133.03000	4.1
134.03741	85.2
135.03021	0.8
135.04591	3.8
136.01660	2.4
137.02437	10.3
139.03996	4.2
143.03427	0.9
147.02974	6.2
147.04518	2.7
149.02460	11.7
149.04907	1.4
149.06075	20.4
150.03223	54.1
151.04012	27.3
153.05577	2.5
160.01639	3.3
161.04581	1.0
164.04759	3.6
165.05569	59.6
166.05882	2.1
173.00897	2.1
175.03969	4.1
176.04755	3.7
177.01932	1.2
178.02707	41.7
179.03349	1.8
180.04282	5.1
181.05072	17.7
190.31268	0.8
191.01953	12.7
191.03613	1.1
191.07124	4.8
192.04292	2.8
193.05049	100.0
194.05424	2.0
195.06621	24.5
196.06937	0.8
197.04594	4.1
207.06664	1.4
207.10327	0.9
209.02936	3.1
209.04625	5.1
217.04982	1.1
225.11324	1.3
235.06104	15.4
236.06493	0.8
265.07175	1.2
282.08817	3.5
283.09631	0.8
297.11301	1.1
339.12238	1.0
341.10242	3.9
355.10632	1.1
389.07355	9.0
389.12317	82.3
390.12701	3.5
431.13464	3.4
479.21292	4.8
479.59357	0.8
551.17688	43.9
552.17847	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	551.1768
Annotation	Lactucaside
Peak:m/z	Relative Intensity
55.01871	0.9
57.03450	8.8
58.53193	0.9
59.01381	6.2
60.17753	0.7
63.31321	0.8
66.36904	0.8
68.99834	1.2
69.33831	5.4
71.01372	4.3
72.99310	1.7
81.07470	0.8
83.01392	1.8
84.02172	1.3
85.02952	60.6
89.02452	1.8
93.03493	1.8
96.96011	1.6
98.19958	2.0
98.20618	1.3
101.02444	2.0
103.00357	1.2
111.00890	3.7
113.02455	2.1
115.00385	0.8
117.42703	0.9
119.05046	1.4
121.02967	14.4
122.03741	2.7
123.00916	1.0
123.04548	7.7
126.66927	0.8
129.01939	10.6
132.02167	0.9
133.02950	3.6
134.03743	78.9
135.04587	9.0
135.98369	0.9
136.01651	1.1
137.02454	9.1
139.03995	3.4
147.03026	8.5
147.04259	1.5
149.02426	15.3
149.06078	24.0
150.02014	1.9
150.03221	36.8
151.04019	23.9
153.05609	1.5
160.01682	1.7
161.02386	1.0
163.03922	0.9
164.04797	3.0
165.01923	9.5
165.05573	37.3
166.06006	1.2
166.99815	1.1
173.00919	2.6
175.03973	2.9
176.04813	4.6
177.01849	1.3
178.02708	42.6
179.03392	4.6
180.04271	2.4
181.05081	18.6
182.02333	1.0
191.01985	21.1
191.07190	4.1
192.04312	3.3
193.05051	92.8
194.05400	1.1
195.06645	10.2
197.04552	3.8
207.06630	1.9
209.02966	6.2
221.06010	0.9
235.06079	16.2
239.07106	1.1
253.08472	1.1
265.07132	2.1
267.06689	2.6
282.08994	7.6
297.07870	1.3
297.11435	2.5
300.89209	0.9
308.84814	0.9
341.10287	18.1
342.10886	1.4
371.06229	1.6
371.11288	1.1
371.17126	1.3
383.11288	3.2
389.07309	15.6
389.12317	100.0
390.07785	1.6
390.12692	5.5
431.13419	4.5
551.17535	24.9
552.17902	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	551.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
55.17476	0.5
57.03449	12.9
59.01387	4.8
68.99818	0.9
70.83390	1.4
71.01378	2.7
72.99313	0.7
74.71174	0.5
75.00887	1.3
83.01384	3.1
84.02161	3.1
85.02949	100.0
86.03281	1.0
87.00868	1.3
88.35997	0.5
103.00370	2.0
111.00896	4.0
114.07836	0.6
115.00387	0.8
121.02969	4.5
129.01091	1.0
129.01947	12.3
133.02898	0.7
135.04526	4.0
147.02995	19.6
153.05554	3.1
161.02415	1.5
173.00867	3.6
179.03497	1.7
191.01979	39.0
192.02350	0.7
196.19687	0.6
197.04524	7.2
209.03018	9.9
260.76334	0.6
371.06152	3.1
389.07233	44.4
390.07581	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	551.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.0
66.17152	1.0
67.27064	1.0
70.63187	2.5
71.01382	2.5
75.00879	1.2
83.01415	1.5
85.02949	28.7
116.97285	1.1
121.02958	81.2
122.03336	2.0
129.01935	3.5
135.04477	2.1
147.02992	4.6
165.01927	100.0
166.02231	1.6
177.22678	1.0
179.03423	1.2
191.01952	13.2
197.04510	1.3
209.03011	2.2
223.04607	16.1
294.13834	1.1
294.24338	1.2
339.48447	1.2
385.07523	1.3
389.07501	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03447	12.3
59.01379	5.3
68.99815	0.5
70.04104	1.8
70.56213	0.4
71.01387	3.4
72.84284	0.5
72.99319	0.7
75.00870	0.9
83.01398	3.3
83.31826	0.5
84.02180	2.4
84.02617	0.4
85.02950	100.0
86.03281	0.8
87.00878	1.0
96.96016	0.9
98.20259	1.1
101.02438	1.1
103.00381	1.7
111.00884	4.9
115.00393	0.9
121.02949	4.4
123.00865	0.5
129.01941	15.1
130.02234	0.6
133.01387	0.8
133.02921	0.5
134.03725	0.7
135.04532	11.7
147.02998	18.5
150.03256	1.0
153.05562	3.1
153.57214	0.5
161.02420	1.0
163.02394	0.5
165.05544	0.9
173.00883	4.0
179.03510	6.6
182.02205	0.8
191.01976	42.6
192.02237	0.8
193.05046	1.2
195.06644	0.4
197.04553	5.4
200.68105	0.4
209.03020	11.7
265.07248	0.9
293.68869	0.4
315.08618	0.5
327.07562	0.4
353.05209	0.5
371.06238	3.4
389.07245	33.4
390.07535	1.6
551.10760	0.4
567.92938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10331	0.1
56.29404	0.1
57.03451	0.2
57.28022	0.1
57.35302	0.1
59.01350	0.1
69.41616	0.9
71.01373	0.2
71.93256	0.1
78.95900	3.0
79.95738	2.7
85.02937	1.3
96.96012	100.0
96.96903	5.2
97.95984	0.2
98.20361	0.5
101.02426	0.2
112.98756	0.1
129.01962	0.2
147.02940	0.2
154.36198	0.1
154.99843	0.4
170.17062	0.1
183.28165	0.1
191.01979	0.4
209.03125	0.2
270.71921	0.1
303.11096	0.1
320.10928	0.1
344.22253	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	550.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
61.98825	6.4
71.01379	1.4
73.15624	0.7
75.00873	1.4
78.95883	0.8
80.05041	1.4
85.02950	2.3
87.00880	0.8
88.98813	0.8
92.05033	0.7
94.06620	1.6
96.95987	0.8
99.00874	0.8
101.02451	0.9
103.00352	1.0
104.05057	1.0
106.06624	34.3
108.02179	1.0
116.92841	0.8
118.06683	0.6
120.86007	0.5
125.02557	0.7
126.90427	1.1
127.18400	0.6
131.14365	0.6
132.04562	6.4
132.08195	8.8
134.06104	2.6
134.09776	1.1
135.00905	0.6
146.06114	1.3
148.80766	0.6
150.05605	2.5
152.01105	1.1
152.07185	3.2
160.07664	3.9
161.02383	0.6
178.05061	1.2
184.81250	0.7
196.10040	1.4
209.10863	0.7
211.12396	4.8
223.08806	3.2
224.09540	1.5
225.10313	5.8
236.09535	1.0
237.10306	5.5
238.11105	57.6
239.11560	2.8
241.13469	1.7
244.13084	0.6
249.10368	0.7
251.11879	11.9
252.12669	15.7
253.13440	100.0
254.13728	4.7
264.09006	1.2
265.13354	3.8
267.11609	0.8
279.11401	4.7
285.12411	12.2
286.13046	0.6
297.12384	4.7
359.07108	0.6
371.15881	0.9
386.18735	17.9
387.18515	1.5
430.17700	36.6
431.17972	2.0
474.16693	68.8
475.16965	5.5
480.10474	0.7
506.19247	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	549.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01377	8.9
59.62819	0.8
60.99011	1.0
60.99310	15.4
61.98832	8.8
70.11584	0.7
70.67921	0.6
71.01385	2.2
71.26990	0.7
71.51974	1.0
73.02927	1.1
78.95892	1.3
85.02950	3.9
87.00869	7.3
87.67104	0.7
88.98806	100.0
89.02445	6.0
96.95988	1.1
101.02457	1.4
113.02428	1.2
115.92062	2.0
116.92859	5.0
125.02397	0.9
126.90495	1.2
135.04488	0.8
135.68723	0.9
150.30594	0.7
191.01955	1.1
214.87552	0.7
232.41595	0.8
241.72173	0.8
255.54951	0.9
283.18893	0.8
291.15173	0.8
323.38776	0.8
327.21689	1.0
357.17087	3.7
362.51154	0.8
417.19153	2.5
489.33096	1.0
505.26147	1.9
549.22144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93820	0.6
59.01377	8.4
60.99311	13.3
61.98827	5.0
69.52279	0.6
71.01382	2.2
71.21737	1.2
73.02955	0.6
78.95906	1.8
84.44228	0.6
85.02948	2.5
87.00841	0.9
88.00414	1.7
88.98808	100.0
89.02443	7.2
90.41433	0.7
96.95995	0.8
99.92599	1.0
101.02477	0.8
113.02435	0.8
113.50838	0.6
115.62945	0.7
115.92052	1.5
116.92884	5.0
126.90495	0.8
149.51064	0.6
152.99532	0.9
215.81587	0.7
489.34439	2.3
505.28394	1.5
513.14972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.6
57.03453	8.7
59.01372	15.1
61.98814	5.7
68.99801	1.6
69.42047	3.3
69.42464	6.8
71.01389	10.7
72.99286	2.4
73.02928	2.3
75.00862	2.5
76.67355	1.3
83.01385	21.3
85.02947	42.3
87.00845	3.2
89.00336	2.1
89.02422	2.9
96.96008	37.8
96.96928	1.7
98.95605	14.8
98.96281	2.5
99.00863	6.4
99.77513	1.3
99.92583	46.6
100.93341	2.9
101.02428	3.5
103.00327	2.1
106.00567	2.8
109.02861	1.3
110.56246	1.2
111.00889	16.3
113.02462	2.2
115.03972	1.3
115.92078	40.9
116.92859	100.0
117.03456	16.5
117.92835	2.2
119.05023	34.9
121.02950	31.5
123.00832	4.0
125.02393	3.4
126.90517	6.0
127.00373	2.0
129.01939	13.1
134.03716	2.0
136.98758	1.5
138.03195	2.5
141.01866	1.8
141.93628	2.4
142.94417	2.2
143.03488	20.2
145.02950	91.1
146.03252	2.6
147.02948	5.8
147.04430	1.4
153.01889	1.4
153.05571	20.1
157.06523	1.3
158.60632	1.3
160.47980	1.1
161.04556	1.9
163.04005	38.7
166.99847	4.3
169.93095	1.3
170.93886	1.5
173.00888	12.6
174.35094	1.2
175.03970	1.5
177.05429	1.6
180.65378	1.2
182.02226	10.6
183.04466	1.5
191.01974	14.7
197.04541	54.9
203.03502	2.4
205.03465	3.5
209.02899	6.7
231.06519	1.8
261.77512	1.2
281.04703	1.9
307.08069	5.1
309.07758	2.9
311.06049	2.0
325.07147	1.9
336.06573	1.7
351.07257	6.6
352.05954	1.9
353.06815	4.0
371.06244	5.1
378.07202	1.7
379.08240	1.5
387.10947	2.8
403.08844	8.5
404.18329	1.2
459.38016	1.3
469.11646	11.1
470.11557	1.8
489.15704	1.5
505.08960	1.3
513.10864	10.6
549.12653	55.5
550.12921	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	549.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.2
58.00570	0.6
59.01382	14.2
59.21399	0.7
61.98834	6.0
65.00333	1.0
71.01384	6.4
71.52390	1.1
72.99297	1.3
73.02940	1.2
77.83066	0.7
83.01404	1.6
85.02957	22.0
87.00867	1.5
88.98792	1.2
89.02444	6.4
92.27182	0.7
93.03486	0.9
93.11258	0.8
96.96026	10.9
97.60144	0.7
98.95642	1.8
99.00894	1.3
99.04515	1.0
99.92596	6.2
100.96099	0.7
101.02448	4.4
103.00304	0.7
106.06619	1.0
107.01413	2.4
108.02187	1.4
111.00906	1.7
113.02468	2.5
115.92090	6.0
116.92860	15.6
119.03493	1.6
121.02959	2.4
122.06079	0.8
126.90510	100.0
129.01921	2.9
132.04576	1.1
134.03783	1.0
134.06091	6.2
137.02434	1.2
143.04654	0.9
147.02953	3.8
151.00401	10.1
154.99812	0.8
158.02458	1.8
163.00417	1.8
175.04042	1.1
178.99812	4.8
190.05081	9.5
191.01981	5.8
193.05064	1.0
193.69475	0.8
199.04074	1.1
209.03017	3.3
211.03958	1.1
222.07741	3.1
226.02731	1.0
227.03563	2.6
243.02939	8.0
254.02222	1.5
255.02969	21.4
256.03494	1.0
271.02466	45.3
272.02951	2.4
283.02405	1.4
298.01233	0.8
299.01694	1.0
300.02740	83.4
301.03476	35.3
301.06497	0.6
302.03699	1.5
306.07751	1.2
309.00327	1.4
309.08676	1.7
311.10513	1.1
314.12326	1.4
315.09656	1.1
326.00647	1.7
327.01514	2.5
328.70813	0.8
337.11853	4.6
343.04623	0.8
369.10712	1.3
369.14786	1.9
377.69119	0.8
387.11108	1.9
429.12878	0.9
463.08893	2.7
469.11746	1.4
489.06729	0.9
489.15277	2.7
505.09863	68.7
506.10007	4.8
513.10419	1.3
517.06055	2.2
517.18298	11.4
521.09583	1.3
527.02161	1.0
549.12946	7.1
549.20850	14.8
550.20740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.01112	0.6
59.01379	8.8
61.98831	2.4
71.01377	4.5
71.52105	0.7
73.02948	1.1
76.73613	0.4
78.95914	0.5
83.01396	0.7
85.02949	1.6
87.00878	0.5
89.02444	4.9
95.08659	0.4
96.54191	0.4
96.95963	0.4
97.02920	0.5
99.00875	0.6
101.02454	4.5
113.02439	2.3
119.03491	1.4
125.09701	1.2
127.11274	0.5
127.51762	0.4
129.09224	0.7
139.11249	0.6
150.10513	0.5
161.04547	2.0
163.11272	3.7
165.12886	0.6
167.10826	0.6
168.11566	1.0
169.12323	0.5
179.05563	1.0
182.13133	0.8
191.01978	0.5
197.11742	1.0
205.75301	0.4
211.13419	1.4
249.22183	3.2
253.09270	23.0
254.09579	0.6
293.21216	68.9
294.21545	3.8
309.20615	0.5
310.21115	0.4
311.22263	100.0
312.22620	5.2
345.74838	0.5
439.28683	0.6
457.29437	0.5
547.32037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08878	0.2
55.01875	0.9
57.03453	1.9
58.00609	0.2
59.01380	100.0
60.01705	0.5
61.98829	1.8
63.27931	0.2
69.03455	0.6
71.01383	11.8
71.52255	0.2
72.01660	0.2
72.99321	0.8
73.02950	3.3
75.00869	0.2
75.83286	0.2
78.95897	0.4
79.10245	0.2
81.03434	0.3
83.01388	4.3
84.02192	0.2
85.02952	8.5
86.00140	0.4
87.00893	0.7
89.02457	1.0
91.22930	0.2
95.01373	1.4
97.02952	0.9
99.00877	2.3
99.92622	0.2
101.02446	8.0
111.00882	1.5
112.01678	0.4
113.02451	6.1
113.53941	0.2
115.04016	0.7
115.92154	0.2
116.92877	0.5
123.04475	0.2
124.01639	0.4
125.02420	1.1
127.11265	0.2
129.01933	0.4
130.99213	0.2
141.01952	0.3
143.03494	1.5
159.02940	0.5
161.04584	2.2
169.12369	0.4
185.15495	0.6
193.79036	0.2
216.39500	0.2
253.09346	0.6
255.09569	0.2
279.23297	2.9
291.19647	0.6
293.20438	0.4
295.26364	0.5
295.51523	0.2
297.24332	1.7
307.26587	0.2
309.20782	1.0
309.24042	0.3
310.21017	1.4
311.21381	1.4
312.70728	0.2
323.22134	0.3
325.27475	0.7
343.28503	6.9
344.28998	0.4
355.28323	0.3
439.30618	0.8
451.30698	0.4
457.31616	0.5
469.32129	0.2
487.32764	51.6
488.33047	4.3
505.33832	26.4
506.34186	2.0
525.06946	0.2
529.94714	0.3
547.30304	0.6
547.34906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83520	1.3
57.03449	9.9
59.01379	42.6
61.98834	22.4
69.03451	1.7
70.92859	3.3
71.01386	23.2
72.99304	3.7
73.02941	5.8
78.95905	2.6
79.95727	4.5
83.01382	4.5
83.99678	1.4
85.02949	23.4
87.00864	6.6
88.98801	4.2
89.02440	7.0
95.95224	4.1
96.96011	19.3
99.00880	2.7
99.04513	5.9
99.92577	3.3
101.02439	14.1
113.02428	6.7
115.92083	2.6
116.92852	10.1
119.03518	2.3
121.02995	2.4
125.02376	2.0
126.90510	3.5
129.01941	5.5
133.03030	1.8
135.04546	7.4
147.03000	2.1
148.59836	1.8
152.99564	1.9
161.02435	2.8
161.04559	8.1
179.03459	5.8
179.05371	1.9
191.02049	2.7
209.02986	1.6
219.17522	6.4
234.83582	1.5
237.18631	3.7
255.19675	3.3
262.15048	1.6
263.16391	3.1
267.02972	1.8
270.87750	1.5
281.17554	14.6
282.17365	1.5
297.07266	5.1
299.18698	15.9
401.03937	18.0
401.08829	2.5
415.17737	1.7
443.22897	16.1
461.23813	27.6
462.23965	2.1
503.24976	100.0
504.25626	8.0
547.28394	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	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03452	5.2
58.00596	1.9
59.01382	43.0
61.98824	3.3
69.03466	0.8
70.36547	2.0
71.01384	49.5
72.99313	3.8
73.02947	7.1
73.49571	0.6
75.00858	1.4
82.42706	0.6
83.01399	5.3
83.28491	0.6
84.02170	0.8
85.02951	37.5
86.03265	0.6
87.00887	4.0
89.02448	38.6
90.02760	0.7
95.01395	8.7
95.05045	0.7
96.88583	0.6
96.96021	3.7
97.02958	1.9
98.20171	1.3
99.00880	5.7
99.04540	0.8
101.02444	30.1
101.03111	1.5
107.81236	0.6
108.05821	0.6
109.02949	1.5
111.00946	1.1
113.02454	46.7
113.06173	0.9
115.03976	0.6
119.03505	14.3
125.02457	2.0
128.03542	0.6
129.01950	2.8
131.03522	1.7
136.05324	1.2
138.06865	4.1
139.07616	1.7
143.03514	7.2
147.03021	1.6
149.02432	1.0
149.04474	1.3
151.07684	4.4
152.08441	8.7
153.09216	18.7
159.02992	1.4
161.04555	25.8
161.05899	1.5
161.09787	0.9
162.04788	0.8
163.11363	1.2
167.60622	0.6
175.02499	0.9
179.03503	1.1
179.05614	12.4
181.47874	0.7
187.11256	1.2
190.10056	0.9
191.01965	5.5
205.12346	16.2
209.03038	2.4
221.06638	1.5
223.13403	5.3
239.03400	0.9
255.94513	0.7
263.07761	0.9
323.09802	9.0
341.06805	0.8
385.07941	0.9
385.18719	16.1
386.18710	1.2
395.15854	0.8
456.48004	0.7
547.23969	100.0
548.24268	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03447	0.8
58.00593	0.2
59.01379	6.0
59.32165	0.2
59.61675	0.1
61.98835	0.4
63.70234	0.2
64.80470	0.2
69.03442	0.2
69.54418	0.8
71.01379	4.4
71.05026	0.2
72.99271	0.2
73.02951	1.1
75.00858	0.2
80.02673	0.2
81.03467	0.2
83.01389	0.4
83.05031	0.4
84.87532	0.1
85.02940	1.2
87.00891	0.8
89.02447	4.0
93.03497	0.2
93.07112	0.3
95.01385	0.5
97.02966	0.4
97.06603	0.4
98.20418	0.6
99.00892	0.4
99.08161	0.2
101.02437	5.0
103.04012	0.2
109.06602	0.6
111.08161	1.9
113.02454	2.1
119.03503	1.2
120.05752	0.2
123.04481	0.2
123.08195	0.2
125.02418	0.3
125.09692	1.1
127.07657	0.2
127.11280	1.4
129.02005	0.2
129.09198	0.4
129.26347	0.2
131.03558	0.3
137.06070	0.3
137.09726	0.4
139.11331	0.3
141.09222	0.3
143.03491	0.4
149.09692	0.3
151.07660	0.2
151.11314	1.0
153.09207	0.5
153.12846	3.8
155.10770	1.3
157.05096	0.2
161.04590	1.8
161.09708	0.2
163.11365	0.2
165.09225	0.2
165.12842	0.7
166.09959	0.2
167.10747	1.7
168.11583	0.2
169.12334	0.7
179.05588	0.5
179.10789	0.7
179.14391	2.0
181.12334	3.6
184.56314	0.2
189.12865	0.2
193.15965	0.8
197.11806	2.8
199.13411	1.0
201.90921	0.2
207.13925	2.2
211.32010	0.2
213.14908	0.3
215.12917	0.9
217.15909	0.2
225.77019	0.2
226.12032	0.5
227.12898	1.2
228.13673	1.0
231.17586	0.2
235.08185	0.5
237.22157	0.3
241.14464	0.4
245.19104	0.3
247.20677	3.7
253.09280	16.6
254.09561	0.5
263.20166	0.7
265.21774	0.9
273.18600	2.5
274.18964	0.2
281.21140	1.3
283.25983	0.2
291.19653	27.6
292.19958	1.4
309.20691	100.0
310.21036	4.7
311.22333	0.4
383.24237	0.2
460.85233	0.2
545.29626	18.1
546.30182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03456	0.7
58.00631	0.3
59.01375	6.7
59.01653	0.5
61.98840	0.4
71.01382	4.3
71.29067	0.4
72.99318	0.3
73.02959	1.2
83.01402	0.6
83.05019	0.7
85.02969	1.8
87.00883	0.7
89.02444	4.0
95.01386	0.4
97.06615	0.6
99.00922	0.3
101.02448	5.5
109.06623	0.4
111.08168	1.4
113.02433	2.4
113.09753	0.8
115.07642	0.5
119.03489	1.3
127.11317	0.9
137.09673	0.3
139.11360	0.3
141.09247	0.7
143.03549	0.4
151.11234	0.4
153.09309	0.3
153.12817	2.2
155.10777	0.4
161.04593	1.8
165.12865	1.5
167.10780	1.2
167.14384	0.4
177.12936	0.3
177.16733	0.3
179.05690	0.7
179.10793	0.4
179.14429	1.2
181.12323	3.1
193.12370	0.6
193.15999	0.5
195.13837	0.6
197.11870	1.6
199.13397	0.5
207.13841	1.7
211.13385	1.1
213.14874	0.6
215.13017	0.3
221.15454	1.1
226.11981	0.3
227.10352	0.3
227.12846	0.4
228.13559	0.3
235.08170	0.4
240.13435	0.4
247.20668	4.2
253.09285	18.0
254.09647	0.8
263.20145	0.6
265.21738	0.7
273.18570	2.2
274.19284	0.3
277.72284	0.3
281.21198	1.4
291.19662	29.3
292.20050	1.4
309.20703	100.0
310.21057	5.2
311.22177	0.4
313.11002	0.3
355.67526	0.3
448.41373	0.3
476.22467	0.3
545.29626	16.9
546.29688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94845	0.2
55.01889	0.4
57.03453	1.1
58.23205	0.2
59.01379	8.7
66.70553	0.2
69.03465	0.6
69.16772	1.9
69.17189	0.8
71.01382	5.2
71.05037	0.6
72.99316	0.4
73.02954	0.9
80.02678	0.3
81.03481	0.5
83.01399	0.6
83.05032	0.4
85.02961	1.2
87.00889	0.7
89.02451	5.9
91.04027	0.3
95.01405	0.7
95.05012	0.3
97.02423	0.3
97.02975	1.0
97.06594	0.6
99.00927	0.4
101.02441	6.8
109.06624	0.4
110.03764	0.5
111.04596	0.3
111.08135	0.5
113.02456	2.7
119.02788	0.2
119.03474	1.4
123.04513	0.4
123.08185	0.4
125.06091	0.6
125.09749	1.5
131.03487	0.3
137.09724	0.4
141.12866	0.8
143.03517	0.7
149.04630	0.4
151.11325	0.3
153.12775	0.5
161.04543	2.5
161.09735	0.4
162.10489	0.3
163.11279	3.9
165.09178	0.6
165.12837	6.0
166.09969	0.4
167.14409	0.4
177.12903	0.4
179.05617	0.9
179.14441	2.3
181.12329	1.8
191.14359	0.4
191.32307	0.2
193.15973	2.6
197.11905	1.6
197.15553	0.4
207.10213	0.4
209.11819	1.9
219.17482	0.3
223.13382	3.0
229.19511	0.3
247.20657	8.2
247.23157	0.4
248.21021	0.4
253.09274	25.8
254.09618	0.8
273.18576	2.4
291.19647	84.5
292.19983	4.6
309.20691	100.0
310.21024	4.3
467.89944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03448	0.9
57.77422	0.2
58.00589	0.3
59.01379	7.6
59.38000	0.2
69.03461	0.6
69.17209	0.2
70.53424	0.5
71.01379	4.8
71.05016	0.3
73.02948	0.8
80.02686	0.4
81.03457	0.4
83.01395	0.7
83.05003	0.2
85.02955	1.7
87.00852	1.0
89.02448	5.8
89.03020	0.3
92.41144	0.2
95.01393	0.5
95.05034	0.3
97.02931	1.0
97.06587	0.6
98.03738	0.4
101.02438	5.6
109.06610	0.6
110.03777	0.3
111.08163	0.4
113.02445	2.5
113.06167	0.2
119.03485	1.7
119.27799	0.2
123.04520	0.4
123.08168	0.6
125.06105	0.5
125.09689	1.0
127.54346	0.2
131.03505	0.2
135.08194	0.4
137.09705	0.3
141.12895	0.5
143.03485	0.6
153.12827	0.4
161.04541	2.5
161.09711	0.2
162.06583	0.2
162.10443	0.4
163.11282	3.4
165.09232	0.6
165.12849	6.4
166.10016	0.4
166.13216	0.2
167.14346	0.3
171.10219	0.3
177.12875	0.4
179.05621	1.0
179.14417	1.8
181.12361	2.0
182.13098	0.2
189.12906	0.3
191.14462	0.3
193.15973	2.1
197.11797	1.3
197.15401	0.2
207.10280	0.5
209.11819	1.4
217.15935	0.3
219.17555	0.4
221.11818	0.3
223.13358	1.8
227.66035	0.2
247.20679	6.6
253.09285	26.5
254.09627	0.7
255.17577	0.2
273.18640	2.2
291.19650	81.6
292.19989	4.4
309.20697	100.0
310.21082	5.4
347.25592	0.2
432.11752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01380	9.9
59.52195	0.5
60.22760	0.6
60.99010	1.0
60.99306	16.2
61.73933	0.5
61.98830	9.2
67.17629	0.5
71.01363	3.1
71.51937	0.8
72.99300	0.5
73.02940	2.3
78.95907	0.7
79.95675	0.6
82.13759	0.5
83.01362	0.9
84.94255	0.6
85.02955	3.8
86.40917	0.5
87.00871	0.8
87.04527	0.9
88.98803	100.0
89.02445	1.9
89.06087	2.1
96.96019	4.7
99.04521	1.0
101.02454	2.4
111.00913	0.7
113.02457	1.6
114.96185	0.6
117.05589	0.7
119.03487	1.0
121.02948	1.9
125.02411	0.9
129.01955	1.1
138.03304	0.5
143.03467	0.8
147.03011	0.7
147.04422	0.6
149.02414	0.9
157.83862	0.5
161.04530	1.5
175.00333	0.6
177.01921	1.4
192.00578	0.8
207.03029	1.0
237.07701	3.9
287.01987	2.1
315.01489	7.8
330.03751	7.1
332.04480	0.6
335.05847	0.7
345.06137	12.6
346.06497	1.3
347.06818	0.9
425.09018	0.6
507.11511	2.1
545.11627	0.7
545.19135	1.8
545.26135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04030	3.9
56.01010	4.0
57.03430	3.8
57.38766	3.7
59.01379	54.5
61.98833	49.2
71.01385	15.9
71.52277	5.1
72.99285	4.1
83.01385	5.9
83.05068	4.0
85.02961	13.5
89.02441	9.0
96.96022	6.6
99.92625	3.8
101.02415	9.2
109.02831	4.7
111.08152	5.4
113.02484	4.7
115.92088	6.8
116.92876	6.7
121.02940	11.2
122.03760	9.5
129.05482	4.4
149.02440	26.8
150.03247	85.1
151.11275	5.3
153.01929	13.4
157.08675	11.4
165.05568	97.5
166.06001	5.2
180.04234	5.7
189.01768	4.0
195.06631	42.8
253.09326	29.8
273.07675	5.0
291.19666	9.9
305.10339	8.2
309.20740	100.0
311.22287	14.4
337.76941	4.1
349.09265	32.5
353.13763	3.9
411.98706	3.9
412.04807	4.6
412.62036	4.4
426.21408	5.3
484.35541	4.6
485.31201	4.4
523.18640	4.5
545.16229	15.9
545.23767	30.2
545.30664	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
57.55701	0.9
58.38267	1.0
59.01381	16.0
61.98824	6.4
71.01389	6.7
71.52524	1.4
71.52890	1.3
73.02942	2.8
78.55589	0.8
81.03471	2.2
81.50017	0.9
85.02959	3.1
86.02472	2.8
87.00879	2.2
87.72248	1.0
89.02438	6.9
95.04971	1.2
96.96029	1.1
97.02931	2.4
97.06570	1.1
98.20389	1.4
99.00866	1.5
99.04523	1.5
101.02443	7.2
113.02460	3.3
115.92006	1.1
116.92867	1.7
119.03500	1.6
121.06577	1.4
123.04515	4.1
123.08119	1.3
125.09704	4.2
127.08780	2.3
128.03539	11.1
133.90231	1.0
135.08131	1.6
137.09654	2.5
149.06123	1.2
161.04550	2.9
163.11287	8.3
171.07733	8.1
181.12331	2.2
185.11829	6.3
191.14449	9.9
192.14450	1.3
197.11790	1.1
203.85237	1.0
207.10190	5.6
208.10686	1.0
213.45207	1.2
215.06761	1.3
217.15956	1.4
225.11295	5.9
235.08040	1.0
243.17584	1.5
245.19098	16.1
253.09271	31.2
254.09654	1.6
271.17059	2.8
289.18088	100.0
290.18347	5.5
305.17380	2.0
306.17709	1.6
307.19156	54.0
308.19440	2.0
327.20007	3.1
336.54147	1.0
414.23370	3.3
525.26508	2.1
543.27576	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	541.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72905	0.2
59.97382	0.2
60.99308	14.0
61.03921	0.2
75.37321	0.2
78.72553	0.2
85.02953	0.4
86.02646	0.2
88.00403	0.5
88.98808	100.0
89.02457	1.4
98.19997	1.2
98.20689	0.5
158.45752	0.2
166.18076	0.2
169.10793	0.2
191.01999	0.2
272.40619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03436	2.8
59.01379	10.4
61.95932	0.8
61.98831	24.7
65.88239	0.8
66.61765	1.0
71.01391	5.6
72.99320	1.1
73.02943	1.7
78.91892	1.0
78.95897	0.9
79.95740	2.2
81.03419	0.9
83.01398	1.5
85.02945	6.2
87.00844	1.4
88.98802	3.8
89.02435	2.4
89.44601	0.8
91.67691	0.8
96.96013	22.3
98.20354	1.1
99.04496	1.7
101.02455	3.7
105.11877	0.8
109.18750	0.8
110.97579	19.6
113.02457	2.3
116.92860	1.7
121.02897	0.8
125.02413	1.0
139.00410	0.9
139.04007	0.9
147.02974	0.8
149.02412	2.8
153.01793	1.0
159.56161	0.9
160.04071	1.3
161.04503	2.1
163.49236	0.9
164.98305	1.9
165.99022	1.0
175.00345	3.4
181.12202	1.0
191.01971	0.9
199.04105	1.1
199.76552	0.8
215.03468	1.7
222.58969	0.8
228.13167	0.9
240.90479	1.0
243.02982	2.5
259.02454	2.4
271.02338	1.7
286.01291	1.2
286.98672	1.3
287.01938	18.6
289.17999	1.0
296.99988	0.9
315.01440	53.9
316.01849	2.6
329.03033	1.0
330.03784	56.4
331.04108	2.9
345.06122	100.0
346.06494	5.8
351.20126	1.3
399.13147	1.0
483.24329	6.3
507.11514	15.5
508.12021	1.2
543.17432	25.6
544.17560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
58.90504	0.6
59.01385	4.1
61.98830	8.5
69.33622	1.2
69.34014	5.0
71.01381	2.7
85.02958	4.9
87.00868	0.8
88.98803	1.3
92.05040	1.0
94.06622	1.4
96.96000	2.0
98.20650	1.4
99.00880	0.7
101.02470	0.7
104.05093	0.8
106.06635	0.7
107.03761	6.5
107.60171	0.6
111.00868	1.6
112.04051	2.7
113.02445	0.9
116.05064	6.3
116.92844	1.3
120.04506	0.7
121.02961	1.0
122.06123	42.6
123.03267	3.9
123.06445	0.7
124.04029	3.2
126.90532	0.7
129.01970	1.1
132.04587	5.0
134.06110	2.4
138.05618	14.3
139.02745	2.8
139.81505	0.7
140.07164	1.1
150.05560	0.9
152.07170	100.0
153.07520	2.1
158.02473	2.4
160.04039	27.0
164.07178	5.3
165.07176	0.7
166.05066	0.9
169.95598	0.8
172.04066	1.1
182.04555	1.9
184.06134	2.9
190.05103	12.6
191.02002	1.3
192.06667	61.8
193.07074	2.0
197.04579	1.1
204.06635	1.7
227.12053	0.7
251.08093	0.6
255.11386	2.3
256.09686	0.8
267.11282	1.4
272.09378	0.9
281.09332	3.7
287.16501	0.7
293.09375	1.7
297.12427	1.3
323.10410	1.2
325.11920	35.5
326.12311	2.2
329.15164	1.4
344.33093	0.8
355.13040	12.4
357.14560	55.9
358.14883	2.6
383.50571	0.6
420.19168	1.9
436.14862	1.4
437.17346	0.9
446.17303	3.2
461.21707	0.6
464.18301	14.1
465.17099	2.3
468.17679	1.9
470.74432	0.6
478.20053	1.8
490.16138	3.4
496.20807	1.4
508.17264	18.7
509.17743	1.0
522.18762	4.7
540.19885	9.2
541.20618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
58.90504	0.6
59.01385	4.1
61.98830	8.5
69.33622	1.2
69.34014	5.0
71.01381	2.7
85.02958	4.9
87.00868	0.8
88.98803	1.3
92.05040	1.0
94.06622	1.4
96.96000	2.0
98.20650	1.4
99.00880	0.7
101.02470	0.7
104.05093	0.8
106.06635	0.7
107.03761	6.5
107.60171	0.6
111.00868	1.6
112.04051	2.7
113.02445	0.9
116.05064	6.3
116.92844	1.3
120.04506	0.7
121.02961	1.0
122.06123	42.6
123.03267	3.9
123.06445	0.7
124.04029	3.2
126.90532	0.7
129.01970	1.1
132.04587	5.0
134.06110	2.4
138.05618	14.3
139.02745	2.8
139.81505	0.7
140.07164	1.1
150.05560	0.9
152.07170	100.0
153.07520	2.1
158.02473	2.4
160.04039	27.0
164.07178	5.3
165.07176	0.7
166.05066	0.9
169.95598	0.8
172.04066	1.1
182.04555	1.9
184.06134	2.9
190.05103	12.6
191.02002	1.3
192.06667	61.8
193.07074	2.0
197.04579	1.1
204.06635	1.7
227.12053	0.7
251.08093	0.6
255.11386	2.3
256.09686	0.8
267.11282	1.4
272.09378	0.9
281.09332	3.7
287.16501	0.7
293.09375	1.7
297.12427	1.3
323.10410	1.2
325.11920	35.5
326.12311	2.2
329.15164	1.4
344.33093	0.8
355.13040	12.4
357.14560	55.9
358.14883	2.6
383.50571	0.6
420.19168	1.9
436.14862	1.4
437.17346	0.9
446.17303	3.2
461.21707	0.6
464.18301	14.1
465.17099	2.3
468.17679	1.9
470.74432	0.6
478.20053	1.8
490.16138	3.4
496.20807	1.4
508.17264	18.7
509.17743	1.0
522.18762	4.7
540.19885	9.2
541.20618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11718	1.8
55.01869	3.3
57.03440	7.1
58.00571	1.8
59.01377	44.1
60.99295	2.2
61.98828	14.4
69.03448	1.7
71.01012	3.2
71.01381	47.3
71.52484	1.9
72.99291	3.8
73.02959	10.2
74.14354	1.7
75.00866	3.4
81.03451	2.4
83.01385	7.9
85.02951	37.3
87.00871	6.9
88.33125	1.5
88.98794	9.7
89.02451	24.3
95.01369	3.4
96.95996	6.5
97.02953	3.4
99.00858	4.9
99.04509	4.6
101.02439	32.9
106.00618	2.1
111.00858	7.6
113.01868	1.4
113.02454	16.9
116.92876	4.4
119.03484	2.6
121.02959	28.9
123.00888	4.3
125.02407	5.0
129.01933	5.9
131.03516	9.4
135.04506	3.7
138.03198	4.9
143.03459	3.6
147.02887	2.5
149.04518	5.0
153.01912	1.8
153.05571	25.0
159.02827	1.9
161.04532	7.3
162.03209	2.5
166.99838	5.6
177.05467	2.4
182.02165	13.3
191.02060	2.6
197.04549	76.9
209.03015	2.1
222.26566	1.6
223.06003	1.8
233.06529	2.4
250.33598	1.6
251.75522	2.0
279.08755	3.2
297.09933	3.1
341.08652	6.1
347.20700	26.5
359.09805	4.2
393.20645	1.8
406.23141	2.3
479.24954	100.0
480.25211	9.4
539.17047	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	539.2628
Annotation	CHEBI:68153
Peak:m/z	Relative Intensity
54.12177	0.9
59.01379	6.9
61.21180	0.9
61.98832	5.6
71.01369	1.1
71.52218	1.4
78.95899	25.1
78.96333	1.8
85.02968	1.6
88.12921	0.8
95.38514	1.1
95.47060	0.9
96.96970	2.2
121.85272	0.8
125.09747	1.4
152.99577	37.0
153.00827	1.8
163.11235	3.8
167.10771	1.3
171.00638	2.4
211.13426	1.9
227.00920	1.0
227.03226	3.5
245.04218	1.1
249.22270	3.7
293.21231	48.8
294.21597	2.6
311.22284	30.3
312.22644	1.7
313.78397	1.1
377.19385	1.0
381.90967	0.9
434.50961	0.9
451.10724	1.4
474.13367	0.9
539.26233	100.0
540.26666	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	539.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
58.00594	0.6
59.01108	0.6
59.01378	7.9
60.50875	0.4
63.02415	0.5
68.99814	0.5
71.01382	8.0
71.05019	0.6
71.51881	0.4
72.99316	0.5
73.02938	0.8
74.38699	0.3
75.00868	0.9
81.03458	3.6
81.81699	0.4
83.01376	1.2
84.02184	0.6
85.02948	1.7
87.00839	0.7
88.24854	0.3
89.00346	3.0
89.02445	10.3
91.01891	1.1
95.01382	1.2
97.02957	1.3
99.00832	0.9
99.04525	2.0
101.02446	2.2
104.16391	0.4
106.00603	3.0
110.00108	0.6
111.00872	1.1
112.98833	0.5
113.02463	1.3
119.03458	0.5
121.02955	38.5
122.03270	0.9
123.00888	7.8
125.02431	3.2
125.09733	0.6
125.99652	0.5
127.00388	1.0
131.03491	3.0
136.98779	0.8
137.02461	2.5
137.99579	0.9
138.03230	4.3
139.00352	1.3
139.04004	0.9
143.03517	3.1
149.04564	5.5
151.03981	0.4
153.02034	0.7
153.05573	28.9
153.99084	0.5
154.02789	0.4
154.05896	0.5
154.99954	0.5
161.04550	0.8
165.01855	0.6
166.99840	6.0
179.05528	0.6
181.01427	1.4
182.02205	17.7
183.02583	0.6
185.11815	11.0
191.01907	0.4
191.05577	1.1
195.03017	0.8
196.03723	1.4
197.04543	100.0
198.04802	2.6
209.02985	0.4
212.76428	0.4
223.06056	0.4
282.07513	0.9
293.08786	9.6
297.09760	6.8
313.09320	0.9
323.07813	0.6
326.06635	0.5
341.08752	19.3
342.09116	0.9
359.09836	6.9
391.27090	0.4
473.65289	0.4
479.21420	1.0
539.14099	0.7
547.07703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01101	0.7
59.01377	6.0
60.03918	0.5
60.43731	0.4
61.98835	4.6
71.01379	2.1
72.99290	0.6
73.02953	2.2
73.10725	0.4
75.00856	0.8
78.92812	0.5
85.02954	3.6
86.25459	0.4
87.00880	0.5
88.98840	0.7
89.02462	0.6
89.80989	0.4
96.96027	3.0
97.84140	0.4
99.00893	0.5
99.04516	0.9
99.92580	11.6
101.02428	1.3
113.02477	1.3
114.93404	0.8
116.92860	100.0
116.97260	1.3
117.01937	3.9
117.92883	2.9
125.02495	0.9
126.90508	0.9
129.01912	0.7
131.06612	0.5
135.04552	0.9
161.04652	0.7
167.22615	0.4
179.03345	0.7
191.01976	1.1
257.13010	0.5
446.11261	0.5
447.26184	1.4
479.12546	1.1
486.29892	0.5
538.33258	2.3
539.21686	0.8
539.33533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99889	0.9
56.36232	0.9
58.00579	1.3
59.01380	21.2
70.55873	2.3
70.56238	2.0
71.01387	21.4
73.02932	3.3
75.94273	1.0
78.95868	2.3
83.01385	1.2
85.02953	3.3
87.00877	4.2
89.01875	1.0
89.02443	34.7
92.92801	100.0
94.92514	30.6
96.92200	3.9
96.96948	2.3
97.02940	1.1
101.02445	17.9
104.38883	1.0
108.90198	30.3
110.89906	12.4
113.02461	10.8
114.39087	1.0
119.03528	6.4
125.02456	1.7
131.03461	2.1
132.12196	1.0
139.59856	1.2
143.03500	3.6
161.04562	8.5
166.86026	1.2
168.85844	1.2
179.05605	42.6
218.39767	1.0
221.06651	13.2
236.85748	0.9
238.90752	1.7
240.79288	3.8
242.79031	5.6
242.86174	3.4
256.76645	1.4
258.76260	1.5
259.02438	1.9
281.08755	3.6
284.77686	1.2
314.72583	3.9
316.72238	4.7
316.79431	8.3
323.09732	2.7
332.76819	2.2
341.10901	21.4
377.08420	7.8
383.11935	42.7
384.12463	2.0
389.34705	1.0
413.12872	1.2
443.13873	6.1
462.98947	1.0
491.31046	1.0
503.16165	43.1
504.16568	3.1
539.13855	40.3
540.14050	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	539.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03160	0.9
57.03448	17.6
59.01374	1.8
65.00320	0.7
67.01858	0.7
70.13430	0.5
70.16299	1.4
71.01386	2.5
72.99300	0.5
78.66489	0.4
83.01388	4.1
84.02174	1.5
85.02952	100.0
86.03300	1.1
87.00881	1.5
89.00320	0.8
91.01881	2.4
97.55495	0.4
98.20404	1.2
101.02425	1.4
103.00399	0.9
106.00649	0.7
108.02219	1.8
109.02985	0.7
111.00882	11.9
121.02966	7.8
123.00881	1.9
123.04527	7.6
124.01627	0.7
129.01947	53.8
130.02286	1.0
138.03255	1.1
139.00372	1.8
139.03981	0.6
147.03000	10.7
152.01184	2.5
153.05574	6.7
154.99884	0.7
164.57918	0.5
166.02722	1.3
167.03499	23.3
173.00919	11.9
182.02261	2.3
191.02000	7.4
197.04556	17.9
207.06598	1.1
209.03072	1.8
212.59474	0.5
222.05389	0.8
235.06145	4.6
237.07819	0.8
241.74271	0.5
265.07181	5.4
297.06152	5.1
309.06180	0.7
327.07251	5.2
341.05212	3.9
359.06155	4.6
371.06161	2.1
389.07205	3.4
540.10504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2468
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
55.50386	0.4
56.58526	0.4
57.01382	0.5
57.03429	1.0
59.01368	1.6
61.98839	0.6
64.13133	0.5
65.51397	0.4
69.15467	0.8
69.15872	3.8
71.04999	0.6
78.95903	31.3
81.03434	0.7
82.60902	0.4
83.05058	0.5
83.91798	0.4
85.02946	0.6
96.25942	0.4
96.96957	2.6
97.02950	0.8
102.09030	0.5
123.04481	0.5
123.08210	0.8
125.09692	0.9
135.08202	0.6
141.12895	0.5
150.97986	0.6
152.99582	43.9
153.12703	0.5
154.85957	0.5
163.11304	3.6
165.12849	6.2
166.10023	0.7
171.00677	3.3
179.14384	2.1
181.12334	2.2
193.15968	2.0
197.11795	1.5
209.11784	1.1
223.13402	1.6
227.03204	3.1
245.04231	1.9
247.20682	7.0
253.78790	0.5
273.18585	2.2
291.19653	38.1
292.20001	2.6
309.20691	27.8
310.20953	2.0
437.98138	0.6
445.19888	2.3
463.21243	0.7
513.47955	0.6
537.24664	100.0
538.24969	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	537.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79973	0.3
55.56239	0.2
57.03450	0.4
59.01380	2.4
61.98822	1.2
70.20171	0.3
70.66542	0.8
71.01379	1.9
73.02952	0.7
80.91668	0.5
81.06122	0.3
83.01383	0.3
85.02959	1.7
88.49253	0.3
88.98816	1.1
89.02441	1.0
93.03457	0.5
95.38964	0.3
96.96017	0.7
97.27303	0.3
101.02465	0.7
108.02177	8.0
109.02959	8.4
113.02430	0.6
116.92850	1.2
119.03538	0.3
121.02969	3.4
122.03735	0.3
123.04527	4.5
129.01888	0.3
135.04504	0.8
137.02441	0.6
145.02907	0.8
150.03197	0.8
159.04498	0.9
161.04459	0.5
165.05554	0.5
170.75096	0.3
173.06010	0.6
173.53000	0.3
183.21031	0.3
186.06720	0.4
189.05484	0.3
196.05246	0.3
201.05730	0.4
203.07170	0.6
204.07916	1.1
216.07964	0.3
219.10226	0.6
224.04758	0.3
227.03413	0.3
228.04181	0.5
230.05865	0.3
231.06584	0.4
243.06467	0.3
247.09703	1.2
249.05528	0.3
251.07158	0.4
252.04175	0.5
253.05173	1.3
260.08832	0.3
261.05453	0.4
262.06296	0.5
263.07077	0.3
264.04190	0.3
265.05081	0.3
265.08548	0.4
267.06476	1.5
275.07129	1.1
276.07922	0.7
277.05096	1.1
277.08331	0.5
277.11081	0.5
278.05707	1.1
279.06665	1.7
280.07336	0.5
281.08194	0.6
287.07172	0.5
288.07983	0.6
289.08691	1.2
290.05875	0.6
291.06705	2.5
291.09714	0.5
292.07495	1.5
293.08160	1.4
294.08813	0.8
295.09821	1.0
297.11237	0.4
303.06717	2.1
304.07425	1.4
305.08194	3.4
306.08957	1.2
307.09634	1.7
308.10309	0.4
309.07758	0.6
310.08542	0.9
311.09201	1.1
316.07343	1.1
317.08170	2.4
318.08832	1.2
319.09644	2.0
321.07721	0.8
321.11337	1.0
322.08484	0.8
323.09183	1.0
324.09976	0.5
325.10785	0.6
327.12451	1.6
331.09720	0.7
332.10400	0.4
333.07797	0.5
333.11581	0.4
334.08383	0.9
335.09244	5.6
335.12891	0.5
336.09839	1.3
337.10712	1.9
339.08569	0.5
339.12448	0.8
340.09485	0.8
341.14035	0.3
347.09097	0.9
348.09903	0.5
349.10880	2.2
349.18640	0.9
350.11581	4.6
351.12256	1.2
352.09381	0.5
353.10281	0.5
354.10770	0.4
355.11755	1.1
358.14240	1.1
365.10144	1.3
365.14163	0.5
366.11081	1.1
367.11737	2.0
368.12488	0.5
372.38858	0.3
373.16513	0.4
379.11954	0.5
379.19757	0.9
380.12640	3.3
381.13089	0.9
383.14935	0.3
385.07062	0.8
385.11374	0.3
386.07672	0.8
395.14972	0.9
397.10776	0.4
401.10287	2.6
401.16006	6.2
402.16190	0.6
410.11478	0.4
411.12823	0.5
413.10181	1.1
413.15424	0.6
414.11060	0.3
415.11865	0.8
426.11121	0.3
427.11847	1.0
429.13516	0.9
431.14847	0.6
440.12515	0.5
441.13730	1.4
442.14084	0.5
443.15689	1.5
447.14627	0.5
455.14835	1.0
457.16422	0.6
458.13638	0.6
459.14490	5.2
460.14795	0.4
461.16187	1.8
471.13995	0.4
473.16006	5.0
477.23755	0.5
486.16888	0.5
489.15546	4.9
492.17676	1.1
504.17896	7.5
505.17783	0.4
507.20203	15.6
508.20618	1.2
509.21951	0.7
519.20227	100.0
520.20551	9.6
537.13440	0.4
537.21637	0.9
537.33264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
59.01384	3.8
61.98834	8.3
71.01381	1.1
71.52359	0.9
78.95865	0.7
79.60757	0.7
80.96512	1.7
81.13302	0.9
85.02924	2.9
88.98786	1.4
95.01395	0.9
96.96023	1.4
103.36691	0.7
108.02203	1.8
109.02954	1.5
113.02448	1.2
121.02973	4.4
123.00873	1.0
123.04510	1.8
125.02477	0.9
133.03030	0.7
135.04507	2.6
138.93980	0.8
145.02892	1.0
146.03670	1.7
147.04515	6.1
148.05276	1.4
149.02402	2.3
149.06113	0.8
150.03201	5.0
158.03685	2.9
159.04526	9.1
160.05302	16.7
161.02550	0.9
161.06062	11.0
162.03163	1.2
163.03999	6.3
164.04788	4.3
173.05991	3.6
175.03976	0.9
175.07642	14.1
177.05556	7.9
178.06273	2.2
180.39462	0.9
196.03876	0.9
203.19656	0.8
210.05215	1.2
221.05972	0.9
225.05553	1.6
226.06361	1.9
237.05533	1.0
238.06268	4.5
239.07085	3.6
241.08774	1.3
244.07790	0.7
249.05624	1.2
250.06206	1.5
252.04289	1.1
253.04915	1.3
254.05714	4.5
255.06665	4.0
264.07849	1.4
265.08585	2.7
266.05878	8.9
267.06598	17.3
268.07333	1.0
269.08163	13.7
270.08929	2.6
280.07437	1.2
281.08191	21.1
282.08896	4.7
283.09711	1.2
284.10541	2.1
296.06900	1.7
296.10236	1.4
302.07843	1.8
314.08023	4.5
316.09464	2.3
321.84210	0.9
328.09372	1.4
371.15036	1.6
401.15613	1.2
417.13278	1.6
429.13364	3.4
432.15823	2.9
444.15796	6.0
447.18167	3.1
459.18918	5.9
474.16791	3.1
477.19171	71.2
478.19571	5.4
489.19211	100.0
490.19406	9.4
507.20300	11.3
519.20270	6.8
537.19531	4.9
538.27600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01386	2.7
60.99305	15.3
61.98811	1.2
64.34900	0.4
71.01373	1.2
71.51857	0.7
71.52263	0.6
72.99345	0.5
85.02933	2.4
88.56672	0.5
88.98804	100.0
89.02435	0.7
96.95450	0.5
96.96022	2.6
101.02435	1.9
110.97610	0.4
113.02435	0.8
113.06046	1.0
116.86486	0.5
138.50673	0.5
142.63828	0.5
174.06334	0.5
191.01953	0.9
209.02989	0.7
225.19185	0.5
227.03482	2.6
255.03079	3.0
256.03619	0.6
284.03217	3.8
285.03848	1.2
379.07288	0.5
429.11536	0.5
447.09277	6.4
489.16635	0.5
537.12708	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	535.3122
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
53.88272	0.4
54.45873	0.6
55.01884	0.7
57.03446	2.0
59.01381	24.3
61.98835	4.5
69.14240	5.2
71.01384	8.2
72.99300	1.4
73.02963	3.5
75.00878	0.5
76.29500	0.5
79.79774	0.4
83.01369	2.4
85.02950	5.5
85.06610	0.5
87.00877	0.8
88.98833	0.5
89.02451	3.1
94.84673	0.4
96.96007	2.6
97.06580	0.5
97.56962	0.5
98.19975	1.8
98.20647	1.2
99.00867	1.6
99.04513	0.8
99.92575	0.6
101.02444	7.6
113.02431	3.3
115.92091	1.7
116.92860	5.8
119.03484	0.8
125.02475	0.5
125.09750	0.9
127.11359	0.5
129.02022	0.8
132.72252	0.5
158.03906	0.6
159.03027	0.6
161.02438	0.6
161.04562	1.1
166.05064	0.7
169.86221	0.6
171.10278	2.5
251.42752	0.5
264.92062	0.5
277.21771	0.9
283.10983	0.8
295.22583	0.6
336.05273	0.6
355.25079	3.9
372.14273	0.5
373.25946	8.6
385.04355	1.4
449.14667	0.7
475.29022	0.6
517.30298	1.4
535.31232	100.0
536.31512	7.9
542.21930	0.5
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	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
51.96559	0.4
57.03429	1.3
59.01385	3.7
61.98817	2.0
62.61485	0.4
63.96224	0.7
69.69835	1.1
69.70245	1.6
71.01378	2.2
73.02937	1.1
83.01395	0.6
85.02949	10.7
86.03268	0.5
88.29681	0.5
89.02428	0.9
93.03457	0.9
96.96024	1.0
97.59141	0.5
101.02451	1.0
108.02197	0.9
109.02927	1.0
111.00883	1.2
111.41201	0.4
116.92873	0.5
119.04971	0.6
121.02948	13.0
123.04548	2.3
126.90499	0.5
129.01961	2.3
134.03738	2.6
135.04529	2.4
135.98380	0.8
137.02463	0.6
145.02959	2.0
147.03111	0.9
147.04488	2.8
149.06059	1.3
159.34384	0.5
162.06842	1.1
167.03488	0.8
173.00948	1.0
174.51756	0.5
175.07643	0.6
178.02728	1.2
191.01920	2.0
193.05049	7.3
194.05760	1.1
209.03043	0.8
211.07463	0.6
214.49257	0.6
225.05583	0.9
225.09135	0.6
226.06310	1.3
237.05556	1.4
239.07182	3.0
240.04251	1.3
241.05008	1.4
241.08702	0.5
249.05502	0.8
251.07076	1.4
253.05038	1.5
253.08629	1.9
254.05824	1.6
255.06558	6.3
256.07285	0.7
257.08212	0.7
262.06195	0.5
263.07132	0.9
264.07785	1.1
265.08652	1.3
266.05771	0.6
267.06586	12.5
267.09531	0.9
268.07343	3.8
269.08188	21.9
270.08603	0.9
280.07397	2.8
281.08194	8.4
282.08920	2.3
283.09753	11.9
284.10452	4.4
295.06525	0.7
295.09738	7.4
296.07181	0.8
296.10440	3.4
297.11426	0.7
298.08429	0.9
299.12848	2.2
300.02811	1.0
311.09250	19.3
311.12549	0.7
312.09702	1.4
322.08136	0.6
323.09375	1.0
324.06036	0.5
325.07117	1.9
325.10687	1.2
328.09506	9.3
329.10345	0.5
329.13843	1.1
337.10757	0.9
340.09497	26.4
341.09738	1.0
343.11844	100.0
344.12189	4.7
355.11853	61.8
356.12225	2.7
358.12427	0.5
359.06180	0.6
373.12897	26.2
374.13144	1.6
385.12799	0.7
533.48834	0.5
535.09753	0.7
535.18146	11.5
535.32159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
55.25278	0.6
56.30378	0.5
57.03446	14.8
57.29257	0.5
58.00568	0.6
59.01379	3.7
61.98811	0.7
68.99811	0.7
69.32785	4.4
71.01368	2.2
72.99311	0.8
75.00850	0.7
77.80666	0.5
83.01401	3.3
84.02171	2.6
85.02950	100.0
86.03277	1.2
87.00878	1.1
96.96022	1.0
101.02434	1.0
106.00672	0.7
106.04661	0.6
111.00866	8.5
115.00379	0.6
117.03445	1.2
119.05016	8.5
121.02943	9.6
123.00918	0.7
126.90508	1.7
129.01941	34.7
139.24034	0.5
145.02954	7.3
147.02995	16.7
153.05583	7.3
163.04012	8.9
173.00908	8.6
182.02191	1.7
191.01967	17.7
197.04539	22.6
209.03020	3.8
231.06598	1.6
265.07150	2.3
293.06567	2.2
327.07169	3.5
337.05472	0.9
349.69601	0.6
355.06671	1.2
356.03397	0.6
371.06192	2.6
389.07214	13.1
535.11469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03446	15.9
59.01373	3.2
69.50429	3.3
71.01381	2.8
71.75692	0.5
72.99297	0.7
73.02922	0.9
75.00845	0.5
76.80093	0.5
82.17783	0.4
83.01396	5.1
84.02171	1.9
85.02950	100.0
86.03283	1.0
87.00884	1.1
89.00323	1.1
89.02443	1.6
91.01863	0.7
93.03437	0.9
95.82741	0.5
96.96002	1.3
98.20602	0.9
99.00867	0.6
101.02438	1.5
103.00364	0.6
106.00608	1.1
111.00876	13.3
117.03456	1.8
119.03616	0.7
119.05028	12.9
121.02958	16.5
123.00861	1.6
125.02447	0.6
129.01941	42.6
138.03235	0.9
139.00365	0.7
143.03549	0.5
145.01404	0.7
145.01649	0.8
145.02940	12.2
147.03000	12.0
151.04074	0.9
153.05568	11.2
158.07184	0.4
163.04005	11.0
173.00906	12.1
179.05621	0.6
182.02184	1.9
187.07697	0.5
191.01962	12.6
191.03658	0.9
192.02386	0.5
197.04546	27.1
198.04907	0.6
203.07169	0.7
209.03064	2.6
211.06122	0.5
219.32153	0.5
221.44095	0.5
229.94759	0.5
231.06688	2.3
252.19461	0.5
265.07071	2.6
293.06879	2.7
327.07086	2.4
337.05508	1.2
355.06720	1.3
371.06198	3.7
381.94974	0.5
389.07269	5.6
390.07535	0.6
399.80466	0.5
444.42780	0.5
465.98102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70582	0.9
54.14524	0.9
55.01865	2.8
57.03203	1.2
57.03450	16.5
59.01380	5.5
61.98848	1.1
63.02381	1.0
71.01382	3.3
72.99297	1.6
73.02974	0.9
78.26004	1.0
83.01398	4.8
84.02147	2.3
84.36508	0.8
85.02950	100.0
89.02463	1.1
96.96014	6.7
98.20277	6.0
100.21371	1.0
101.02435	1.1
103.00334	1.4
107.01389	3.0
107.89026	0.9
108.02187	1.2
109.02929	1.6
111.00883	8.4
116.92901	2.1
119.05028	2.6
121.02958	8.9
126.89594	1.5
126.90501	20.4
129.01944	28.0
130.33974	0.8
133.61598	0.8
135.00974	1.2
145.02942	2.2
147.02977	17.0
151.00362	9.3
153.05556	3.7
163.00342	1.6
163.03993	2.9
167.03511	2.3
173.00883	7.2
178.99857	4.4
190.55222	0.9
191.00243	1.6
191.01984	26.5
193.04996	1.2
197.04587	13.2
199.03969	1.0
209.02997	7.7
229.05121	1.3
243.02962	7.6
245.04565	1.2
254.02197	1.9
255.02982	24.9
265.07037	0.9
271.02472	49.2
272.03036	3.1
283.02457	1.0
299.02127	1.2
300.02725	92.3
301.03479	35.4
327.07431	1.1
340.98056	0.9
343.04660	1.1
371.06052	2.6
380.62909	1.0
389.07312	21.5
434.69983	1.0
463.08813	86.8
464.09143	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03448	2.5
59.01380	3.1
59.11993	0.2
61.98813	0.4
67.01876	0.2
68.99814	0.3
69.42260	1.3
71.01377	2.0
72.99303	0.3
73.02959	0.2
83.01376	1.1
84.02155	0.3
85.02950	17.0
87.00885	0.3
88.98821	0.8
89.02445	1.2
91.11495	0.2
96.96017	2.0
98.20180	0.6
99.00893	0.2
101.02414	1.0
104.05131	0.2
104.61868	0.2
111.00883	1.5
113.02449	0.6
116.92845	0.9
117.03413	0.3
119.03506	0.3
119.05032	0.7
119.09270	0.2
121.02922	0.9
123.04494	0.5
126.90508	100.0
129.01942	4.3
132.04544	2.8
134.03745	0.7
134.06107	1.6
135.04500	0.3
135.54753	0.2
145.02998	0.4
147.02991	2.9
150.05687	0.2
152.01164	0.2
153.05554	0.6
158.06058	0.3
161.02438	0.3
163.03995	1.1
167.03477	1.3
173.00952	1.4
176.03552	0.3
190.05145	0.3
191.01973	3.9
193.05055	0.7
197.04565	2.2
198.04718	0.2
209.03036	1.4
251.11784	0.2
265.07245	0.4
279.11334	1.2
293.06671	0.2
314.12628	0.3
323.10495	0.4
327.07236	0.7
341.05270	0.4
371.06216	0.3
373.08005	0.4
373.12866	0.4
389.07230	1.6
411.62137	0.2
435.17444	0.4
459.17770	1.1
503.16730	7.8
504.17172	0.3
517.18329	0.5
535.19824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85790	0.4
52.91405	0.5
54.60453	0.4
56.54406	0.4
57.03447	6.0
58.62817	0.4
59.01378	28.6
60.01718	0.6
61.98828	100.0
68.99845	0.6
71.01378	7.7
71.01730	0.6
71.51693	0.4
72.99303	0.6
73.02941	5.3
75.00883	0.8
78.95903	0.6
79.95734	11.6
80.91688	0.7
83.01405	2.1
85.02946	4.6
87.00887	0.9
88.98808	0.8
89.02439	2.9
95.95226	9.8
95.95813	0.6
96.96009	33.1
97.02955	0.6
99.00864	0.6
99.04513	8.5
101.02436	11.8
104.25456	0.4
111.00939	0.4
113.02443	2.6
119.03530	1.4
121.02953	0.7
125.02450	2.2
126.90540	0.8
128.03593	1.0
129.01968	1.9
131.03540	0.6
133.02953	0.5
135.04503	0.5
136.99138	0.9
141.01949	0.4
143.03555	1.5
143.04613	0.6
147.03087	0.5
149.04594	1.5
149.60231	0.4
150.97112	1.8
161.02451	1.8
161.04541	15.9
164.98622	0.9
177.04218	0.7
179.05727	0.7
187.04172	0.4
187.11264	2.5
188.12701	0.5
190.09918	0.5
197.01335	1.4
205.12343	2.5
221.06627	1.0
225.00793	1.2
233.11931	1.3
238.98734	1.3
251.02327	0.8
256.99835	0.5
259.13455	1.0
272.08960	0.6
277.14471	1.9
282.08633	1.2
297.06454	4.9
298.06668	0.5
315.12363	0.5
325.02328	0.8
327.03897	1.1
327.07794	0.5
330.14417	0.5
349.16702	0.6
353.47754	0.5
354.10776	0.6
385.04935	0.4
401.03906	27.1
402.04327	1.3
427.19659	4.0
473.19034	0.6
474.18460	3.9
491.19608	0.6
492.19470	3.9
509.70889	0.5
526.80048	0.5
534.11633	3.9
534.20789	2.0
535.28473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80419	0.4
56.08338	0.4
57.90193	0.4
59.01374	0.5
61.98830	100.0
71.14815	0.6
71.15140	0.5
96.08218	0.5
112.50587	0.4
112.80652	0.4
138.76398	0.4
173.93253	0.5
253.25417	1.5
298.27795	0.5
383.32187	0.4
426.36029	1.5
470.34836	15.7
470.41409	0.9
471.35239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54581	2.0
55.01878	2.6
57.03444	10.1
59.01381	90.3
61.98829	100.0
65.53864	1.7
69.18079	18.6
71.01379	24.1
72.99297	2.0
73.02942	11.2
75.00886	1.8
83.01368	5.0
85.02949	73.1
86.03294	2.7
87.00919	3.9
88.98809	3.5
89.02448	8.7
91.68026	1.7
91.97326	1.9
96.96008	16.7
99.00838	2.8
101.02446	12.8
111.00879	4.9
113.02467	13.8
119.03486	4.0
119.04975	3.3
121.02959	3.7
125.02448	2.0
126.90504	22.8
129.01271	1.7
129.01958	19.8
132.04556	4.9
132.09576	1.7
134.06107	4.4
136.19705	2.1
138.06850	7.4
147.02980	14.0
149.06021	2.7
151.07635	7.5
152.08405	17.4
153.09227	39.5
161.04495	4.9
163.04005	2.5
167.03481	4.8
173.00899	5.2
175.02441	1.9
176.79272	1.6
177.48218	1.9
179.10786	5.2
187.11180	2.1
190.05089	2.5
191.01968	15.0
193.05042	3.3
197.04539	4.2
205.12358	19.9
209.02968	6.7
223.13400	10.6
232.96924	1.7
279.11417	2.6
285.03967	4.0
359.06363	3.2
367.17609	59.0
368.17926	2.8
385.18561	6.7
389.07468	3.1
427.19727	43.8
428.19891	2.1
459.17358	2.2
503.16876	15.7
534.32843	2.7
535.19592	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	533.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.6
59.01373	11.9
60.13282	1.4
61.98815	8.0
66.45525	1.1
67.53171	1.3
67.61092	1.2
69.50997	1.2
69.88319	6.6
71.01378	4.1
72.99323	1.6
73.02974	2.3
75.68055	1.1
84.18249	1.1
85.02948	23.9
92.35051	1.3
96.96017	8.0
98.20287	3.7
98.95592	3.9
101.02443	3.0
101.10382	1.4
103.04018	3.7
106.98811	1.3
116.92907	1.5
119.05013	1.4
121.02978	7.9
126.90522	2.3
129.01949	3.2
145.02951	3.4
147.03030	4.5
147.04514	5.1
148.05336	6.2
149.06123	1.2
151.15829	1.3
161.04547	1.4
161.05833	1.5
176.04803	2.5
180.04306	1.5
189.05492	1.6
191.01927	7.7
191.03244	8.2
191.07153	11.6
192.04222	3.6
193.05057	1.8
194.05881	1.6
197.06178	1.5
203.49051	1.2
205.12369	2.2
207.08241	1.5
207.12465	1.4
209.06119	1.5
211.07683	1.6
220.03763	3.1
221.06012	1.6
222.06833	2.3
223.07600	3.7
225.05632	1.2
235.05859	2.5
235.07841	2.3
237.05528	3.9
238.04865	5.6
239.07100	8.4
249.05510	3.7
250.06276	3.6
251.07149	11.8
252.07915	1.3
253.08696	1.5
261.05560	1.8
262.06390	3.5
263.07141	6.6
264.07877	5.8
265.05115	4.5
265.08688	3.1
266.05844	12.3
267.06604	33.0
267.09552	2.4
268.07187	2.6
277.05136	2.9
278.05862	2.1
279.06604	23.9
281.08112	9.8
282.08984	22.2
293.08188	3.2
294.05322	21.8
294.08929	8.9
295.05939	8.3
297.08359	1.5
297.11160	6.4
307.05997	3.6
308.06778	1.7
309.07739	32.0
309.11227	2.5
310.08295	4.0
311.05487	3.0
313.87878	1.3
321.07516	3.9
322.08508	5.9
323.05588	17.3
323.09146	3.8
325.07098	5.1
326.07925	15.0
327.08862	2.3
327.12436	4.2
337.07208	2.4
338.07947	41.4
338.12048	2.0
339.08261	2.3
340.09454	2.8
341.10284	83.8
342.10626	5.8
353.10278	100.0
354.10587	4.6
371.11328	92.4
372.11588	6.3
382.95053	1.4
395.11252	2.3
474.64203	1.3
533.00598	1.4
533.16681	33.8
534.16302	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	533.1666
Annotation	LMPK12111723
Peak:m/z	Relative Intensity
52.64206	1.1
56.03832	1.2
57.03450	3.4
59.01376	9.6
61.98835	6.0
69.66560	3.3
69.66998	3.8
71.01382	3.5
73.02952	1.4
75.37495	1.0
85.02954	17.4
89.02451	1.3
96.96005	5.0
98.95620	2.1
101.02467	3.1
103.04027	3.0
113.02444	1.5
114.79256	1.1
119.05002	1.2
121.02970	10.2
123.04544	1.6
129.01974	2.5
135.04530	1.2
138.74928	1.1
145.02953	4.6
147.02982	1.4
147.04538	5.8
148.05283	6.7
159.04504	1.3
161.04596	1.8
162.03204	1.4
176.04826	2.7
191.01930	4.6
191.03514	7.6
191.07123	11.0
192.04298	3.7
194.05823	3.0
206.05780	1.1
220.03754	2.9
221.06116	2.3
222.06863	1.7
223.07562	3.3
224.03090	1.4
224.48083	1.1
225.05696	1.1
233.04424	2.5
235.03955	1.1
235.06107	4.0
237.05638	3.5
238.04474	5.5
239.07153	7.4
249.05582	5.3
250.06329	2.6
251.07111	17.3
253.08681	2.0
262.06363	2.5
263.07031	8.6
264.07779	4.2
265.05045	3.9
265.08752	2.7
266.05865	13.6
266.09045	2.1
267.06619	31.2
267.09497	2.4
268.07050	2.6
276.04419	1.7
277.05048	3.1
278.05835	3.1
278.09042	1.2
279.06589	25.4
280.07123	2.3
281.08191	9.7
282.08948	17.4
283.09543	1.6
284.03314	1.5
285.03949	1.3
293.04739	1.7
293.08188	3.3
294.05307	20.9
294.08932	9.3
295.06143	6.7
295.09085	1.4
296.10425	1.5
297.08163	1.7
297.11270	6.0
307.06195	3.2
308.06757	1.9
309.07700	30.9
309.11182	1.6
310.04898	2.2
310.08289	4.9
311.05460	1.7
321.07660	4.5
322.08395	5.9
323.05692	18.3
323.09283	3.5
325.07135	4.8
326.07938	13.3
327.08691	2.8
327.12411	2.6
337.07095	2.5
338.07922	38.8
339.08258	2.4
340.09430	3.0
341.10281	82.6
342.10587	4.8
353.10281	100.0
354.10608	7.4
360.48312	1.3
371.11313	94.8
372.11765	6.4
395.10803	2.0
489.23123	1.6
503.15845	3.6
533.16620	32.8
534.17297	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	530.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11940	0.2
61.98822	0.9
69.44813	0.8
69.45224	0.8
78.95905	16.3
80.66293	0.3
89.37556	0.2
134.98526	0.3
152.99573	2.7
168.04308	3.0
196.89487	0.7
224.06909	8.0
242.07936	1.6
255.23279	100.0
256.23593	4.3
258.20935	0.2
354.54706	0.3
393.53592	0.3
462.58252	0.2
474.94745	0.2
480.30930	70.0
481.31146	5.3
530.30579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0937
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.95969	1.1
54.14458	1.1
57.03452	4.6
57.43106	1.0
59.01379	21.1
61.98827	20.4
63.11211	1.0
71.01373	10.3
71.52596	1.5
71.53002	1.2
73.02950	3.4
75.00870	2.0
79.43662	1.0
83.01386	2.4
85.02950	25.0
87.00878	2.7
88.98798	3.1
89.02452	3.4
93.03453	2.5
96.96011	7.5
99.04527	3.5
99.92556	1.2
101.02457	4.3
103.00345	1.6
103.04023	2.8
107.01419	2.2
111.00917	1.3
113.02459	3.7
115.92078	2.2
116.92854	5.7
119.03548	1.2
120.73514	1.2
121.02967	2.5
121.63890	1.2
125.02410	3.0
126.90502	5.2
129.01944	4.0
132.02177	1.4
135.00861	1.7
135.04523	2.7
147.02997	3.3
147.04532	1.4
151.00439	1.8
151.80679	1.3
161.02414	1.6
161.04552	4.0
163.00374	2.3
165.01961	1.2
173.00894	1.7
173.02429	1.5
174.03186	1.3
185.06058	1.6
187.03978	2.5
191.01988	5.9
191.03575	1.4
193.04980	1.3
199.04079	1.7
201.05566	1.2
209.03053	1.9
211.03989	2.3
213.05466	1.7
215.03531	1.7
227.03470	24.0
227.05670	1.6
228.03944	1.4
229.04987	10.9
239.03534	2.1
241.05002	1.8
251.07060	2.3
255.02985	62.5
256.03546	5.5
257.04517	6.2
267.06476	2.3
279.06812	1.7
284.03244	82.7
285.04028	100.0
286.04431	4.0
295.06125	1.3
323.05566	3.8
333.98987	2.7
334.99783	1.4
338.07840	2.3
341.10275	5.4
353.10324	19.1
371.11432	4.1
489.10370	61.2
490.10745	4.2
497.04840	3.3
533.16943	4.1
533.30292	1.3
557.89142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03441	0.4
58.00600	0.3
59.01380	6.9
61.98831	0.2
66.15306	0.1
69.03465	0.3
69.17798	0.8
69.18229	0.4
71.01384	5.8
72.99312	0.3
73.02955	0.9
83.01398	0.8
83.05051	0.1
85.02958	1.1
87.00864	0.8
89.02448	5.7
91.04009	0.2
95.01404	0.4
95.05043	0.2
97.02943	0.2
97.06608	0.2
99.00880	0.3
101.02442	5.9
111.08160	0.5
113.02464	3.0
113.09753	0.3
119.03513	1.5
125.09738	0.2
131.03540	0.2
143.03494	0.4
149.04590	0.2
161.03261	0.2
161.04558	3.6
167.10756	0.4
169.12257	0.1
174.11803	0.1
177.12799	0.3
177.16440	0.2
179.05652	1.1
179.10767	0.3
179.14449	1.1
181.12328	0.2
195.13902	9.4
196.14586	0.9
199.69598	0.1
202.41632	0.1
205.12321	0.9
205.15979	0.5
211.13388	0.5
220.87468	0.1
223.13385	6.0
224.13953	0.4
228.13696	0.7
231.21263	0.4
235.08192	0.3
249.22223	0.3
253.09282	31.4
254.09718	0.7
256.13144	1.3
265.21744	0.5
275.20154	5.5
276.20493	0.2
293.21222	100.0
294.18176	0.2
294.21545	4.3
492.22116	0.9
529.30524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03450	0.3
58.00597	0.2
59.01380	7.4
62.46568	0.1
65.60351	0.1
69.03453	0.3
69.21631	1.4
69.88110	0.1
71.01383	5.0
71.05043	0.2
72.99316	0.4
73.02947	1.0
77.17464	0.1
83.01396	0.5
85.02950	1.3
87.00873	0.7
89.02446	5.3
91.03995	0.2
91.35556	0.1
95.01384	0.4
95.05012	0.2
99.00840	0.2
101.02444	5.7
111.08156	0.4
113.02453	2.8
113.09724	0.2
119.03502	1.4
120.21300	0.2
120.29749	0.1
125.02421	0.2
131.03474	0.3
133.76521	0.2
141.09262	0.2
143.03481	0.6
149.04683	0.1
161.04558	3.0
167.10783	0.4
177.12833	0.5
179.05602	1.4
179.10800	0.2
179.14404	0.9
181.12393	0.2
195.13893	9.4
196.14590	0.9
205.12355	1.0
205.15990	0.5
211.13412	0.5
221.38191	0.1
223.13388	5.8
224.13995	0.3
225.15135	0.2
228.13647	0.5
231.21169	0.4
235.08223	0.3
239.12874	0.2
249.22191	0.3
253.09282	30.2
254.09637	0.5
256.13187	1.5
265.21686	0.5
275.20151	5.1
293.21222	100.0
294.21567	3.8
313.56943	0.1
356.54755	0.2
492.22040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03194	1.1
57.03447	11.6
59.01110	1.0
59.01383	13.2
61.98839	5.5
67.01892	0.8
68.99806	1.2
69.64290	0.7
71.01376	10.0
71.05006	1.5
71.52316	0.8
72.99306	3.0
73.02942	2.2
75.00878	13.0
76.20824	0.8
79.95734	2.7
83.01392	1.6
85.02461	1.1
85.02946	15.3
87.00872	3.1
88.98818	3.5
89.02436	4.4
93.03474	0.8
95.01354	2.3
96.96014	79.2
99.00893	4.4
99.04521	5.9
101.02431	5.2
103.00374	5.9
105.01934	3.4
111.00874	1.4
113.02448	13.9
115.00409	1.0
117.01932	1.6
125.02437	1.4
129.01936	2.0
138.05707	0.9
146.56767	0.7
151.00368	1.1
153.12814	2.8
157.01347	0.8
161.04561	4.1
175.02518	1.2
191.01959	0.9
197.11874	1.0
199.13388	32.3
199.24736	0.8
200.13681	0.8
205.07172	1.1
231.05043	1.0
249.06140	10.1
267.07153	4.6
305.16113	1.0
346.74432	0.8
353.12750	1.8
367.02759	1.0
385.11786	2.7
426.31918	0.8
449.20255	35.4
450.20557	1.8
467.15564	0.8
487.58414	0.8
529.15961	100.0
530.16345	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	529.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80076	1.0
57.03431	4.8
59.01372	3.6
62.97303	1.0
66.42147	1.3
69.60125	6.4
71.01373	2.9
76.24384	1.1
83.01398	1.2
84.02128	1.5
85.02948	50.3
85.06581	14.8
98.20593	2.1
100.39027	1.2
101.61761	1.0
113.06078	15.1
115.04003	30.9
129.01935	2.2
131.07123	2.9
132.78543	1.2
135.04478	2.4
143.33078	1.2
147.02969	2.6
147.60129	1.2
157.05032	4.9
173.00903	1.5
175.06107	100.0
176.06479	2.1
179.03442	1.4
191.01955	61.3
209.03047	1.8
256.99530	1.3
353.05035	7.2
430.12244	1.2
448.89325	1.2
461.55399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	24.8
58.03759	0.6
59.01379	14.2
61.98824	1.8
69.19312	1.8
69.19735	2.4
71.01372	4.7
72.35392	0.5
72.99331	0.5
73.02940	1.3
79.95745	5.5
80.96524	1.5
81.03458	0.7
83.01391	1.3
85.02955	3.0
89.02454	3.5
96.96012	36.4
97.60888	0.5
99.04517	16.2
101.02444	11.6
113.02441	2.3
119.03491	1.5
125.02446	1.6
127.21482	0.4
129.01897	0.6
131.56384	0.6
143.03513	0.5
152.98621	0.7
161.03282	0.7
161.04562	9.8
164.98576	1.2
199.13277	0.5
201.11252	0.5
238.98694	0.7
241.00307	0.9
256.03256	1.7
256.99600	0.6
257.03702	0.7
258.03729	0.7
272.02838	1.6
273.03027	1.1
274.03204	1.2
300.02634	1.4
301.03223	3.6
302.03448	2.3
303.03815	2.5
304.04312	1.3
345.39517	0.5
363.16428	1.2
367.10599	1.9
385.11786	6.8
405.17728	1.5
449.20212	1.9
464.08984	1.3
466.09500	6.6
467.15894	2.7
469.13611	1.5
485.13385	1.7
529.15955	100.0
530.16357	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
58.16775	0.2
59.01379	6.6
61.98820	0.7
66.33412	0.2
69.06750	0.2
71.01374	3.0
71.06394	0.3
71.06730	0.5
73.02935	0.5
78.95921	0.2
83.01384	0.3
83.05033	0.5
85.02942	0.7
85.14266	0.2
87.00857	0.7
89.02438	2.7
95.05013	0.9
97.06573	0.3
101.02440	3.9
109.06615	0.3
111.08154	6.9
113.02422	1.8
113.09679	0.8
116.92825	0.3
118.88493	0.2
119.03510	0.5
121.06558	0.2
121.10207	0.8
123.08144	0.2
125.09702	0.5
126.90535	0.3
135.11819	0.3
137.09679	0.8
139.11220	0.3
143.03539	0.4
144.88293	0.2
160.16632	0.3
161.04556	1.0
167.10748	1.8
177.12845	1.6
179.10727	1.3
179.32549	0.2
185.11797	0.9
195.13875	4.5
197.11676	0.3
203.14430	0.4
209.11842	0.3
223.13292	0.3
235.08438	0.4
247.20674	2.2
253.09261	16.1
273.18542	1.3
291.19641	100.0
292.19922	5.0
295.22919	0.4
361.32831	0.3
492.26611	0.4
527.19922	0.5
527.28522	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	528.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48310	0.2
59.01384	1.1
61.98829	100.0
66.89131	0.2
68.82262	0.2
69.39275	1.5
71.01383	0.8
73.02948	0.2
73.79241	0.2
78.95902	2.2
85.02953	1.0
88.98804	0.2
89.02451	0.6
96.95984	0.9
96.96990	0.4
101.02430	0.3
113.02454	0.2
115.92072	0.3
116.92907	0.6
125.02404	0.2
135.04485	0.3
143.56728	0.2
149.04532	0.4
152.99623	0.3
171.00624	1.6
301.03711	0.2
354.35049	0.2
452.18457	0.2
528.19623	0.3
529.27032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76478	0.2
55.01865	0.2
55.84866	0.2
57.03442	0.2
57.63509	0.2
58.00589	0.3
59.01379	4.9
61.98829	1.0
62.04455	0.2
71.01003	0.3
71.01378	3.5
71.52515	0.3
73.02939	0.4
79.61232	0.2
82.34866	0.2
83.01363	0.3
85.02944	0.9
87.00877	0.6
89.02442	2.7
95.04990	0.2
101.02443	3.1
113.02454	1.7
116.92819	0.3
119.03497	1.0
125.02392	0.2
125.06059	0.3
126.90479	0.8
130.87865	0.2
131.03464	0.2
148.08939	0.6
150.10519	0.4
151.11256	0.3
161.04553	1.6
163.11267	0.6
165.12848	14.1
166.13130	0.3
173.56328	0.2
175.11285	0.4
176.12057	0.2
179.05588	0.7
191.14435	0.4
210.18935	0.2
215.75319	0.2
217.15918	0.5
229.19516	0.2
247.20671	7.6
248.20992	0.6
253.09290	14.6
254.09569	0.5
273.18591	3.9
274.18805	0.4
291.19653	100.0
292.16803	0.4
292.20016	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01368	13.5
71.01383	19.9
71.51395	2.8
72.99320	3.9
75.00880	15.5
80.96523	5.2
85.02955	19.5
87.00887	9.3
89.02455	5.7
95.01414	5.8
99.00874	11.5
103.00404	3.0
113.02455	32.6
113.03166	2.8
117.01975	3.1
149.90129	1.9
175.02458	4.2
205.07365	2.4
229.05258	2.0
249.06215	9.1
254.29700	1.9
267.07251	6.2
277.21729	48.5
277.44354	2.2
278.22226	2.5
291.20447	2.2
312.33954	1.9
320.75034	1.9
333.22876	2.0
345.49841	2.1
509.27560	2.6
527.28754	100.0
528.29193	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58090	0.2
56.88322	0.3
57.03461	0.9
58.45185	0.3
59.01382	1.5
61.98829	100.0
63.46811	0.3
71.01393	0.8
72.99329	0.3
74.05716	0.3
75.00884	0.4
80.03019	0.3
83.01359	0.3
85.02969	1.3
88.98814	0.9
96.96014	2.3
98.19879	0.7
98.95592	0.7
101.02415	0.3
121.02971	0.5
126.90512	0.3
138.02010	0.7
143.41685	0.3
147.03052	0.4
149.98212	0.3
153.05565	0.5
163.70265	0.3
173.74960	0.3
191.02101	0.5
197.04602	1.1
198.04933	0.6
229.30025	0.3
255.03128	0.4
271.02557	0.9
300.02771	1.7
301.03632	0.8
321.74954	0.3
327.07376	0.6
328.07611	0.5
463.08841	1.8
466.94580	0.3
467.25198	0.3
511.23587	0.3
526.07642	1.6
526.18353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.01371	2.4
61.98830	3.5
69.43359	2.1
71.01382	1.2
72.99319	0.3
73.02951	0.5
74.64430	0.3
74.75203	0.3
78.95905	0.5
83.01419	0.4
85.02950	2.3
88.98778	0.5
89.02429	0.7
96.96008	4.9
97.02975	0.5
98.95601	2.2
98.96432	0.4
99.00879	0.5
99.04527	1.1
99.92583	15.0
100.92636	0.4
100.93389	0.9
101.02426	1.2
111.00884	0.4
113.02439	0.5
114.94955	1.9
115.92078	13.1
116.92858	100.0
117.92880	3.1
117.93629	0.5
125.02452	0.5
126.90508	30.4
129.01930	0.3
135.04524	0.7
137.02539	0.4
138.98579	0.5
139.95636	0.5
141.42879	0.3
141.93626	0.4
156.95964	0.6
158.93892	1.1
161.04535	1.1
166.88916	0.3
171.03712	0.3
179.03598	0.3
182.97510	2.7
183.94670	1.2
184.95461	0.5
191.02077	0.6
200.95006	0.3
211.13414	0.3
226.96513	12.0
227.96857	1.0
284.03094	0.7
298.98602	0.4
301.03238	0.8
302.03848	0.6
310.98633	0.4
347.02042	0.5
361.15079	0.4
365.03198	0.7
366.04111	0.4
385.82239	0.4
399.12112	0.6
404.00629	0.4
425.05084	0.4
446.08453	0.9
447.07370	0.4
467.24515	0.9
491.06470	4.7
492.06436	0.4
527.08582	24.1
527.61115	0.8
528.08990	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.6
61.98831	100.0
62.98545	0.4
65.76146	0.4
66.59658	0.4
71.01385	0.5
78.04716	0.4
85.02968	0.9
87.04515	35.1
88.04845	0.4
98.20652	1.3
102.71438	0.3
116.92928	0.5
191.02101	0.5
233.15562	0.8
291.19760	1.2
337.09302	0.4
371.68469	0.4
419.22980	0.6
422.25919	0.4
423.27380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
60.99309	0.4
61.64861	0.3
61.98830	100.0
66.90646	0.3
71.01388	1.1
78.95920	0.3
81.90665	0.3
82.94607	0.3
83.01425	0.4
85.02953	2.1
87.00857	0.3
88.98798	1.8
89.02474	0.8
96.96032	1.1
97.02975	0.5
97.16043	0.3
101.02463	0.7
104.62995	0.3
112.60358	0.3
116.92825	0.3
120.68658	0.3
121.02961	0.7
122.03308	0.4
126.90544	0.6
147.03032	0.5
149.04561	0.3
151.00385	0.6
153.05617	0.7
154.05878	0.4
178.99867	0.3
197.04512	1.9
198.04990	1.4
203.02071	0.5
207.16734	0.3
226.02863	0.3
243.03038	0.5
247.84801	0.3
255.02898	1.5
266.51831	0.3
271.02463	3.8
272.02838	0.5
276.97369	0.3
300.02737	7.2
301.03436	3.0
313.12106	0.5
463.08789	9.5
464.09183	0.6
466.18433	1.5
466.24884	0.5
526.17773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83192	0.5
58.47686	0.5
59.01073	1.1
59.01379	28.7
61.98830	100.0
62.37396	0.5
69.51713	1.1
69.52118	2.3
71.01028	0.6
71.01365	3.6
78.95915	0.9
85.02950	1.5
87.04511	25.3
89.02444	3.1
92.19863	0.5
101.02455	4.1
113.02463	0.8
116.92847	0.8
119.03497	1.0
161.04492	1.2
163.11290	1.6
165.12813	6.2
179.14514	0.8
193.15999	1.2
209.11839	0.7
247.20592	4.4
253.09265	14.1
273.18579	1.9
291.19650	83.2
377.21649	0.7
419.22827	0.8
521.45435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	8.6
69.32288	7.8
69.32696	2.4
98.19862	2.4
101.96035	1.1
107.01335	1.6
121.02979	1.8
129.32703	1.1
151.00369	8.3
158.13033	1.1
163.00377	1.8
178.99797	5.0
227.03447	1.9
243.02939	5.4
254.02141	1.9
255.02950	16.5
271.02435	42.1
272.02780	2.7
300.02728	85.8
301.03491	33.7
315.12775	1.3
344.98050	1.3
400.46680	1.4
463.08789	100.0
464.09106	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	526.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.8
58.00581	1.8
58.71047	1.4
59.01113	2.2
59.01379	30.2
61.98809	4.8
69.33595	8.4
69.34006	2.3
69.87464	1.4
71.01389	27.5
72.99309	16.4
73.02949	4.8
75.00870	58.4
76.85114	1.5
83.01415	2.2
85.02951	21.0
86.00526	1.7
87.00869	6.2
89.02436	23.0
92.99393	1.6
95.01367	2.6
96.95991	6.5
98.20614	2.4
99.00897	2.8
101.02451	17.5
108.74744	1.3
111.00858	4.0
113.02440	9.5
115.00353	7.6
116.05062	63.6
117.01950	1.6
117.05443	1.7
119.03503	7.4
125.02472	1.6
128.05067	18.3
129.01897	2.4
130.06619	12.9
132.04520	2.3
135.03000	46.9
143.03552	1.9
144.04541	1.9
154.06607	4.3
156.08156	6.6
157.05319	2.9
158.06108	90.9
159.02917	2.0
159.06415	1.7
161.04588	19.4
166.06624	4.6
170.05927	2.0
172.04015	3.5
175.02463	4.9
179.05676	2.0
184.07661	11.7
200.07104	2.2
210.05588	100.0
211.05907	3.9
226.05022	7.0
246.07704	3.2
299.94879	1.5
305.04294	1.6
320.11331	8.9
364.14124	12.9
390.11902	7.5
406.11301	4.6
408.12964	99.8
409.13205	6.0
491.05069	1.8
526.12311	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	525.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
57.03433	0.9
58.00583	3.3
58.79752	0.7
59.01379	86.1
61.98817	2.8
69.66526	3.9
70.96689	0.6
71.01382	60.9
72.99301	3.7
73.02942	7.5
75.00874	2.5
83.01389	2.1
85.02957	8.6
87.00901	4.5
88.98803	1.2
89.02444	100.0
90.02780	0.8
96.96001	2.5
98.20090	2.0
98.20672	0.7
101.02442	50.0
103.00365	2.7
108.36800	0.7
110.61044	0.8
113.02448	11.7
116.92849	1.7
119.03498	6.6
125.02463	1.4
129.02011	0.9
131.03505	34.5
131.04492	1.7
135.04562	1.0
143.03505	2.7
143.63634	0.7
149.04556	93.2
150.04860	1.0
153.07724	0.8
161.04527	2.9
164.53624	0.7
191.05614	19.7
197.11740	1.3
251.07823	1.6
281.08633	2.0
285.45575	0.7
289.18201	1.2
293.08807	1.9
311.09836	3.7
341.06528	1.1
525.27173	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	525.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53012	1.4
58.00589	2.0
59.01380	64.4
61.59713	1.7
61.98825	12.0
69.03460	1.6
69.25995	7.1
69.26421	4.7
71.01380	44.7
72.99319	2.7
73.02953	4.4
75.00871	78.2
76.28542	1.3
76.91307	1.6
78.95908	2.2
83.01397	1.4
85.02946	8.5
87.00899	3.3
88.98804	6.1
89.02448	68.8
101.02439	35.6
103.00375	100.0
113.02444	8.3
113.03159	1.3
116.92866	2.2
119.03488	4.3
131.03505	27.6
149.04547	70.1
150.04810	1.5
161.04550	1.9
191.05624	12.8
207.10286	1.9
239.12895	3.0
253.09213	1.9
311.09711	1.7
328.22162	1.5
525.20514	5.7
525.27454	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61392	0.2
57.03430	0.6
59.01377	0.7
63.02384	0.4
65.00324	0.6
67.01891	0.3
71.01382	0.8
72.99316	0.2
75.00867	0.4
78.43442	0.2
80.90115	0.2
83.01383	0.6
85.02942	2.3
89.00325	3.3
91.01907	1.3
95.01393	1.1
96.96000	1.2
98.20663	0.6
98.95603	0.4
99.00915	0.4
99.04522	0.6
99.92597	0.9
106.00616	3.1
111.00874	1.0
112.98834	0.3
113.02470	0.3
121.02951	42.5
122.03339	0.8
123.00877	5.5
125.02453	0.3
127.00397	1.2
129.01978	1.2
129.02751	0.2
136.98759	0.8
137.02441	0.7
137.99652	0.3
138.03207	3.5
139.00354	1.2
139.03951	0.7
141.02003	0.3
147.03006	0.6
153.05568	29.8
154.02711	0.3
154.05899	0.6
154.99808	0.5
165.03998	0.4
166.99852	5.3
181.01382	0.5
182.02203	14.8
183.02768	0.4
191.01982	0.5
196.03738	0.4
197.04539	100.0
198.04897	2.6
205.01367	0.2
218.24001	0.3
283.08231	1.2
312.44577	0.3
327.07166	11.0
328.07587	0.8
345.08200	4.2
359.09875	0.8
379.08691	0.3
386.86246	0.3
525.11237	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.7
59.01380	27.7
60.99304	2.5
61.98820	13.1
62.11967	1.6
71.01386	18.6
71.41374	1.6
71.41747	2.0
73.02947	3.8
78.71314	1.5
78.95893	2.3
79.95728	2.4
82.95390	1.8
83.01392	2.6
83.05035	4.8
85.02949	19.4
87.00872	2.1
88.98802	19.0
89.02452	8.1
96.96014	18.9
99.00894	3.2
99.04512	3.9
101.02448	14.7
111.00857	2.4
113.02456	6.8
116.92876	5.5
119.03489	2.3
122.66428	1.6
125.02465	2.7
129.01953	4.4
131.03459	2.3
143.03520	2.2
147.02991	1.6
148.03975	2.9
149.04486	2.3
161.04550	7.7
163.11281	3.1
166.05043	2.4
191.01965	4.2
191.10806	2.0
209.02907	2.1
209.11823	100.0
210.12160	2.2
227.12849	15.5
253.09196	13.6
254.13786	2.9
287.18649	3.9
300.02829	3.2
331.17587	2.7
341.41956	1.6
346.11127	2.0
361.18640	3.2
371.90442	2.0
433.07669	2.5
463.21475	18.5
523.11218	17.6
523.19409	9.6
523.27124	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	524.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98831	100.0
67.26451	0.2
70.34342	0.2
71.01390	0.8
71.52505	0.3
72.98113	0.2
73.02941	0.3
73.86597	0.2
75.89137	0.2
78.95917	1.1
80.96550	0.3
85.02954	0.8
89.02464	0.4
96.96031	0.5
101.02448	0.2
105.80515	0.2
113.02477	0.3
116.92874	0.3
129.09245	0.4
133.19086	0.2
140.01233	0.4
141.09221	0.5
152.99667	0.2
155.10844	0.4
171.10278	0.6
178.91803	0.2
183.99974	0.2
185.11746	1.1
197.11806	1.2
209.11960	0.5
214.04874	0.3
291.19696	0.3
300.04211	0.2
309.20694	0.5
327.21790	2.9
523.33948	0.3
524.18951	0.9
524.26508	3.2
524.34161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.0
59.71902	0.6
61.98832	100.0
62.95388	0.8
71.01385	3.9
71.52119	0.9
71.53149	0.7
85.02937	1.2
154.77728	0.6
322.86285	0.8
343.17584	8.6
377.78128	0.7
385.18619	0.9
519.06744	0.7
524.20886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
59.01387	6.4
60.55249	0.8
61.98840	1.0
67.01892	1.1
69.43237	5.3
71.01374	5.1
72.99299	1.3
73.02935	1.6
75.00880	4.0
83.01384	2.7
85.02946	13.4
87.00872	2.8
89.00311	2.6
89.02435	1.0
91.01921	1.2
93.03440	0.7
95.01377	1.7
96.95984	3.2
99.00850	1.4
101.02441	2.1
106.00583	3.1
109.02926	1.3
111.00864	3.3
111.08127	1.2
113.02454	1.1
115.00391	1.3
119.05033	0.9
120.01245	1.0
120.99398	0.9
121.02951	38.5
122.03271	1.0
123.00883	7.6
125.02470	0.9
125.99560	1.6
127.00392	1.1
129.01927	8.0
137.02461	5.4
137.99590	1.1
138.03235	4.6
139.00391	1.8
139.03976	0.8
147.02980	2.7
151.03888	0.9
153.01912	1.8
153.05566	32.8
154.02541	0.9
154.05829	0.9
155.03397	0.9
161.04543	0.8
165.01892	1.0
166.99863	6.5
173.00882	1.7
175.02431	1.6
181.01376	3.2
182.02203	21.3
183.02943	1.5
183.06580	0.9
187.06119	0.8
191.01971	2.6
195.02940	2.6
196.03775	4.2
197.04543	100.0
198.04834	3.0
209.03033	1.3
211.05983	0.9
218.27307	0.8
229.29443	0.8
268.05740	1.2
283.08231	7.1
309.05942	1.0
327.07184	49.7
328.07480	2.4
345.08206	7.6
361.18604	3.0
379.08807	1.7
381.08017	1.2
525.10443	2.3
525.18384	1.1
525.25836	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	523.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
58.05931	0.3
59.01377	2.6
61.98825	1.6
63.96240	1.0
69.03452	0.3
70.71242	0.6
71.01382	7.1
72.99312	0.3
73.02957	1.6
78.98593	4.5
79.95735	7.3
80.96519	52.4
81.03447	0.8
83.01395	0.5
85.02951	3.1
87.00884	2.3
88.98784	0.4
89.02430	0.4
93.55645	0.3
94.98083	12.2
96.96024	1.1
97.02925	1.4
99.00875	0.5
101.02452	2.8
106.98089	2.3
111.00863	0.4
113.02451	0.5
116.92905	0.6
122.97593	4.4
125.02475	3.0
127.03985	1.0
134.97597	3.5
135.04538	0.5
136.99156	1.0
143.24680	0.3
146.97652	0.4
148.99138	5.1
152.98642	6.5
158.75911	0.3
164.98625	11.5
167.00148	0.6
182.99654	2.0
188.98576	0.3
195.13962	0.6
205.12332	0.6
206.99704	3.5
222.44382	0.3
223.13417	2.3
225.00746	17.7
226.00911	0.3
243.01772	1.9
273.47360	0.4
287.16428	0.5
299.04279	2.6
325.20306	0.7
505.82932	0.3
522.33643	0.4
523.18536	100.0
524.18964	7.3
524.25940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01379	4.3
61.98829	6.8
63.96241	0.7
67.06940	0.6
69.03476	0.5
71.01385	8.1
72.99300	0.6
73.02929	1.3
75.00880	0.7
78.91902	0.6
78.98595	5.1
79.95734	7.9
80.96519	52.6
83.01392	0.9
84.48486	0.5
85.02967	4.4
87.00898	2.6
88.98792	1.5
89.02442	1.1
94.98083	13.0
96.96005	2.2
97.02943	1.2
99.00877	0.6
99.04539	0.5
101.02475	2.5
101.94353	0.5
106.98074	2.6
116.92851	1.4
122.97557	2.2
125.02436	2.9
126.90455	0.6
134.97592	3.9
136.99103	1.2
148.99120	4.9
152.98596	4.5
161.04532	0.7
164.98634	10.2
167.00165	0.7
167.10773	0.6
188.98695	0.6
195.14024	0.6
206.99666	2.6
213.14851	0.8
223.13394	1.2
223.50285	0.6
225.00725	15.4
296.02545	0.7
299.04373	2.5
364.79816	0.5
402.07474	0.6
523.18549	100.0
523.34851	2.2
524.18866	8.8
544.55341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
59.01373	0.9
60.81734	0.1
61.98829	100.0
63.32455	0.1
69.33891	0.7
69.34313	0.4
80.91690	0.5
85.02972	0.4
85.10633	0.1
87.22122	0.1
98.19850	0.3
109.75460	0.1
149.00902	0.1
162.34436	0.1
191.02032	0.2
223.13437	0.3
224.13823	0.3
225.14102	0.2
226.14639	0.2
322.33069	0.1
348.03030	0.2
372.15317	0.2
521.32855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87627	0.6
57.03448	23.3
59.01379	11.4
69.35362	5.3
71.01371	5.8
73.02940	2.5
74.20643	0.6
75.00882	0.8
79.95745	3.7
80.96516	1.1
85.02952	3.0
87.00853	0.7
89.02442	4.8
96.04617	0.7
96.96011	31.4
99.03920	1.4
99.04514	15.7
101.02438	10.8
113.02473	3.3
119.03493	1.9
119.05025	3.8
125.02441	1.6
143.03481	1.1
160.85973	0.6
161.04544	9.3
164.98563	2.4
191.01952	0.7
209.02878	0.9
233.75284	0.7
241.00125	0.7
281.10297	1.2
299.11389	1.3
308.81686	0.6
361.05893	2.5
379.07034	7.4
421.08075	0.9
443.15509	1.6
461.11188	3.8
463.09100	1.5
463.21765	0.9
523.11224	100.0
523.27765	2.3
524.11383	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06741	0.3
55.01885	1.9
57.03448	15.2
59.01381	17.3
61.98822	2.5
68.99850	0.3
69.03457	0.5
69.98964	0.3
71.01382	18.0
72.01720	0.3
72.99303	1.2
73.02945	7.8
75.00872	0.8
78.95900	2.4
79.95736	3.2
80.96507	0.6
83.01382	5.8
84.02186	0.4
85.02953	13.2
87.00871	1.6
88.98812	0.6
89.02439	1.7
95.01382	1.9
96.96012	19.4
97.02976	0.5
97.06570	0.7
98.19864	0.7
98.20552	1.5
99.00888	3.4
99.04521	10.8
101.02441	21.4
111.00890	3.2
111.08186	0.5
113.01716	0.6
113.02454	7.6
116.92869	0.7
119.03519	0.7
123.08167	1.6
125.02485	1.6
125.09708	0.3
126.90516	0.4
129.01936	1.6
137.02362	0.4
137.09738	0.8
140.01213	0.7
141.09206	0.9
141.12895	0.4
143.03511	0.6
155.10796	1.3
157.12241	0.4
159.02948	1.6
161.04556	8.5
164.98624	0.8
167.10808	0.4
169.12318	0.8
171.13884	0.9
180.98161	0.4
185.11772	0.4
187.13402	1.6
196.03819	0.5
197.11816	0.9
200.14240	0.9
201.14967	1.2
209.02979	0.3
209.11865	2.0
277.21643	0.4
297.13425	1.5
307.19061	1.3
325.20251	0.7
333.19254	0.5
341.26736	0.4
359.07950	1.3
359.28024	15.3
360.28513	1.0
362.19489	1.8
377.09161	4.2
378.09314	0.4
419.10364	0.4
441.17468	0.6
454.54370	0.4
459.13113	1.6
461.11185	0.9
461.31094	0.6
479.31915	0.5
491.19165	1.4
503.19257	1.3
521.13348	50.8
521.33289	100.0
522.13635	5.9
522.24750	4.3
522.33649	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	522.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
61.98830	100.0
71.00824	0.4
71.01389	0.2
73.32693	0.2
74.30061	0.2
79.69249	0.2
85.02940	0.4
87.00901	0.2
88.98828	0.3
120.93577	0.2
223.13373	0.2
224.13823	0.2
225.14075	0.2
327.75021	0.2
411.02063	0.2
443.06720	0.2
466.31177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03447	7.1
58.00578	2.1
59.01378	70.9
59.98505	1.3
61.98819	3.0
69.03461	2.5
71.01382	67.3
71.42093	1.4
72.99306	4.3
73.02959	7.8
75.00852	1.3
78.74355	0.9
80.96509	1.1
81.03467	5.6
81.03880	1.0
83.01397	3.0
83.07579	0.9
85.02950	13.7
87.00888	6.9
89.02444	83.1
95.01384	2.3
96.96013	15.2
96.96970	2.0
97.02950	3.6
99.00922	1.3
99.04519	2.2
99.92583	4.0
101.02447	22.8
108.02179	3.9
108.14598	1.1
109.02959	3.5
111.00883	5.0
113.02448	14.0
113.06082	4.3
115.92075	3.1
116.92860	29.9
117.92861	1.3
119.03522	3.0
125.02444	20.1
131.03499	23.9
137.02458	1.2
139.04033	1.4
143.03516	2.3
149.00940	1.1
149.04556	40.6
152.01132	4.1
153.01880	1.3
161.04572	1.4
167.10771	100.0
168.11131	2.4
189.20786	1.1
191.05602	8.9
215.01875	1.0
226.96515	3.5
233.06667	3.4
293.08765	64.1
294.09354	1.1
329.06213	1.0
354.16199	1.3
359.28067	5.0
363.07529	1.9
390.14462	1.0
477.17526	1.6
521.13086	24.2
521.24976	2.0
521.33325	35.8
522.14038	2.5
522.33832	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	521.2523
Annotation	Cognatine
Peak:m/z	Relative Intensity
50.34476	0.6
52.70386	0.7
57.03445	0.7
59.01366	2.8
60.35131	0.6
61.98823	2.9
69.14610	2.6
69.15045	3.5
78.95905	27.5
83.04987	0.6
87.86312	0.6
93.52490	0.6
96.96938	2.6
98.23808	0.6
101.02472	0.9
134.03717	1.2
145.08546	0.6
150.97958	0.7
152.99588	39.5
165.52277	0.6
171.00626	3.5
178.02676	1.2
179.14409	1.2
181.12311	1.2
181.65431	0.6
192.04227	0.7
195.12288	1.1
195.13907	11.9
196.14555	1.2
205.12367	1.3
205.16035	1.1
223.13382	6.3
227.03239	3.2
245.04276	2.0
275.20065	3.7
293.21228	53.4
294.21500	2.6
403.17719	1.0
429.20358	1.2
452.18381	0.9
521.25195	100.0
522.25531	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	521.2029
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.11932	0.4
55.01863	1.7
57.03442	3.0
57.53392	0.4
58.00561	0.8
59.01377	20.7
61.98833	2.6
71.01380	19.4
71.52185	0.5
72.99288	1.9
73.02946	5.5
75.00850	1.4
78.95893	0.5
83.01392	4.4
85.02947	15.7
86.00086	0.8
87.00882	2.5
88.98806	0.6
89.02436	7.4
95.01385	2.4
96.96018	4.4
99.00875	2.2
99.04525	0.5
101.01806	0.7
101.02448	13.3
108.02131	1.1
109.02253	0.6
109.02953	11.0
110.24689	0.4
111.00903	2.1
113.02447	6.0
116.92820	1.6
119.03504	3.5
121.02203	0.5
121.02967	6.1
122.03709	1.1
123.00852	0.9
123.04514	2.1
124.01572	0.6
125.02415	0.5
126.90462	0.7
127.00313	1.0
129.01898	1.3
131.03467	0.7
133.02901	0.6
134.03702	0.8
135.02966	0.7
135.04527	2.1
137.02400	0.7
137.06015	0.4
143.04944	0.6
145.02849	0.6
147.02975	1.1
147.04456	0.9
149.02432	0.8
150.03258	2.2
151.03874	0.5
152.01082	0.6
153.05582	4.2
158.03719	1.4
159.03131	0.6
159.04504	7.5
160.04086	0.9
160.05281	9.6
161.02408	1.7
161.04541	1.9
161.06029	3.7
163.04005	2.3
164.04762	1.9
165.05681	0.5
167.03485	1.3
171.04488	0.6
172.05255	1.6
173.06079	5.3
175.07639	9.9
177.05614	2.9
178.06418	2.1
179.03432	1.4
179.05571	1.6
179.63916	0.5
182.02264	0.7
185.06055	0.5
187.07579	1.0
189.05580	3.1
190.06311	1.3
191.01945	0.9
191.07098	1.6
193.05074	0.6
193.08681	0.9
197.04547	14.4
203.07132	1.5
205.08701	1.0
209.03001	0.8
213.05547	0.6
240.04288	1.4
241.05089	7.8
251.04346	0.5
253.04996	0.5
255.06612	4.3
267.06586	0.6
269.08090	1.2
277.59894	0.5
280.07321	0.7
281.08124	2.1
283.09680	0.9
295.09744	1.6
296.10342	1.2
298.08270	1.0
299.09183	4.9
311.09213	1.5
311.12662	0.6
312.09863	0.9
313.10846	6.7
314.11420	0.8
326.11649	1.7
327.12354	1.0
329.10345	3.2
329.13916	41.2
330.14307	1.5
337.15823	0.5
341.10818	0.8
341.14032	1.8
343.11829	1.4
344.12610	26.6
345.13123	2.6
359.09943	6.8
359.14938	70.4
360.15240	3.7
461.20126	0.5
521.20233	100.0
522.20538	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01377	2.7
61.98823	0.5
63.64870	0.3
71.01379	3.5
73.02949	0.9
79.95755	0.6
83.01386	0.6
85.02953	4.2
86.20821	0.3
86.54310	0.3
89.02443	1.0
89.35983	0.3
93.03421	0.6
95.01347	0.3
96.96005	2.4
99.00829	0.3
101.02428	1.7
109.32375	0.3
111.00852	0.9
113.02435	1.2
121.02940	3.2
122.03744	1.1
123.00862	1.0
123.04507	0.7
126.90524	0.5
129.01964	0.8
135.04510	1.4
136.05341	1.1
136.98550	0.3
137.02420	0.8
137.06117	0.5
143.05016	0.9
147.04514	1.5
149.02429	1.8
150.03223	4.7
151.03914	0.5
153.05586	0.7
158.03760	2.1
159.03178	0.5
159.04501	7.1
160.05293	22.6
161.04564	1.2
161.06061	6.5
163.02763	0.5
163.04010	4.9
164.04799	5.3
165.05507	0.3
173.06055	3.1
175.07632	23.0
176.04840	0.5
176.07968	0.7
177.05551	6.3
178.06346	6.4
179.03502	0.5
191.01968	1.0
192.07924	1.2
192.27170	0.3
193.05127	0.4
193.08694	2.8
197.04539	0.4
205.03575	0.3
209.03159	0.5
223.04634	1.8
241.05066	0.3
255.03024	0.4
256.07532	0.4
263.45883	0.3
271.02451	0.6
300.02658	1.3
301.03442	0.6
314.11572	1.1
315.08954	0.6
329.13919	100.0
330.14227	6.0
341.08807	0.4
359.14996	5.1
461.20062	0.5
463.08960	1.8
521.09515	0.5
521.20160	1.7
521.27051	0.6
521.33185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
52.24101	0.3
59.01382	0.8
70.10055	0.3
71.01374	1.8
73.02927	0.4
78.95944	0.2
85.02941	2.0
89.02417	0.3
96.96012	0.7
101.02442	1.0
108.02168	0.7
109.02949	13.5
110.03288	0.3
113.02463	0.5
116.92911	0.3
123.04552	0.4
128.03653	0.3
129.01894	0.4
158.03636	0.4
159.04507	6.1
159.29208	0.3
161.04578	0.6
161.06017	0.4
171.04492	0.4
173.06064	4.2
185.06108	0.4
189.05580	4.7
190.06378	0.5
191.07121	2.9
195.04259	0.3
203.07140	2.5
205.08684	0.3
213.05562	1.2
225.05571	0.4
240.04225	1.7
241.05040	10.2
242.05338	0.6
255.06647	7.7
256.07083	0.5
258.62228	0.3
265.08698	0.6
267.06580	1.0
269.08121	2.1
281.08139	1.1
283.09650	0.8
295.09824	0.8
296.10547	0.4
298.08447	0.9
299.09250	6.9
311.09149	0.4
313.10800	10.0
314.11249	0.8
315.12347	0.3
326.11713	0.3
327.12054	0.6
328.09338	0.3
329.10297	5.1
330.10620	0.4
343.11856	2.0
344.12625	36.2
345.13013	2.1
359.14987	100.0
360.15320	6.3
391.64905	0.3
461.20218	0.7
482.49585	0.3
521.20245	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	521.2027
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01866	1.5
57.03448	3.1
58.00592	1.0
59.01381	25.6
61.82051	0.6
61.98824	4.7
69.17825	5.9
71.01383	15.4
71.81050	0.6
72.99301	2.1
73.02937	4.0
75.00886	1.0
79.95746	0.6
83.01388	4.2
85.02951	9.8
86.00108	0.9
87.00877	3.5
88.98798	1.1
89.02453	4.0
95.01366	1.3
96.96017	26.3
98.20104	2.6
99.00868	1.8
99.04482	1.9
101.02444	9.6
103.00378	0.7
109.02939	1.2
111.00877	1.5
113.02453	4.4
114.93405	2.1
115.51740	0.7
116.92870	1.1
119.03485	1.4
121.02941	5.3
125.02451	2.1
125.23627	0.6
129.01976	1.1
133.02884	0.6
134.03680	1.1
136.71771	0.7
146.03799	0.7
147.03020	0.7
147.04472	0.7
159.04486	2.8
161.02451	0.8
175.65326	0.7
191.01949	0.9
197.04530	0.8
205.05074	1.0
212.04851	0.7
225.11450	0.6
235.07680	0.8
239.06958	0.7
240.04288	1.4
253.08789	1.0
255.06744	1.8
263.06989	1.2
265.08752	1.2
267.06595	2.1
268.07339	3.7
269.08139	5.2
270.08875	2.6
277.08801	0.7
279.10336	0.8
280.07336	1.2
281.08224	8.8
282.08868	4.1
283.09680	5.7
293.08246	3.2
294.08981	1.3
295.09778	4.0
296.07004	0.8
296.10468	2.8
297.11234	0.8
299.09189	3.7
300.09882	1.6
302.07794	0.8
309.11124	0.9
311.09201	2.8
312.10141	1.7
313.11047	1.1
314.07938	1.9
314.11600	7.4
315.12332	4.5
322.66077	0.7
325.10895	1.3
326.11606	10.2
327.12357	6.6
329.13925	10.0
330.14355	0.7
340.09598	1.3
341.13885	7.5
343.11874	2.2
355.11749	4.7
369.13489	0.8
385.14786	1.7
386.15964	0.7
401.18112	3.2
423.18646	1.2
428.54321	0.6
445.15390	0.9
451.44031	0.8
461.14624	1.8
473.14465	4.5
476.16922	9.4
477.23068	1.3
488.16943	7.4
491.19226	100.0
492.19540	7.0
503.19235	89.1
504.19568	7.3
521.13318	0.7
521.20203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01864	1.6
57.03437	2.1
58.00584	1.2
59.01380	28.9
66.93922	0.4
71.01382	19.7
71.51457	0.7
72.99303	1.9
73.02946	3.9
76.10509	0.4
83.01392	4.0
85.02460	0.7
85.02950	9.7
87.00865	1.9
88.98798	0.6
89.02441	11.7
95.01371	1.7
96.96001	1.5
99.00893	1.6
99.04475	0.7
101.01798	1.0
101.02444	15.8
108.02166	0.8
109.02934	6.8
111.00907	0.8
113.02458	6.8
119.03484	4.0
121.02927	3.7
123.04504	1.3
126.90502	0.5
129.01942	0.8
131.03534	0.6
134.03781	0.5
135.04504	1.4
143.03488	0.9
152.01210	0.5
153.05591	2.4
159.04494	3.6
161.04562	1.5
167.03506	0.6
169.01614	0.5
172.05251	1.1
173.06075	2.8
179.03535	1.1
182.02145	0.6
187.07668	0.7
189.05537	2.1
190.06277	0.6
191.01921	0.9
191.07016	1.0
193.05138	0.5
195.06538	0.4
197.04539	7.5
203.07191	1.0
205.08682	0.7
241.05037	6.0
253.05087	1.2
253.08586	0.5
255.06587	3.7
267.06583	1.0
268.07373	0.7
269.08139	0.7
281.08215	1.6
283.09827	1.1
295.09741	2.0
296.10461	1.1
298.08481	0.8
299.09241	4.1
311.09140	3.5
313.10831	5.7
315.12296	0.5
325.10699	0.7
326.11615	3.6
327.12219	1.0
329.10266	3.2
329.13815	0.8
341.13919	3.5
343.11957	1.1
344.12622	20.8
345.13135	1.9
359.14978	52.5
360.15326	3.0
385.04315	0.5
406.09305	0.5
461.20490	0.8
521.20233	100.0
522.20667	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	521.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03451	29.2
59.01382	24.7
61.98837	3.3
65.97775	0.5
67.49174	0.5
69.03464	0.5
70.71634	1.3
71.01385	15.9
72.99319	1.2
73.02951	7.3
75.00847	0.5
78.95909	1.2
79.95744	5.7
80.96503	1.1
81.03444	1.0
82.96869	0.5
83.01392	4.6
85.02943	11.1
86.00143	0.5
87.00859	1.8
88.98765	0.7
89.02449	2.0
95.01376	1.8
96.96016	36.3
97.02948	1.1
97.06585	0.5
98.20132	0.5
99.00878	2.4
99.04523	18.4
101.02445	20.8
108.02181	0.5
111.00864	1.8
113.02451	6.8
116.92859	0.8
117.89288	0.5
119.03466	0.9
123.08116	1.5
125.02438	2.1
129.01942	1.2
133.50926	0.5
135.04491	0.5
139.07671	0.6
141.09203	0.9
141.12866	0.7
143.03487	1.2
143.72702	0.6
151.03978	0.6
159.02945	1.5
161.04555	14.2
164.98631	1.1
167.60237	0.5
171.13860	0.8
180.98141	0.6
187.13406	1.3
197.04463	0.4
201.15001	0.8
204.40681	0.5
209.03014	0.5
223.13374	0.6
226.03102	0.5
241.00211	0.9
297.13492	2.9
307.19247	0.7
325.20129	0.6
344.36758	0.5
357.26709	0.6
359.08017	2.3
359.28021	10.4
362.19379	0.8
377.09100	8.9
441.17581	1.0
459.13150	2.4
461.11157	1.5
461.31073	1.7
479.32346	0.9
503.18976	0.7
521.13348	100.0
521.33325	73.3
522.13757	5.6
522.24609	2.1
522.33539	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1299
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
57.03456	1.2
59.01370	1.3
61.98843	0.9
68.99585	1.1
69.48141	0.3
69.48470	2.0
71.01402	0.9
81.03487	0.7
83.01421	0.3
85.02963	0.8
88.98792	1.6
90.69745	0.3
95.24827	0.2
96.96017	10.1
97.58491	0.3
98.19995	0.4
99.92595	0.3
101.02484	0.9
101.54443	0.3
103.92127	0.2
111.00859	0.3
112.98582	1.1
113.02443	0.5
113.06094	1.7
114.93418	0.4
116.92849	0.4
121.02961	0.9
139.04034	0.8
148.01692	0.3
148.98840	0.3
149.02446	2.8
149.99608	0.3
153.01959	0.9
161.02443	0.3
164.98364	0.5
170.03737	0.6
172.01683	0.7
175.00368	4.9
176.00693	0.4
186.03268	0.7
193.01303	0.3
198.03255	0.5
202.02731	1.6
214.02695	1.8
222.99174	0.5
226.02898	0.3
230.02185	2.8
241.00180	0.6
242.02173	3.2
257.00906	0.3
258.01688	7.3
269.00964	0.9
270.01633	4.6
271.02255	0.5
273.04053	0.6
283.02374	0.6
285.00699	0.6
285.04041	1.7
286.01190	19.0
287.01346	1.0
295.99802	0.5
297.00491	1.4
301.03506	5.2
311.02087	0.6
312.99783	0.5
314.00690	12.7
315.01169	0.5
315.04956	0.4
329.03018	53.9
330.03445	2.6
344.05347	30.3
345.05603	1.5
359.07706	100.0
360.08112	4.9
399.05957	7.2
400.06293	0.4
521.09528	3.6
521.33472	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	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.3
71.00277	0.6
78.42724	0.2
78.95905	43.5
81.34264	0.2
96.96959	6.2
111.81084	0.2
120.89999	0.3
122.31469	0.2
124.09286	0.2
150.98021	1.0
152.99582	100.0
153.99944	0.8
171.00630	3.7
191.49277	0.2
276.11249	0.3
279.23248	0.8
433.23581	26.5
434.23804	1.9
513.35913	0.2
520.26764	6.0
521.27106	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	521.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60017	0.6
57.03450	23.4
59.01381	20.4
61.98832	7.8
64.82657	0.6
71.01382	10.1
71.52052	0.9
72.99300	0.6
73.02941	1.7
75.00874	1.5
78.63377	0.6
79.95746	2.8
83.01397	1.4
85.02951	7.2
87.00885	3.0
88.98798	2.0
89.02434	4.1
96.96012	100.0
97.06582	0.7
99.00884	0.8
99.04520	25.4
101.02436	10.8
107.01323	0.7
111.00835	0.6
113.02438	2.6
115.92095	0.7
116.92873	3.0
119.03535	0.8
123.04530	1.0
125.02436	3.6
131.03484	1.1
135.04512	3.4
143.03467	1.0
149.04564	1.3
153.05505	0.7
155.03329	0.6
161.02470	1.3
161.04556	20.9
167.10779	21.1
179.93506	0.7
191.01906	1.8
197.04587	0.9
209.03067	1.1
222.99112	2.2
241.00241	7.4
245.27568	0.8
255.15994	0.6
257.17487	1.0
283.01315	1.0
293.08731	3.3
305.08728	1.2
323.04361	3.6
325.02332	3.5
327.15875	0.8
385.04456	62.0
386.04642	2.2
419.22888	1.3
461.19803	1.1
477.23529	1.6
521.09637	62.2
521.26178	4.0
521.32977	3.6
522.10083	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	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35964	0.3
57.03426	0.7
59.01078	0.6
59.01377	12.6
61.98823	1.0
69.03458	2.0
70.14984	1.3
70.15337	0.4
71.01370	3.3
71.05026	0.5
73.02946	0.7
81.03480	0.4
83.01389	0.7
85.02949	1.2
85.06580	0.5
87.00893	0.4
89.02431	2.6
89.96729	0.4
101.02435	3.2
105.79251	0.3
109.06572	0.7
111.09586	0.3
113.02442	1.6
121.02982	0.6
123.46941	0.4
125.02457	0.4
149.09738	0.7
161.04601	1.7
167.10802	2.7
177.12907	0.6
179.10788	1.2
179.14435	2.1
193.77719	0.4
195.13908	9.2
200.99927	0.4
205.12325	9.4
223.13390	100.0
224.13687	3.2
235.08176	0.8
253.09273	13.0
367.18030	0.4
403.09277	0.4
459.22345	18.2
460.22430	0.7
519.32349	1.2
520.23309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81398	1.0
51.39553	0.9
55.74228	0.9
57.03442	2.1
59.01379	55.9
60.99277	1.0
61.98830	100.0
68.99570	1.1
69.48842	5.9
71.01391	7.6
71.40189	1.0
72.99329	1.1
73.02939	2.8
76.04684	1.0
83.01393	1.0
85.02940	5.6
87.00902	1.5
88.98814	2.3
89.02444	2.4
96.96041	6.2
99.00868	2.0
99.04572	1.7
101.02454	5.9
113.02475	2.1
116.92865	1.5
126.90499	1.1
135.56735	1.0
147.02956	1.8
159.17230	1.1
161.04533	2.5
162.52501	1.0
190.74133	1.3
191.02028	1.4
197.04500	1.4
214.67044	1.0
353.19675	2.4
371.20697	4.1
378.94632	1.3
385.04333	1.9
387.16513	1.8
413.21649	8.3
520.20428	3.6
520.33160	4.2
521.09570	2.9
521.20251	1.9
521.33856	1.1
525.03479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20813	0.4
57.03430	0.7
59.01382	8.4
60.99283	0.5
61.98831	5.1
71.01384	2.5
71.52289	0.5
73.02954	0.7
78.95907	21.2
79.95740	3.0
83.01377	0.8
85.02954	2.5
87.00880	0.7
88.98790	2.1
89.02431	1.0
96.96011	100.0
96.96963	39.4
101.02440	1.4
107.01411	0.6
113.02411	0.8
113.92622	0.7
116.92840	1.3
118.96632	0.5
126.90525	2.1
133.02948	0.6
135.04521	0.8
143.93666	0.4
151.00385	1.3
151.03883	0.5
155.96202	0.5
161.04575	0.5
186.03595	0.5
187.30141	0.4
211.03952	0.7
226.02774	0.8
227.03401	0.8
238.30840	0.5
239.03516	0.6
240.02539	0.9
242.02171	1.0
254.02094	0.8
255.03026	5.6
255.53279	0.6
256.03683	0.7
269.02588	3.4
269.52939	1.0
270.03314	0.7
271.02521	1.5
281.08170	0.5
283.02432	3.3
283.52899	2.5
284.03217	8.0
284.53442	1.1
285.04077	1.3
365.05963	2.5
401.15826	0.5
438.08749	10.3
438.58990	2.9
489.18723	1.2
518.32849	0.6
519.11316	2.0
519.18250	0.9
519.26715	0.5
519.33350	4.8
519.61609	1.1
545.13684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.5
57.03442	1.1
59.01379	15.5
61.98830	1.7
69.03442	1.7
69.28927	3.0
71.01376	3.3
71.05029	0.8
73.02942	0.9
77.16934	0.3
78.91879	2.5
83.01378	0.5
85.02962	1.3
85.06569	0.6
87.00874	0.5
89.02448	2.3
99.04503	0.5
101.02438	3.8
109.06573	0.7
113.02439	1.9
116.92856	1.1
119.03500	0.8
123.55557	0.3
125.09641	0.4
149.09738	0.4
161.04546	1.5
161.13365	0.4
167.10794	3.3
175.82292	0.3
177.12845	0.4
179.05595	0.6
179.10771	1.0
179.14420	3.0
195.13899	10.0
205.10318	0.5
205.12320	9.0
223.13387	100.0
224.13689	3.5
235.08168	0.7
248.94151	0.4
253.09264	16.9
334.50360	0.4
459.22333	14.1
460.22696	0.8
489.19095	0.9
519.19641	0.7
519.32330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.77616	0.3
61.98829	1.5
70.57488	0.5
70.63194	0.3
78.95905	47.1
88.90111	0.3
89.44360	0.3
96.96962	5.3
103.46558	0.3
131.87244	0.3
150.98010	1.8
152.99591	100.0
153.99916	0.6
171.00659	4.3
196.77199	0.3
244.73016	0.3
277.21756	0.9
278.22195	0.5
293.21271	0.3
316.65820	0.3
389.26215	0.3
415.95535	0.3
431.22015	26.5
432.01044	0.3
432.22321	1.4
518.25348	5.7
519.25073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1388
Annotation	Albofungin
Peak:m/z	Relative Intensity
50.71546	0.4
56.71357	0.5
57.03449	25.0
59.01383	11.3
66.54719	0.4
68.99860	0.4
71.01379	4.2
71.51569	0.5
72.99289	0.6
73.02953	2.1
75.00861	0.7
76.45692	0.4
79.95734	4.3
80.96523	1.2
83.01392	1.9
85.02953	16.3
87.00876	0.6
88.98799	1.7
89.02451	1.5
92.09558	0.4
92.10130	0.4
93.03463	1.1
96.96011	35.9
99.00874	1.0
99.04521	19.7
101.02450	10.5
111.00884	0.8
113.02457	2.3
114.98004	0.4
115.92120	0.6
116.92846	2.2
119.05009	1.5
121.02998	0.4
125.02399	2.2
129.01959	1.7
143.03470	0.5
143.04996	1.2
147.02991	2.0
159.03014	0.5
161.04547	10.7
163.03964	0.8
164.98656	1.5
173.00929	0.5
180.98135	0.5
181.05078	0.4
191.02000	6.8
209.03032	3.4
211.07736	0.6
228.97699	0.5
236.33987	0.4
237.08951	0.4
265.08694	0.9
275.07724	0.6
295.13971	4.4
327.08737	6.9
337.09784	0.5
357.08542	3.0
375.09625	8.2
410.93079	0.5
439.18069	0.7
457.13867	2.8
459.11923	1.2
519.13873	100.0
520.14117	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	517.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95198	1.0
55.01832	1.5
57.03445	13.7
59.01377	30.5
60.47579	1.1
61.98829	62.7
71.01379	22.5
71.51253	1.4
72.99293	3.3
73.02969	1.0
75.00872	9.3
83.48653	1.1
83.86605	1.2
85.02947	27.9
85.64121	1.0
87.00873	7.6
88.98801	2.4
89.02437	7.0
93.03430	1.5
95.01383	4.0
96.96011	3.9
99.00860	8.8
99.04522	14.1
101.02420	6.9
103.00397	2.7
105.01940	2.1
108.96703	1.2
111.00871	2.0
113.02450	27.1
115.00380	1.5
117.01979	1.7
125.02454	8.2
129.01938	3.3
131.03545	1.1
135.61337	1.1
143.38017	1.1
147.02971	4.1
160.91553	1.1
161.04593	7.9
161.09674	1.6
161.13435	1.8
175.02470	2.1
187.11182	1.7
191.01942	3.5
207.05003	2.5
209.02989	1.7
237.94046	1.1
249.06087	10.0
267.07205	56.8
286.20242	1.1
318.99216	1.2
338.08664	1.4
438.81006	1.2
454.15756	14.3
499.18039	2.4
517.19269	100.0
518.19452	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	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71168	0.4
57.55713	0.5
59.01378	41.3
61.98829	100.0
67.06183	0.4
71.00773	1.1
71.01379	10.1
73.02944	10.3
75.00863	0.5
81.78172	0.5
83.01383	3.6
85.02948	2.1
87.00871	0.8
87.99586	0.4
88.98801	1.1
89.02440	4.2
95.01447	0.6
96.96011	0.9
99.04547	0.7
101.02438	14.0
106.67282	0.5
113.02457	6.9
119.03548	2.3
120.01273	0.6
125.02468	0.7
126.90506	1.3
131.03510	1.6
137.09721	3.4
143.03493	1.9
149.04564	2.9
161.04559	6.6
179.05641	0.5
203.05743	1.0
221.06694	2.2
227.20454	0.6
411.20462	0.6
429.16415	0.5
518.32422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50415	0.5
55.01862	0.5
57.03448	27.2
58.03783	0.5
59.01379	16.6
61.56675	0.4
61.98822	1.5
70.84297	0.6
70.84634	1.0
71.01385	6.9
73.02941	2.0
79.95738	4.6
80.96510	1.3
81.03489	0.6
83.01373	2.1
85.02953	11.4
88.98792	1.4
89.02439	1.4
93.03455	0.5
95.01389	0.6
96.96009	32.5
99.00896	1.3
99.04520	19.3
101.02441	12.6
101.03106	0.7
102.18694	0.5
103.84097	0.4
109.10329	0.4
111.00925	0.6
113.02435	2.6
116.92844	0.9
119.04989	0.4
125.02416	1.7
129.01953	1.6
135.04475	1.0
137.02425	0.6
143.03479	0.5
143.07140	0.7
145.02994	0.6
147.02998	1.1
152.98634	0.9
159.02975	0.6
160.01685	0.7
161.02512	0.6
161.04553	13.2
164.98680	0.6
172.97092	0.5
173.00880	0.6
191.01906	2.6
197.04512	0.7
209.03058	1.5
293.16080	4.3
355.10629	2.6
367.17673	0.9
373.11768	9.7
437.20941	0.6
439.19537	0.7
455.16025	2.2
457.13788	1.1
517.16016	100.0
518.16437	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	517.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72929	0.4
57.03450	24.5
59.01381	15.8
61.98834	2.3
68.35290	0.5
71.01379	5.0
72.99311	0.7
73.02949	2.5
79.95742	4.6
80.96537	1.1
81.03447	1.9
83.01386	1.8
83.01894	0.5
85.02949	11.0
86.00068	0.6
87.00832	0.5
88.98804	1.4
89.02443	3.1
95.01380	0.5
96.96014	35.9
99.00877	1.2
99.04520	18.2
101.02438	11.2
106.06644	1.1
111.00893	0.6
113.02446	2.5
113.06087	1.8
116.92877	1.0
119.05067	0.5
125.02464	1.7
125.06109	0.4
129.01944	1.6
135.04504	0.7
143.03461	0.6
147.02957	0.9
150.05589	1.0
161.04556	10.9
164.98616	1.3
179.03473	1.3
182.02159	0.5
182.35541	0.4
191.01996	3.6
194.04578	0.5
209.03014	2.4
210.72462	0.5
241.00249	0.6
293.16071	3.4
309.10504	0.5
355.10648	2.6
356.09891	1.0
359.10175	1.1
373.11786	9.1
437.20203	0.6
455.16135	2.8
457.13882	2.1
473.20364	1.4
503.40375	0.5
517.15961	100.0
518.16296	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	517.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.1
59.01378	14.7
59.84823	0.6
60.99010	1.0
60.99305	14.2
61.98829	12.7
69.43002	1.7
69.43418	2.5
71.01385	4.8
73.02940	2.0
74.38255	0.6
75.00845	1.0
83.01405	0.7
85.02956	4.0
87.00887	0.6
88.98802	100.0
89.02435	1.6
89.99145	0.6
91.37959	0.5
93.95288	0.6
94.56947	0.7
96.96004	2.0
96.97006	0.6
98.19868	1.1
99.04525	4.7
101.02436	4.0
113.02467	2.8
113.06192	0.8
115.00349	0.6
115.92062	0.8
116.92868	1.2
119.03484	1.2
125.02444	2.1
126.90479	1.4
127.05118	0.7
129.01939	0.6
132.88501	0.7
134.03729	0.6
135.04492	4.6
149.04506	1.1
161.02390	1.1
161.04512	0.9
177.97609	0.6
179.03506	2.9
191.02013	1.2
209.70740	0.6
240.35327	0.6
241.59622	0.7
305.11401	1.5
337.09476	0.9
395.38382	0.7
427.16034	1.7
440.94012	0.8
454.15610	1.0
512.84125	0.7
517.16095	3.2
518.33832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23849	0.9
51.05933	0.8
57.03453	6.1
59.01378	13.8
60.99307	14.8
61.98832	12.5
64.83646	0.8
69.48069	6.4
71.01376	5.5
72.97536	1.5
73.01129	0.8
73.02938	1.1
75.00858	1.2
75.40783	0.8
77.10972	0.7
77.87679	0.7
78.95866	0.8
78.98595	1.7
79.95724	3.5
80.96517	16.7
81.03449	1.9
83.05025	1.3
85.02953	8.5
87.00867	2.2
87.45069	0.9
88.98804	100.0
89.02406	1.2
94.98090	5.0
99.04530	5.8
101.02431	2.7
103.00364	1.0
105.00136	5.2
112.98523	0.9
113.02428	3.6
115.11604	0.8
122.97548	1.3
125.02419	3.3
126.90466	1.4
133.02922	2.6
134.97534	2.1
135.04478	3.3
138.58276	0.9
148.99117	1.2
152.98563	2.1
160.01567	0.8
160.99104	2.4
161.02434	12.0
161.04504	1.8
162.02768	2.2
164.98578	3.0
175.03981	1.6
191.01973	1.5
193.01674	3.3
206.99686	1.7
217.14366	3.2
218.14777	1.5
225.00743	5.1
249.06183	1.1
267.07233	4.8
296.42871	0.8
373.00864	0.9
473.98520	1.0
517.19501	42.2
518.19482	1.4
518.32642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1195
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
51.49039	0.6
57.03447	0.8
59.01386	1.1
62.89084	0.6
66.04826	0.6
68.99816	2.5
69.03465	0.7
70.02665	2.6
71.01385	2.1
72.99317	0.7
82.19600	0.6
83.01379	1.5
85.02950	5.1
87.00887	1.0
89.00309	3.8
91.01890	2.5
91.92626	0.6
95.01374	1.8
98.20635	1.0
99.00890	3.4
101.02416	0.9
106.00600	4.1
110.87989	0.7
111.00894	2.4
113.02454	3.6
113.99580	8.2
115.00410	3.3
121.02954	60.5
122.03246	1.0
123.00880	2.1
123.16585	0.7
127.00351	3.3
129.01956	1.2
133.48737	0.7
136.98753	1.2
138.03210	2.8
139.00369	2.6
141.01894	1.2
153.05573	47.2
154.22188	0.6
157.01379	3.1
174.01654	3.6
175.02448	0.9
182.02171	2.1
186.72939	0.6
197.04538	100.0
198.04907	2.8
203.52956	0.7
258.13467	0.6
277.05624	14.0
278.05936	0.8
319.06616	0.9
337.07742	39.5
338.08154	0.9
385.40182	0.7
510.53586	0.6
517.11951	82.9
518.12378	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	515.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25517	0.4
69.18464	0.8
69.18867	3.1
78.47246	0.4
106.04243	0.7
107.05059	0.5
121.02910	0.5
163.11287	30.2
164.11601	0.7
175.11250	1.4
176.12050	1.3
177.12845	3.8
184.58051	0.4
190.09985	0.9
208.11011	2.7
267.13858	0.5
281.15463	1.5
282.16241	4.7
283.16992	5.8
293.15540	2.2
295.17014	0.5
303.49576	0.5
339.23257	100.0
340.23648	7.4
349.21799	0.5
351.23251	6.9
352.23828	0.5
515.35278	81.1
516.35602	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	517.1195
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
50.28405	0.6
54.94771	0.6
55.01868	1.0
57.03443	2.3
59.01381	1.7
61.98825	0.6
68.99816	1.6
71.01384	9.8
71.50942	0.6
72.99284	2.6
73.02939	1.2
75.00867	1.9
81.03473	0.6
83.01395	3.3
84.02174	0.8
85.02952	19.1
85.03471	1.0
87.00899	1.1
89.00344	2.1
89.02417	0.7
91.01887	1.2
93.03445	0.6
93.21012	0.6
94.70395	0.6
95.01394	6.6
96.96030	0.9
97.02952	1.2
99.00883	3.4
100.98812	4.9
101.02447	1.6
106.00635	1.5
111.00864	4.4
113.02452	17.2
113.99592	2.5
115.00346	1.4
119.03516	0.9
121.02956	34.6
122.03259	0.7
123.00883	1.4
125.02402	0.7
127.00378	2.3
129.01970	3.3
135.04527	0.7
138.03226	0.8
139.00319	1.1
147.02991	0.6
153.05573	26.1
154.99835	1.0
156.00648	3.1
157.01411	1.9
161.04645	0.6
169.01396	0.8
174.01717	3.2
175.02310	1.0
182.02168	2.0
183.02939	0.7
191.01974	2.0
197.04544	43.3
198.04904	1.1
245.02966	2.2
257.07990	0.5
275.07401	0.7
277.05612	6.4
319.06686	3.3
337.07761	44.1
338.08054	1.4
354.05862	1.0
517.11938	100.0
518.12311	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	515.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	3.3
61.98829	16.3
67.10310	2.1
71.51128	2.3
71.51498	3.1
71.82903	2.0
78.95905	14.9
120.14215	2.7
123.89214	2.2
140.01215	5.5
156.18213	2.2
196.03764	7.2
242.89485	2.5
255.23300	100.0
256.23618	5.5
263.51486	2.2
297.62866	2.7
384.94913	2.5
452.27826	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18032	0.1
51.73743	0.1
55.01888	0.2
55.29599	0.1
57.03447	0.1
58.00601	0.1
59.01378	3.5
61.98837	0.3
69.19544	0.7
69.46005	0.1
71.01380	3.2
72.99329	0.2
73.02943	0.8
75.00864	0.1
83.01385	0.4
83.05007	0.1
85.02946	0.8
87.00877	0.5
88.03336	0.1
88.86521	0.1
89.02446	2.6
91.04016	0.1
95.01407	0.2
97.02988	0.2
97.07209	0.1
98.20682	0.2
99.00890	0.3
101.02442	3.3
103.04023	0.1
109.44667	0.1
113.02448	1.4
113.03210	0.1
115.04038	0.1
116.55947	0.1
119.03493	0.9
125.02431	0.2
131.03474	0.1
133.05084	0.3
142.36584	0.1
143.03516	0.3
143.18326	0.1
149.04616	0.1
157.05052	0.1
159.77766	0.1
161.04546	1.4
179.05635	0.3
196.45534	0.1
235.08250	1.0
253.09276	13.5
254.09575	0.3
261.22263	0.3
279.23270	100.0
280.23615	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15503	0.0
55.01881	0.3
57.03441	0.1
58.00589	0.3
59.01378	6.2
59.98532	0.1
61.98819	0.1
68.99829	0.0
69.03460	0.1
71.01380	4.7
72.99302	0.2
73.02946	1.0
74.08055	0.0
81.03446	0.1
83.01382	0.6
83.05019	0.1
85.02953	1.1
86.00096	0.1
87.00870	0.6
89.02444	3.5
91.04005	0.2
95.01388	0.3
97.02959	0.1
97.06573	0.1
99.00867	0.3
101.02441	4.6
102.02784	0.1
103.04028	0.1
111.00883	0.0
111.04525	0.1
112.01671	0.0
113.02454	2.2
113.06087	0.1
115.03985	0.1
119.03497	1.1
125.02451	0.2
127.03960	0.1
127.07664	0.2
129.01852	0.1
131.03516	0.2
133.05083	0.3
141.09177	0.0
143.03514	0.4
145.05043	0.1
149.04517	0.1
157.05052	0.2
161.04553	1.8
179.05612	0.5
183.13754	0.0
187.06169	0.1
205.19579	0.1
219.13815	0.1
233.22800	0.3
235.08200	1.3
253.09270	16.5
254.09660	0.5
259.20651	0.3
275.20050	0.3
277.21698	100.0
278.22040	5.6
348.29486	0.0
372.76929	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98829	100.0
62.98529	0.1
69.35273	0.7
74.11107	0.1
86.14097	0.1
87.65575	0.1
264.75638	0.1
282.67175	0.1
357.93735	0.1
453.49326	0.1
454.33920	0.3
514.32904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03450	0.2
58.00595	0.2
59.01377	5.3
69.03465	0.1
71.01379	3.9
72.99309	0.3
73.02945	0.9
83.01392	0.6
83.05037	0.2
85.02942	1.0
87.00874	0.6
89.02441	3.1
91.04019	0.1
92.73593	0.1
95.01385	0.3
97.02950	0.2
98.20182	0.3
99.00874	0.2
99.04515	0.1
101.02438	3.7
113.02441	2.0
115.04002	0.1
119.03493	1.0
125.02456	0.2
127.07668	0.2
131.03496	0.2
133.05086	0.3
141.09268	0.1
143.03503	0.3
145.05023	0.1
149.04561	0.1
157.05063	0.2
161.04552	1.6
172.92917	0.1
179.05611	0.6
181.12218	0.1
233.22729	0.4
235.08179	1.3
253.09264	15.8
254.09567	0.4
259.20602	0.4
275.20062	0.3
277.21692	100.0
278.22040	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	513.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.5
59.01380	29.4
61.98833	7.6
69.33354	1.1
69.33766	2.9
71.01381	7.2
72.99308	0.8
73.02939	2.8
75.00877	3.3
83.01404	1.2
85.02960	5.5
87.00895	0.6
88.98794	0.7
89.02442	4.6
95.01364	0.8
96.96037	3.2
97.90820	0.5
99.00848	0.7
99.04521	8.1
101.02458	7.4
113.02462	4.4
113.06124	0.6
119.03477	1.3
121.02949	1.0
123.04575	0.7
125.02454	3.9
129.01924	0.9
133.05032	0.6
135.04506	0.6
137.09764	0.8
143.03528	1.1
143.31686	0.4
153.09259	0.6
157.91646	0.6
161.02448	0.9
161.04550	3.3
179.05614	0.7
191.02060	1.3
217.14445	100.0
218.14699	3.0
235.08226	2.6
253.09283	11.7
300.02936	0.5
345.05936	0.5
351.17856	0.6
354.74973	0.5
453.23599	1.7
469.16351	0.6
513.19885	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	513.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.2
59.01380	22.4
60.99285	0.7
61.98833	7.3
63.08055	0.7
64.22929	0.6
71.01390	6.1
71.51323	0.6
72.99302	3.5
73.02946	1.9
74.08616	0.6
75.00879	0.9
78.91908	1.0
78.95899	0.8
79.95739	2.4
85.02966	3.8
87.00902	0.8
88.98823	2.5
89.02444	3.3
94.60114	0.6
96.96014	73.0
98.19968	2.7
98.20663	1.5
99.00916	0.8
99.04544	4.7
101.02437	5.4
103.00414	0.9
103.04028	1.5
105.01952	1.6
111.18918	0.6
113.02483	3.2
116.92863	1.2
119.03525	0.8
125.02427	1.4
126.90530	1.5
153.09215	0.9
161.02486	0.7
161.04532	2.3
179.05637	0.7
191.01813	0.7
207.13896	2.2
209.02939	1.4
217.14441	100.0
218.14778	3.7
225.13324	0.6
235.08238	2.1
244.02779	0.8
253.09297	10.5
268.03491	0.7
308.28754	0.7
338.52927	0.7
453.23288	1.3
513.20062	42.4
513.25836	2.0
514.20233	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	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00606	0.6
55.01902	0.9
57.03450	66.4
58.00590	1.0
58.91864	0.7
59.01381	100.0
60.01717	0.7
61.98835	7.9
68.99857	0.7
69.03476	0.9
70.59776	1.3
70.60129	1.1
71.01385	33.5
72.99326	1.7
73.02948	14.2
77.35226	0.7
78.95892	0.7
81.03463	2.1
83.01382	5.8
85.02953	8.0
87.00883	1.7
89.02445	18.6
89.06084	4.7
95.01421	2.5
96.96008	7.5
97.02915	0.8
99.00885	1.7
99.04520	83.0
100.04857	1.3
101.02445	36.9
101.72572	0.8
109.02980	0.9
111.00918	0.7
113.02457	17.4
113.06136	1.1
119.03508	7.2
121.02962	8.7
121.85270	0.7
123.04533	3.9
125.02454	42.3
131.03511	1.7
135.04541	0.7
137.02443	1.6
137.09718	8.1
141.05598	1.2
143.03467	6.6
146.70749	0.7
149.04547	4.3
153.05565	1.2
155.03514	0.9
161.04556	15.1
161.05916	1.0
162.83969	2.4
179.05612	9.0
189.12918	1.3
191.02029	0.9
203.05583	1.5
207.10547	0.7
207.13858	1.0
211.59224	0.8
217.14519	2.3
221.06699	1.4
232.29233	0.7
233.10320	1.2
237.07614	4.3
241.24500	0.7
263.07764	2.5
287.02042	1.0
315.01498	2.3
323.09955	3.4
330.03870	2.5
345.06052	5.1
369.19138	0.9
381.12000	3.4
411.20438	2.4
423.13269	3.0
444.96548	0.7
451.15012	0.9
451.23114	0.7
453.14365	1.4
453.23477	0.9
469.16479	2.8
469.24136	1.1
513.24017	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	511.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22003	0.7
54.01579	0.6
57.06255	0.7
59.01374	6.9
60.99308	13.9
61.98818	2.3
71.01384	2.7
73.02964	0.8
78.95942	0.6
79.95737	1.5
80.54018	0.7
85.02953	1.8
87.00849	0.8
88.00404	1.7
88.98804	100.0
89.02444	11.9
96.96014	29.2
98.20239	4.4
101.02451	0.8
113.02461	1.0
113.25299	0.7
116.92860	0.9
120.71633	0.6
126.90497	2.2
135.58835	0.6
136.28688	0.7
145.15913	0.7
149.87331	0.7
171.35075	0.6
190.56471	0.6
194.98849	0.6
275.18604	1.2
340.86914	0.6
492.69028	0.8
511.18524	20.8
512.19122	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	511.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35783	0.7
58.50240	0.7
60.43743	0.9
64.86172	0.8
78.95483	1.6
78.95909	16.3
96.96972	1.8
116.95808	0.8
152.99586	30.2
171.00662	1.3
227.03137	4.6
245.04257	1.5
283.26419	100.0
284.26813	4.9
286.35092	0.8
307.42535	0.9
440.47946	1.1
470.31757	1.0
511.30386	80.4
512.30695	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	513.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76747	0.3
57.03444	2.2
59.01387	2.4
59.82924	0.3
61.98824	1.8
62.38993	0.3
71.01376	1.4
71.52437	0.4
72.99316	0.6
75.00851	0.3
78.95917	0.3
79.95744	0.4
83.01382	0.4
85.02949	7.3
87.00851	0.3
88.98808	0.7
89.02444	0.5
96.96014	4.7
97.03000	0.5
97.14673	0.3
98.95594	3.6
98.96441	0.8
99.00895	0.6
99.04538	1.0
99.92583	15.4
100.92604	0.7
100.93383	1.0
101.02479	1.0
107.04996	0.4
109.03002	0.3
111.00870	0.7
113.02403	0.3
114.94944	1.6
115.92076	10.7
116.92859	100.0
117.92879	2.9
117.93656	0.5
125.02423	0.5
126.90514	2.2
129.01971	0.7
135.04562	0.4
139.95686	0.7
141.93626	0.4
147.03008	1.2
148.21483	0.3
156.95966	0.5
158.93932	1.5
159.15179	0.3
161.02440	0.4
161.04575	1.0
182.97511	2.9
183.94691	0.8
184.95406	0.3
191.01932	2.7
209.03036	0.5
226.96521	13.5
227.96745	0.5
265.86252	0.3
287.09158	0.8
298.98743	0.4
310.98590	0.5
333.00662	0.5
339.05075	0.3
351.01782	1.0
404.00793	0.4
433.06137	0.3
453.22913	0.5
476.98859	0.4
477.05026	4.0
478.05145	0.5
513.06982	23.5
514.07239	2.2
530.94067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07301	0.3
52.37049	0.3
59.01379	1.5
61.98833	1.5
68.99570	0.3
71.01386	0.3
71.52563	0.4
71.80825	0.3
77.85851	0.2
78.95879	0.7
85.02996	0.4
85.33591	0.3
96.96008	0.5
99.92583	12.5
100.92676	0.7
100.93365	2.9
101.02470	0.3
115.92076	100.0
116.92088	2.9
116.92865	13.1
117.93605	0.3
132.92355	1.1
152.99622	0.4
165.05496	0.3
171.91078	0.4
185.97461	0.3
235.00728	0.6
238.07690	0.3
246.17770	0.3
307.19113	0.3
352.06064	0.4
405.13632	0.3
421.13297	2.8
439.14279	0.3
511.13141	0.4
511.28018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70728	1.4
56.72366	1.4
57.03451	9.8
59.01384	13.8
61.98829	7.8
71.01370	8.8
71.52328	2.2
72.99312	1.7
73.02934	3.9
83.01376	1.9
85.02953	12.2
87.00890	2.1
88.98808	5.4
89.02452	6.2
93.03455	2.8
95.01357	3.1
96.96014	15.4
96.96966	2.1
98.95599	4.5
99.00877	1.6
99.04517	10.6
101.02425	7.6
101.48548	1.4
111.00890	2.2
113.02463	2.1
117.01941	3.0
121.02972	17.2
122.03802	8.8
123.00864	12.6
123.04543	2.3
125.02422	1.8
126.90484	3.0
135.04588	1.7
136.98785	1.7
138.03229	7.1
139.00348	1.7
147.03047	1.9
149.02426	12.2
149.04573	2.6
150.03220	73.4
151.03963	4.1
153.02000	2.2
153.05585	13.0
154.23320	1.5
154.99788	1.6
155.06139	1.7
160.84738	1.6
161.04564	7.5
164.04796	4.5
165.05565	84.7
166.05980	1.5
166.99835	15.9
167.03401	1.8
180.04269	5.9
181.05069	3.9
182.02211	44.9
183.02888	2.4
195.06610	56.3
196.06900	1.7
197.04544	100.0
198.04961	3.2
209.02933	1.8
238.59241	1.5
286.08536	2.3
327.82010	1.7
345.09778	7.7
393.11905	61.1
394.12277	2.5
405.05243	2.2
451.21283	2.6
474.35803	1.6
511.08838	23.7
511.27225	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91083	0.9
55.01877	1.6
57.03440	2.0
58.00589	1.6
59.01379	42.6
61.98824	3.7
71.01382	40.1
71.52323	1.3
72.99295	2.1
73.02944	9.0
75.00886	1.5
78.95903	1.1
81.03474	1.0
83.01387	3.5
85.02946	14.9
87.00872	3.2
88.98811	3.7
89.02445	31.7
91.01933	0.8
95.01359	1.9
96.96008	2.6
97.02969	2.0
99.00872	2.7
101.02443	19.8
102.46865	0.8
111.00880	4.1
113.02449	9.5
115.04027	1.3
119.03486	1.6
121.02936	2.6
123.00874	1.2
123.04536	2.3
125.02456	4.0
129.01941	1.1
131.03502	15.7
137.02420	1.0
139.03947	0.8
140.54587	0.7
143.03488	2.3
147.02954	1.0
149.04553	15.8
153.05540	1.7
159.02931	1.0
161.04533	6.2
164.77853	0.8
167.03511	4.0
185.11749	1.2
191.01851	1.4
191.05612	5.2
193.05020	1.1
197.04588	5.2
209.02814	1.0
213.11302	1.5
233.06610	2.2
293.08768	4.6
317.15958	2.7
363.23935	1.3
411.11380	1.0
449.20276	100.0
450.20596	5.9
509.16623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.91896	0.4
61.98830	100.0
62.98540	0.4
71.01379	0.7
85.02968	0.7
88.98812	0.7
91.50900	0.3
93.61504	0.3
99.92607	0.4
101.02441	0.3
116.92867	0.4
121.38058	0.3
126.90523	0.6
211.13371	0.4
293.60242	0.3
447.09280	0.5
459.38211	0.3
468.05588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36580	0.3
56.29742	0.3
57.03435	0.6
58.90716	0.3
59.01376	2.1
61.98830	100.0
66.24494	0.4
71.01404	1.1
71.52836	0.6
78.95918	0.6
80.20085	0.3
85.02951	0.9
88.31378	0.3
88.98825	0.3
89.02412	0.4
91.98251	0.3
93.52583	0.3
101.02477	0.4
101.38979	0.3
113.02489	0.5
116.92887	0.6
117.72961	0.4
191.01877	0.4
208.47121	0.4
211.13417	0.5
233.34953	0.4
259.28357	0.3
277.08371	0.4
293.82596	0.4
349.20343	0.9
434.17712	0.5
511.14960	0.7
511.25528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	19.8
59.01376	12.1
61.98824	1.3
69.38403	1.2
69.38818	3.4
71.01380	5.6
72.99282	1.1
73.02946	6.0
74.11036	0.5
75.00866	0.7
79.95735	1.9
80.96517	2.1
81.03438	2.3
82.96969	0.5
83.01392	1.9
85.02941	4.2
87.00873	1.5
88.98806	1.2
89.00344	0.9
89.02431	4.6
96.96011	38.5
97.02930	0.8
99.04520	24.6
101.02443	14.7
106.00573	0.6
108.02152	1.5
113.02436	2.7
119.03474	2.3
121.02949	10.9
121.58025	0.5
123.00880	2.1
123.04528	5.6
123.18858	0.6
125.02435	2.6
131.03526	1.1
133.35289	0.6
138.03200	0.8
138.92793	0.6
138.97073	1.9
141.05632	0.8
143.03502	3.5
152.01097	1.9
152.98656	3.3
153.05576	7.0
160.32312	0.6
161.04549	29.1
166.02711	0.9
166.99858	1.4
167.03488	11.8
174.33218	0.6
179.05577	3.0
180.98073	2.2
182.02228	3.5
185.11676	0.6
191.01891	1.2
192.44249	0.6
197.04549	26.6
198.99149	1.2
213.11282	1.2
241.00293	6.4
259.01254	4.8
263.07712	1.2
266.43646	0.7
267.08759	2.9
301.02335	0.8
311.07663	8.3
323.09827	2.3
341.05368	3.2
341.08954	0.9
343.03381	2.7
359.06018	0.7
359.09683	2.8
365.05383	1.9
403.05496	12.6
404.05402	0.6
446.78494	0.7
447.09247	0.6
449.07336	0.7
460.75562	0.6
475.49789	0.6
509.09662	100.0
510.09857	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	509.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
57.03445	16.6
59.01371	2.9
59.85427	0.7
62.32450	0.7
62.52702	0.7
69.91414	2.1
69.91796	1.5
71.01374	3.1
83.01377	4.5
84.02171	1.7
85.02949	100.0
86.03291	1.7
89.00330	0.9
93.03456	12.6
96.96041	2.0
101.02454	1.3
111.00870	11.7
121.02930	8.2
123.00879	1.7
129.01939	47.2
137.02438	26.6
138.03220	1.6
139.00374	1.1
139.03989	1.0
147.02991	15.3
153.05563	5.4
154.37439	0.8
166.99904	1.4
173.00916	10.2
177.05621	1.1
182.02225	2.2
191.01978	14.0
197.04538	15.5
205.05060	2.1
209.02919	3.8
224.71577	0.9
235.64526	0.8
265.07074	4.8
267.05087	1.8
311.04034	2.5
327.07141	6.3
329.05115	3.6
371.06076	2.6
389.07202	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	509.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03450	13.1
57.88010	0.4
59.01380	3.8
68.99830	0.5
70.00305	1.4
71.01379	3.3
72.99313	1.4
73.02947	0.6
75.00883	1.3
75.81675	0.4
83.01383	5.1
84.02170	2.3
85.02950	100.0
86.03304	1.2
87.00879	1.2
88.98814	0.9
89.00327	0.5
89.02437	0.6
93.03457	10.8
93.04029	0.8
96.96014	2.7
101.02449	1.1
103.00368	1.5
106.00585	1.4
111.00167	0.8
111.00880	11.2
121.02956	10.3
123.00916	0.6
129.01947	39.6
136.01729	0.4
136.98869	0.5
137.02452	14.2
138.03206	1.2
139.00352	1.0
147.02995	16.3
149.02393	0.6
153.05574	7.4
154.05898	0.5
161.04524	0.5
166.99948	0.9
167.03487	0.5
170.37424	0.5
173.00900	9.4
177.05569	1.9
179.03572	0.7
182.02145	1.5
191.01971	17.9
197.04549	19.5
198.04813	0.7
205.05025	3.9
206.72139	0.4
209.03026	4.9
256.45081	0.5
265.07162	2.8
267.05020	3.9
311.04120	2.2
327.07196	2.5
329.05170	2.0
347.12045	0.5
371.06219	3.3
389.07297	13.2
390.07797	0.5
509.09665	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03447	20.0
59.01376	15.2
61.98822	0.7
69.32172	4.0
71.01383	10.5
72.99308	0.6
73.02949	6.2
75.00866	1.9
78.95901	0.6
79.95731	4.3
80.96513	0.8
81.03449	0.6
83.01391	2.7
85.02945	9.8
87.00874	1.6
88.98823	0.5
89.02445	9.1
93.03436	0.5
95.01344	0.7
96.96008	38.9
97.03016	0.6
97.06563	0.6
99.00896	0.6
99.04515	18.2
101.02435	16.8
101.03110	0.9
103.00378	1.9
111.00880	1.5
113.02424	4.3
116.92793	0.6
119.03484	1.9
121.02934	0.8
123.00854	0.7
123.04556	2.7
124.01678	0.6
125.02435	3.5
129.01920	1.1
131.03493	2.5
135.04558	0.9
137.02409	1.2
141.05597	0.6
143.03528	1.2
147.03128	0.6
149.04503	1.8
152.98676	1.3
160.01619	0.7
161.02446	1.0
161.04553	19.9
173.00752	0.5
179.05612	0.9
180.98112	0.8
191.01947	1.9
191.05579	0.8
211.29494	0.5
233.06625	1.1
241.00174	2.6
262.26154	0.5
263.07703	1.5
300.61707	0.6
311.15030	0.5
317.10211	1.3
317.15894	0.7
323.09851	3.2
347.04611	2.7
347.11237	3.2
365.05475	7.8
367.89111	0.5
369.81647	0.6
407.06577	1.0
447.09790	3.4
449.07236	1.2
449.20215	12.6
509.09662	100.0
510.09851	6.8
515.84656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	6.0
61.98827	11.5
71.01386	1.6
78.95905	41.3
85.02937	1.8
87.29094	1.2
87.50014	1.2
101.02447	1.6
125.09765	1.4
126.90510	1.7
140.01192	12.2
152.99580	5.1
163.11235	3.3
167.14400	2.5
168.11511	1.4
171.10205	1.9
195.13913	2.7
196.03780	13.6
211.13380	1.7
214.04840	4.4
249.22266	5.9
291.19562	1.9
293.21228	61.9
294.21561	3.9
311.22260	69.5
312.22742	3.1
406.53781	1.3
508.26810	100.0
509.27286	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	507.2607
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
59.01386	4.7
61.98830	4.2
66.48457	0.7
71.01360	1.1
71.02530	1.9
71.43454	0.8
71.51999	1.0
71.52382	1.0
73.04059	2.3
74.45952	0.7
78.95900	1.1
84.00922	1.8
84.50497	0.7
85.02982	0.8
89.02435	0.9
93.03464	1.3
99.01998	1.9
107.04989	1.2
115.08786	4.0
116.05032	1.3
116.92858	1.0
119.05041	7.3
125.07190	2.5
126.03065	1.1
126.05607	1.9
126.90537	0.7
127.07629	0.7
133.05411	1.0
134.06114	1.0
137.07205	3.2
141.06667	2.8
146.06097	3.9
153.06660	1.7
154.09909	1.5
155.03429	0.9
155.08282	3.6
157.05380	1.1
162.05586	2.1
167.08238	1.0
169.13420	1.0
170.09348	3.4
172.10918	10.5
175.08765	1.2
179.08246	0.9
196.14407	1.0
198.08812	1.0
200.10803	1.2
203.08244	1.3
203.34583	0.9
214.15561	3.8
227.11447	0.8
228.10173	2.2
245.12932	5.4
262.15656	5.4
269.16281	0.9
278.14917	0.8
309.20706	2.2
318.99658	0.9
357.99316	0.8
395.21222	0.8
401.21939	22.3
402.22235	1.7
507.26093	100.0
508.26379	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95195	0.3
59.01378	9.5
61.98829	3.2
69.03453	0.4
71.01385	3.3
71.48679	0.3
73.02948	1.0
75.00858	0.5
78.95922	0.6
83.01397	0.4
85.02950	1.7
86.00196	0.3
87.00890	0.4
89.02438	2.3
95.01379	0.4
96.96045	0.4
101.02431	2.6
109.02959	0.5
113.02432	1.8
119.03509	0.5
119.05022	0.4
133.02957	0.5
134.03760	0.3
135.03038	1.4
143.03496	0.7
149.04568	0.6
161.02411	0.4
161.04547	1.0
165.12860	0.4
167.14354	0.5
179.05644	0.4
181.01398	0.4
183.13887	5.7
193.12349	1.6
194.85938	0.3
211.13387	100.0
212.13702	3.6
235.08144	0.5
239.42609	0.3
253.09293	10.5
267.19687	0.8
293.17426	0.3
308.10461	0.6
309.11356	0.5
311.18491	0.6
345.17209	0.6
363.20428	0.3
371.14862	1.3
412.00394	0.3
447.16644	0.6
447.22290	6.5
448.22479	0.4
477.19107	3.2
478.93753	0.3
489.19238	0.5
507.27017	0.7
507.34946	0.9
508.23099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28943	0.5
57.03449	25.5
59.01382	9.0
61.98819	1.5
69.18269	1.1
69.18665	5.2
71.01376	3.9
72.99284	0.6
73.02944	1.5
75.00878	5.8
78.95895	1.2
79.95738	10.0
80.96510	2.1
81.03457	12.4
83.01387	0.9
85.02934	3.2
85.22372	0.6
87.00869	0.6
88.98814	0.6
89.02442	2.3
93.13321	0.5
94.42445	0.5
96.96013	52.7
98.95586	1.2
99.00877	1.5
99.04525	1.1
99.63203	0.6
99.92581	5.7
100.93377	2.5
101.02448	12.4
104.77436	0.5
110.97581	1.1
113.02444	1.3
113.06091	23.1
115.92079	40.0
116.92104	1.7
116.92855	18.9
117.92904	0.6
121.02983	0.7
132.92352	0.7
135.03009	13.3
139.25610	0.5
148.62517	0.6
157.05302	0.6
161.04538	1.0
164.98636	1.8
172.05344	1.4
175.06093	2.3
180.98140	0.8
184.95532	0.8
195.73801	0.7
199.04050	0.9
200.04810	0.8
213.14957	1.0
227.03444	4.5
228.04243	2.0
241.00455	0.6
242.96037	0.7
283.13354	6.1
301.14404	1.6
309.14948	1.8
311.12903	1.3
315.17978	1.2
327.15994	0.9
331.04846	6.1
345.06085	0.6
345.17130	2.5
349.05981	14.0
350.06418	0.6
353.13928	1.6
371.14987	18.6
372.15433	1.0
391.07147	0.6
433.08151	2.0
447.21906	5.9
471.06989	0.7
486.04117	0.6
489.08569	5.7
489.14859	0.9
490.09012	1.1
507.11749	100.0
507.28018	4.0
508.12076	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13084	0.3
57.03440	0.8
59.01379	10.8
61.98817	2.4
67.56518	0.3
69.03447	0.5
71.01383	3.8
71.52812	0.3
72.99295	0.4
73.02949	1.3
78.95924	0.3
81.03432	0.4
83.01369	0.9
83.05074	0.3
85.02951	2.4
87.00877	0.6
88.98787	0.6
89.02432	2.3
93.03483	0.4
93.31438	0.3
96.96014	2.9
99.00888	0.4
101.02437	3.8
106.06631	1.2
113.02461	1.6
113.06049	0.5
115.91991	0.4
116.04560	0.3
116.92849	0.8
119.03464	0.7
126.90583	0.5
132.08188	0.4
135.02985	0.4
143.03397	0.4
161.04544	1.7
167.14407	0.4
183.12234	0.4
183.13890	6.5
183.15402	0.5
191.01942	0.3
193.12318	1.4
211.13385	100.0
212.13742	4.0
235.08238	0.7
238.11055	1.7
239.11348	1.8
241.00058	0.3
252.12587	0.7
253.09271	11.6
253.13280	2.6
254.09648	0.4
254.13741	2.9
286.12460	0.3
315.18121	0.5
345.17197	0.6
387.18872	1.0
402.67090	0.4
431.17984	1.7
447.22247	6.9
447.27948	0.5
475.17038	2.7
507.11646	3.1
507.27731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87351	0.4
55.73061	0.4
56.20650	0.4
57.03450	25.5
58.03768	0.5
59.01380	13.5
69.53918	2.3
71.01378	5.6
72.77686	0.4
73.02946	3.3
77.08652	0.4
79.95734	3.9
80.96513	1.0
83.01394	1.3
85.02949	1.5
88.79819	0.4
89.02446	3.9
96.96015	31.2
99.04522	18.6
100.04861	0.5
101.02446	10.0
113.02460	1.4
119.03504	1.0
121.02930	0.7
123.04543	0.9
125.02450	1.4
137.07697	0.4
143.03476	0.9
161.04555	9.3
164.98627	0.8
241.00256	0.6
268.67587	0.4
279.06433	0.5
345.06482	3.0
363.07565	8.6
364.08054	0.7
405.08362	0.6
427.15988	1.0
445.11743	2.8
447.09549	1.5
507.11780	100.0
507.18961	3.3
508.12128	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	507.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
58.94363	0.2
59.01377	3.5
59.33388	0.2
61.98796	0.8
65.00318	0.5
71.01385	1.0
71.52016	0.2
71.52394	0.3
73.02919	0.8
75.00854	0.2
79.95731	0.5
85.02946	1.0
87.00849	0.3
88.98770	0.3
89.02456	0.4
96.96013	4.1
99.04523	2.0
101.02436	1.7
109.02924	0.3
110.00085	0.8
111.00858	0.5
113.02416	0.6
116.92842	0.5
120.16975	0.2
121.02969	0.4
125.02434	0.5
126.56821	0.2
139.00362	1.1
139.04010	1.0
142.20024	0.2
147.00850	0.4
149.02434	3.8
149.99527	0.5
151.00327	0.3
152.44301	0.2
153.01962	0.3
159.02934	0.3
159.04437	0.3
161.02379	0.3
161.04558	1.6
164.98294	3.2
165.99086	2.2
166.99872	0.2
171.04469	0.8
171.34344	0.2
173.02303	0.2
175.00366	3.7
175.03963	0.3
176.98308	0.2
177.99028	1.5
178.99843	0.6
180.00620	0.3
187.04041	1.0
189.01965	1.2
193.98570	0.3
197.04619	0.2
199.03986	1.3
201.01883	0.6
202.02716	0.4
203.03496	0.4
209.02992	0.3
213.02045	0.3
214.02478	0.2
215.03426	2.4
217.01344	0.5
219.02933	0.3
226.02606	0.2
227.03481	0.4
229.01273	0.3
230.02135	0.4
231.02966	2.1
241.01425	1.0
242.02184	0.6
243.02946	3.0
245.00969	1.0
258.01682	1.2
259.02411	2.9
269.00818	0.7
270.01593	0.6
271.02414	1.8
271.55734	0.2
285.04105	0.2
286.01227	1.1
287.01959	16.5
288.02280	0.7
297.00391	0.4
300.02701	0.2
301.03540	0.6
302.04108	0.3
314.00595	0.6
315.01443	58.6
316.01785	2.1
329.02957	0.8
330.03778	47.3
331.04028	2.1
337.38156	0.2
345.06128	100.0
346.02414	0.4
346.06482	5.1
363.07477	0.7
465.27017	0.3
492.09494	0.2
507.11682	12.5
507.27548	1.0
508.11996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	20.9
59.01375	8.0
66.11346	0.5
69.72095	2.2
70.56960	0.5
71.01383	4.6
72.52663	0.5
73.02939	0.7
76.48123	0.5
79.95737	2.1
80.96536	0.6
83.01396	0.9
85.02953	0.8
96.96009	100.0
98.19938	0.7
99.04517	24.9
101.02441	8.7
113.02429	1.0
120.59597	0.5
121.02992	2.5
121.03754	0.5
123.04517	0.6
125.02476	2.9
143.03444	0.7
161.04552	19.2
161.05905	1.0
197.44301	0.6
222.99146	2.0
241.00218	7.0
276.84561	0.6
283.01147	1.3
286.64526	0.7
305.08438	1.1
323.04300	3.5
325.02283	2.2
385.04434	71.3
386.04697	2.4
421.79199	0.5
462.35236	0.6
507.08096	64.1
508.08337	5.1
516.48486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22068	0.3
55.03841	0.3
55.19552	0.3
59.01364	1.1
61.98832	1.3
69.54873	0.8
69.55288	1.2
75.00839	0.3
88.17998	0.3
98.19884	0.4
126.90510	100.0
439.33337	0.3
503.19110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36168	0.3
61.55437	0.3
61.98830	100.0
70.57899	0.3
70.58232	0.9
78.95916	1.4
90.91853	0.3
152.99637	1.4
177.71095	0.4
191.47351	0.3
225.22211	1.8
234.07484	0.3
245.04337	1.1
253.21835	0.7
270.24542	1.0
271.22775	0.4
277.21689	2.7
303.30975	0.4
312.25558	1.0
328.75217	0.3
350.30792	1.2
398.32767	1.6
442.31717	16.8
443.32373	1.1
505.25919	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	506.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40376	4.0
61.98830	100.0
66.71945	5.0
71.14235	9.5
72.32166	4.0
74.82771	4.7
91.64935	4.0
175.50677	4.7
195.53909	4.2
516.50543	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	506.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.4
59.01382	9.0
61.18144	1.1
61.98836	6.9
62.96394	1.2
71.01383	3.8
71.52998	1.9
73.02969	1.5
78.95904	41.4
85.02945	4.4
96.96035	2.3
97.02969	1.9
99.00887	2.3
101.02454	4.3
113.02396	1.5
122.00162	2.7
125.09756	1.5
129.07523	1.4
134.03682	1.9
135.03033	1.6
140.01178	12.7
152.99614	3.7
153.12952	1.3
163.11276	3.0
165.12843	7.7
171.10292	1.4
179.14467	1.8
181.12360	2.0
193.15857	1.5
196.03813	16.5
197.11752	1.1
209.11783	1.8
214.04858	5.6
223.13290	2.4
247.20573	8.8
273.18741	1.6
278.38950	1.5
291.19666	57.3
292.19904	2.0
309.20691	56.0
310.21152	3.0
327.16037	2.7
345.17191	2.6
450.56372	1.2
506.25275	100.0
506.33380	7.6
507.25400	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	506.9841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03445	4.8
59.01380	4.9
68.99781	0.6
70.05782	0.6
70.06175	0.7
71.01384	5.9
72.99318	1.4
73.02966	0.3
75.00882	1.4
82.03861	0.4
83.01386	1.0
83.67439	0.4
84.02148	1.3
84.82253	0.3
85.02950	49.2
86.03246	0.5
87.00873	1.0
88.98800	1.4
89.02458	2.4
96.96020	3.9
97.07027	0.3
98.19958	0.5
98.20530	0.6
100.40524	0.3
101.02467	0.5
103.00364	1.2
107.48138	0.3
111.00868	2.7
115.00375	1.2
129.01942	4.4
133.01439	4.0
134.89496	0.9
135.04518	1.9
147.03015	3.6
156.99071	0.4
173.00867	1.7
179.03503	1.2
191.01968	22.9
192.02225	0.6
209.03020	100.0
210.03389	1.8
236.39911	0.3
246.98605	0.5
334.72830	0.4
335.03470	0.4
344.95322	1.6
353.05072	1.4
371.06116	5.8
372.06659	0.4
409.01654	0.5
506.97736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.302
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
53.15401	1.4
59.01369	10.8
61.98826	1.9
65.08523	1.8
68.99786	1.5
70.34483	5.8
71.01404	11.3
72.98404	1.6
72.99292	3.1
75.00872	12.7
76.30127	1.4
85.02940	12.2
87.00867	4.1
89.02428	3.7
95.01373	3.8
98.20690	1.4
99.00877	10.0
113.02435	17.8
117.01918	1.7
127.87363	1.9
143.40601	1.4
154.94337	1.6
175.02440	2.3
197.33295	1.6
202.30203	1.5
249.06139	12.2
255.23280	82.7
256.23511	4.7
267.07016	1.7
363.27649	1.5
487.29221	4.0
505.30164	100.0
506.30569	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	505.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
59.01374	6.0
61.98835	2.8
70.19331	1.3
71.01381	11.4
71.77916	1.4
72.99308	4.4
75.00872	23.7
83.01381	5.7
85.02954	16.6
87.00873	3.6
89.02436	1.6
91.04047	1.7
95.01387	9.5
96.95826	1.3
99.00889	22.7
103.00419	1.4
111.00879	14.3
113.02460	22.8
130.50191	1.5
139.00392	2.9
154.73390	1.4
157.01407	4.9
169.04951	1.4
187.05968	1.8
205.07135	3.0
207.05098	2.0
229.53218	2.2
231.05107	3.9
249.06163	9.8
255.23283	100.0
256.23666	6.0
267.07181	14.4
505.30203	85.5
505.37827	2.9
506.30420	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33348	0.5
59.01377	17.9
61.98820	2.6
70.78652	1.3
71.01374	3.9
73.02946	3.2
83.01399	0.8
85.02956	3.5
85.03410	0.5
86.47628	0.6
86.50675	0.5
87.00887	1.4
89.02449	2.7
96.96001	5.9
99.00887	0.6
101.02435	4.0
109.02891	0.9
113.02442	1.6
116.92851	2.4
119.03531	0.7
123.04530	0.8
127.21114	0.6
133.05081	0.7
135.48796	0.5
143.03513	0.8
157.56197	0.6
161.04570	1.5
181.12373	0.6
198.88773	0.6
205.05016	1.0
209.11815	100.0
210.12163	3.3
211.79337	0.5
235.08170	3.4
241.00223	0.9
251.47151	0.7
253.09293	11.1
291.19550	0.6
309.20615	1.8
343.28580	0.7
381.16855	0.9
505.10559	3.6
505.22342	5.2
505.34021	5.8
506.25058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2571
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.23600	0.5
59.01378	1.0
61.98842	0.5
66.01950	0.4
71.28512	0.8
78.95901	25.9
91.48960	0.6
96.96983	2.1
98.20219	0.7
103.58918	0.5
152.58289	0.5
152.99582	38.8
161.47139	0.4
171.00653	1.9
227.03244	4.7
233.22810	0.6
245.04301	1.7
259.20663	0.7
275.20142	0.8
277.21707	100.0
278.22046	4.9
332.80322	0.4
359.26917	0.5
413.20984	1.5
465.47763	0.5
505.25720	81.7
506.26019	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	505.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30350	1.5
57.03436	5.3
59.01368	5.4
60.99284	1.9
71.01366	5.7
71.50018	2.8
72.99284	2.2
75.00878	1.6
80.09718	1.5
84.02129	2.3
85.02946	53.5
85.87459	1.7
86.03295	2.1
87.00851	2.2
87.92532	2.3
88.98808	9.5
89.02464	2.8
96.96022	7.8
101.02464	1.8
103.00391	2.5
103.92035	8.5
111.00847	2.6
114.82686	1.4
115.00358	2.8
129.01947	5.7
133.01437	9.1
135.04454	3.8
146.20055	1.8
147.02960	4.5
152.27118	1.6
169.19820	1.7
173.00970	2.2
179.03375	1.8
191.01955	25.8
209.03011	100.0
248.81868	2.8
250.83479	3.1
288.81326	1.8
306.82382	1.7
322.28204	1.5
340.49951	1.5
342.78683	3.1
360.79788	4.1
371.06009	6.5
392.46191	1.5
405.42023	1.4
414.77319	4.7
447.46216	1.8
450.75711	1.7
491.83969	1.9
505.12177	2.8
527.99048	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	504.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	21.1
59.01073	0.7
59.01378	18.2
61.98829	100.0
69.16715	0.5
69.53773	2.2
71.01385	4.9
72.73815	0.4
73.02958	1.7
77.40153	0.4
83.01377	0.7
85.02962	3.5
88.40427	0.4
89.02453	1.1
89.99935	0.5
90.77273	0.6
95.01398	0.8
96.96023	1.7
99.00837	0.5
99.04518	20.8
101.02443	7.4
109.02943	0.9
113.02464	2.1
115.92041	0.4
116.92873	0.9
125.02451	6.8
126.90495	1.2
135.04475	0.8
143.03528	1.0
161.02477	1.1
161.04535	2.5
197.24712	0.5
297.13358	3.4
339.14404	2.4
379.17542	1.1
414.00235	0.7
441.17712	13.8
442.18240	1.0
444.18381	0.6
489.15414	0.6
504.17831	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	504.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82662	0.0
54.50170	0.0
58.00382	0.0
59.01377	0.4
61.98826	0.1
71.01423	0.1
71.08076	0.1
74.85703	0.0
77.26395	0.0
78.95905	6.3
83.05009	0.1
91.00478	0.0
96.96932	0.0
97.06622	0.0
107.15380	0.0
110.42577	0.0
152.99585	0.7
168.02925	0.1
168.04317	1.5
171.00658	0.1
179.19127	0.1
185.71170	0.0
224.06912	0.9
242.08002	3.0
243.08391	0.0
245.04411	0.1
261.22287	0.4
277.21860	0.2
279.23282	100.0
280.23627	5.6
504.30972	10.1
505.24548	0.1
505.31262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2502
Annotation	Reniformin
Peak:m/z	Relative Intensity
52.79897	0.5
55.01873	1.4
57.03442	2.0
58.00580	0.8
59.01381	28.0
61.98824	4.6
71.01380	15.9
71.05034	0.4
71.51816	0.5
72.99296	2.1
73.02944	4.3
74.92348	0.6
81.03461	0.5
83.01384	2.3
83.05053	0.8
85.02951	6.2
87.00874	5.6
88.98830	0.6
89.02445	4.8
95.01416	1.2
96.95972	0.8
97.02946	0.6
99.00882	1.8
99.08108	0.7
101.02447	8.2
111.00857	0.6
113.02455	5.2
116.92868	0.7
119.03484	1.6
125.02417	1.2
129.01994	0.6
134.03711	0.9
135.04578	1.0
139.11282	0.5
143.03502	0.6
149.00902	1.7
193.05212	1.1
219.17529	5.6
225.09126	0.5
237.18599	3.7
255.19627	3.4
263.16479	2.4
280.11008	1.2
281.14923	0.3
281.17569	12.8
299.18622	20.0
300.18857	1.1
309.15009	1.6
313.20282	1.6
327.16064	1.7
341.19812	1.0
353.14035	0.8
359.28073	0.8
371.15012	0.8
402.60098	0.5
425.21579	0.6
443.22852	17.7
444.22946	0.9
461.23886	30.2
462.24429	2.6
503.25015	100.0
503.32269	6.2
504.25336	8.1
504.32370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12369	0.9
57.03449	28.6
59.01378	23.7
59.60348	0.9
60.60292	1.1
61.98829	100.0
71.01385	8.7
71.14646	2.4
73.02969	1.6
75.00874	1.2
78.95906	1.1
79.17738	1.1
85.02951	6.8
87.00896	1.4
89.02453	2.6
96.96014	31.2
96.96980	4.1
98.95583	1.0
99.00869	1.7
99.04519	23.2
99.92587	8.5
100.04870	0.9
101.02450	10.5
113.02422	3.7
115.92060	4.4
116.92848	13.6
119.03579	1.2
119.05021	14.7
122.98698	0.9
125.02470	8.8
125.53344	0.9
139.11557	1.0
143.03523	1.1
147.03085	1.2
156.37289	1.0
161.02492	1.0
161.04552	6.3
191.02086	1.9
199.13303	2.4
241.00185	1.2
282.17368	1.2
297.13391	2.8
309.08386	1.0
339.14346	1.7
343.17899	1.2
360.85825	1.1
361.06018	1.2
361.18610	15.9
403.19751	7.8
441.17664	7.4
443.22791	1.1
469.12097	2.2
504.17715	1.1
505.09793	31.7
505.22800	2.4
505.34079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03450	26.8
59.01381	10.2
61.98827	0.7
64.99104	0.4
70.52523	1.3
71.00443	0.4
71.01395	3.7
73.02964	1.9
75.00838	0.4
79.95751	3.8
80.31953	0.4
80.96518	1.1
83.01387	1.1
85.02958	2.6
87.00871	0.5
89.02485	0.6
96.96010	28.6
99.00874	0.7
99.04519	17.4
101.01802	0.8
101.02445	9.7
113.02438	1.8
125.02431	1.1
130.01535	0.4
161.04550	11.0
164.98634	1.1
241.00322	0.5
279.14374	3.7
337.58167	0.4
341.08984	2.5
359.10165	9.3
423.18625	0.8
441.14450	3.1
443.12302	1.9
503.14392	100.0
504.14722	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	503.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	22.3
59.01381	10.4
61.98833	0.8
70.66576	1.2
71.01392	4.8
73.02942	1.8
75.00824	0.4
79.95735	3.5
80.96539	1.0
81.21564	0.4
83.01391	0.9
85.02964	2.6
87.00888	0.6
89.02437	0.8
95.01392	0.5
96.96016	29.8
98.20318	0.7
99.00879	0.6
99.04521	18.1
99.92564	1.7
101.02448	9.1
113.02473	2.0
115.92065	0.6
116.92866	27.8
117.01933	1.8
117.92875	0.9
125.02446	1.5
143.03560	0.5
159.03024	0.8
161.04567	12.4
164.98616	1.3
210.62399	0.4
222.51331	0.4
226.96727	0.4
231.92439	0.4
241.00458	0.5
279.14481	3.8
279.17310	0.6
300.40176	0.5
341.09061	2.2
359.10141	8.2
401.11209	1.0
423.18646	0.9
441.14294	3.6
443.12292	1.1
492.11853	0.5
503.14413	100.0
504.14700	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	503.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	25.8
59.01114	0.8
59.01380	11.0
65.81210	0.4
67.07854	0.4
69.42516	3.1
71.01377	3.9
73.02928	1.7
79.95731	4.2
80.96503	1.3
83.01371	1.1
85.02952	2.6
86.53016	0.5
89.02417	0.6
93.43377	0.5
96.96012	29.2
98.19978	0.9
99.04514	19.6
99.72588	0.5
101.02441	11.2
113.02431	1.6
116.92870	0.6
125.02467	1.4
143.03485	0.7
152.65179	0.5
161.04549	12.0
161.05876	0.7
164.98579	1.0
179.03494	0.9
241.28925	0.5
279.14447	5.3
295.73257	0.4
304.70859	0.5
323.68616	0.6
341.09186	3.2
359.05957	0.7
359.10208	9.8
360.10327	0.7
401.11349	0.8
423.18704	0.9
441.14398	4.1
443.11990	1.0
503.14386	100.0
504.14670	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	503.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	21.3
59.01379	11.7
61.98828	100.0
69.74666	3.5
71.01384	6.2
73.02953	1.0
75.00877	1.2
80.91676	2.1
83.01396	1.6
85.02943	8.1
85.71255	0.7
87.00882	0.9
88.41190	0.9
88.98822	1.3
89.02436	1.6
89.74857	0.7
96.95988	5.2
99.04515	24.4
101.02442	8.7
109.03031	1.0
110.66726	0.7
113.02453	2.2
116.92874	1.7
119.03495	0.9
119.05107	0.7
125.02453	13.2
125.03334	1.0
129.01952	1.3
135.04568	1.5
143.03522	2.0
147.03009	1.1
161.02483	1.7
161.04538	12.6
179.03490	1.1
191.02010	1.8
228.43408	0.7
284.03302	1.0
299.05652	1.0
312.02911	1.2
321.08270	1.6
338.08652	1.6
359.15158	1.1
396.15112	0.9
419.33069	0.7
440.14090	15.4
440.19650	1.0
441.14368	0.9
503.07959	1.2
503.19339	2.5
503.25989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78932	0.4
57.03444	6.5
59.01379	6.6
60.99305	15.9
61.98829	16.9
69.94633	1.9
71.01375	2.1
73.02910	0.6
79.95717	0.5
85.02953	4.8
85.51876	0.4
87.00895	0.8
88.98804	100.0
89.02459	0.9
89.99149	0.9
92.52669	0.4
96.96019	3.5
99.04520	6.8
101.02447	3.1
111.00839	0.5
113.36333	0.4
113.37209	0.4
116.92857	3.1
117.01925	0.4
125.02441	3.4
129.01941	0.8
130.08734	0.8
131.09074	0.4
134.03728	0.4
135.04524	2.1
147.02980	0.8
161.02469	0.4
161.04561	1.4
179.03537	1.1
185.11787	0.6
191.01915	0.9
209.02968	0.6
269.10126	0.5
301.03473	0.6
311.27045	0.4
413.14456	1.4
436.98752	0.4
440.13953	1.6
503.14252	3.5
503.25903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46279	0.5
53.92962	0.5
57.03447	17.1
59.01376	8.0
61.98830	1.0
62.41322	0.4
67.16232	0.5
69.40348	3.8
69.89185	0.4
71.01376	3.1
73.02946	4.4
75.00871	0.5
79.95725	2.1
80.96509	1.0
83.01384	1.2
84.43478	0.5
85.02943	3.5
89.02453	1.0
96.96010	20.9
99.00895	1.3
99.04522	14.0
99.92580	9.8
101.02437	8.1
113.02444	1.7
114.93488	0.4
116.92861	100.0
117.01943	7.5
117.92876	3.4
119.03506	0.6
121.02933	0.6
125.02423	1.2
133.66028	0.4
142.12486	0.4
147.02969	0.6
161.02499	0.5
161.04558	8.4
164.98624	0.7
191.02010	0.7
276.40201	0.4
279.14478	1.8
341.08884	2.3
359.10184	4.7
372.71164	0.6
433.40500	0.5
441.14240	2.1
443.12210	1.0
503.14377	65.2
504.14697	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	501.2114
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
57.03431	3.6
59.01379	100.0
61.98830	29.7
69.15031	4.1
69.15430	25.0
71.01382	14.8
72.99306	5.3
73.02954	5.7
78.91895	6.2
83.01385	5.4
85.02948	10.6
85.29189	2.9
87.00881	4.8
88.98806	5.4
89.02446	8.1
96.96011	11.7
98.20576	10.0
99.04507	3.3
101.02437	10.2
109.02987	3.1
113.02411	3.7
113.06152	3.1
117.51400	2.7
121.02970	24.4
131.03456	4.1
149.04549	8.4
151.11464	2.8
152.99582	3.2
155.92728	3.0
161.24365	2.6
191.01944	3.8
252.22075	2.9
273.17224	4.6
285.04074	4.2
341.06332	3.3
455.54083	3.3
465.11575	3.9
501.14224	5.4
501.21194	50.2
502.21368	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	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94396	0.1
59.01381	1.1
61.98820	0.2
62.96400	0.1
69.93992	0.1
70.06511	0.1
70.91853	0.2
70.92204	0.1
71.01396	0.4
73.21835	0.1
78.95905	25.6
83.05032	0.2
96.96968	0.4
99.04549	0.1
122.98534	0.2
127.07626	0.3
134.98509	0.1
152.99585	2.7
168.04306	3.8
171.00629	0.1
171.43631	0.1
174.17584	0.1
194.05817	0.2
205.19608	0.2
224.06929	11.1
225.07304	0.2
233.22768	0.4
242.08002	2.8
257.18802	0.1
259.20566	0.5
275.20148	0.4
277.21713	100.0
278.22055	5.1
306.43283	0.1
413.20828	0.2
502.29401	36.1
503.29718	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	499.065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89904	0.8
59.01374	1.0
61.98834	5.4
69.22560	4.2
69.22989	3.4
83.01396	1.0
85.02953	1.8
98.20104	4.1
107.01408	2.3
108.02153	1.4
109.02969	0.9
121.02943	1.0
151.00340	7.8
163.00340	2.3
178.99835	4.2
226.02637	1.0
227.03430	1.7
243.02940	6.9
244.03729	1.1
254.02237	2.1
255.02995	19.8
271.02478	42.3
272.03018	4.2
300.02759	90.7
301.03479	31.9
311.02551	0.9
463.08826	100.0
464.09146	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	500.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.98831	100.0
63.54988	1.0
69.19759	4.1
69.20181	5.3
72.66516	1.0
126.90504	3.5
131.66180	0.9
176.44211	1.1
237.64842	1.0
425.83691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69214	0.6
59.01377	22.2
61.47562	0.7
61.98824	7.0
62.16704	0.6
70.37022	2.4
71.01390	0.9
78.95924	0.9
85.02944	1.5
89.02420	1.0
91.01917	0.8
93.03450	1.7
96.96002	1.3
96.96955	0.7
97.06613	0.7
99.92585	47.8
100.92626	1.0
100.93356	5.2
108.02166	3.0
108.93886	0.8
111.00869	1.6
113.02531	0.7
114.94931	1.6
115.92075	71.5
116.92086	2.9
116.92853	14.5
121.02954	55.0
123.00832	1.0
132.92332	0.9
137.02403	0.8
142.94412	42.4
143.95316	1.0
163.04083	0.9
165.01920	2.8
173.00883	0.8
180.05797	0.8
181.06592	1.6
191.95236	3.2
192.95900	2.1
202.34998	0.6
204.95912	1.0
208.95541	3.2
209.04532	5.3
219.94688	1.4
220.95389	3.3
225.05507	1.4
231.17848	0.6
234.97031	2.3
236.94978	8.6
246.96959	1.1
248.94965	3.9
248.98526	1.6
252.94408	1.4
262.96439	1.7
264.94482	2.4
278.95981	1.6
280.93921	5.5
290.95987	1.8
308.97079	2.1
313.07281	1.1
327.06796	0.8
357.06158	7.8
382.98715	1.6
383.99261	1.4
384.99969	1.7
394.98599	1.5
395.99417	0.9
400.99655	2.1
412.99622	7.1
413.99930	1.2
428.99142	2.0
439.98355	9.0
440.98975	4.5
456.98367	1.1
501.01291	100.0
501.31964	2.6
502.01450	10.6
524.98267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	22.0
58.16092	0.5
59.01379	11.6
61.98819	1.6
65.25428	0.5
69.89777	2.0
71.01384	6.7
73.02944	4.4
75.35933	0.5
75.96401	0.6
79.95747	3.4
80.96513	1.0
83.01374	1.9
85.02951	11.2
87.00866	0.6
89.02444	3.2
96.96011	29.5
99.04515	16.0
101.01794	1.1
101.02433	12.4
111.00871	0.7
113.02445	3.1
119.03468	1.5
119.05005	1.5
119.45744	0.5
123.04463	1.2
125.02458	1.4
126.90513	1.4
128.03513	0.5
129.01981	1.1
130.67146	0.5
141.05675	0.6
143.03506	1.1
144.57877	0.6
147.02975	1.1
161.04559	10.9
164.98651	1.1
165.01889	0.9
173.00893	0.6
191.02036	1.4
209.31454	0.6
223.07660	1.0
279.14465	1.2
327.08676	1.4
338.20255	0.7
339.07379	2.3
357.08640	8.6
399.09579	1.0
421.17230	0.9
439.12750	2.8
441.10516	1.6
441.19714	5.3
460.42160	0.6
501.12796	100.0
502.13202	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90732	0.8
61.98829	100.0
78.30948	0.7
98.20671	2.1
126.90516	2.0
236.78268	0.9
315.53998	0.8
342.67542	0.9
361.86765	0.9
432.54871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.9741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55796	0.6
55.01873	1.7
57.03445	9.1
59.01373	6.0
61.98850	0.8
69.53976	1.6
69.54384	4.2
71.01380	3.8
72.99309	1.0
73.02940	1.1
83.01369	1.4
84.02151	1.7
85.02946	72.4
86.08554	0.7
86.19174	0.8
88.98790	1.1
89.02440	0.8
96.96004	2.4
101.02451	1.2
103.00386	0.8
111.00887	2.5
113.50842	0.8
115.00381	0.7
126.12704	0.7
126.90502	100.0
129.01950	12.3
133.01482	0.9
135.04520	6.3
137.86510	0.8
147.02988	15.5
173.00934	2.8
179.03506	4.4
191.01979	34.6
209.03003	8.4
353.05075	2.3
371.06143	28.3
371.10797	1.5
372.06668	0.7
439.21927	1.8
499.14343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88268	0.4
53.90525	0.4
55.01878	1.0
57.03443	4.7
58.00601	0.4
59.01374	6.4
68.99815	0.8
70.05756	1.3
71.01014	0.5
71.01383	6.5
72.99312	4.8
75.00864	1.4
75.93470	0.4
78.95908	0.8
79.23608	0.5
83.01393	1.4
84.02153	1.6
85.02949	52.2
85.68164	0.4
86.03265	0.6
87.00875	2.2
87.92538	1.0
88.98801	1.6
89.02441	2.8
96.96011	4.0
96.96957	1.0
101.02419	0.8
103.00352	1.4
103.92020	1.4
111.00890	2.8
115.00381	1.1
126.90504	32.6
129.01939	4.5
133.01416	4.8
135.04512	3.4
147.03006	3.3
156.91504	1.2
156.92622	0.7
156.99060	4.8
161.02487	1.2
166.97536	0.6
170.96988	1.3
173.00909	1.2
179.03540	2.4
188.83998	0.5
191.01985	24.4
192.02281	0.9
209.03027	100.0
210.03456	2.5
210.79170	0.4
228.97545	1.1
230.06276	0.4
230.81570	0.5
246.98605	10.2
277.00870	0.5
336.98117	1.1
353.05423	0.5
371.06165	7.9
391.00806	0.5
409.01660	5.1
425.61124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15808	0.3
58.80545	0.3
60.18953	0.3
60.19257	0.3
61.98830	100.0
63.94168	0.3
65.25159	0.3
70.81696	0.5
70.82044	0.6
102.91858	0.3
111.00897	1.2
125.29510	0.3
126.90531	2.9
138.93706	0.3
215.96307	0.3
269.21405	0.4
269.48410	0.3
342.85922	0.3
388.37830	0.4
396.01447	0.4
500.54001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76931	0.8
59.01355	0.9
61.98831	100.0
63.43251	0.9
83.92034	1.1
98.20770	2.2
111.00877	3.9
126.90477	1.7
147.60008	1.3
163.22487	0.9
171.00046	0.9
178.02119	0.9
258.30869	1.0
263.20206	2.3
269.21100	1.3
303.22058	1.0
309.16226	1.0
375.84503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.00588	1.9
59.01379	40.5
60.99297	1.5
61.98828	50.1
69.03458	1.3
69.21767	6.6
69.22187	1.5
71.01381	40.7
72.99314	2.7
73.02941	3.2
81.03449	1.4
83.01401	2.0
85.02943	8.5
87.00876	3.1
88.98808	13.5
89.02444	46.5
95.22611	0.8
96.71221	0.8
96.96004	1.5
97.02965	3.0
97.72516	0.8
101.02438	13.5
111.00896	1.8
113.02447	6.9
116.92857	1.2
119.03505	2.3
121.02876	1.0
125.02454	12.6
131.03505	13.4
133.01410	0.9
135.04495	1.4
137.02391	1.2
143.03519	1.4
143.10779	100.0
144.11125	2.8
149.04564	23.1
159.64706	1.1
161.02422	1.3
163.29626	0.9
167.10770	1.7
191.01874	1.2
191.05611	5.8
233.06618	2.8
293.08774	36.9
294.09070	1.8
311.54541	0.9
402.76105	0.8
437.20380	3.9
461.76385	0.9
467.17374	1.2
497.16986	2.7
497.29099	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18835	5.4
59.01381	100.0
61.98836	54.4
64.91504	5.2
68.99583	13.7
69.27734	45.5
71.01372	20.1
78.38161	5.5
78.95913	15.2
85.02942	17.2
86.12045	5.3
87.00942	4.5
89.02470	8.2
91.51135	5.3
96.96008	5.1
99.92582	8.5
101.02436	11.5
112.98576	20.4
113.02391	5.1
114.76910	4.8
115.92156	6.0
116.92872	19.9
126.90377	7.0
135.04547	9.1
149.04512	7.8
149.84592	5.4
152.99576	8.2
167.10760	25.8
234.11014	5.3
260.11945	5.2
293.08881	10.4
329.06555	32.6
465.12256	6.6
497.17810	41.0
514.05212	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.6
59.62016	0.5
61.98832	6.4
71.01384	2.2
73.02980	0.6
78.95902	1.6
85.02954	0.9
96.95995	1.3
99.00874	1.2
99.92584	47.4
100.92659	1.5
100.93363	5.6
101.02444	1.3
108.02175	0.8
109.02969	0.6
113.02489	0.7
115.92076	100.0
116.92100	2.7
116.92855	35.1
117.92809	0.9
121.02966	0.7
123.04533	0.7
126.90485	1.2
132.92386	1.1
135.04424	0.6
149.06104	0.6
152.99570	1.8
167.07167	1.1
207.37204	0.5
209.11867	0.6
217.96535	0.6
219.98468	0.6
220.99194	0.7
231.98354	0.6
232.99033	0.6
267.03293	1.0
279.03369	1.0
305.17429	0.6
307.02710	1.1
322.05307	1.5
347.09985	0.7
357.07941	1.7
359.09421	0.8
371.09628	2.2
373.07095	0.7
373.11301	3.0
375.08813	1.5
377.10556	1.1
385.07440	2.2
389.10605	40.7
390.10806	3.7
391.12354	0.7
393.10349	0.6
403.08521	8.0
404.08878	0.6
405.10016	0.7
407.12000	2.7
409.09995	0.7
421.09592	6.2
425.12640	3.8
453.12329	3.2
497.11047	0.9
497.27277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01376	4.7
59.24075	0.7
61.52518	0.6
61.98823	9.1
71.01376	1.6
71.44959	0.6
71.52761	0.7
72.99326	0.8
73.02959	0.9
75.75109	0.6
78.95925	1.0
83.01398	2.2
85.02959	4.1
86.60507	0.7
89.02442	1.0
92.99824	4.3
93.03482	1.1
96.96013	2.6
101.02418	2.4
103.00396	1.4
104.99856	1.2
106.00553	0.8
109.02939	0.7
111.00877	0.9
114.60796	0.7
119.05016	0.8
120.99290	3.1
121.02943	3.8
123.00876	1.6
124.01693	0.8
126.90504	1.6
137.02455	1.7
137.09795	0.9
138.80386	0.7
139.04004	0.9
140.97488	0.8
145.02992	0.9
146.03787	1.0
148.01659	4.8
149.02423	2.5
157.02963	1.0
158.03770	2.0
159.04510	0.7
161.02446	1.9
169.02864	0.7
170.03758	3.2
171.04446	1.6
172.01749	0.8
173.02512	0.8
174.03239	1.5
181.02879	0.8
182.02190	1.1
184.96469	11.2
185.02419	1.3
186.03259	6.3
187.03896	1.2
189.01921	1.5
191.02040	0.9
196.96465	1.1
197.02452	3.6
197.04572	1.9
198.03201	7.1
198.04820	1.0
199.03778	1.3
200.01161	1.5
201.01869	1.3
212.96001	4.8
213.00040	0.8
213.01860	4.6
214.02708	10.4
215.03397	2.0
225.01993	2.0
226.02699	3.1
227.03502	2.7
229.01357	0.7
241.01418	4.3
242.02193	26.4
243.02986	3.6
253.01454	1.1
269.00922	2.6
270.01706	11.8
271.02359	5.6
276.99084	4.3
281.00858	0.7
287.98441	1.6
288.99054	1.6
298.01166	18.4
298.06378	1.7
299.01950	5.0
299.06647	2.1
304.98560	7.3
316.98651	0.8
333.98843	94.0
334.99588	57.1
336.00018	3.0
497.04907	100.0
497.20120	2.5
498.05304	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	496.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24762	0.4
54.63943	0.5
59.01387	4.0
60.99299	2.1
61.98832	100.0
71.01382	0.9
72.99311	0.8
75.00890	2.7
78.95936	0.5
83.01406	0.5
85.02961	1.6
87.00858	0.4
88.00416	1.1
88.51241	0.4
88.98809	13.1
89.02442	1.3
89.99161	1.1
93.63377	0.4
95.85584	0.4
96.95984	0.7
98.19897	1.2
99.00900	0.4
101.02470	0.9
113.02432	0.6
125.02444	0.4
126.90491	0.5
130.82286	0.6
153.92812	0.4
306.45569	0.5
366.28915	0.5
436.22879	1.1
483.36932	0.6
496.17963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01381	1.9
60.61466	0.4
61.98830	100.0
71.01387	1.0
73.02953	0.3
78.95924	0.4
83.01403	0.4
85.02935	2.1
88.98818	1.0
96.96034	0.8
101.02474	0.7
105.10873	0.3
113.02530	0.3
116.92863	0.5
121.03042	0.5
121.47872	0.3
129.01929	0.7
135.04572	0.5
137.02509	0.3
146.39317	0.3
151.00435	0.3
161.02492	0.5
170.03767	0.4
178.37563	0.4
184.96472	1.0
191.02016	0.6
197.04535	0.5
198.03288	0.5
209.03204	0.3
214.02740	0.7
242.02289	1.7
247.75604	0.3
253.09364	0.4
259.15585	1.4
260.15872	0.5
261.17145	0.5
270.01752	0.8
272.11246	0.6
276.99179	0.5
289.07413	0.4
298.01328	1.0
304.98831	0.5
333.98859	6.0
334.99594	3.3
352.35501	0.4
497.04919	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	496.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	19.8
59.01379	11.3
60.11386	0.7
61.98829	6.2
66.03480	1.6
68.47311	0.7
71.01384	5.6
71.51034	1.2
73.02951	1.2
75.00858	0.8
79.95730	2.2
80.96525	1.1
85.02953	6.1
85.83096	0.7
88.98813	3.1
89.02438	2.0
96.96007	100.0
99.04511	23.0
100.61796	0.7
101.02439	10.2
106.72497	0.8
110.02466	3.9
111.00964	0.9
113.02431	2.0
123.04542	1.4
125.02484	3.3
126.90503	1.0
129.01912	1.3
135.04497	0.8
136.99261	0.8
143.03522	1.4
147.02969	0.9
150.53119	0.7
152.28821	0.7
161.04546	18.9
190.98230	1.0
191.01985	1.3
197.04697	0.7
222.99274	1.6
241.00189	7.0
249.36751	0.9
264.54770	0.7
271.10672	1.1
272.11188	1.1
305.08685	0.8
323.04416	1.9
325.02304	1.9
346.60284	0.7
385.04422	62.9
386.04700	1.7
403.05569	1.9
496.07648	52.0
497.07764	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	496.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12830	0.9
51.34729	1.0
57.03437	2.6
59.01376	6.9
61.98828	23.7
71.01390	2.9
71.51766	1.6
82.23878	1.3
85.02956	8.4
88.98858	1.5
90.89447	0.9
93.02518	0.9
96.96005	2.1
99.00884	2.2
99.04511	1.4
99.85080	1.0
101.02446	2.1
108.02170	1.2
117.09737	1.0
119.45873	1.1
129.01817	1.1
148.01698	1.1
151.00356	5.9
178.33463	1.1
178.99869	2.7
190.04881	1.2
191.02048	1.8
243.02969	5.4
253.09302	1.7
255.02975	16.6
259.15491	12.4
260.15796	2.9
270.99969	1.0
271.02457	38.3
272.03003	3.1
300.02747	87.3
301.03427	19.7
359.17337	2.1
433.07733	100.0
434.07993	6.6
480.18652	1.3
500.57977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61982	1.9
57.03460	7.8
59.01381	100.0
61.98838	23.1
70.99361	2.9
70.99687	3.3
71.01387	23.6
73.02956	17.1
78.95908	15.7
83.01398	5.0
85.02950	7.2
87.00867	5.1
89.02459	4.9
90.62482	1.8
96.96000	2.8
99.04517	3.4
101.02447	19.3
113.02441	8.2
125.02470	3.0
137.09724	10.3
143.03511	2.4
143.04643	2.3
145.05080	4.8
149.04523	2.1
152.99573	15.0
161.04546	8.8
163.11313	3.0
187.11278	2.7
194.59956	1.9
203.14427	7.4
217.15924	9.9
223.13400	9.9
235.08284	4.8
273.18585	12.4
277.09164	2.5
283.70404	2.0
459.22424	3.1
495.19434	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	495.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54157	0.6
51.94532	0.6
57.03448	1.9
59.01366	2.4
60.99306	13.7
61.98826	20.3
71.01394	1.6
72.99285	0.8
75.78637	0.7
80.96529	0.9
85.02953	4.9
87.00838	0.7
88.98806	100.0
89.02452	5.7
89.23088	0.7
89.99146	0.9
96.96001	3.9
101.02415	1.6
108.74513	0.7
113.02457	1.0
116.92821	3.7
119.04970	0.8
129.01962	1.1
161.04613	0.7
183.03012	2.5
191.01996	1.7
195.70041	0.7
300.91748	0.8
495.08426	0.9
495.15326	1.3
510.18555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54054	1.0
57.03447	8.6
59.01382	73.1
61.98830	10.9
69.66731	5.9
71.01388	4.7
73.02937	1.9
75.00867	1.2
78.95892	2.1
84.17611	1.0
85.02942	5.7
87.04514	9.5
88.98816	1.0
89.02493	0.9
89.49085	0.9
96.71426	0.9
96.96030	2.6
98.19961	1.7
98.20543	2.0
99.04566	0.9
101.02465	2.9
103.04012	100.0
104.04356	1.4
113.02468	2.1
116.92857	1.3
125.02435	1.1
126.90518	1.8
127.04104	1.1
129.01968	2.6
135.04488	1.1
147.02971	1.1
159.83765	0.8
173.00882	1.2
401.19620	1.0
435.22150	4.6
483.67429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.3
59.01381	3.8
60.99306	12.4
61.98827	6.2
70.78986	1.1
71.01375	0.8
73.01299	0.4
73.02953	0.5
74.99100	0.5
75.95468	0.4
85.02950	1.5
88.98804	100.0
89.02445	1.0
89.64536	0.5
89.99150	1.2
96.96027	0.7
99.04520	2.1
101.02431	1.6
113.02391	0.5
125.02457	1.0
132.77013	0.4
273.07635	0.5
284.03485	0.4
304.73950	0.4
351.03198	0.7
405.17871	1.6
432.10056	0.8
495.10519	0.7
498.33533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2003
Annotation	(-)-Trichodimerol
Peak:m/z	Relative Intensity
57.93253	7.1
59.01383	100.0
60.10986	7.1
61.98821	23.4
71.41201	8.6
71.41535	10.9
73.02952	7.4
78.95897	11.9
85.02950	15.2
89.53738	7.5
101.02418	11.1
108.03957	9.9
113.02392	10.5
152.99564	19.4
163.73956	8.0
164.42337	7.7
223.13330	15.8
235.19391	8.5
291.92117	8.2
332.89178	10.6
398.26184	7.9
464.08768	9.3
495.19724	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	495.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76413	0.6
59.01379	4.4
60.99004	1.2
60.99301	14.3
61.60729	0.8
61.98828	32.5
69.31561	2.9
69.31975	1.9
71.01376	1.3
73.02962	1.2
78.95866	0.9
80.24901	0.6
85.02949	1.7
87.00883	1.7
88.00404	1.6
88.98804	100.0
89.02444	7.5
89.99133	1.0
101.02473	1.0
122.49520	0.7
126.90514	0.7
135.04494	0.7
163.48219	0.7
177.01947	0.9
197.11867	0.7
198.12032	0.8
198.98416	0.6
314.45532	0.8
432.19559	1.4
435.22186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51047	0.2
55.84298	0.2
59.01388	2.2
61.98832	1.3
63.02391	0.5
65.00325	0.4
70.21450	0.2
71.01366	0.6
71.39073	0.3
72.16718	0.3
72.99300	0.2
74.43642	0.3
75.00884	0.2
78.01112	0.4
83.01372	0.7
85.02943	1.2
85.41677	0.2
87.00896	0.4
88.98820	0.6
89.00324	2.9
89.02476	0.2
91.01904	1.8
95.01395	1.2
96.96001	0.6
99.00869	0.4
106.00603	3.1
109.02966	0.2
111.00889	0.9
114.27915	0.3
121.02956	35.7
122.03286	1.0
123.00884	6.2
126.84827	0.2
127.00375	0.6
129.01846	0.3
135.02972	0.4
136.98811	0.7
137.02460	0.5
138.03223	3.7
139.00385	1.2
139.03923	0.3
153.05573	28.2
154.05867	0.6
154.99925	0.5
155.40027	0.3
165.01909	0.3
166.99847	4.9
181.01463	0.4
182.02203	15.9
183.02641	0.6
191.01927	0.4
197.04543	100.0
198.04872	3.2
297.06140	6.2
298.06293	0.4
315.07251	4.2
329.09058	0.3
333.10944	0.3
392.72086	0.3
402.07266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
58.00576	0.8
59.01380	13.3
60.23011	0.4
61.98822	1.6
67.58072	0.5
71.01387	8.7
71.07069	0.4
71.51924	0.7
72.99321	0.9
73.02940	1.1
75.00872	0.5
83.01385	1.3
85.02952	7.2
86.03291	0.6
87.00861	0.8
88.98803	1.8
89.02438	9.5
95.01386	0.7
96.96014	2.5
101.02438	3.7
108.04546	2.8
108.05161	0.4
111.00873	1.0
113.02442	3.0
115.50925	0.4
116.92929	0.4
119.03512	3.2
120.04527	0.5
121.02940	1.7
122.06097	0.5
123.03197	0.8
129.01920	2.0
130.02249	0.5
131.02385	0.6
131.03528	0.4
134.06104	1.5
135.04510	0.4
136.04016	1.8
138.05595	3.7
143.03502	0.6
145.02943	0.8
147.03082	0.9
148.04002	0.9
148.07652	1.6
149.04639	0.7
150.05630	3.4
153.05553	0.7
154.06046	0.4
157.41808	0.4
160.04141	0.8
160.06412	0.8
161.04619	1.5
162.05614	0.6
164.07170	0.6
167.03481	0.8
174.05614	1.5
175.05069	0.5
179.05630	1.1
182.04494	0.7
185.09775	0.8
186.09215	1.8
187.06396	0.5
191.02003	0.6
191.08652	0.5
197.04684	2.0
198.05550	2.4
199.04997	0.7
200.10745	0.9
201.06712	0.6
209.03064	0.8
210.09212	0.7
211.06340	0.9
212.07077	4.5
213.08002	11.1
214.07588	1.4
226.08786	1.0
227.04694	0.9
227.11905	0.8
228.05472	1.2
228.10341	19.9
229.09798	13.4
230.10194	0.9
231.11337	0.7
238.07478	0.6
239.05817	0.6
240.05341	1.3
241.06235	4.2
242.07010	0.9
243.07611	2.1
243.11417	1.7
253.09834	5.4
254.08104	1.0
255.07729	7.7
256.08521	13.0
264.46609	0.5
269.09348	0.8
271.10870	100.0
272.11325	4.5
273.08743	1.2
282.06152	0.5
297.08817	1.2
315.09851	28.5
316.10168	1.6
333.13361	1.1
451.16855	0.6
495.16275	1.9
495.24347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Lanceolitol A1
Peak:m/z	Relative Intensity
50.91000	0.8
50.95513	0.8
51.30581	0.7
53.76458	0.7
55.01870	1.3
57.03436	2.0
58.77241	0.7
59.01380	59.7
61.98833	9.5
62.43042	0.7
71.01381	19.6
72.99311	1.8
73.02930	2.9
73.47128	1.0
78.95894	0.8
82.58121	0.7
83.01395	2.4
83.38979	0.7
85.02953	8.3
87.00869	1.7
89.02434	2.4
95.01372	1.0
96.95998	2.9
99.00885	2.7
101.02438	8.1
111.29948	0.7
113.02449	5.3
113.31495	0.8
116.92847	2.7
117.01904	0.9
119.03474	1.3
124.01609	1.1
134.04787	0.8
237.18576	1.0
239.16522	2.4
251.16362	1.0
255.19667	1.4
257.17575	3.4
331.03482	1.4
331.12054	1.6
335.49756	0.8
361.08334	1.8
399.23846	1.6
401.21716	7.9
465.84360	0.9
475.25586	5.2
478.28220	0.9
493.26489	100.0
494.26801	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	494.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18639	0.3
57.03444	0.4
59.01377	2.6
61.98830	100.0
65.38757	0.3
68.99570	0.3
69.41464	0.6
69.41882	1.2
71.01386	0.6
72.99319	0.7
73.02942	0.3
73.58073	0.2
73.87688	0.2
74.50607	0.3
78.95948	0.2
85.02962	0.9
93.74805	0.3
96.96034	0.4
99.04511	0.4
103.56635	0.3
127.95634	0.3
167.20825	0.3
187.71118	0.2
266.66263	0.3
337.72388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23096	0.2
57.03464	0.3
59.01375	1.8
61.98833	0.9
65.00307	0.4
69.47760	0.6
69.48164	1.6
70.89206	0.3
71.01375	0.6
75.00861	0.4
78.01106	0.3
83.01379	0.4
85.02940	1.4
88.98813	0.9
89.00340	2.7
91.01878	1.4
95.01382	1.2
96.95994	0.6
99.00879	0.5
101.02442	0.4
106.00610	3.1
110.00108	0.4
111.00895	1.1
112.59528	0.3
118.94173	0.3
121.02953	37.2
122.03278	1.0
123.00882	6.7
125.02405	0.3
127.00366	1.1
135.02980	0.3
136.98816	1.1
137.02380	0.6
138.03220	3.2
139.00360	0.9
153.01918	0.7
153.05568	27.3
153.62753	0.3
154.02658	0.4
154.05899	0.6
154.99844	0.4
166.99834	5.9
181.01456	0.4
182.02194	17.0
183.02457	0.4
197.04538	100.0
198.04865	2.7
297.03015	0.5
297.06125	7.0
315.07233	4.6
375.23776	0.4
379.49323	0.3
384.78357	0.3
453.98401	0.3
495.10965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01381	14.7
59.07682	0.5
61.98830	18.5
63.99023	0.4
64.05924	0.4
69.03424	0.5
70.71230	0.6
70.71573	1.0
71.01382	3.3
73.02947	0.9
74.47046	0.5
75.88699	0.5
78.95871	0.7
83.01384	0.8
85.02953	1.9
87.00887	3.5
88.00404	0.8
88.98798	0.6
89.02464	2.4
96.95985	1.5
101.02425	3.0
113.02447	1.2
116.92917	0.5
119.03474	0.9
149.08499	0.5
153.12807	1.1
161.04550	0.7
169.12363	6.0
179.05885	0.5
179.10757	0.8
197.11821	100.0
198.12172	3.6
235.08228	0.7
241.00322	0.7
253.09259	11.8
254.09648	0.5
261.35776	0.5
272.08536	0.6
433.20737	7.4
456.29608	0.5
493.17969	1.4
493.26492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09746	0.4
54.10049	0.3
57.03447	0.5
59.01379	14.7
61.98834	4.8
62.24858	0.3
69.03468	0.5
69.20985	2.6
71.01379	3.9
71.67455	0.3
73.02936	1.1
81.03463	0.4
83.01395	0.8
83.05019	0.6
84.80869	0.3
85.02946	2.8
87.00862	0.9
88.98802	0.8
89.02438	2.2
95.01417	0.4
95.14166	0.4
96.96013	1.5
97.02950	0.4
98.19771	0.3
101.02443	3.0
109.02940	0.5
113.02431	1.6
115.92092	0.4
116.92837	1.5
119.03475	0.7
121.02919	0.5
126.90520	3.6
129.01933	0.5
130.52277	0.4
135.02983	0.7
143.03497	0.5
153.09177	0.5
153.12822	1.1
161.04553	1.6
167.03537	0.5
169.12311	5.3
179.10843	0.5
191.01974	0.4
197.11819	100.0
198.12131	3.1
209.03227	0.4
221.13220	0.3
235.08269	0.6
253.09274	10.4
294.46365	0.4
316.02039	0.6
331.04639	1.3
389.07968	0.4
431.18170	0.5
433.20700	6.5
476.80759	0.4
493.10120	1.1
493.17242	0.8
493.26437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	23.2
59.01377	26.0
61.98828	4.0
64.22781	0.3
64.81411	0.4
70.52223	0.8
70.52570	0.5
71.01376	5.3
72.99294	0.4
73.02965	2.3
79.95736	3.3
80.96513	0.8
83.01394	1.6
85.02959	3.0
87.00883	0.9
88.98808	0.4
89.02429	1.1
95.95213	0.4
96.96009	55.8
98.20663	0.4
99.00830	0.5
99.04514	20.2
100.04874	0.4
101.02438	11.8
107.05027	29.3
108.05399	0.4
113.02474	2.8
114.65060	0.4
119.03471	0.6
119.93791	0.4
121.82229	0.4
123.04489	0.5
123.89375	0.4
125.02457	2.6
126.90543	0.4
128.53825	0.4
135.04526	0.4
137.09779	0.7
141.01662	1.2
143.03503	0.8
149.04485	0.5
152.98662	0.8
161.04559	13.4
164.98587	1.2
183.13875	0.7
222.65796	0.4
222.99199	0.7
227.12901	1.1
236.62704	0.4
241.00204	3.8
257.98856	0.4
275.08624	0.5
283.01505	0.6
297.05731	0.4
313.83139	0.4
323.04361	1.5
325.02249	0.6
331.05008	2.0
349.05945	5.1
373.22427	0.9
385.04761	1.2
391.06686	0.4
413.14673	0.6
431.10162	2.6
433.07803	1.8
493.10190	100.0
494.10522	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	493.102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01379	8.4
61.98831	5.4
69.93224	1.2
71.01382	1.3
72.47591	0.2
72.99316	0.4
73.02950	0.4
74.02465	0.7
79.95720	0.3
83.18340	0.3
85.02949	1.6
88.98810	0.6
89.02438	0.8
96.96023	2.6
97.02944	0.6
98.20412	0.6
98.95580	1.4
99.00829	0.6
99.04531	1.2
99.92582	12.9
100.92617	0.5
100.93385	0.9
101.02448	1.3
113.02415	0.6
114.94940	1.8
115.91235	0.4
115.92075	11.2
116.92857	100.0
117.92874	3.4
119.03491	0.3
125.02469	0.6
138.98547	0.4
139.36588	0.3
139.95676	0.7
140.96553	0.3
141.93631	0.4
151.04019	0.5
156.95975	0.8
158.93918	2.1
161.04541	1.1
182.97533	2.0
183.94624	0.7
185.95766	0.3
190.26305	0.2
196.95143	0.3
198.97090	0.3
209.96120	0.2
226.96526	11.4
227.96851	0.8
255.60912	0.3
298.98752	0.4
310.98727	0.4
328.02652	0.3
331.04926	0.7
332.05630	0.3
373.22260	1.1
391.23132	0.5
433.24365	0.6
433.47211	0.3
457.08051	4.2
458.08395	0.6
475.09546	0.4
492.24445	0.8
493.10168	26.1
493.25189	0.9
494.10370	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	493.102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09051	0.5
57.03447	23.9
58.03787	0.6
59.01380	10.0
70.27234	1.3
71.01384	2.9
73.02949	1.9
79.95731	3.7
80.96520	0.9
83.01359	0.5
85.02943	1.9
86.00063	0.5
87.00863	0.5
89.02425	0.7
93.83895	0.5
96.96009	30.5
99.00907	0.5
99.04517	19.8
100.04830	0.7
101.02435	9.9
113.02434	2.0
125.02439	1.7
161.03259	1.0
161.04546	13.6
164.98582	0.8
180.98163	0.7
185.08029	0.5
269.10297	4.8
331.04959	2.4
340.40256	0.5
349.06015	9.9
350.06360	0.7
381.13931	0.5
391.07086	0.8
413.14349	0.7
431.10022	3.5
433.08112	1.9
493.10193	100.0
494.10431	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	493.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03447	16.8
59.01377	16.5
61.98833	6.1
62.07645	0.9
67.01897	1.0
71.01385	9.6
71.52068	1.0
71.53017	0.7
72.99310	4.6
73.02944	2.6
75.00878	2.7
79.95762	1.4
83.01377	4.9
84.02177	1.9
85.02947	100.0
86.03307	1.4
87.00880	2.4
88.98809	3.2
89.00344	1.4
89.02460	3.0
96.96016	7.3
99.00878	1.2
99.04530	2.4
101.02440	5.0
103.00389	1.1
105.01965	1.5
106.00607	1.1
109.02966	1.0
111.00884	13.4
113.02444	2.5
116.92854	4.7
117.92934	1.0
118.92696	1.4
118.94205	1.4
119.03510	1.1
121.02950	37.5
122.03280	1.0
123.00895	1.8
125.02402	0.8
129.01942	62.5
130.02306	1.1
131.05022	1.3
133.02945	1.3
133.06578	3.5
134.03792	1.0
135.04541	2.0
136.99144	0.8
139.00366	1.3
147.02969	5.0
151.00333	1.0
151.03931	0.8
153.05553	12.3
159.04590	1.0
160.95248	3.7
161.02492	0.7
161.04625	1.9
161.06097	4.8
173.00903	13.6
182.02177	2.5
189.05589	7.4
191.01970	6.2
193.04948	1.2
197.04555	36.7
198.04832	2.1
250.83134	0.9
251.05591	12.9
265.07153	4.2
287.01917	1.0
295.04565	3.4
313.05679	1.6
315.01462	2.8
327.07291	4.2
331.03503	0.9
349.05917	1.9
371.06189	4.0
433.24316	3.5
492.30966	1.3
493.08923	9.7
493.19269	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	493.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66595	0.8
55.01873	3.2
55.90624	0.9
57.03450	14.6
59.01369	4.0
61.98827	1.3
68.99815	0.9
70.08587	3.2
71.01376	5.3
72.99311	4.4
73.02927	1.2
75.00864	1.3
78.01129	0.9
83.01401	6.4
84.02183	2.6
85.02948	100.0
86.03293	1.6
88.98804	2.3
89.02436	1.1
91.48327	0.8
101.02439	2.9
106.00611	1.2
111.00877	14.0
120.26790	0.9
121.02956	38.3
122.03278	0.9
123.00906	1.1
129.01942	55.1
130.02275	1.4
131.05029	1.2
133.06552	5.4
135.04529	2.0
138.03212	2.1
139.00363	1.8
145.01424	1.0
145.02982	1.0
147.02986	4.7
153.05574	13.9
161.06061	4.4
166.99875	1.4
173.00911	14.2
182.02254	1.5
189.05571	6.9
191.02008	4.1
197.04530	34.9
198.04953	1.2
251.05595	14.7
265.07230	4.4
278.06589	1.0
295.04620	2.1
313.05637	2.5
327.07083	3.3
367.19495	0.9
371.06171	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	492.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00351	0.4
54.36960	0.4
58.00613	0.4
59.01377	8.7
61.98822	1.7
63.96444	0.3
68.01400	0.5
69.03471	0.4
69.18107	0.4
71.01379	4.7
71.51821	0.6
79.95732	2.4
85.02943	2.6
87.00863	0.9
88.98808	1.4
89.02444	5.4
91.67779	0.4
95.95235	1.1
96.96017	7.9
99.04514	0.6
101.02433	1.8
108.95658	0.4
113.02445	1.1
123.03264	7.6
125.02457	1.6
129.01845	0.5
131.03500	2.3
138.05612	100.0
139.05911	2.2
143.03362	0.4
149.04575	3.1
152.07239	0.3
156.45068	0.4
161.04565	1.1
180.06685	1.5
189.54124	0.4
191.01927	0.6
191.05655	1.0
209.03056	0.8
279.15936	0.4
293.08759	4.5
300.11063	0.5
313.22668	0.3
401.03836	1.2
432.15073	38.2
433.15314	2.2
473.76212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94750	0.9
56.03672	0.8
57.03439	3.1
59.01379	69.4
59.83140	0.9
61.98830	27.9
71.01381	9.7
71.05010	1.3
71.51794	1.0
71.52272	1.0
73.02953	5.3
83.01385	2.2
85.02946	6.1
86.06292	0.8
87.04516	46.1
88.98824	1.3
89.02452	2.6
95.01405	1.0
96.05840	0.9
96.96010	8.6
99.04504	1.9
101.02440	4.6
113.02435	3.5
123.04521	2.5
126.90534	1.0
137.09677	0.9
149.04651	1.1
161.04533	2.6
163.22273	1.0
164.01076	0.9
196.61990	1.0
197.04442	1.5
207.13820	1.9
207.17509	3.1
249.14839	1.6
269.17572	100.0
270.17838	5.1
293.17599	4.6
311.09503	2.1
329.10663	9.3
330.11029	1.0
350.40579	1.0
362.53036	1.1
431.22870	1.4
491.15891	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	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13967	1.3
50.75004	1.2
57.03444	3.0
59.01381	69.3
61.98834	13.8
69.03458	1.4
69.28947	11.7
71.01382	48.0
72.99313	5.4
73.02941	30.1
75.00877	2.9
78.32129	1.3
79.95708	1.7
83.01392	10.2
85.02939	11.5
85.60233	1.4
87.00885	2.9
88.98824	1.3
89.02451	9.3
93.99459	1.3
95.01376	1.7
95.95201	1.5
96.96013	22.5
99.00873	3.2
99.04512	2.0
99.92627	1.2
101.02444	28.3
109.02940	1.7
113.02425	8.8
116.92849	1.7
119.03506	5.0
121.02911	1.2
125.02463	2.0
130.99815	2.2
131.03474	1.7
136.99098	1.4
143.03520	2.8
143.07144	5.0
149.04555	1.8
152.69350	1.3
153.12854	3.3
161.04567	4.4
206.71262	1.3
225.15089	2.3
241.00145	3.0
261.33453	1.7
329.23532	1.5
345.06238	1.5
377.53085	1.3
387.20245	4.1
405.21179	8.0
447.22342	100.0
448.22684	7.7
491.15829	42.8
491.27515	7.8
492.16473	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
57.27810	0.4
59.01380	11.3
61.98824	6.1
70.84241	0.8
71.01376	2.5
73.02945	1.9
75.00888	0.4
79.95729	3.0
80.18772	0.4
83.01389	0.9
83.80855	0.4
85.02937	2.7
88.98788	1.0
89.02451	1.1
95.95220	5.2
96.96009	53.4
98.20074	0.5
99.04488	0.7
101.02452	2.8
113.02451	1.2
116.92850	0.7
119.03525	0.4
121.02930	0.5
125.02441	0.7
126.90472	0.6
157.84248	0.4
161.02426	0.6
161.04575	0.8
165.02299	0.5
167.10757	1.1
175.14941	0.5
191.02010	0.4
195.10172	0.8
219.06912	1.1
219.13928	0.6
231.06934	3.7
249.14943	19.8
250.15179	1.7
285.11664	4.3
298.15918	0.4
311.09555	3.4
312.99820	0.7
314.00714	0.6
329.10617	100.0
330.10925	6.4
331.24881	0.4
347.17148	3.5
389.18185	1.9
491.15881	84.8
492.16190	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	491.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20614	0.5
54.71280	0.6
57.03445	1.5
58.00576	0.8
59.01381	34.5
60.01706	0.6
61.98826	4.4
69.03435	0.6
71.01384	24.8
71.05031	1.0
72.99291	2.0
73.02561	0.9
73.02947	15.2
75.00861	1.6
79.95737	2.9
80.96530	1.1
83.01386	5.0
85.02949	5.5
86.07104	0.5
87.00862	1.7
89.02449	6.1
90.67882	0.5
95.01385	0.8
95.95230	2.4
96.96012	53.2
98.19867	1.5
98.20582	2.6
99.00867	1.8
99.04513	0.6
101.02444	15.7
102.65719	0.6
113.02458	6.0
116.92866	0.6
119.03484	1.9
125.02384	0.7
131.03477	1.0
138.97061	1.3
143.03540	1.0
143.07144	3.4
149.04457	0.7
150.97124	1.1
153.12859	1.9
161.04570	2.1
177.04099	3.5
194.99367	0.6
201.11462	0.8
225.15091	0.9
231.13853	0.7
241.00226	2.8
249.14937	1.9
256.99869	2.9
269.17401	0.8
329.22928	0.6
387.20334	1.6
405.21390	4.1
411.20355	1.0
447.22339	45.3
448.22647	2.1
491.15869	100.0
492.16183	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	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.6
59.01118	0.6
59.01384	9.7
61.98827	3.7
68.99555	1.8
70.16252	2.1
71.01390	3.0
72.99289	0.6
73.02936	0.6
79.95772	0.7
80.96516	0.8
83.01399	0.6
85.02937	2.5
87.00889	0.6
88.98775	0.7
89.02435	2.5
96.95383	1.1
96.96014	22.4
98.20506	0.6
99.00891	0.6
99.04519	0.6
101.02432	1.8
103.00365	1.7
112.98539	1.8
113.02400	0.9
113.73120	0.5
114.93415	3.7
115.03954	0.6
119.03481	1.0
125.02464	1.2
126.73708	0.5
130.97130	0.6
133.02910	0.6
134.62244	0.5
143.03490	0.5
148.05305	1.7
149.02437	3.0
152.98596	1.1
153.01886	1.5
163.07663	1.4
167.10785	0.6
175.00377	5.4
202.02711	1.4
209.03009	0.5
212.55530	0.6
214.02698	1.5
230.02222	2.9
241.00279	4.3
242.02136	3.3
255.02774	0.6
257.00983	0.8
258.01666	8.3
269.00906	0.9
270.01718	4.3
271.02170	0.8
283.01889	0.6
285.00693	0.6
285.04019	1.9
286.01190	20.1
287.01602	0.8
295.99716	0.8
297.00345	1.3
301.03577	5.3
312.99820	0.8
314.00699	14.5
323.09964	0.7
329.03012	53.8
329.23111	0.7
330.03403	2.5
344.05344	32.8
345.05658	1.7
359.07693	100.0
360.07999	7.0
405.08594	7.7
406.09357	0.6
447.09628	5.2
491.08612	3.5
491.15845	3.4
491.28720	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	491.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.03204	1.1
57.03449	13.4
59.01377	7.8
61.98825	2.1
68.99817	1.6
71.01376	4.2
71.51816	1.6
72.32146	1.1
72.99284	1.9
73.35339	1.1
75.00856	1.4
78.95907	2.1
79.95734	1.1
83.01379	2.0
84.02175	2.5
85.02950	100.0
87.00862	1.5
88.98830	7.3
89.02440	2.0
91.88510	1.1
93.03461	4.8
96.96010	8.1
97.77885	1.0
98.95586	1.0
99.00913	1.0
99.04488	1.0
101.02438	2.7
103.00372	1.2
103.04076	1.1
111.00854	4.5
115.92062	1.9
116.92847	2.3
120.01216	1.6
121.02931	1.4
128.03558	1.7
129.01952	12.6
133.01433	1.7
135.04465	3.3
137.02405	7.2
138.05595	3.7
147.03001	18.9
173.00868	4.1
177.35115	1.0
191.01978	39.7
192.02289	1.2
209.03020	35.6
281.69794	1.0
311.04102	3.1
329.05103	49.2
329.09073	2.4
330.05426	2.5
373.35007	1.0
391.96753	1.0
429.08255	1.1
432.15051	1.8
465.46216	1.1
491.12811	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	490.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45792	0.6
57.03448	20.9
58.96192	0.7
59.01379	19.4
61.98829	100.0
69.37621	3.7
69.38048	1.4
71.01382	3.2
73.02943	1.4
83.01373	0.8
85.02942	2.1
88.98974	0.6
89.02460	1.1
96.96018	0.9
99.00859	0.9
99.04517	22.5
101.02446	7.8
113.02464	2.5
114.97069	0.7
115.17924	0.5
125.02444	7.5
143.03525	1.0
161.04559	2.8
190.08151	0.7
283.11908	4.6
325.12918	3.1
365.16110	1.2
387.52502	0.6
415.41907	0.8
421.02676	0.7
427.16028	9.9
428.16110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59548	0.4
57.03448	21.8
59.01378	18.6
61.98827	100.0
69.16343	3.3
71.01383	5.9
73.02943	4.8
73.06248	0.4
78.90951	0.4
79.05516	0.5
79.65930	0.4
81.32399	0.4
83.01377	1.9
85.02960	1.6
87.00876	0.5
89.02443	4.4
99.04517	25.6
101.02439	12.3
113.02441	2.6
113.06073	0.6
119.03481	2.6
123.04534	2.5
125.02434	9.3
126.02720	0.4
131.03476	0.5
141.05632	0.8
143.03493	1.9
149.04573	1.7
152.62221	0.5
161.04527	3.6
179.05629	1.2
203.05612	0.7
221.06747	0.9
325.13028	1.1
365.16281	0.4
427.16043	11.1
427.21408	0.7
428.16348	0.6
435.90588	0.4
491.19537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90580	0.5
52.33920	0.4
55.01899	1.0
57.03450	7.0
57.40385	0.5
59.01371	5.2
68.99792	0.7
70.21022	1.3
70.21442	0.9
71.01382	8.0
72.99306	2.2
75.00867	2.5
75.01636	0.5
78.95908	0.8
79.95743	0.5
83.01385	1.2
84.02164	1.7
85.02949	61.7
87.00864	1.2
87.92557	1.2
88.83652	0.5
88.98828	0.9
89.02444	3.0
96.96008	29.3
98.20303	1.1
99.48069	0.5
103.00378	1.6
103.92018	1.8
104.92776	0.5
111.00858	2.9
115.00372	1.3
118.94181	1.5
129.01939	6.0
133.01425	5.5
135.04507	3.5
136.94051	0.6
141.01671	1.5
147.02983	5.6
161.02388	0.6
168.88884	0.9
173.00908	1.6
178.96341	1.0
179.03479	2.6
183.60928	0.5
191.01973	30.8
192.02376	0.7
204.97893	0.7
209.03020	100.0
209.89308	1.0
210.03383	2.1
213.80255	0.6
231.01221	3.1
248.96832	1.6
266.97913	2.1
292.95825	0.6
293.41296	0.5
310.96887	7.2
328.97958	16.1
353.05072	1.8
371.06198	6.0
392.98764	0.5
393.04279	2.3
473.00052	1.4
491.01074	3.7
491.12216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20410	1.2
57.03450	29.4
59.01379	32.9
60.01707	1.6
60.14033	1.0
61.98829	100.0
64.96181	1.0
69.59168	7.0
70.02339	1.0
71.01378	11.3
71.04994	1.2
72.99318	1.3
73.02950	8.4
75.00866	1.8
83.01381	3.5
85.02953	11.5
86.02466	1.9
87.00886	1.6
88.98826	1.7
89.02444	3.5
96.96004	14.9
96.96945	1.6
99.04519	26.2
101.02438	15.6
103.00383	2.4
104.03522	1.4
113.02426	3.8
121.02956	68.0
122.03307	1.6
123.04530	6.7
125.02454	20.1
135.04486	4.7
140.52792	1.2
141.05585	1.3
142.01234	1.7
143.03476	3.5
155.15416	1.2
161.02354	1.5
161.04546	3.8
163.03993	2.6
175.38330	1.1
191.01875	1.3
193.05006	2.2
203.05569	1.6
209.03134	1.4
227.03473	1.4
239.03427	1.1
255.02922	4.4
256.03558	1.5
269.13922	1.4
273.20715	3.2
283.08328	2.8
284.03268	2.8
285.03793	3.7
286.04248	1.5
300.02628	1.2
305.08771	8.7
315.04922	1.6
427.12335	13.8
446.31033	2.1
461.18127	1.3
473.17819	1.4
490.15567	1.8
490.30377	22.7
491.08261	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15196	0.3
54.64804	0.3
57.03447	1.1
59.01379	100.0
60.01730	0.4
61.98832	3.2
70.66605	0.9
71.01383	4.7
72.99314	0.6
73.02943	1.7
75.00867	0.4
83.01410	1.4
84.47676	0.4
85.02956	4.0
87.00883	0.9
89.02441	2.8
93.03481	0.6
94.98126	0.5
95.01405	0.6
96.96024	0.4
98.72661	0.3
101.02435	3.7
111.00903	0.4
111.99558	0.3
113.02454	2.5
116.92879	0.8
117.92847	0.3
119.03512	0.9
125.02593	0.4
129.01959	1.2
134.03816	0.5
137.02467	1.2
137.09741	0.4
141.98544	0.3
143.03522	0.5
145.02968	0.7
161.04559	1.0
167.95741	0.4
173.00995	0.4
179.05666	0.7
191.02049	0.6
193.05309	0.4
195.59979	0.4
225.14954	2.2
245.56021	0.3
253.14520	1.2
255.03079	0.4
267.15933	0.5
284.03238	2.8
285.03998	3.2
294.74094	0.4
315.27771	0.4
341.06473	0.4
369.19177	4.2
387.20248	6.5
388.20554	0.7
429.21295	8.6
430.21655	0.5
489.10394	3.3
489.23737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01382	100.0
61.98829	13.7
64.47969	0.9
64.48344	0.8
69.49271	5.7
71.01382	19.2
73.02933	7.7
75.00900	1.3
81.97095	0.9
83.01383	3.2
85.02953	12.5
87.00881	1.8
87.04513	1.9
88.98786	0.9
89.02442	6.9
94.25043	0.8
95.01408	1.3
96.96001	2.6
97.02973	0.9
99.00897	1.9
99.04500	1.8
101.02447	14.7
109.02953	1.5
113.02448	8.1
119.03493	2.4
125.02418	2.4
126.90434	1.4
129.01941	2.4
135.04491	1.2
137.09752	5.4
143.03557	2.2
149.04512	1.5
151.11273	3.1
153.12801	2.9
161.04576	4.7
170.05769	1.0
189.13052	0.9
191.02016	1.4
204.61052	1.0
225.14934	13.4
247.06953	1.0
249.14888	1.0
255.02985	3.0
267.16003	6.0
271.02573	1.2
284.03119	1.8
285.03967	2.7
288.45816	1.0
300.02640	1.9
351.18063	1.5
369.19180	20.4
370.19418	1.6
387.20261	31.0
388.20609	1.6
429.21228	22.3
430.21451	1.5
443.70447	1.2
489.09961	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	489.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.5
59.01377	9.2
61.98827	1.7
71.01381	3.9
71.51102	0.8
72.00916	0.7
73.02943	1.5
75.00871	81.1
76.01208	0.6
78.95901	1.4
79.95744	0.8
83.01398	0.7
85.02943	6.4
87.00891	1.7
88.98801	4.6
89.02431	2.2
96.96016	7.3
96.96951	1.3
99.04508	3.8
101.02434	5.3
103.00373	100.0
103.04012	4.5
104.00652	0.8
104.03557	1.1
111.00887	1.1
113.02455	1.1
117.29214	0.6
125.02444	0.9
129.01947	1.4
131.03458	1.2
135.02869	0.7
140.07971	0.7
149.04527	1.4
152.08588	0.9
153.09221	1.2
161.02472	0.6
161.04565	2.9
168.76468	0.7
173.00896	0.8
191.01892	0.8
227.03493	1.9
255.03062	3.1
265.12701	0.7
267.16061	0.9
284.03238	3.7
285.04019	4.1
289.03799	0.7
345.08438	0.9
385.18781	1.4
489.12689	15.3
489.19577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	27.8
59.01378	12.8
71.01374	3.5
73.02941	2.0
76.16656	0.4
77.71037	0.4
79.95747	3.1
80.58341	0.4
80.96529	1.5
83.01412	0.7
85.02949	3.8
89.02452	0.7
96.96011	29.1
98.20596	1.2
98.95608	0.5
99.00899	1.2
99.04514	22.2
101.02448	11.2
113.02459	1.1
120.01277	0.4
121.02978	0.5
121.81703	0.4
125.02442	1.7
161.03262	0.9
161.04547	13.8
164.98593	1.1
242.64403	0.5
255.95067	0.5
265.12830	5.8
272.29666	0.6
285.03848	0.7
327.07541	3.8
345.08533	11.1
387.09641	0.6
401.16913	0.5
403.43912	0.4
409.17249	0.7
427.12778	4.8
429.10843	2.6
441.62540	0.6
489.12808	100.0
490.13272	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03657	1.2
57.03450	39.5
59.01377	28.5
60.99306	1.6
61.98831	100.0
71.01384	11.7
71.51563	1.5
73.02931	4.1
75.00871	16.6
79.95724	3.5
80.91663	2.7
80.96471	1.4
83.01381	2.8
85.02944	13.2
87.00873	3.7
88.98799	11.4
89.02434	2.9
95.42677	1.2
96.96011	34.2
99.00836	1.4
99.04519	45.6
101.02444	19.1
101.95654	1.2
103.00368	21.7
111.00882	2.4
113.02399	1.9
113.06047	1.5
115.00345	2.8
115.92039	1.1
119.10985	1.3
125.02464	19.9
129.01933	3.9
133.51222	1.1
143.03474	2.7
145.02962	1.8
147.03032	1.6
161.02483	2.9
161.04558	21.8
164.98668	1.1
175.02467	4.3
191.02000	3.1
209.03076	1.9
216.59818	1.3
223.04521	1.6
237.17598	1.1
241.00075	1.6
255.41862	1.2
265.12827	3.9
321.08176	1.4
327.07626	2.1
345.08801	5.9
426.12564	13.6
427.12683	2.3
429.21393	1.4
466.75281	1.3
489.12729	64.1
490.13297	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32428	0.3
54.18896	0.4
57.03439	0.4
59.01378	100.0
60.01706	0.5
61.98822	1.1
62.37819	0.3
69.22970	1.8
69.23377	0.8
71.01392	2.9
73.02943	2.8
75.00887	0.3
77.32157	0.3
83.01395	0.8
85.02938	1.5
87.00875	0.5
89.02448	1.1
96.96024	1.1
96.96980	0.3
98.20273	1.4
101.02440	3.3
113.02469	1.5
113.03277	0.2
114.27270	0.3
115.00376	0.4
119.03454	0.6
121.01645	0.3
121.78772	0.3
131.03484	0.5
132.53290	0.3
149.04402	0.3
161.04559	1.1
187.11284	0.6
205.12401	1.0
217.44022	0.3
233.11874	0.6
233.96460	0.3
259.13260	0.4
277.14404	0.4
289.59836	0.3
337.02393	0.4
390.07971	0.3
427.20145	0.7
487.21991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	25.5
58.18847	0.4
59.01379	11.5
61.98843	2.3
67.12962	0.4
71.01374	2.3
71.29221	0.7
73.02937	1.8
74.16344	0.5
78.90615	0.5
79.95743	4.0
80.96510	1.0
81.03406	0.5
83.01396	0.7
85.02935	2.0
89.02464	0.5
96.96011	29.7
99.00886	0.5
99.04517	18.1
101.01799	0.8
101.02445	11.8
109.04374	0.4
113.02425	1.6
125.02437	1.4
125.03328	0.4
143.03491	0.5
159.02835	0.5
161.04567	11.0
164.98602	1.4
180.98120	0.4
263.14981	6.0
325.09641	3.4
329.23389	0.4
343.10654	9.8
344.11127	0.6
407.19220	1.1
425.14914	3.6
427.12778	1.7
487.14883	100.0
488.15186	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	487.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	8.0
59.01377	9.2
61.98839	0.8
65.00330	1.9
68.99805	2.0
71.01384	4.0
71.51854	0.8
73.02959	1.9
75.00874	1.1
79.79275	0.7
79.95739	2.0
83.01389	1.6
85.02940	8.6
87.00870	1.6
88.60969	0.6
89.02424	0.9
91.01894	9.1
95.01392	1.9
96.96012	26.7
98.95637	0.8
99.00902	3.2
99.04523	6.4
99.92596	1.4
101.02454	4.4
108.02176	2.3
111.00877	3.1
112.98842	1.0
113.02463	4.4
113.99590	6.1
115.00389	4.0
115.92091	2.2
116.92858	1.3
119.03537	0.7
119.05045	2.7
123.00834	0.8
123.04527	40.5
124.01608	0.8
124.04816	1.0
125.02449	1.9
127.00388	1.8
129.01952	1.8
137.02443	0.8
139.00418	1.8
145.03014	0.9
152.01140	3.6
157.01451	2.7
161.04579	3.5
163.04008	2.0
167.03496	94.1
168.03841	2.3
169.01471	0.7
174.01651	4.0
175.02473	0.7
191.02003	1.3
209.02942	0.8
263.11331	1.4
267.06451	0.7
277.05630	13.3
287.05685	0.8
319.06677	0.8
325.05814	1.1
337.07764	40.1
338.08102	1.9
343.07080	2.5
377.21793	0.7
419.30072	0.7
425.00516	1.4
425.11099	1.0
487.10950	100.0
488.11102	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	487.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	24.1
58.03777	0.7
59.01110	0.9
59.01382	13.0
61.98808	1.9
63.53243	0.6
65.81736	0.7
71.01374	6.6
72.99281	1.2
73.02946	4.8
75.00837	0.7
75.29987	0.7
79.05516	1.0
79.95731	4.5
80.96506	1.6
83.01360	2.7
84.42762	0.6
85.02962	8.1
87.00832	1.3
88.98802	1.4
89.02446	3.1
90.98547	0.9
93.03425	1.1
96.96012	48.3
99.00874	0.9
99.04520	21.7
99.92577	1.0
101.01813	1.1
101.02442	13.8
103.00431	0.7
112.98795	1.3
113.02428	2.0
115.00335	0.8
115.92067	1.3
116.92841	0.9
119.03573	1.2
119.05037	9.7
121.02979	0.8
123.04516	2.7
125.02438	2.9
128.03574	0.9
129.01869	1.2
130.27269	0.8
133.01402	0.8
134.03755	0.6
135.04526	0.7
141.05554	1.3
143.03583	0.8
145.02943	1.3
147.02972	0.9
161.02443	0.7
161.04541	13.2
163.04005	7.6
164.98598	1.3
179.05598	1.0
188.93503	0.7
191.01968	3.6
213.96967	0.7
224.47005	0.7
241.00191	1.5
287.05457	0.7
323.09918	0.8
325.05978	3.1
343.06979	8.8
351.62759	0.7
385.08313	0.8
407.15338	1.1
425.11270	3.8
427.09039	1.5
487.11206	100.0
488.11349	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	485.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47316	0.6
52.84750	0.6
54.71350	0.7
55.39954	0.6
57.03445	5.1
59.01383	4.5
59.02356	0.6
60.99306	14.9
61.98831	2.5
62.42215	0.6
62.64404	0.6
71.01375	2.9
71.51024	1.0
72.99313	0.7
78.95869	0.8
79.95731	0.7
83.01375	1.0
85.02943	12.3
88.98805	100.0
89.02442	1.7
89.99175	1.0
96.96014	8.1
98.95597	3.5
99.04508	2.8
101.02448	2.5
111.00911	0.9
113.02443	1.1
115.92088	2.3
121.02973	0.8
125.02426	0.9
128.03490	1.1
129.01926	3.0
147.03008	1.5
177.01936	1.0
191.01915	4.9
197.04631	0.8
209.02962	0.9
216.96024	2.4
221.58569	0.7
226.07130	0.8
244.95488	1.8
293.16141	0.8
395.15564	1.3
423.00317	3.9
425.20255	2.1
467.46124	0.7
485.09720	1.3
491.00018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17645	0.2
59.01382	1.8
61.98831	100.0
71.01423	0.2
71.28980	0.4
85.02962	0.6
86.03266	0.2
88.76415	0.2
89.02390	0.2
96.96028	0.6
116.92859	1.3
117.92881	0.5
118.58484	0.2
133.60156	0.2
165.90121	0.2
177.94554	0.2
288.06061	0.3
426.18100	0.8
468.70596	0.3
484.67636	0.2
487.30704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03200	1.8
57.03450	24.2
59.01111	1.9
59.01380	27.4
61.98830	100.0
71.01382	3.9
71.52013	1.5
73.02934	2.3
85.02948	12.1
89.02470	1.9
95.01350	1.4
96.96023	6.7
97.02960	1.2
99.00797	1.3
99.04520	27.7
101.02440	11.1
113.02440	2.1
125.02425	7.7
129.01949	1.9
161.04550	3.4
179.03398	1.8
191.01988	1.6
197.98083	1.3
247.06314	1.5
259.71509	1.3
275.94406	1.2
279.14502	7.8
321.15475	4.6
361.18890	1.4
423.18689	18.5
487.11008	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	485.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53297	0.4
56.67140	0.5
57.03448	30.8
58.03760	0.6
59.01377	14.2
61.98839	2.4
69.54890	1.7
69.55325	1.5
71.01387	3.9
73.02941	2.0
78.11256	0.4
79.95748	4.7
80.96521	1.0
81.03444	1.9
83.01392	1.0
85.02950	4.7
87.00846	0.9
87.03449	0.4
89.02442	4.5
95.95233	0.9
96.96011	35.6
98.05167	0.5
99.04520	19.8
101.02441	10.4
102.10125	0.6
107.30545	0.5
113.02438	1.5
113.06080	1.5
119.03487	1.1
123.04491	0.5
125.02423	1.3
128.80504	0.5
129.02022	0.4
133.16907	0.4
138.57104	0.4
143.03487	1.2
152.98688	0.6
161.04559	11.5
164.98618	1.1
179.05635	0.5
180.98207	0.7
191.01953	1.4
230.78256	0.4
309.06781	0.5
323.07996	2.7
327.07437	1.0
341.09106	9.5
383.10129	0.5
423.13248	3.8
425.11258	1.6
485.13321	100.0
486.13531	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	485.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42622	0.9
55.01870	1.8
57.03442	6.9
59.01387	6.2
61.98833	10.9
69.20883	3.6
69.21309	5.6
70.68568	1.1
71.01393	6.0
72.99309	2.9
73.02932	1.8
76.18675	1.0
77.41685	1.1
79.95725	1.7
81.95274	0.9
82.75578	0.9
83.01374	2.5
85.02952	38.1
86.03279	1.4
87.00871	1.6
89.02425	1.8
96.96014	28.4
98.95584	27.0
98.96413	5.4
99.00872	2.0
99.92586	41.7
100.92680	1.6
100.93356	6.0
101.02429	3.3
111.00868	2.4
113.02407	1.1
114.94979	0.9
115.17789	1.1
115.92076	64.0
116.92097	2.0
116.92854	12.3
121.02921	4.1
125.02433	2.1
129.01956	7.0
132.02180	5.9
133.02971	6.9
135.04512	2.6
142.94438	5.9
147.03003	5.8
150.03224	1.7
161.02420	11.7
161.07132	1.5
165.01869	2.4
173.00871	1.1
179.03404	1.8
182.02254	1.3
189.06757	2.3
191.01950	12.7
197.04530	3.8
204.95976	2.3
209.03004	2.7
215.95178	15.5
216.95964	74.0
217.96521	8.8
218.97546	7.7
219.94667	3.3
220.95540	5.7
223.04463	1.5
232.95346	3.0
234.97046	3.4
242.95853	4.8
243.94675	3.8
244.95454	63.3
245.95686	4.7
246.96962	1.8
248.73918	1.0
256.93826	2.8
258.96921	1.3
260.95010	1.6
261.95651	2.7
262.96478	11.4
273.95786	1.6
276.94464	1.1
276.97952	1.9
286.96527	2.7
290.99750	1.0
302.95990	3.7
303.96695	1.7
304.97845	1.1
306.95554	1.9
314.95908	1.7
331.96399	1.4
334.98630	1.6
339.07245	1.5
362.98148	18.9
364.39951	1.1
378.97830	5.0
404.99326	4.8
416.95404	3.3
423.00238	100.0
424.00409	8.8
448.98157	4.4
454.99356	1.2
470.21191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25087	2.7
55.01878	3.1
57.03432	3.0
59.01368	4.2
70.57385	5.8
71.01377	11.0
72.99308	34.1
83.01381	8.0
85.02952	17.3
96.96012	100.0
98.95587	99.8
98.96442	17.4
99.00857	15.3
99.92585	79.4
100.92641	4.4
100.93324	6.6
101.02428	3.7
113.48978	3.1
115.92075	71.5
116.92108	5.1
116.92857	36.4
130.94373	4.0
132.02142	4.4
133.02934	3.6
134.03752	9.5
135.04520	11.9
138.60185	2.9
161.02440	4.3
164.89468	3.9
175.04073	3.4
179.03529	6.5
184.95424	3.8
191.01918	4.2
198.97003	4.9
204.92984	2.5
210.93440	3.1
215.95203	9.5
216.95940	34.4
217.96712	8.4
218.97522	7.4
223.04541	6.9
224.04605	3.0
242.95978	75.9
244.95464	43.1
245.95560	3.6
246.96976	7.0
261.95804	6.6
262.96533	12.3
276.98053	27.2
290.96024	22.0
291.96478	5.1
297.83679	3.2
308.97052	6.1
404.99298	26.9
423.00284	13.3
448.98282	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	484.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08894	0.1
52.15602	0.1
57.03454	0.3
59.01375	0.7
60.01686	0.1
61.98830	100.0
62.29550	0.1
62.98524	0.1
65.49649	0.1
69.50969	0.3
69.51381	0.4
71.01385	0.2
79.98608	0.1
85.02962	0.4
89.02443	0.2
96.96049	0.2
98.20506	0.3
99.00915	0.1
101.02468	0.2
144.55138	0.1
408.13620	0.1
422.20667	0.2
423.21631	0.1
424.21701	0.5
484.19101	0.2
485.13382	0.4
508.22391	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	484.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.01815	0.3
61.98830	100.0
63.60267	0.3
71.01389	0.5
75.00874	2.8
85.02948	1.0
89.02485	0.3
96.93294	0.2
101.02490	0.4
116.47713	0.2
116.92870	0.4
142.44562	0.3
145.77713	0.2
191.01852	0.3
424.22052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45682	1.0
59.01384	1.8
59.67077	0.8
70.33057	0.8
71.01375	16.6
71.50465	1.1
72.99302	5.1
78.95910	1.1
84.02174	1.6
85.02956	7.0
86.00089	2.0
86.03287	1.1
87.00849	1.2
87.92529	38.4
88.98791	3.2
89.02442	1.0
90.94855	1.7
96.96008	7.2
97.02937	1.2
103.91336	2.0
103.92026	38.7
104.92805	32.1
105.93569	5.9
106.94373	1.4
110.97549	2.3
111.00869	1.0
114.94893	5.8
119.91530	1.1
123.94618	7.8
130.94360	6.9
133.01428	1.5
135.04553	1.0
140.96445	1.3
141.01703	1.5
142.94310	1.0
144.95886	1.2
147.03064	1.3
147.94638	1.8
156.95898	2.5
157.93102	1.0
158.93822	4.4
160.91753	1.0
168.95905	1.4
171.94640	100.0
172.95438	6.4
175.94086	2.0
184.95351	3.4
185.96147	2.5
186.96786	1.1
191.01927	2.7
192.02307	1.7
197.96172	2.6
198.96968	2.5
199.94101	2.1
200.94885	1.0
201.92043	8.5
201.95682	36.5
202.96021	1.5
209.02977	5.8
210.03378	3.3
213.06424	0.9
213.95674	2.3
214.96368	3.1
215.97339	1.8
216.98003	2.9
225.95592	3.0
227.97285	1.4
231.01111	3.4
231.96738	6.9
232.01471	1.6
233.98256	1.8
234.98969	1.2
241.95073	2.1
243.96628	1.2
249.97816	7.1
255.96791	2.6
257.98279	23.6
258.98859	2.1
271.96133	2.0
273.97800	7.0
274.98389	2.7
275.99319	1.9
287.99356	6.0
301.97009	1.4
303.98886	1.2
306.00305	6.3
321.96432	1.7
321.99860	8.6
333.99722	1.0
361.99307	2.8
378.02484	2.8
380.00537	1.6
392.00201	2.7
394.04312	1.0
396.03586	45.9
397.03973	3.2
410.01602	3.4
412.03201	10.9
427.01724	1.8
484.01514	12.5
484.07724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
57.03448	5.7
59.01386	57.6
61.98827	16.8
62.02372	1.8
62.85556	1.7
69.03455	2.5
71.01384	46.4
71.52390	3.4
73.02944	9.4
78.95910	9.8
83.01385	8.0
85.02946	21.5
87.00892	4.9
88.44955	2.0
89.02448	28.9
96.96000	4.9
99.00883	4.7
101.02445	34.7
101.03103	2.3
111.00897	2.5
113.02456	21.0
116.92902	3.0
119.03518	8.6
123.04491	2.1
125.02433	2.1
126.90497	5.3
128.32770	2.3
131.03517	9.3
134.71848	1.7
143.03522	4.4
149.04604	3.8
152.99594	6.6
159.03052	2.9
161.04529	10.8
179.05600	7.5
226.11076	1.8
291.18158	32.4
291.43399	1.9
304.34744	2.0
349.48471	1.8
423.22354	100.0
424.22684	6.8
446.33344	2.0
483.23294	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77759	0.4
70.57391	0.4
70.57742	1.3
78.95903	16.6
85.59985	0.5
85.60484	0.7
96.96965	0.9
98.20061	0.4
125.00866	0.4
129.81798	0.4
140.70119	0.4
152.99588	31.8
155.42935	0.4
171.00604	1.2
188.60446	0.4
227.03273	4.0
245.04286	0.7
255.23294	100.0
256.23587	5.4
272.60605	0.4
364.89722	0.5
366.05649	0.4
374.94339	0.4
483.27274	62.0
484.27582	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45193	1.5
59.01380	100.0
61.98826	4.1
62.57450	1.6
69.37114	13.7
85.02944	5.2
88.98794	3.5
89.02418	1.9
96.96022	6.2
96.96954	2.6
99.92622	2.2
102.09049	1.7
109.02986	3.8
121.03062	2.1
121.19488	1.7
147.21616	1.5
284.03308	1.7
285.04016	4.8
289.07120	8.7
300.42755	1.6
341.06711	2.1
423.17920	69.2
424.18390	4.0
447.09445	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	483.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
59.01380	8.7
60.99012	0.9
60.99308	13.3
61.98823	3.6
71.01381	3.1
71.51598	0.5
73.02959	0.8
83.01377	0.8
85.02955	7.2
86.03247	0.5
88.98804	100.0
89.02440	1.3
89.99149	1.0
96.96004	0.9
97.01897	0.5
99.00886	0.6
99.04529	2.7
101.02444	2.9
109.02937	0.7
111.93831	0.6
113.02462	1.2
121.02961	1.1
125.02425	1.4
129.01968	1.3
131.08665	0.5
135.04546	0.5
136.59750	0.5
141.31021	0.5
147.03006	0.5
151.00369	3.0
159.04459	0.6
161.04546	2.3
178.99869	1.0
191.02007	1.6
199.11249	1.6
216.89722	0.5
217.12326	1.8
243.02977	1.2
249.13486	0.6
255.02954	3.4
261.11285	10.0
262.11826	0.6
271.02429	5.8
272.02850	0.6
285.03976	2.8
300.02786	12.6
301.03516	8.6
335.40268	0.5
372.04626	0.5
393.17764	1.4
434.96396	0.6
447.09293	23.4
448.09784	1.9
460.32462	0.6
483.13983	0.8
486.02618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.1
59.01378	5.1
60.99303	13.1
61.98830	13.9
63.88588	0.4
68.56028	0.4
68.99560	0.6
69.36093	0.9
69.36502	2.5
71.01364	1.3
85.02922	2.1
88.98803	100.0
89.99117	0.8
90.90552	0.5
96.96006	1.4
98.83252	0.5
99.04523	3.1
101.02421	1.4
105.29707	0.4
112.98548	1.1
113.02442	0.6
125.02450	0.9
126.90494	1.4
135.04523	1.7
147.02824	0.4
158.62807	0.4
161.04411	0.4
191.01987	0.6
223.65123	0.5
249.13368	0.7
255.23323	1.4
273.34827	0.5
339.03040	1.8
369.20508	0.4
393.17755	1.6
463.77325	0.5
483.12238	0.7
501.51535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03451	14.9
59.01380	66.9
61.98829	48.2
71.01379	10.3
71.51524	1.1
72.99306	1.7
73.02955	4.0
73.45699	0.6
75.00864	0.9
78.95905	0.9
83.01385	1.2
85.02957	10.5
87.00900	1.2
88.98839	0.8
89.02437	6.1
96.96014	6.6
96.96974	0.9
99.00876	0.8
99.04517	8.2
101.02443	8.7
109.02939	0.8
111.00883	1.7
113.02406	1.5
119.03505	2.2
119.04989	0.9
121.03042	0.7
125.02460	1.6
126.90510	0.9
129.01924	2.3
143.08658	1.1
161.04538	10.7
161.05933	1.0
162.34233	0.6
163.03975	1.0
163.08754	1.6
176.05910	12.6
177.01974	5.0
177.06680	16.5
179.05574	1.3
188.05878	2.0
190.07419	0.8
191.01942	2.4
191.08255	24.9
197.04489	1.0
199.11305	3.2
202.07391	0.8
203.08292	5.5
205.06177	36.6
206.06538	1.4
209.02977	2.2
215.08267	1.5
216.05263	1.1
217.09996	1.0
217.12363	2.4
219.07736	46.2
219.11096	1.3
220.08029	1.8
227.08162	0.9
231.07790	5.7
233.09204	1.2
242.06667	0.9
243.07678	3.5
243.10194	3.7
245.09300	4.7
247.07170	1.8
257.09467	0.8
259.07239	2.9
261.08731	2.4
261.11276	2.4
273.08694	0.8
275.10571	0.8
289.07404	0.9
293.11371	2.3
303.09567	1.5
321.10895	29.5
322.11200	1.6
339.11929	100.0
340.12265	5.0
381.12991	40.5
382.13272	2.2
387.64868	0.7
397.93231	0.8
421.11047	1.3
421.16129	8.7
483.05661	1.5
483.16193	18.3
483.24463	1.2
484.17148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03928	0.2
53.69314	0.2
57.03437	0.5
59.01377	0.5
71.01379	0.4
71.47011	0.3
74.00685	1.0
79.95744	2.4
83.01389	0.3
85.02946	4.9
96.96010	100.0
97.93093	0.3
97.95930	0.3
129.01935	0.3
135.04539	0.2
136.00720	0.8
147.02991	0.3
158.92480	0.2
179.03484	0.2
191.01981	2.4
209.03036	0.7
223.04585	4.0
377.14032	0.2
385.07849	0.4
397.03180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01377	2.6
61.98815	0.6
69.49591	1.6
69.93506	0.2
71.01383	0.5
78.95902	13.9
78.97934	0.2
79.63410	0.2
79.95738	2.8
85.02932	1.5
96.96013	100.0
96.96939	25.9
97.95950	0.4
99.04527	0.3
101.02484	0.4
113.02454	0.3
113.92609	0.3
129.01878	0.2
143.58191	0.2
161.04552	0.4
173.18390	0.2
191.01884	0.4
201.52478	0.3
209.02942	0.2
217.12386	0.3
251.35562	0.2
259.03784	0.2
261.11356	0.5
267.40234	0.2
308.19977	0.2
327.11041	0.3
348.72247	0.3
461.82877	0.3
483.07932	0.7
483.15823	0.5
483.23914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
58.98149	0.2
59.01383	0.3
65.57875	0.2
70.05132	0.8
71.01394	0.4
79.95727	2.5
85.02948	4.7
85.92994	0.2
87.00871	0.3
96.96011	100.0
97.95924	0.4
100.36951	0.2
101.02453	0.7
111.00885	1.8
119.05022	0.4
126.33905	0.2
126.90500	0.6
129.01964	1.0
139.93802	0.2
147.02989	0.8
191.01944	1.4
203.08275	0.6
205.03511	2.7
209.03062	0.8
218.99829	0.3
223.04578	10.8
229.49487	0.3
303.79776	0.3
385.07788	0.5
393.01608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30426	0.6
55.01883	1.2
57.03447	6.8
58.02918	0.7
58.23348	0.6
59.01374	12.7
68.99805	1.0
69.30541	4.1
69.30949	1.3
71.01375	14.0
72.99309	15.8
75.00871	5.5
78.95903	1.9
80.38554	0.6
83.01077	3.8
84.02158	4.3
85.02946	75.0
87.00889	4.1
87.92532	4.8
88.98792	5.7
89.02450	4.9
96.96004	6.4
96.96970	0.8
98.19939	1.2
99.00864	1.4
101.02463	0.8
101.69897	0.6
103.00381	2.4
103.92027	6.3
104.92811	3.0
105.93581	1.7
109.02898	0.8
110.96941	0.9
110.97629	1.4
111.00886	3.3
115.00291	2.7
118.94228	1.0
122.75446	0.6
123.00625	1.4
123.94659	1.1
125.02217	1.0
126.90528	1.9
129.01930	3.9
131.98914	0.7
133.01422	10.1
134.03726	1.8
134.91603	1.0
135.04529	14.3
141.01692	34.2
147.02966	5.7
151.00107	3.4
154.99620	9.6
156.99077	2.0
161.02435	2.2
169.01184	1.3
170.99110	1.4
171.94643	11.2
173.00865	2.2
179.03493	15.4
185.00653	2.4
191.01968	33.7
194.99115	1.3
201.01695	2.5
201.92110	1.4
201.95660	3.7
209.03015	100.0
210.03389	1.9
212.97023	0.8
213.00165	14.9
225.95682	0.8
231.01204	62.9
231.96854	1.0
232.01543	1.5
246.98584	1.8
256.99164	2.2
257.98331	3.4
258.22446	0.7
273.97708	0.9
302.99841	1.9
320.92020	1.7
321.00662	6.2
321.99930	1.0
325.35400	0.7
371.06192	6.3
375.03299	4.7
393.04367	23.9
394.04773	1.5
396.03552	6.0
410.83789	0.7
430.32471	0.7
483.03906	2.6
484.01505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
59.01382	13.8
61.98829	3.5
62.69057	0.2
69.35358	1.6
69.35768	0.4
71.01394	0.7
73.02926	0.3
78.95906	4.9
85.02972	0.6
96.96963	0.7
99.04530	0.4
101.02431	0.4
123.04505	0.2
125.02470	0.4
126.90511	100.0
135.02721	0.3
152.99585	8.6
153.00830	0.5
159.44554	0.3
171.00557	0.5
268.10568	0.3
268.35065	0.3
283.15225	0.3
288.05243	0.3
291.18118	0.3
423.22226	0.4
483.17242	0.4
483.23557	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	483.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
59.01382	13.8
61.98829	3.5
62.69057	0.2
69.35358	1.6
69.35768	0.4
71.01394	0.7
73.02926	0.3
78.95906	4.9
85.02972	0.6
96.96963	0.7
99.04530	0.4
101.02431	0.4
123.04505	0.2
125.02470	0.4
126.90511	100.0
135.02721	0.3
152.99585	8.6
153.00830	0.5
159.44554	0.3
171.00557	0.5
268.10568	0.3
268.35065	0.3
283.15225	0.3
288.05243	0.3
291.18118	0.3
423.22226	0.4
483.17242	0.4
483.23557	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	482.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01379	3.3
61.98830	100.0
71.01391	0.7
78.95911	0.7
85.02962	1.5
96.96023	0.5
98.19866	1.1
101.02448	0.5
114.22076	0.5
116.92872	0.6
119.37895	0.4
120.16951	0.5
152.99588	1.0
161.04608	0.4
177.65849	0.4
201.25922	0.4
225.59215	0.5
254.57999	0.4
297.86548	0.4
333.19479	0.8
375.20618	1.4
479.09833	0.5
482.22791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56016	0.8
59.67072	0.8
65.10450	0.7
69.19275	7.3
78.95900	44.3
96.66272	0.8
96.96960	3.6
98.19815	1.6
99.38569	0.7
127.17854	0.7
135.74252	0.9
152.99585	63.6
171.00633	18.3
183.10968	0.7
227.03343	3.7
245.04303	100.0
246.04637	1.7
253.21719	64.5
254.22086	2.4
269.08325	0.8
276.06989	0.9
469.32776	0.9
481.25684	57.4
482.25836	3.6
503.36255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33559	0.7
56.46955	0.8
77.23827	0.7
78.95902	39.7
96.96958	2.4
152.99583	58.7
171.00627	16.1
204.33572	0.9
227.03210	2.7
236.08275	0.9
241.49272	0.9
245.04298	100.0
246.04625	2.7
247.27345	0.8
253.21710	58.7
254.22083	2.8
257.28751	0.8
283.78201	1.0
304.77594	0.8
330.39932	0.8
349.49838	0.7
376.89703	0.8
395.10132	0.7
436.61887	0.8
481.25705	53.9
482.25986	3.4
484.45187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03430	3.4
58.00586	3.7
59.01378	88.7
60.53942	1.2
61.98838	9.1
69.42602	10.2
71.01382	68.7
72.99316	7.1
73.02946	17.7
75.00874	4.6
78.95900	10.8
83.01366	6.7
85.02951	23.2
87.00882	5.8
89.02444	67.7
95.01377	3.5
97.02924	2.2
99.00892	4.0
101.02445	47.3
111.00864	4.2
113.02444	21.2
117.11662	1.2
119.03534	6.6
125.02444	4.9
131.03510	26.0
143.03482	2.8
149.04550	49.4
152.99615	12.5
159.02924	1.5
161.04546	11.9
173.04501	1.4
179.05641	2.4
191.05598	13.4
199.33885	1.4
233.06671	2.5
250.90010	1.3
289.16559	34.6
290.17020	1.7
293.09036	1.7
421.20761	100.0
422.21085	6.7
481.21945	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	481.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
61.98841	5.0
71.01395	0.8
71.52768	1.4
72.40038	0.9
77.59103	0.9
78.95918	1.5
83.74407	0.8
87.30803	0.9
88.98807	3.7
96.96013	1.4
98.20567	1.0
99.92585	86.8
100.92580	2.9
100.93342	4.0
115.92077	100.0
116.92092	3.9
116.92861	11.7
132.92459	1.1
152.99565	2.3
191.95151	2.2
201.96123	1.2
216.97302	0.9
269.35034	1.1
304.03912	0.9
344.07224	1.9
371.09396	1.2
373.11099	39.9
374.11237	3.6
375.12756	6.3
387.09473	1.8
389.10580	2.5
391.12088	10.7
392.12234	1.5
393.13620	1.3
437.12338	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	481.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24874	0.6
53.46186	0.5
57.03455	3.6
59.01382	7.3
60.99303	13.9
61.98825	3.5
64.70845	0.5
68.99566	1.2
69.03459	0.6
69.49840	3.9
71.01383	3.3
72.99313	0.9
83.01364	0.9
85.02953	6.9
88.98804	100.0
89.02447	3.4
89.99140	0.7
95.01408	0.7
96.96006	2.4
99.04511	3.0
101.02415	3.1
103.95980	0.6
111.00906	1.5
112.98562	1.5
113.02442	1.6
121.02985	0.6
123.00885	2.0
124.01624	0.9
125.02465	1.2
127.11334	1.1
129.01935	0.6
131.03517	0.6
138.03250	0.7
139.03989	0.9
143.03522	0.8
147.03050	0.6
149.04526	0.9
157.08694	0.5
158.07777	0.5
161.02440	0.6
166.12209	0.5
173.00867	1.1
177.01852	0.6
177.76492	0.6
177.94125	0.5
179.71135	0.5
182.02261	0.9
184.07976	0.6
187.13390	11.7
191.01990	2.0
197.04553	1.3
204.35780	0.5
205.03593	0.6
209.02927	0.9
213.11357	0.8
272.82828	0.5
341.08746	1.2
391.16092	1.4
481.08441	1.9
481.14532	3.1
481.19571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.1
61.98822	6.2
65.65995	0.8
71.51944	1.4
78.95901	1.1
99.92587	43.0
100.92686	1.2
100.93375	3.6
115.92076	100.0
116.92085	3.0
116.92864	23.8
122.93511	1.1
127.85981	0.8
140.08795	0.9
142.20403	0.9
144.92332	1.2
147.79893	0.9
182.15742	0.9
191.95209	2.0
192.96053	1.3
193.96672	1.1
243.19394	0.9
291.03006	1.0
293.04980	1.9
299.14282	1.7
303.03308	1.0
304.53873	0.8
322.05212	2.8
373.11099	41.3
374.11176	4.9
375.12616	4.4
387.09091	1.8
391.12207	11.0
392.12595	1.4
405.09900	1.6
409.13318	2.5
437.13116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45891	0.7
61.98830	100.0
62.50830	0.6
71.51424	0.7
78.95908	1.3
84.66946	0.8
85.80521	0.7
95.60580	0.7
99.78452	0.7
126.90476	0.9
134.10997	0.7
255.23260	8.2
322.41132	0.9
480.31097	2.4
481.01358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24953	0.6
59.01375	3.3
61.98833	4.2
69.18707	0.7
69.19035	6.7
76.36069	0.7
78.95905	1.0
84.99538	0.6
85.02970	1.2
96.96019	0.7
97.29314	0.6
99.92586	48.7
100.92667	1.4
100.93372	3.6
107.64629	0.7
108.70635	0.7
115.92078	100.0
116.92073	3.6
116.92865	14.8
132.92337	1.6
144.92336	0.8
145.36897	0.7
151.95833	0.6
159.11609	0.7
172.62497	0.8
344.07278	1.0
349.10980	0.8
371.08984	0.7
373.06540	1.4
373.11108	26.3
373.15698	1.4
374.11444	3.1
375.12628	2.0
387.09021	8.4
389.10583	2.0
391.12164	20.7
392.12491	2.2
393.13599	1.5
405.10181	2.9
409.13229	2.7
419.07706	0.8
437.12643	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	480.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69654	0.8
55.24992	0.8
56.90711	0.8
57.03442	2.2
57.45503	0.8
59.01378	15.1
61.98831	40.1
65.21856	0.9
68.81177	0.9
69.57272	4.0
70.80799	0.8
71.01375	5.9
71.37776	0.9
72.96741	0.8
73.02950	1.3
78.95912	1.5
83.01395	1.3
85.02957	5.7
87.00866	1.5
89.02458	1.7
93.03445	1.3
95.28902	0.9
96.96030	1.7
99.00845	1.1
99.04514	2.1
101.02443	4.8
109.02964	0.9
110.69144	0.8
113.02452	2.1
125.02459	1.3
131.03508	2.1
133.02951	3.6
149.02501	1.4
151.00372	3.4
152.99553	1.6
161.04530	0.9
175.03949	1.6
191.01913	1.0
199.03931	2.7
231.94670	1.1
256.03955	1.5
284.03336	1.5
285.04044	100.0
286.04279	4.2
289.16528	3.5
417.08252	38.5
418.08527	2.8
421.20569	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	479.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03468	0.7
58.00589	0.7
59.01380	100.0
60.01720	0.6
61.12980	0.3
61.98824	1.6
67.81517	0.4
69.03458	0.4
69.46700	1.4
69.47136	1.0
71.01382	15.7
72.99301	0.7
73.02945	9.0
78.95910	2.7
81.03483	0.5
81.13541	0.4
83.01396	3.2
85.02950	4.7
87.00883	0.7
87.04516	0.4
89.02441	9.3
95.01405	1.1
96.96024	0.5
97.02962	0.6
99.00891	0.6
101.02443	12.5
113.02450	8.5
116.92835	0.5
119.03526	3.8
131.03552	1.2
141.64415	0.4
143.03484	1.6
149.04590	1.2
152.99588	3.6
161.04523	3.5
161.54092	0.3
179.05624	1.7
386.29010	0.4
419.24451	2.7
420.24689	0.5
437.25500	2.9
479.20789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58276	0.3
53.74609	0.3
54.03168	0.3
57.03437	1.6
58.00587	0.7
59.01380	21.0
60.51501	0.4
61.98834	3.2
70.84303	0.5
71.01382	14.0
72.99287	0.9
73.02949	2.1
83.01387	1.8
85.02946	3.5
86.11921	0.5
87.00858	1.2
88.98791	0.4
89.02447	6.4
95.01369	1.0
98.20306	0.6
99.00933	0.6
99.08154	1.2
101.02441	8.6
105.41509	0.4
111.00858	0.7
111.04556	0.4
113.02448	4.2
113.09727	0.4
119.03489	2.5
125.02454	0.7
129.01955	0.4
131.03462	0.4
137.02498	0.4
149.04509	0.7
161.04608	0.5
195.17621	0.5
211.16893	0.5
237.18571	2.4
239.16541	8.0
255.16614	0.5
255.19630	8.9
257.17557	22.1
258.17862	1.0
264.39346	0.4
299.13144	0.9
299.18729	0.5
317.19720	0.8
343.86520	0.5
401.21732	1.1
417.24982	4.7
418.25784	0.5
419.22812	24.6
420.23077	1.8
461.23956	5.0
479.24973	100.0
480.25317	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	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
58.00610	0.8
59.01379	100.0
60.01705	0.9
61.98830	1.5
69.68085	0.6
70.00712	2.2
71.01379	26.4
72.99310	1.6
73.02957	1.5
77.31303	0.5
81.77142	0.5
83.01391	1.4
83.05030	0.6
85.02949	5.1
86.71137	0.5
87.00884	2.1
88.98823	1.1
89.02442	43.1
95.01417	1.2
96.96032	1.5
98.20590	0.7
98.95632	0.8
99.04517	1.0
99.92589	3.1
101.02441	15.3
113.02441	11.5
115.92109	1.9
116.92858	20.8
117.92922	0.8
119.03500	17.1
119.04343	0.9
119.85251	0.6
121.02993	0.6
123.08154	0.6
125.02444	0.9
125.49527	0.5
129.02042	0.6
131.03511	2.0
135.16182	0.6
143.03510	5.4
149.04576	2.0
151.00404	1.3
154.41475	0.5
161.04553	9.9
178.99910	1.0
179.05603	25.3
189.12959	1.3
207.13995	2.1
226.96579	1.6
257.17676	1.9
271.02551	2.0
278.89859	0.5
287.01987	1.0
299.02069	1.1
302.09964	0.6
303.14133	0.5
316.02249	4.7
317.03168	2.4
323.52023	0.5
361.18915	1.0
401.22348	0.7
419.23044	4.5
443.06638	0.9
461.24109	0.8
479.08408	10.1
479.21432	1.7
479.25885	0.7
480.08490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.80428	0.7
57.03435	1.3
58.00584	1.2
59.01378	100.0
60.01709	2.0
61.62878	0.7
61.98836	5.0
65.32183	0.7
66.94801	0.6
71.01381	20.4
71.05017	2.0
72.99304	0.8
73.02969	0.8
78.95908	1.1
83.95453	0.7
85.02948	4.8
87.00873	2.2
89.02441	22.0
95.01387	1.6
96.96024	1.2
97.02950	2.3
98.19835	1.1
99.00888	8.1
101.02437	10.6
109.06622	0.8
113.02456	7.0
116.92883	0.9
119.03490	8.0
125.02450	0.9
125.09707	2.8
126.90492	1.0
127.11275	0.8
143.03497	2.2
143.07118	3.0
149.04558	1.0
161.04553	5.3
161.09590	0.8
162.90706	0.7
163.11290	3.9
164.31985	0.7
179.05589	7.1
181.12332	8.7
197.11827	1.2
199.13382	15.9
207.10248	18.7
207.13670	1.3
225.11302	35.3
226.11633	2.3
243.12341	11.2
243.16010	1.0
250.55626	0.8
253.09311	4.0
317.16290	0.9
387.20200	15.6
461.20306	6.9
479.21292	83.0
480.21475	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.0
57.87450	1.1
58.00563	2.7
59.01377	100.0
61.98831	15.1
69.88575	0.9
71.01381	58.9
71.41515	1.7
71.62736	1.0
72.99297	3.7
73.02935	9.3
78.95892	1.1
83.01373	3.2
84.95115	1.7
85.02950	12.0
86.00069	1.4
87.00852	6.6
89.02443	89.8
95.01389	1.7
97.02963	1.2
101.02444	42.8
111.00861	2.1
112.56080	1.1
113.02437	11.7
116.92863	3.0
119.03517	6.9
125.02419	3.3
126.90505	14.9
129.01906	1.6
131.03497	41.2
149.04552	87.3
150.04895	2.4
161.04552	2.5
166.17525	1.0
183.10233	13.3
191.05618	20.3
194.19591	1.0
209.03036	1.1
225.11305	1.4
229.13319	1.1
238.85860	1.1
251.07698	2.5
253.09299	1.4
293.08759	1.1
306.25259	1.0
311.09811	1.1
347.20819	4.2
375.06454	1.1
419.19186	22.7
420.19525	2.5
479.25824	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82219	1.1
55.01867	2.0
57.03446	2.7
58.00594	2.4
59.01377	100.0
60.01727	1.3
61.98826	18.9
68.47212	1.2
69.93049	5.8
71.01382	52.5
72.99312	3.0
73.02953	9.4
83.01389	4.1
84.95104	2.5
85.02958	11.9
86.00042	1.5
87.00890	8.4
88.98809	1.4
89.02444	91.7
95.01392	1.2
96.96060	1.8
99.00902	2.3
101.02437	45.7
105.49397	1.1
113.02467	12.8
116.92863	1.8
119.03492	5.5
121.49261	1.1
124.96455	1.4
125.02422	2.9
126.90516	16.0
131.03506	41.7
143.03499	1.8
149.04553	90.3
161.04550	4.0
179.05655	1.7
182.62599	1.4
183.10249	11.7
191.01932	1.4
191.05588	19.4
197.04366	1.4
251.07788	2.0
253.08920	1.4
264.64203	1.2
293.09036	1.7
311.09760	1.8
347.20670	4.9
419.19150	21.8
420.19452	2.2
479.19104	2.3
479.25711	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14314	0.3
52.59911	0.3
55.01897	0.5
57.03450	6.6
59.01377	11.0
61.98837	2.1
67.64321	0.3
69.03446	0.5
71.01381	4.9
71.05011	1.9
71.51736	0.4
71.52157	0.4
72.99317	0.8
73.02966	0.9
73.07339	0.3
79.95764	0.6
80.14848	0.3
83.01408	0.7
83.05038	0.4
85.02953	2.7
87.00883	0.7
88.98814	0.6
89.02448	2.5
93.03457	8.1
96.96008	14.6
97.02952	3.5
97.06602	1.3
99.00876	14.0
99.04513	4.8
100.01266	0.3
101.02448	4.4
103.00289	0.3
107.01369	0.7
109.06546	0.8
110.03765	0.8
113.02462	1.7
115.00418	0.4
119.03535	0.7
123.04525	0.5
123.08155	0.6
125.02476	0.7
125.06134	0.4
125.09723	4.1
129.10397	0.4
135.08167	0.6
136.05338	0.6
137.02510	0.4
142.02721	1.0
143.03503	0.5
151.00414	1.1
152.01163	0.6
153.12828	0.4
155.14354	0.8
161.04541	4.4
163.11263	6.2
163.95712	0.3
164.11598	0.5
172.68217	0.4
178.99989	0.8
179.10744	0.4
181.12329	14.3
181.30658	0.3
182.12695	0.4
185.11806	1.8
186.12445	0.4
197.11853	0.7
199.13396	11.7
207.10245	24.4
208.10605	0.8
225.11314	39.6
225.15024	2.5
226.11707	1.5
241.00130	0.6
242.02271	0.6
243.03001	0.6
243.12357	28.6
244.12761	0.9
253.09251	1.1
255.03018	0.4
270.01688	0.6
271.02420	2.4
272.03290	1.5
298.01178	0.8
299.02045	3.0
300.02789	0.5
301.03644	0.7
303.73782	0.4
316.02417	1.3
317.03152	0.6
317.16025	0.8
335.04300	0.8
387.20328	0.5
387.46872	0.4
417.08777	0.7
435.09613	0.4
461.07605	1.0
461.20148	1.2
470.80240	0.4
479.08749	30.9
479.21274	100.0
480.09253	2.1
480.21652	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03448	0.6
59.01381	6.6
61.98822	1.0
69.03471	0.4
69.44817	0.9
69.45250	1.5
71.01384	5.4
71.05016	1.7
73.02946	0.6
78.95890	0.8
83.05013	0.4
85.02943	1.3
87.00850	0.6
87.87231	0.3
88.98849	0.4
89.02454	2.5
96.95998	0.7
97.02945	2.8
97.06586	1.1
98.20461	1.4
99.00875	9.8
101.02434	3.2
109.06596	0.9
110.03748	0.4
113.02438	1.1
116.92860	0.5
119.03509	0.7
123.08115	0.6
125.09709	3.7
127.11256	1.1
142.02718	0.6
152.99594	0.6
153.12846	0.7
155.14456	0.5
158.54614	0.3
161.04562	1.0
163.11279	5.5
164.11610	0.5
181.12337	14.0
190.10619	0.4
197.11742	1.0
199.13383	25.5
200.13744	1.0
207.10254	24.9
208.10625	1.3
225.11308	53.8
226.11679	1.8
243.12357	17.6
244.12637	0.8
253.09320	2.6
317.16101	0.8
322.89648	0.4
368.42944	0.4
414.07922	0.4
424.83951	0.4
461.20297	9.4
462.20676	0.8
479.21304	100.0
480.21652	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22018	0.3
57.03419	0.8
58.00566	0.5
59.01380	25.0
61.98834	2.3
66.66900	0.4
70.60214	0.9
70.60581	0.6
71.01010	0.7
71.01382	9.8
71.05013	2.3
73.02928	1.2
75.00857	0.7
77.34667	0.4
78.95879	1.3
79.95743	0.5
83.01345	0.9
83.04990	0.4
85.02950	2.8
86.33160	0.5
87.00846	1.3
89.02446	6.8
95.01399	0.9
96.96009	1.0
97.02957	3.0
97.06567	0.7
98.20238	0.8
99.00271	0.7
99.00878	10.0
101.02444	7.4
103.00390	0.5
109.06626	0.4
113.02441	3.8
119.03482	1.3
123.08166	0.7
124.66558	0.4
125.09707	4.0
127.11269	0.8
128.07671	0.4
131.03470	0.5
133.23300	0.3
142.02617	0.4
143.03465	1.0
143.07071	0.5
152.99573	1.3
161.04547	2.1
161.09660	0.4
163.11279	5.2
164.96022	0.4
179.05611	1.8
181.12332	12.7
182.12686	0.4
185.95265	0.4
195.85904	0.4
197.11794	1.0
199.13387	20.7
200.13634	0.9
207.10248	22.8
208.10518	0.9
225.11307	47.4
226.11685	2.0
243.12355	14.4
244.12723	0.7
253.09283	4.1
317.15973	0.8
387.20215	3.7
437.68146	0.5
461.20258	8.4
462.20660	0.7
479.21292	100.0
480.21655	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	479.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01379	5.0
61.98832	1.2
71.01394	1.9
72.99319	0.8
73.02973	0.3
79.95738	0.3
85.02972	1.3
89.02447	1.1
91.01865	0.3
96.96008	5.3
97.02945	1.0
98.20705	0.5
98.95596	6.2
98.96440	1.3
99.00900	0.5
99.04515	1.5
99.92583	13.9
100.92657	0.4
100.93354	0.9
101.02444	1.4
113.02458	0.5
114.94925	1.9
115.92077	10.7
116.92858	100.0
117.92871	3.8
119.03514	0.6
123.04533	1.1
137.02478	0.3
139.95729	0.8
155.02783	0.3
156.96007	0.7
158.93907	1.3
161.04547	1.1
167.03502	2.5
182.97525	2.1
183.94661	1.5
184.95415	0.4
185.11877	0.4
191.01999	0.4
198.96898	0.3
226.96503	11.7
227.96822	0.7
293.08850	0.3
299.02304	0.4
310.98767	0.3
311.07748	0.4
317.03220	0.7
318.03842	0.5
319.04703	0.5
338.25195	0.3
381.16614	0.4
399.07452	0.5
399.16296	0.4
419.22891	0.6
443.06509	4.5
444.06421	0.4
479.08582	26.4
480.08972	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06445	0.4
57.03431	0.8
58.86843	0.5
59.01371	3.0
60.99304	12.9
61.98822	1.5
68.99573	1.2
71.01376	1.1
71.52012	0.8
75.00856	0.7
75.78325	0.5
81.49751	0.5
81.99073	0.4
85.02953	2.5
87.00884	1.1
88.98801	100.0
89.99135	0.6
95.01427	0.4
96.22997	0.4
96.96021	0.8
101.02442	0.5
109.02946	0.9
110.00095	0.8
110.19650	0.4
111.00856	0.5
112.98634	2.1
115.92114	0.6
116.92869	0.7
119.05032	0.6
121.03005	0.7
123.00887	1.2
126.90501	0.6
129.01920	0.5
135.50423	0.5
137.02515	0.4
154.99803	0.6
163.00395	0.5
166.99918	0.5
177.57077	0.5
178.99861	0.8
180.06667	3.0
189.34006	0.6
191.01976	0.6
197.04549	0.9
209.04659	0.6
239.05550	3.1
271.02478	2.4
287.02005	2.7
287.09174	1.2
316.02151	3.2
317.02844	1.2
317.10342	1.5
335.05676	1.5
346.14166	0.6
346.75787	0.5
353.05222	1.3
479.08261	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19877	0.5
55.01874	0.9
57.03453	2.3
58.00627	0.5
59.01377	14.7
60.99319	0.6
61.98830	6.2
69.03442	2.5
69.92181	0.5
69.93771	2.5
71.01379	8.0
71.05043	1.7
72.99327	0.8
73.02953	1.8
80.28788	0.5
83.01384	0.9
85.02948	3.7
87.00901	0.7
88.98817	2.9
89.02445	6.2
95.01399	0.9
96.96017	1.4
99.00874	1.0
99.04534	0.9
101.02440	8.2
107.50600	0.5
113.02454	3.0
119.03506	1.7
123.04530	0.5
123.08191	0.5
125.02412	0.8
125.09747	1.7
126.90524	0.5
129.01979	0.6
135.04582	0.9
143.03461	0.9
151.11264	1.6
153.12843	2.6
161.04567	2.1
161.09703	3.0
179.03690	0.4
179.05542	0.6
179.10768	6.5
197.04561	1.2
197.11823	78.1
198.12198	3.7
223.09698	1.1
241.10825	6.4
253.09286	4.2
297.16995	0.4
301.03622	0.5
477.19656	100.0
478.20013	8.1
488.48105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	0.6
61.98831	3.3
70.49249	0.3
71.01382	2.4
71.42337	0.4
73.02948	0.5
78.95904	1.1
85.02963	1.4
88.69826	0.4
89.02475	0.4
96.95988	0.7
101.02442	0.6
146.25729	0.4
152.99562	0.5
161.04636	0.4
211.31631	0.4
223.13574	0.4
229.14426	0.4
246.76750	0.4
343.17545	1.1
463.93359	0.4
477.19009	0.8
477.30835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.05
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96674	0.2
57.03445	0.3
59.01379	1.5
67.59053	0.3
70.07297	1.2
71.01394	2.5
72.99311	0.4
73.02937	0.5
79.95731	4.1
79.96203	0.3
80.96517	3.6
83.01385	0.4
83.92452	0.2
85.02922	1.3
87.00876	1.0
88.98775	0.3
89.02409	0.6
93.34507	0.2
95.95229	0.7
96.96010	100.0
98.19909	0.3
99.00892	0.7
101.02447	1.2
110.97594	2.2
113.02454	0.7
122.97549	0.4
124.80177	0.2
125.02467	0.4
138.97067	9.7
143.03537	0.5
150.97058	1.1
161.04697	0.3
164.98618	1.0
168.98129	1.0
180.98116	0.7
190.99904	0.3
191.01816	0.3
205.01543	0.3
205.98607	0.5
206.97371	0.4
206.99329	7.2
221.00893	0.6
222.01691	7.7
222.99136	1.9
233.00812	0.5
237.04041	4.1
241.00227	69.3
242.00542	1.6
245.32262	0.3
273.04135	0.4
306.85287	0.3
351.65695	0.3
353.05148	0.7
399.09311	2.9
447.89368	0.3
456.52649	0.3
479.04987	25.1
480.05151	1.5
494.81000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
56.35919	0.3
57.03443	1.1
59.01377	8.3
61.98831	1.6
69.03462	2.9
69.36026	2.7
71.01389	5.3
71.05019	2.2
72.99338	0.5
73.02955	0.9
78.91897	0.5
80.91637	0.7
83.01369	0.5
84.60072	0.3
85.02944	2.5
88.98815	0.7
89.02456	3.2
92.70081	0.4
95.01365	0.7
96.96010	0.5
97.06609	0.5
99.00846	0.6
101.02444	3.6
109.06597	0.5
113.02466	2.3
119.03539	0.9
123.08199	1.1
125.09714	1.6
136.07620	0.4
137.09731	0.5
147.77928	0.4
151.11305	1.4
152.22673	0.5
153.12863	2.0
161.04532	1.0
161.09717	2.1
176.22990	0.5
179.10783	6.0
197.11830	90.7
198.12186	3.6
211.13766	0.4
211.82286	0.4
223.09749	2.2
241.10818	9.9
242.02187	0.6
242.11227	0.5
243.02977	3.5
253.09256	2.4
257.04550	1.3
270.01663	0.9
271.02441	3.2
271.10864	1.6
285.04095	2.5
286.04782	1.0
299.02020	1.0
300.02933	0.6
314.04303	3.7
315.04950	0.9
315.09897	0.7
317.16357	0.4
325.43655	0.4
477.10495	7.2
477.19730	100.0
478.10309	0.6
478.20108	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	477.1039
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
59.01376	3.8
61.98822	1.9
69.55982	0.5
69.56295	3.3
71.01368	1.5
73.02909	0.5
83.01392	0.6
85.02943	1.7
88.98831	1.0
89.02430	1.2
97.93683	0.5
101.02400	1.2
107.01385	1.2
110.83035	0.6
125.02373	0.5
135.98357	0.7
151.00368	2.7
153.12802	0.7
160.33334	0.4
171.04475	0.8
175.04131	0.5
178.99838	0.5
179.10760	0.8
185.35272	0.5
187.03740	0.5
191.92453	0.5
197.11827	13.0
198.12061	0.7
199.03993	2.7
201.01793	0.9
203.03407	0.9
204.04330	0.5
205.05006	0.5
215.03499	2.8
222.44411	0.5
225.02003	0.6
226.02687	0.8
227.03537	4.0
229.01492	0.6
241.10847	1.1
242.02213	7.0
243.02971	40.3
244.03336	1.8
255.02940	0.9
257.01892	0.8
257.04556	12.9
258.04837	0.7
270.01685	10.0
271.02454	41.4
272.02853	2.1
285.04034	22.8
286.04700	7.4
299.01959	9.2
299.25449	0.5
300.02631	5.4
313.16513	1.1
314.04312	47.3
315.05032	11.0
357.06314	1.0
429.14029	0.5
477.10358	100.0
477.19720	9.9
478.10709	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	476.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	24.4
59.01380	22.7
59.01692	0.6
61.98830	100.0
68.01497	0.5
69.42869	0.4
69.43183	3.6
71.01377	4.3
71.43067	0.4
73.02946	1.5
80.53887	0.4
83.01370	1.0
85.02966	2.4
88.31622	0.4
88.77770	0.5
88.98814	2.1
89.02456	0.8
98.20719	0.9
99.00868	0.8
99.04520	27.8
100.04879	0.6
101.02442	10.6
107.65043	0.5
113.02467	1.5
113.06106	0.6
125.02446	11.2
143.03508	1.5
159.03059	0.6
161.02451	0.5
161.04536	3.3
175.53986	0.5
269.10291	7.2
311.11273	4.2
351.14551	1.6
375.71732	0.7
388.20624	0.5
413.14520	15.4
414.14612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
57.11234	0.2
59.01357	0.5
61.98818	0.1
74.73450	0.2
78.95903	5.3
82.36871	0.1
122.00121	0.2
131.99628	0.1
140.01183	2.0
152.99588	0.5
196.03763	1.0
214.04874	2.7
261.22290	0.4
279.23270	100.0
280.23627	6.1
363.99908	0.1
405.64435	0.1
476.27844	11.4
477.28241	1.1
491.66867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81423	0.1
53.32639	0.1
59.01365	0.5
61.98841	0.3
62.96399	0.2
65.19933	0.2
70.93496	0.2
78.95905	21.8
84.28574	0.2
94.57304	0.1
98.19931	0.4
122.00152	0.8
125.82112	0.2
140.01189	6.0
140.20955	0.2
152.99586	2.0
166.02716	0.3
171.00725	0.3
196.03795	10.6
198.98390	0.2
203.14662	0.2
214.04852	2.4
230.03937	0.2
261.22238	0.4
279.23279	100.0
280.23627	5.9
295.79544	0.2
346.15057	0.2
382.71878	0.2
476.27814	35.0
477.28101	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.7
65.06866	0.5
70.06584	1.8
76.89049	0.4
78.95905	100.0
79.92307	0.4
81.57341	0.4
96.96961	7.9
107.37012	0.4
109.44319	0.4
140.01236	0.7
152.99582	15.4
153.00824	0.9
160.19081	0.4
171.00636	20.6
226.93314	0.6
279.23309	2.1
280.47342	0.4
402.24243	1.5
410.45840	0.5
476.27811	67.7
477.28009	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	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19913	0.4
57.03431	0.6
57.85014	0.3
59.01366	0.8
60.48723	0.3
60.99308	13.2
61.29205	0.4
69.64192	1.9
69.64605	0.7
85.02953	3.4
87.00878	0.4
88.00414	0.7
88.13799	0.4
88.98804	100.0
89.02444	4.5
89.99116	0.6
93.03462	0.4
96.96015	0.6
98.20678	0.4
106.27187	0.4
129.01968	1.2
137.02475	0.7
147.03001	0.5
149.38264	0.4
156.55458	0.4
165.81403	0.4
173.20122	0.4
191.01935	1.0
308.06049	0.4
358.14029	0.4
402.39331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01374	1.3
60.99306	14.4
61.98809	1.0
62.90960	0.5
69.88680	1.6
69.89097	0.8
71.01375	0.9
72.23491	0.4
85.02950	3.9
87.00875	0.6
88.00407	1.1
88.98804	100.0
89.02436	4.3
96.96007	0.7
98.20614	0.5
99.08167	0.6
145.08705	1.9
149.00911	0.6
165.05498	0.6
182.02222	0.6
191.01993	1.4
193.52771	0.4
209.02989	0.8
255.75871	0.5
367.57922	0.6
382.43188	0.5
476.18015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16573	0.5
53.82846	0.4
56.94967	0.5
57.03448	23.1
59.01379	10.8
61.98842	0.6
66.38772	0.5
69.54324	2.6
71.01379	3.1
71.07842	0.4
73.02940	1.0
73.56044	0.4
79.95727	3.2
80.96519	0.7
83.01379	1.4
84.78191	0.5
85.02943	3.4
87.00868	0.7
88.98804	2.2
89.02444	0.7
96.96013	28.8
97.02892	0.6
98.19886	0.7
99.04516	22.1
101.02438	11.2
113.02425	1.6
125.02441	2.5
143.03461	0.7
152.98631	0.7
157.82158	0.4
161.04547	13.8
164.98624	1.3
180.98059	0.8
191.01970	0.9
208.90120	0.4
223.04565	1.5
241.00194	0.8
250.10309	0.5
251.11346	5.9
293.12415	0.7
313.05969	2.7
331.07004	8.6
336.80396	0.6
373.08194	0.6
395.15540	1.0
413.11255	3.1
415.09192	1.7
421.07922	0.5
450.35669	0.5
475.11240	100.0
476.11530	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	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65336	0.5
55.01869	0.7
57.03447	6.1
59.01114	0.9
59.01380	12.5
60.99011	0.8
60.99308	13.4
61.98830	3.1
68.23006	0.5
69.67264	2.9
71.01383	4.8
72.99285	0.8
73.02942	1.5
75.00868	0.7
83.01371	1.1
84.02158	1.0
85.02950	33.1
87.00862	1.2
88.00384	1.0
88.98805	100.0
89.02444	7.1
89.99125	0.8
93.03465	0.6
96.96008	1.8
99.04516	1.0
101.02448	2.1
110.14680	0.5
111.00850	2.0
113.02451	0.7
116.92850	1.0
119.03469	0.7
121.02969	5.8
125.02407	0.9
125.06112	1.3
126.90497	2.0
129.01953	4.6
134.06113	0.7
135.04550	1.1
143.07184	3.1
147.02997	6.4
148.04100	1.3
149.04578	1.1
153.05545	1.8
161.02492	0.8
161.04558	1.4
163.03989	0.6
173.00864	0.8
189.05669	0.6
191.01978	10.9
197.04529	6.3
209.03003	0.8
221.11778	1.6
222.30606	0.6
261.48154	0.5
295.11002	1.7
300.99677	0.7
313.05640	12.5
314.05975	1.1
364.82324	0.6
475.16949	4.7
486.32727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82782	0.8
55.01863	1.9
56.57600	0.7
57.03451	13.4
59.01378	17.1
60.99308	0.9
61.98820	3.5
67.04944	0.8
71.01381	5.7
71.52157	1.0
72.99306	1.7
73.02942	1.6
75.00861	1.8
77.29431	0.7
79.95752	0.7
83.01396	3.4
84.02167	2.9
85.02951	100.0
86.03286	1.9
87.00865	2.8
88.98797	5.6
89.02454	2.1
93.03454	8.8
94.98081	2.4
95.01394	1.1
96.96015	4.0
96.96990	1.0
99.04547	0.9
101.02446	3.7
103.00385	0.9
107.01401	1.1
107.51505	0.8
111.00879	8.7
113.02435	2.1
116.92843	2.3
117.03450	0.9
119.05018	4.3
121.02947	1.0
123.00871	1.2
125.02420	5.7
126.90532	0.8
128.03462	1.0
129.01942	22.6
131.03491	0.9
135.04436	1.4
137.02455	19.0
139.00449	0.8
145.02943	4.2
147.02991	13.9
149.00868	1.1
153.05609	1.6
161.02461	1.3
161.04510	1.0
163.04002	2.4
169.01384	6.2
173.00938	7.1
173.02457	1.3
175.04050	0.9
179.03473	1.2
181.08759	2.1
191.01979	27.7
192.02400	1.2
197.04520	1.4
200.47501	0.7
201.01939	1.2
205.05118	1.1
209.02998	19.4
214.67287	0.7
247.02319	1.3
257.04486	0.8
273.00412	1.2
274.00754	0.8
275.01666	1.0
300.99948	4.8
311.04102	3.5
329.05124	23.8
355.06790	1.8
377.03226	1.0
453.04269	1.0
475.22968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06105	0.9
54.86181	1.0
55.01859	1.0
57.03448	13.1
59.01378	9.0
61.98829	2.8
68.99810	1.7
69.85423	1.6
69.85812	2.4
71.01379	5.7
72.99312	1.4
73.02946	1.0
79.95736	3.3
80.96509	1.1
83.01380	5.1
84.02163	2.3
85.02950	100.0
86.01055	1.0
86.03254	1.6
87.00851	1.4
88.98788	2.5
89.02457	2.3
90.87216	1.0
93.03459	13.2
96.96027	6.6
98.19847	0.9
98.95599	1.3
101.02434	2.6
111.00885	12.4
113.02461	1.3
117.03480	2.2
118.95534	1.1
119.05021	9.4
121.02940	3.5
123.00839	1.1
125.02431	3.1
126.90511	11.3
128.03491	1.4
129.01941	37.0
137.02428	30.2
145.02960	9.6
147.02975	17.2
163.04041	9.4
166.99838	1.0
169.01385	3.6
173.00883	10.1
177.05502	1.4
191.01982	26.9
197.04492	1.8
205.05014	1.8
209.03029	8.6
211.00685	1.7
223.04520	1.5
231.06569	1.6
231.92088	0.9
233.04543	1.1
268.96338	1.0
276.93689	1.8
293.06702	2.3
294.66479	0.8
300.99850	3.3
311.03949	3.5
329.05072	8.1
330.05728	0.9
337.05441	1.1
355.06613	3.5
400.44284	1.0
439.17215	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	475.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31647	1.1
55.01869	1.1
57.03448	8.8
59.01381	5.3
64.06882	1.0
68.99812	1.9
69.04697	1.0
69.54121	1.6
69.54524	5.3
71.01384	5.1
72.99313	1.5
73.02946	1.2
73.33142	1.1
74.60225	1.0
75.00890	1.8
83.01395	3.3
84.02169	1.6
85.02950	52.2
88.98795	4.3
96.96020	11.7
99.04533	1.8
101.02420	5.3
111.00890	14.0
111.08046	1.0
116.20600	1.1
129.01953	8.9
135.04488	1.4
147.02969	4.1
154.77222	1.1
161.04546	1.6
163.00586	1.0
191.01947	16.8
205.03494	16.6
209.03001	16.3
223.04581	100.0
224.04958	2.6
310.96820	1.6
355.06448	2.1
385.07565	3.6
420.12018	1.1
475.11249	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	475.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
57.03450	12.0
59.01374	18.8
60.74193	1.2
60.99302	10.6
61.98825	2.5
66.48504	1.7
69.70274	6.3
69.97573	1.3
71.01377	13.1
72.99310	5.7
73.02945	1.8
75.00861	3.0
77.02290	1.3
83.01373	7.5
84.02158	2.5
85.02947	100.0
86.03306	2.4
87.00877	4.2
88.98800	48.8
89.02453	6.1
93.03478	2.1
96.96011	6.5
98.20540	2.8
101.02453	6.2
103.00376	2.1
105.15786	1.3
109.02941	1.8
111.00885	9.0
113.02461	1.5
115.00361	1.6
119.03489	1.5
121.02950	14.9
125.02475	3.6
128.03462	1.8
129.01935	9.9
133.01390	2.2
135.04533	12.5
136.04852	2.9
137.02438	3.4
143.03532	2.4
145.79526	1.2
146.03786	3.3
147.03023	12.1
149.00938	12.1
150.01286	4.0
151.01376	3.9
151.03987	4.3
161.02393	4.1
161.04559	2.1
164.04724	3.0
169.42757	1.2
173.00905	9.2
179.03465	10.4
179.07108	9.2
180.03839	3.8
181.04018	3.0
191.01959	59.9
197.04503	3.0
209.03003	3.7
223.04570	69.8
224.04889	3.6
297.24207	1.5
304.06201	1.8
307.40140	1.4
313.04831	1.5
335.03888	3.2
337.34647	1.3
353.05106	14.0
373.07465	1.4
385.07605	7.3
415.19519	2.0
462.43280	1.4
475.10944	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16712	1.3
55.01866	1.4
57.03448	33.8
59.01378	19.9
59.06740	1.5
60.99306	10.4
71.01395	7.3
72.99300	3.5
75.00873	2.6
79.95733	4.2
80.50179	1.4
83.01402	3.4
84.02184	2.2
85.02950	66.3
86.82449	1.6
88.98803	50.3
89.02425	3.1
96.96007	28.5
98.20756	3.2
99.00957	1.6
99.04519	24.7
101.02444	13.6
129.02005	2.9
135.04533	5.1
143.03516	2.3
147.02977	4.5
161.02502	2.0
161.04553	14.5
179.03482	3.3
191.01978	41.3
223.04594	75.3
224.04837	2.3
229.35220	1.5
251.11353	5.6
262.22519	1.5
313.05914	3.5
331.07153	9.0
385.07828	3.3
413.11371	4.1
415.08746	2.7
475.11234	100.0
476.11566	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03442	9.2
59.01380	7.2
60.99306	11.3
69.34598	2.2
69.35001	10.2
71.01392	8.0
72.95336	1.6
72.99306	2.4
75.00886	2.2
83.01380	7.7
84.02167	2.0
84.81960	1.5
85.02950	100.0
88.68902	1.6
88.98805	54.0
89.02473	1.5
95.01377	1.7
99.00879	2.2
104.65225	1.5
105.13950	1.6
105.98367	1.7
107.01338	1.7
111.00898	10.2
121.94823	1.6
123.00887	2.0
123.74850	2.1
125.02454	6.1
129.01953	13.4
135.04498	7.6
137.02446	3.6
143.03496	2.9
147.02988	14.4
161.02432	5.1
166.99785	2.0
169.01454	6.7
173.00923	12.2
179.03464	5.1
189.52481	2.0
191.01973	65.6
216.51297	1.6
223.04582	83.1
254.50055	2.4
300.99719	3.8
335.03940	3.3
353.05121	19.2
385.07782	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
60.08550	0.3
62.96377	0.3
71.01373	0.3
78.95902	26.3
88.96936	0.3
96.25505	0.3
96.97044	0.3
122.00121	0.9
131.75781	0.2
140.01192	6.6
152.99602	2.2
166.02747	0.3
171.00708	0.3
180.41386	0.3
196.03799	12.0
205.19527	0.3
214.04874	3.4
225.45808	0.3
229.28769	0.4
233.22670	0.4
254.22624	0.3
259.20584	0.6
275.20242	0.5
277.21704	100.0
278.22055	6.1
409.83731	0.3
437.99219	0.3
474.26248	36.3
475.26587	3.4
497.58237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.98826	0.3
63.95821	0.2
69.62181	0.2
70.29768	0.2
71.01371	0.3
77.22140	0.2
78.95902	6.4
98.19920	0.4
98.20609	0.7
127.07656	0.3
140.01187	2.9
152.99548	0.8
196.03764	1.3
214.04854	3.4
233.22754	0.4
259.20663	0.4
275.20068	0.4
277.21695	100.0
278.22025	6.5
433.63632	0.2
465.22607	0.2
474.26236	12.3
475.26480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75810	0.8
59.01382	1.9
61.98829	100.0
71.07036	0.9
71.07358	0.6
73.52757	0.6
73.93143	0.6
76.34631	0.8
79.84300	0.6
98.20298	0.9
177.92644	0.9
277.65656	0.7
463.48160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	29.4
59.01379	16.2
61.98818	1.3
70.90013	0.8
71.01386	3.9
72.99311	0.5
73.02936	2.0
79.95734	4.7
80.96519	1.1
83.01387	1.5
85.02946	5.3
87.00888	0.8
89.02419	0.4
96.96008	32.5
99.00857	0.8
99.04518	24.8
101.02441	13.1
113.02454	1.7
125.02453	1.9
135.04510	0.7
135.11736	0.4
143.03516	0.5
152.98595	0.5
161.04547	12.9
161.05888	0.6
162.04878	0.5
164.98630	1.0
179.03395	0.5
191.01965	1.0
201.98317	0.4
249.06290	0.4
249.13402	7.0
267.07101	1.0
311.08093	3.1
329.09088	13.1
371.10025	0.8
393.17596	0.6
411.13300	4.4
413.11288	1.9
429.17578	0.7
473.13275	100.0
474.13660	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	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	24.2
59.01377	52.4
61.98836	3.0
69.15581	7.5
69.15999	3.6
70.43200	1.2
71.01383	12.3
73.02943	5.1
74.23931	1.0
75.00869	85.6
83.01402	2.8
85.02947	10.4
87.00896	2.0
89.02436	6.8
96.96001	9.2
99.04514	30.7
101.02438	14.0
103.00370	100.0
103.04012	1.7
113.02445	6.4
114.62460	1.3
119.03597	1.8
125.02455	9.5
135.04538	2.2
143.03523	1.2
145.01390	1.3
149.00908	3.4
149.04533	1.3
152.08415	4.0
161.04535	8.5
167.10794	9.9
179.03526	2.2
179.05655	2.1
193.09503	1.3
199.13257	1.0
249.13306	2.4
272.24023	1.0
329.08972	2.9
332.13120	1.1
344.60150	1.2
371.17029	2.8
413.21768	1.2
473.13300	24.5
473.19534	2.4
474.13702	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	473.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	28.1
59.01115	1.1
59.01381	15.9
61.98822	1.9
66.76828	0.7
69.93342	1.2
69.93731	1.4
71.01377	3.5
71.80555	0.7
73.02938	1.6
79.95728	3.8
80.96532	1.3
85.02956	4.1
89.02437	0.8
96.96009	30.3
99.04520	21.4
101.02443	11.3
103.00345	0.8
113.02428	1.5
125.02418	2.9
129.01923	0.7
143.03450	0.8
144.50255	0.9
149.00974	1.1
161.04552	12.3
199.94348	0.7
211.52774	0.8
249.13391	7.1
311.08047	3.2
329.09152	8.8
411.13428	3.9
413.11365	1.5
473.13300	100.0
474.13589	6.6
491.72330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64181	1.1
57.03424	2.1
59.01373	13.0
61.98539	1.3
61.98826	14.0
70.26180	4.3
71.01366	3.8
72.99311	6.0
79.95353	1.6
79.95736	18.4
80.96515	10.9
84.99300	1.8
85.02948	12.4
86.03281	1.3
87.00880	18.7
88.98840	1.4
89.02417	3.1
93.03468	2.3
95.01369	1.7
96.96016	10.7
96.96936	2.7
101.02416	3.2
103.00361	3.4
103.07433	1.3
105.01928	1.5
110.21703	1.5
112.98835	6.7
113.02418	1.8
121.02953	9.8
122.03754	6.4
123.00849	4.3
123.04527	1.3
128.03511	1.4
129.01898	2.3
133.02921	1.5
134.03712	3.2
135.04523	41.4
135.05458	1.6
136.04831	1.9
137.02377	2.6
138.03186	2.5
145.02960	1.6
149.00916	100.0
149.02330	9.7
150.03221	59.4
151.03537	2.5
153.05553	5.4
161.02394	5.7
162.03203	1.8
164.04733	3.2
165.05569	84.6
166.05823	2.3
166.99815	5.4
177.05516	3.3
179.03497	46.9
180.04271	6.8
182.02191	15.9
183.02676	1.4
191.01906	2.6
191.03525	1.7
191.70953	1.2
193.05051	1.7
195.06619	22.3
197.02960	1.5
197.04561	25.1
203.00092	3.5
209.02991	2.5
219.02927	6.2
234.55824	1.3
245.01227	41.9
257.01071	1.6
259.02719	2.2
267.07211	3.0
275.02295	16.3
276.02670	1.7
283.06046	1.3
293.03021	6.0
297.07422	2.2
311.04120	13.0
345.09515	2.1
393.11710	8.5
429.10446	2.0
473.07401	92.6
474.08148	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	473.0722
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
57.03428	1.0
59.01380	4.6
60.75496	0.5
61.98832	4.5
69.42149	1.0
69.42557	3.1
71.01379	2.1
72.99306	5.2
75.00885	0.7
79.62694	0.5
85.02955	7.6
87.00874	12.9
88.98810	0.6
89.02428	0.9
93.03471	0.6
96.96015	7.4
98.95596	0.6
101.02419	1.0
103.00352	2.7
105.76120	0.7
107.04998	1.0
109.02951	1.7
111.00874	0.9
112.98816	5.2
114.82771	0.7
121.02931	0.6
129.01932	2.0
130.99889	1.0
133.02968	0.9
134.03754	3.6
135.04527	62.5
136.04822	1.6
137.02444	0.7
139.00365	1.6
147.02989	1.6
149.00914	100.0
150.01221	1.7
161.02411	5.0
162.03224	2.7
163.03998	2.3
173.00998	0.8
177.05614	3.8
179.03494	75.5
180.03850	1.6
187.03975	0.8
191.01984	1.8
191.03458	1.3
193.05060	0.7
209.03035	1.6
215.89970	0.7
219.02968	7.0
231.03058	1.0
282.79944	0.6
293.03027	9.0
304.06116	0.6
311.04074	17.3
312.04343	1.2
370.89990	0.6
429.23834	0.9
439.46579	0.6
473.17972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71715	0.3
55.01869	0.4
57.03452	0.9
59.01381	100.0
60.01718	0.8
61.98837	5.7
70.78419	0.8
71.01390	3.4
73.02958	1.0
78.95924	0.3
83.01392	0.6
85.02961	1.8
87.00909	0.4
88.98814	1.3
89.02462	0.7
96.96013	0.7
97.02962	0.4
99.00872	0.7
101.02446	1.8
113.02470	1.6
119.05038	0.7
126.90508	5.7
145.02997	0.4
160.95670	0.4
161.04604	0.7
163.04089	0.4
197.95753	0.4
203.05588	1.7
207.13905	3.9
225.81416	0.3
249.14980	6.0
262.93243	0.3
291.16180	0.4
353.12766	0.4
427.65421	0.4
471.22400	1.0
490.54205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	18.0
58.80606	0.4
59.01379	59.9
60.01724	1.1
61.98830	100.0
66.32232	0.4
69.24945	4.0
71.01373	5.4
72.99304	0.5
73.02950	1.8
81.03468	0.5
85.02955	5.4
89.02457	1.7
96.96024	0.9
99.00885	0.8
99.04523	17.4
101.02445	9.3
108.23909	0.5
113.02469	1.9
116.92879	0.8
119.03538	0.6
125.02446	6.0
129.01924	0.8
135.04558	0.8
143.03481	1.3
154.35791	0.4
159.02940	0.5
161.04561	4.0
162.50960	0.5
178.06160	0.5
190.72511	0.5
191.01997	0.5
207.13945	2.3
217.84216	0.4
249.14857	2.0
263.14960	5.7
281.81961	0.5
305.16116	2.4
345.19116	0.7
407.19247	9.0
408.19440	0.6
411.20279	3.4
467.99695	0.4
470.19055	0.5
470.29730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66397	0.6
61.98813	0.8
70.02969	1.6
72.00901	1.6
83.05025	2.2
83.36349	0.6
84.02131	0.7
86.02507	1.9
87.36124	0.5
88.04106	0.7
94.06641	1.6
96.08202	5.8
98.19887	2.2
108.08219	0.9
109.01728	0.7
124.07619	0.8
126.09276	2.8
127.44393	0.5
136.07681	1.0
152.34433	0.6
242.50902	0.6
251.23810	1.6
253.25356	33.1
254.25641	1.9
281.24890	6.1
298.27518	9.7
299.25775	2.9
306.27902	1.1
307.33365	0.6
324.28912	2.8
328.33517	0.5
340.28577	7.7
340.55978	0.6
341.29022	0.8
378.33725	8.9
390.34109	0.7
394.33221	1.1
426.35880	26.0
427.36221	2.8
431.50684	0.7
470.34842	100.0
471.35178	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	471.1176
Annotation	circumbiphenyl
Peak:m/z	Relative Intensity
50.97150	0.5
57.03448	31.1
59.01380	14.4
70.66463	1.3
71.01376	4.5
72.99306	0.4
73.02930	1.4
79.95735	4.6
80.96528	0.7
83.01387	1.2
85.02959	1.1
89.02450	4.2
96.96011	32.1
99.04516	22.8
101.02436	11.8
113.02442	1.7
119.03479	1.5
119.36372	0.4
125.02445	1.7
141.91920	0.5
143.03487	0.8
161.04553	11.2
164.98592	0.5
179.05655	0.9
211.97806	0.4
241.00293	0.6
247.11969	0.6
255.05846	0.4
309.06451	2.7
327.07513	11.9
369.08469	0.9
370.03244	0.5
391.16055	1.2
409.11533	3.8
411.09543	2.0
471.11725	100.0
472.11972	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50619	1.1
52.79122	1.2
54.29170	1.3
55.01881	2.3
57.03450	8.8
59.01379	100.0
61.35275	1.3
61.98832	13.0
66.13460	1.3
69.38831	7.8
69.39248	2.5
71.01384	23.8
72.99295	3.6
73.02940	8.3
75.00864	2.4
78.98585	1.3
79.95725	2.8
80.91673	1.3
80.96516	2.0
83.01373	5.3
83.42421	1.2
84.02154	2.0
85.02948	69.2
87.00875	2.5
88.98797	1.8
89.02427	4.5
95.01405	2.3
96.96013	33.7
97.02937	3.3
98.20669	1.6
98.95619	1.4
99.00887	1.9
99.04503	1.6
99.92591	1.6
101.02433	11.2
103.00359	1.9
107.05037	1.5
108.05801	1.4
109.02908	2.0
110.97535	1.4
111.00860	1.8
113.02448	9.9
115.92052	2.5
116.92851	1.9
119.03548	2.0
123.08082	2.0
125.02418	2.7
128.03529	1.2
129.01967	9.4
136.05269	1.8
138.06894	8.7
139.07585	4.1
147.02980	8.4
149.00900	2.6
151.00349	2.3
151.07631	6.7
152.08420	20.8
153.09204	42.3
154.09528	1.8
159.03210	1.3
159.04466	1.6
161.04504	6.6
165.09206	2.8
173.00903	2.1
179.10864	1.6
191.01976	23.7
192.02258	1.5
205.12299	22.6
209.03001	3.5
223.13393	7.6
227.10339	4.1
276.59848	1.2
285.04135	1.4
292.02673	1.2
313.03445	1.4
339.14514	1.4
367.17563	33.5
368.17966	1.7
385.18536	5.5
391.16064	27.8
392.15942	1.3
411.16516	1.4
427.19656	7.9
471.10696	6.7
471.15573	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	470.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05416	0.8
53.97335	0.8
57.03449	19.0
59.01380	28.2
61.98830	100.0
70.89165	0.8
70.89515	2.0
71.01391	5.9
73.02942	2.3
85.02950	7.9
86.03316	1.1
87.00907	1.2
89.02438	1.6
96.96029	2.2
99.04523	20.2
99.92571	1.0
101.02446	8.6
113.02465	2.0
115.92033	1.0
119.05016	1.0
125.02426	6.5
129.01958	2.3
143.03484	1.6
145.02902	1.1
161.04572	2.6
161.09734	1.1
191.01996	1.2
197.04541	1.4
209.02904	1.0
249.15012	2.5
263.15088	5.0
273.07635	1.6
280.70026	1.0
305.16101	2.6
345.19135	1.2
407.19269	10.7
408.19263	1.1
435.12656	1.0
471.22043	4.6
483.63782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65361	0.4
57.03448	14.3
59.01379	18.7
60.99319	0.6
61.98830	100.0
63.99261	0.7
70.12509	1.5
71.01389	3.0
72.99299	0.5
73.02947	1.4
77.48919	0.5
83.34376	0.5
85.02946	5.5
87.00883	0.7
88.98802	7.6
96.96042	1.4
99.04520	15.6
99.92599	2.7
100.92616	1.4
101.02441	6.4
113.02451	1.4
116.92860	25.2
117.92866	13.1
117.93645	1.1
118.92700	1.2
123.48618	0.5
125.02470	4.9
126.90551	0.7
129.01990	0.8
143.03496	1.5
147.03133	0.5
161.04549	0.8
177.01950	0.6
217.01427	0.9
263.14868	4.0
273.17136	1.6
305.16107	3.1
341.06711	1.7
345.19131	1.2
407.19183	11.2
408.19714	0.9
435.10861	1.9
471.22736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.3
59.01379	25.9
61.98829	100.0
62.20240	0.7
64.79896	0.8
71.01381	5.1
71.52537	1.2
73.02956	2.0
78.95921	1.0
79.95744	1.7
83.01399	1.4
85.02952	7.0
87.50243	0.7
89.02451	1.5
94.94244	0.7
96.96015	8.5
99.04519	15.3
99.05103	1.2
101.02448	8.2
102.14613	0.7
113.02465	2.0
116.92825	0.8
119.03511	0.7
119.05032	1.2
125.02431	5.1
129.02011	0.9
135.16031	0.8
143.03511	1.1
147.03047	0.8
161.02478	1.2
161.04599	2.3
191.02016	1.2
263.15024	2.9
305.16187	1.7
345.19214	1.2
407.19226	12.9
408.19513	0.9
470.11438	5.6
497.36429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97845	0.4
51.51098	0.4
57.03450	2.1
59.01383	5.3
60.99013	0.8
60.99311	13.7
61.98826	1.2
71.01366	0.9
79.95721	0.8
81.33525	0.5
85.02948	1.9
88.98809	100.0
89.99139	0.7
91.65292	0.5
96.96021	3.5
98.20403	2.7
99.04510	2.3
101.02432	1.0
103.03974	0.7
125.02450	0.8
126.90492	0.7
129.69601	0.5
130.40254	0.5
138.60272	0.5
165.15356	0.4
185.39297	0.4
198.28326	0.4
212.40787	0.5
235.11789	0.8
277.12961	0.5
379.16052	2.2
392.24203	0.5
469.11935	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	469.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78072	0.6
57.03451	3.3
59.01382	9.3
60.99008	1.1
60.99305	13.5
61.98839	4.9
69.03479	0.7
70.51941	1.7
70.52317	0.7
71.01389	5.5
72.03917	0.6
72.99304	1.9
73.02949	1.3
76.01528	0.6
79.95738	2.0
83.01384	1.4
83.05023	0.6
85.02954	10.9
87.00888	1.2
88.25858	0.6
88.98806	100.0
89.02448	4.5
89.11835	0.7
89.99123	1.2
96.96012	15.1
98.95594	0.9
99.00854	0.8
99.04530	2.1
99.92581	7.9
100.93372	1.2
101.02440	3.2
111.00851	0.7
113.02424	1.1
113.64732	0.8
115.07659	6.1
115.92079	19.7
116.92088	0.7
116.92860	10.0
117.03465	2.5
117.25705	0.6
117.71763	0.6
118.66189	0.6
119.05038	1.8
121.03005	1.2
125.02451	2.0
126.90493	1.7
129.01935	2.2
131.03484	1.4
137.02475	0.6
142.94394	3.3
143.03398	0.6
145.02965	8.0
147.02942	1.3
149.00919	1.5
149.04559	2.0
153.01895	0.9
153.83916	0.6
161.04572	0.9
163.04024	1.1
168.04285	0.8
175.04041	1.6
183.06682	0.8
187.04036	1.3
191.01973	2.7
209.03049	1.4
211.03323	0.9
235.11928	0.8
242.96008	4.6
246.92606	1.1
246.97063	2.0
293.08859	3.4
293.13904	1.3
295.74814	0.7
323.08023	0.8
337.13013	4.1
379.16046	1.3
438.99582	3.3
469.11917	5.1
469.23083	1.0
469.29959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61895	0.2
57.03448	0.5
59.01377	0.6
61.62862	0.2
62.18103	0.2
69.39735	1.6
69.40141	0.4
71.01385	0.7
79.95733	2.1
85.02951	6.5
89.02430	0.4
96.96014	100.0
98.20671	0.2
103.00375	0.3
129.02002	0.4
130.17244	0.3
133.01398	0.5
135.04527	0.2
136.31949	0.2
147.03041	0.4
164.46541	0.2
173.12315	0.2
188.08223	0.2
191.01997	2.2
196.49452	0.2
209.03026	16.5
371.06265	1.9
414.65521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	5.2
59.01381	25.9
61.98832	21.5
68.55016	4.0
70.31068	4.5
71.01383	13.7
78.95913	6.5
85.02937	35.7
89.02442	5.6
96.96021	20.1
98.20331	6.4
101.02444	9.9
113.02470	5.0
114.17300	4.1
121.02957	8.3
129.01921	12.1
142.46295	4.6
147.02962	5.8
151.00386	4.1
152.99583	5.2
191.02007	4.4
197.11813	5.9
205.12529	4.9
209.03070	10.3
230.47403	4.6
243.02930	5.1
255.02901	14.3
271.02426	35.5
271.05722	7.9
300.02722	100.0
301.03360	17.1
330.98758	4.8
433.07657	85.2
469.14655	14.4
469.20792	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	469.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67449	0.1
57.03452	0.8
57.27983	0.1
59.01370	0.7
68.99790	0.1
70.02599	0.5
71.01378	0.8
72.99306	0.2
75.00900	0.1
78.95900	0.1
79.95738	2.2
83.86049	0.1
84.02132	0.2
85.02949	7.5
87.00851	0.2
89.02451	0.4
96.96010	100.0
97.95945	0.3
98.20087	0.3
98.20651	0.2
111.00825	0.3
126.90508	2.8
129.01927	0.8
133.01418	0.7
135.04495	0.3
147.02988	0.5
173.00893	0.2
179.03511	0.1
190.96758	0.1
191.01979	3.6
209.03015	15.9
210.03395	0.3
228.04823	0.1
235.02652	0.1
257.00269	0.1
309.32162	0.1
327.74576	0.1
353.05215	0.2
371.06158	2.0
372.06476	0.2
433.84024	0.1
463.01044	0.1
469.04169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43811	0.6
56.59507	0.5
57.03440	2.1
59.01385	5.0
61.98828	6.4
66.56317	0.6
68.20702	0.6
68.99834	0.7
71.01381	3.4
71.40748	0.9
72.99301	4.8
75.00844	0.6
79.95732	0.9
82.69476	0.6
82.95424	1.1
83.01373	1.0
85.02952	7.7
85.86031	0.5
87.00890	0.7
87.37128	0.6
88.98819	1.7
89.02431	0.9
95.69577	0.6
96.96009	10.1
98.95593	5.8
98.96441	0.9
99.00881	1.9
99.04530	0.9
99.44780	0.6
99.92586	47.7
100.92626	1.8
100.93374	7.0
100.93888	0.7
100.98788	4.2
101.02452	2.5
101.82345	0.6
103.00296	0.6
111.00868	0.8
115.07665	1.5
115.92079	100.0
116.92094	3.7
116.92857	16.0
117.03472	10.2
119.05035	6.0
119.87485	0.6
121.02972	2.6
123.04491	0.9
125.02423	1.0
129.01955	1.1
130.94453	1.2
132.92331	1.0
134.03778	4.6
141.93610	2.1
142.94446	5.3
143.86652	0.6
145.02962	29.4
146.03281	0.8
147.03003	0.9
147.04414	0.6
149.02490	0.9
151.00349	1.1
156.92267	0.9
159.04547	2.0
161.06094	0.8
163.04024	4.5
169.93127	0.9
173.06271	0.7
175.04005	0.9
184.95511	2.0
187.04030	3.6
191.02007	1.1
192.02309	0.7
197.04593	1.2
200.96463	0.8
203.03488	1.0
209.03052	1.4
215.95222	0.9
216.94348	1.0
216.96153	1.2
217.96669	1.8
218.97523	2.3
223.94704	0.6
230.97575	1.1
232.95425	1.6
234.97054	3.5
242.95988	24.4
243.96228	1.4
244.95490	2.3
245.96191	2.1
246.97011	13.6
247.97212	1.2
250.96529	1.0
260.94809	1.4
260.98645	1.1
261.95737	1.7
274.96588	2.7
278.96045	8.9
279.96042	0.9
281.42444	0.6
291.05054	1.1
298.96539	1.0
323.07898	1.0
324.58279	0.7
330.99234	1.4
332.53400	0.6
337.13028	0.7
388.99670	24.2
389.99957	2.1
469.12286	1.7
469.22839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43476	0.8
57.03443	1.8
59.01379	6.9
60.99296	1.3
61.98832	26.7
68.99841	1.3
69.99772	1.5
70.00175	2.0
71.01377	5.8
72.99310	5.2
79.95741	2.9
83.01390	1.3
85.02950	8.7
88.05943	0.8
88.98804	7.7
89.02468	3.3
96.96019	16.5
98.19958	1.7
98.20609	1.7
98.95613	3.7
99.00896	1.7
99.92585	43.7
100.92631	2.4
100.93376	6.1
100.98798	3.1
101.02443	3.1
111.00864	2.1
113.02428	1.1
115.07646	3.7
115.92077	100.0
116.92084	3.8
116.92863	17.1
117.03474	7.1
117.92837	0.9
119.05043	7.8
121.02931	2.5
125.02461	1.9
126.90434	1.1
129.01974	1.8
130.94408	2.4
131.03459	0.9
134.03743	3.6
141.93661	2.5
142.94414	3.5
145.02954	25.7
146.33662	1.0
156.92339	1.5
159.04518	1.2
161.04477	1.2
163.04001	3.6
169.93109	1.3
184.95483	1.2
187.04012	3.0
191.01976	1.8
209.03026	2.3
216.96025	1.0
217.96700	2.0
218.97438	2.2
230.97481	1.2
232.95444	1.1
234.96974	2.9
242.95981	28.1
243.96153	2.4
245.96161	0.8
246.97070	12.1
247.97253	0.9
250.96594	1.5
260.94867	1.2
260.98703	1.0
272.91006	1.0
274.96439	2.5
278.96051	8.3
285.08707	1.2
293.08820	1.3
307.17670	1.0
330.99197	1.8
342.62466	0.9
349.33893	1.0
388.99677	21.9
389.99973	2.3
469.12296	3.6
469.33597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49978	0.3
57.03449	2.6
59.01381	6.4
60.01708	0.3
61.98829	32.5
71.01378	1.5
73.02943	1.2
75.48318	0.3
78.95909	0.5
83.01393	0.6
85.02942	3.5
87.00858	0.4
96.96015	3.1
99.00887	0.3
99.04516	2.6
99.92586	9.0
101.02452	1.7
116.92860	100.0
117.01935	2.5
117.92889	4.4
125.02482	0.9
126.90475	0.4
126.99549	0.4
128.03531	0.3
129.01917	0.6
135.04555	0.3
139.71269	0.4
147.03040	0.4
157.06479	0.3
161.04633	0.3
191.01961	0.3
229.16168	0.4
239.12845	0.5
244.03995	0.4
247.13603	0.3
284.03418	0.3
347.49149	0.3
407.18951	0.8
409.20642	0.4
437.15009	0.4
469.17572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98831	100.0
69.36678	2.4
71.01385	0.3
74.00713	1.0
79.15748	0.3
80.96661	0.4
82.68871	0.3
85.02974	0.7
89.02475	0.4
96.96011	3.7
96.96532	0.4
98.20439	1.2
98.95602	0.3
99.92593	2.4
115.92081	2.6
116.92867	3.4
125.21418	0.3
134.03735	0.4
136.00716	0.8
168.11218	0.5
172.47940	0.3
191.92451	0.3
235.02748	0.7
255.11449	0.6
257.13065	0.9
278.95920	0.4
408.21924	0.6
468.04785	0.5
468.13367	0.4
469.04272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07692	0.5
57.03448	21.0
59.01376	14.9
59.01673	0.3
61.98829	100.0
69.93951	1.1
69.94349	1.2
71.01367	3.4
73.02949	2.1
82.27268	0.6
83.01397	0.7
85.02950	1.4
89.02437	4.2
96.96006	0.9
98.19931	0.9
99.04516	21.5
100.04878	0.6
101.02442	8.9
106.12077	0.6
107.08954	0.7
113.02434	1.7
119.03520	1.6
119.86060	0.5
123.04533	1.1
125.02453	6.8
131.03520	0.7
143.03506	1.3
149.04549	1.0
161.04588	1.7
176.71956	0.5
179.05615	1.1
213.08923	0.6
221.06732	0.9
227.03467	0.9
251.06250	0.5
255.03053	2.4
256.03387	1.3
261.13483	1.1
284.03195	2.8
285.03836	3.9
286.04309	2.6
303.14499	1.3
343.17767	1.1
383.43372	0.5
405.17575	10.8
405.22479	0.8
406.18542	1.1
428.28433	0.6
429.27631	0.5
431.09528	3.0
432.10187	4.8
433.10574	0.8
469.12155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	16.2
59.01379	12.4
61.98830	100.0
63.21381	0.3
64.10206	0.4
69.68162	1.8
69.68565	0.7
71.01372	2.1
72.99300	0.3
73.02957	0.5
83.01395	1.1
85.02954	2.7
96.96032	0.6
99.04517	15.3
101.02434	5.8
101.03024	0.5
111.00897	0.5
111.35818	0.4
113.02470	1.3
125.02459	3.8
139.67477	0.4
143.03555	1.4
161.04594	1.1
168.31528	0.4
191.02072	0.5
209.03067	0.6
261.13446	5.4
263.12534	0.4
276.06104	0.7
303.14484	2.5
306.10654	0.6
343.17654	1.3
380.99149	0.4
405.17618	15.6
406.18066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01380	4.9
60.01702	0.3
61.98831	100.0
69.17229	1.0
69.17641	2.0
71.01408	0.5
79.83360	0.3
85.02961	1.2
96.95992	0.3
98.20689	0.6
99.04527	0.7
101.02454	0.4
115.54243	0.3
125.02479	0.4
126.90525	2.0
133.26636	0.3
137.09666	0.3
161.04613	0.6
203.14529	0.4
235.27924	0.3
247.13579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01381	14.9
60.01723	1.5
61.98830	100.0
68.87748	0.4
70.62041	1.2
71.01376	0.9
85.02940	3.0
86.03278	0.4
92.04448	0.4
96.96021	0.8
99.04536	1.2
101.02467	1.1
113.02382	0.4
116.92841	2.6
124.64497	0.4
125.02422	0.5
126.90567	0.5
135.04575	0.6
191.02042	0.7
192.02303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	42.4
59.01110	1.6
59.01382	20.9
61.98820	1.5
62.84430	1.0
65.61469	1.1
69.34593	7.6
71.01368	6.1
73.02935	2.4
74.74590	1.0
85.02946	2.4
89.02451	3.4
93.53625	0.9
96.95972	1.1
98.95618	1.6
99.04517	18.2
101.02451	12.2
125.02455	8.2
145.07733	3.5
148.72174	1.3
160.06406	10.8
161.04532	9.6
161.07198	40.0
173.10791	1.7
175.07210	1.5
175.08759	30.4
176.09055	1.5
185.10818	2.0
187.08821	6.0
189.06696	72.2
190.07048	1.6
201.10341	6.7
203.08252	33.3
203.11823	6.6
204.08534	1.5
209.03033	1.7
229.09805	16.3
277.11929	2.4
305.11423	59.2
306.11722	3.7
323.12466	100.0
324.12845	5.2
365.13568	13.7
367.12296	1.1
405.16476	2.7
435.41327	1.1
467.16821	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	467.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03448	26.8
58.00615	0.9
59.01381	27.5
61.98830	13.2
68.99802	0.8
70.99503	1.0
70.99832	1.3
71.01005	1.4
71.01379	13.6
72.99306	2.7
73.02932	1.8
75.00856	1.4
80.91684	1.3
81.03500	0.9
83.01416	1.8
84.02169	1.7
85.02949	54.9
87.00872	1.7
88.98806	2.3
89.02447	8.7
96.96010	3.7
99.04521	14.9
101.02445	9.7
103.00339	1.3
111.00865	3.3
119.03532	1.2
120.04507	0.9
125.02447	8.7
126.02718	0.8
126.90472	0.9
129.01950	5.6
133.01402	3.1
135.04555	1.1
145.07712	4.3
147.03003	5.4
160.06407	14.6
160.64302	0.9
161.04559	6.9
161.07201	42.6
173.00885	1.7
173.10789	2.0
175.08751	23.1
176.09010	1.5
179.03488	1.5
185.10828	2.6
187.07529	2.6
187.08855	2.4
189.06694	69.5
190.07028	1.8
191.01970	21.6
197.04602	0.9
201.10342	7.5
202.06329	1.1
203.08261	27.8
203.11908	7.4
204.08571	1.9
209.03015	64.5
210.03442	1.2
217.05196	0.9
229.07726	1.2
229.09799	15.8
231.10159	1.0
275.09198	1.5
277.11798	1.5
305.11438	39.5
306.11667	2.2
323.12460	100.0
324.12711	7.1
365.13519	6.4
405.16486	1.4
467.16360	2.1
467.22287	1.2
467.28430	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
57.03442	13.0
59.01381	23.1
61.98836	13.1
63.77769	1.3
71.01382	7.1
71.52673	2.0
71.53047	1.4
72.99303	4.2
73.02942	2.6
73.82605	1.4
73.97129	1.4
75.00870	2.7
78.70977	1.2
83.01398	3.0
84.02163	3.1
85.02953	100.0
86.03303	1.4
89.02412	1.2
96.95998	1.7
99.00875	1.7
101.02441	3.3
103.00314	1.5
111.00894	5.3
125.02439	1.6
129.01927	9.1
133.02943	2.0
134.03752	3.7
135.04474	2.2
136.05310	1.6
137.02417	3.2
147.02998	15.2
153.83057	1.3
160.95645	1.5
161.02409	2.8
161.06053	2.1
161.72195	1.3
171.10234	2.1
173.00890	1.5
178.02673	3.4
189.05588	5.6
191.01974	34.6
201.12823	1.4
209.03046	2.5
326.06326	2.4
370.05530	7.6
431.23148	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25457	1.0
57.03444	3.9
59.01379	100.0
61.98833	2.1
71.01377	11.3
71.50504	1.0
78.91906	1.9
83.01371	1.4
85.02953	13.9
87.00857	1.4
88.98804	2.4
89.02445	12.9
96.96010	4.5
101.02446	7.6
105.01913	1.3
107.88693	1.2
109.02963	1.1
113.02448	5.1
119.03496	6.4
125.02472	9.8
126.90500	1.4
134.03792	1.6
135.04504	3.7
143.03514	2.6
147.02956	1.4
149.02446	2.2
149.04523	1.5
149.09784	1.4
151.00328	1.4
153.01945	2.4
161.02443	3.4
161.04535	3.4
167.10771	4.8
175.03999	1.9
177.02074	1.3
178.99774	2.2
179.03481	3.2
179.05638	6.4
189.01656	1.6
191.00504	1.2
191.01875	6.3
201.01770	3.4
275.05603	2.1
285.03986	5.3
303.05087	8.4
321.04227	1.5
337.42825	1.2
375.03348	7.5
405.21286	9.7
465.23730	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	467.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
57.03446	14.3
59.01378	18.1
60.08706	0.7
60.99277	0.7
61.98835	4.1
65.45821	0.7
65.65695	0.6
68.99817	1.6
71.01379	12.1
71.51846	0.8
72.99303	3.1
73.02943	1.3
75.00871	2.8
80.91692	2.1
83.01384	2.6
84.02143	1.9
85.02949	71.5
86.03287	1.1
87.00887	1.7
88.98805	3.4
89.02457	4.6
96.96007	2.9
99.00932	0.8
99.04519	3.8
101.02433	3.5
102.02737	0.7
103.00360	1.2
111.00893	3.3
113.02445	0.9
115.00376	1.0
121.16288	0.6
125.02440	2.4
126.90491	0.8
129.01959	9.0
133.01422	3.7
135.04480	1.1
145.07722	0.8
147.02977	7.1
148.31978	0.7
160.06442	3.7
161.02444	3.8
161.04544	2.8
161.07182	10.1
169.12379	1.3
171.10272	3.7
173.00897	2.1
175.08731	5.4
185.10922	0.8
187.07500	4.1
189.06693	15.9
191.01974	30.4
192.02368	0.9
197.04565	1.1
201.10364	1.5
203.08266	6.8
203.11882	1.2
209.03015	100.0
210.03349	2.7
225.26730	0.7
229.09837	4.7
231.10303	2.1
268.07590	0.7
275.09232	1.2
305.11407	10.2
306.11868	0.9
317.49512	0.7
323.12473	26.7
324.12851	1.8
365.13522	2.1
377.00940	0.9
400.03830	0.8
407.23071	1.2
467.15848	2.2
467.21249	3.0
467.28116	1.1
468.21939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36589	0.3
57.03439	0.4
59.01379	100.0
60.01727	0.8
61.98827	1.5
64.05898	0.3
71.01361	0.5
71.51920	0.4
83.01413	0.3
85.02974	0.8
89.02465	0.3
142.35829	0.3
150.88277	0.3
193.12239	0.3
264.27829	0.3
303.04080	0.5
405.16980	0.7
465.19885	0.7
465.27234	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24177	0.8
57.03445	5.5
58.00597	1.4
59.01380	100.0
61.98820	1.0
63.63883	0.7
70.50418	2.1
71.01382	20.6
73.02954	1.5
78.91897	0.7
82.88950	0.7
83.01409	0.6
85.02956	5.8
85.67728	0.7
87.00877	0.8
89.02444	27.4
95.01376	1.8
95.35503	0.7
96.96017	1.0
97.02956	1.0
101.02444	11.4
110.93046	0.7
112.05347	0.9
113.02456	8.7
116.92876	2.5
117.76428	0.7
119.03490	11.0
125.02426	1.3
131.03552	1.0
134.07399	1.6
135.04558	3.0
137.09729	1.5
139.07646	1.4
143.03555	2.8
149.04565	1.3
149.09724	17.0
153.09172	5.6
161.04549	7.8
167.10767	34.9
179.03580	1.6
179.05598	13.0
191.01921	0.8
209.11923	1.6
225.14931	7.5
243.16084	4.4
244.18904	0.8
303.05280	2.3
377.24435	0.7
405.21262	33.2
406.21793	3.4
465.23300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03454	2.9
58.00588	1.9
59.01380	91.8
61.98818	4.4
65.00322	2.6
71.01382	27.9
71.05051	0.8
71.06896	1.4
72.99329	1.8
73.02956	4.1
81.03482	0.8
83.01403	2.4
85.02933	6.4
87.00900	1.4
87.01540	0.6
89.02443	33.0
91.31198	0.7
95.01398	2.5
95.05022	0.6
97.06579	0.9
99.00829	0.7
99.04526	7.2
101.02445	14.7
107.01390	5.1
107.08666	1.2
108.02218	0.8
109.03001	1.0
109.06598	1.5
112.55095	0.7
113.02462	9.8
117.05257	0.8
119.03496	14.0
121.02962	4.7
121.06631	1.8
125.02448	1.7
131.03511	1.1
143.03514	2.6
149.02368	1.0
149.04480	1.0
151.00369	18.0
161.04558	2.0
163.00369	1.6
169.01285	0.8
178.99835	9.3
179.05605	4.5
189.12817	11.4
190.13245	0.9
191.10703	0.9
207.12033	1.5
207.13895	22.1
208.14256	1.7
209.11827	16.7
211.03899	0.9
227.03452	1.4
230.05302	0.7
233.11906	2.2
243.03008	4.2
245.04636	0.9
251.12868	6.5
255.02968	8.3
256.03293	1.0
265.14432	5.1
270.99704	1.4
271.02487	19.8
272.03006	2.2
273.03885	0.8
283.15494	100.0
284.15817	6.2
300.02737	28.9
301.03510	49.6
302.03830	2.6
381.82315	0.8
410.41187	0.7
419.22833	1.5
445.07742	9.2
463.08783	27.8
463.21616	21.8
464.09048	1.9
464.22220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.0
58.00600	1.1
59.01379	100.0
60.99303	0.8
61.98832	15.0
62.39538	0.7
66.25734	0.7
68.85817	0.8
71.01382	19.5
72.99331	1.2
73.02946	4.6
77.09637	0.7
81.03497	0.9
83.01397	2.8
83.05039	1.3
85.02948	11.0
86.03336	1.1
87.00906	2.5
88.98806	5.5
89.02449	10.6
95.01410	0.9
96.95992	6.9
96.96964	0.9
97.02962	1.3
99.00910	2.7
99.04530	1.0
101.02438	14.0
106.92316	0.7
109.02981	0.7
111.00914	1.2
113.02467	8.8
115.00345	0.8
116.92868	1.0
119.03514	5.1
123.04530	1.0
125.02500	1.4
125.06098	1.5
129.01988	2.0
131.03569	0.8
135.04539	1.0
141.09244	1.0
143.03539	2.2
147.03073	1.1
153.09265	1.4
159.03026	1.7
161.04552	18.2
165.09233	1.2
167.10785	1.0
179.03726	1.0
179.05675	4.9
191.01907	1.6
202.43068	0.8
205.12526	0.9
209.03120	1.0
241.14413	1.1
271.02560	1.5
300.02817	1.6
301.03391	1.3
325.16498	1.0
385.18787	1.3
403.19678	20.5
404.20129	1.2
463.08502	1.4
463.22247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49412	0.4
55.01869	0.5
57.03442	1.7
59.01379	14.2
60.18009	0.3
61.98825	4.9
63.02398	0.7
64.19501	0.3
65.00317	0.8
67.44324	0.4
71.01382	6.5
71.51440	0.4
72.99306	1.1
73.02924	1.4
80.02664	0.8
80.84162	0.4
81.03442	1.3
83.01388	2.2
83.05023	4.4
84.02162	0.8
84.35866	0.4
85.01410	0.4
85.02947	4.1
87.00867	1.1
88.98782	0.4
89.02441	4.3
91.01876	0.5
93.03437	0.4
94.98098	0.7
95.01392	0.4
95.05032	0.5
96.96004	1.5
97.02935	0.4
99.04504	1.1
101.02422	4.8
103.58152	0.4
107.01373	1.2
108.02154	0.8
109.02965	0.8
111.00864	0.8
113.02460	2.2
119.03476	1.4
121.02956	9.1
122.03523	0.4
123.00926	0.6
123.04491	0.5
124.01649	0.4
125.02441	0.8
125.05991	0.4
126.90530	0.5
128.03468	0.5
129.01949	1.1
131.03535	0.4
135.00783	0.8
135.04491	0.7
135.08116	0.5
137.02470	0.5
138.03206	0.6
139.57651	0.4
143.03516	0.5
148.01657	0.7
149.02415	3.8
149.04515	0.5
150.03200	0.9
151.00368	6.1
153.01962	0.5
153.05568	4.1
161.02380	0.5
161.04536	1.8
163.00383	1.5
163.11250	3.2
164.01212	0.6
164.04799	0.7
165.05525	1.3
165.12814	2.2
166.99928	0.4
169.01405	0.5
174.03172	0.4
178.99873	3.3
179.05577	0.6
182.02200	1.2
191.01935	0.5
191.10733	1.2
191.22264	0.4
195.06618	0.6
197.04553	13.7
198.04814	0.5
199.03972	0.4
203.03497	0.5
209.11815	100.0
210.12163	4.0
211.03996	0.6
226.02652	1.1
227.03511	2.3
227.12871	17.8
228.13148	0.8
229.05165	0.6
235.08258	0.6
243.02968	6.9
244.03313	0.6
245.04488	0.6
253.09230	11.7
254.02141	1.9
255.02962	17.6
256.03442	0.6
271.02463	39.7
272.02994	3.6
273.03784	0.6
283.02408	1.0
285.03864	0.6
299.02002	0.9
300.02731	67.5
301.03455	29.2
301.06531	0.6
302.03830	1.2
321.69861	0.5
331.17566	0.7
386.68591	0.4
400.15146	0.6
403.19183	0.5
403.23965	0.5
415.17737	4.2
419.19217	1.6
463.08795	54.9
463.26080	4.7
464.09039	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27584	1.0
57.03445	1.0
59.01381	100.0
64.33215	1.2
71.01383	5.6
71.50602	1.2
71.51015	1.4
73.02950	2.0
85.02959	3.3
87.00871	4.6
87.04506	1.5
88.98824	1.4
89.02452	4.2
96.96008	3.4
98.03746	4.2
101.02448	4.9
113.02463	2.1
115.04054	1.2
123.08163	2.3
125.06006	1.1
129.01952	2.3
141.09221	23.3
144.34688	1.1
160.78120	1.1
161.04547	4.0
161.07576	1.1
165.09238	1.2
201.26935	1.1
209.02925	1.2
241.14326	2.3
255.12413	4.8
307.14026	1.0
327.80600	1.1
411.40057	1.2
463.09436	2.1
463.21899	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	463.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63872	1.9
57.03444	36.3
59.01380	62.6
61.98838	19.5
64.61987	2.3
69.40324	1.9
71.00182	4.4
71.01367	22.2
72.99284	4.0
73.02944	3.9
74.35233	2.3
74.94438	2.2
78.32642	2.2
83.01379	5.1
83.05014	3.3
85.02935	9.5
86.67943	1.9
88.98792	3.6
89.02443	9.3
95.28541	1.8
96.96033	3.6
98.20383	3.1
99.00868	2.3
99.04517	29.0
101.02442	20.7
107.01409	5.8
113.02424	7.8
119.03497	4.5
121.02939	6.4
125.02400	12.0
126.90500	3.3
135.00874	2.6
143.03398	3.6
151.00369	18.2
161.04602	4.7
162.93437	2.0
163.00336	4.6
178.99834	13.1
195.06393	1.9
209.11743	5.2
227.03499	6.0
227.12807	2.9
228.49522	2.0
243.03061	11.1
245.04532	2.6
254.02122	3.3
255.02968	28.5
271.02478	66.9
272.02951	6.0
283.02414	6.2
283.11676	7.0
300.02722	100.0
300.52939	2.4
301.03500	88.9
302.03793	6.5
325.12650	3.7
363.16318	2.1
375.72116	1.9
407.17822	2.3
419.22772	6.3
427.16205	16.2
445.07736	40.2
445.24548	3.2
446.07770	2.7
463.08749	61.3
463.18597	2.4
463.25549	14.8
464.09106	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	463.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.8
59.01381	34.9
61.98808	7.3
65.00293	2.4
70.89630	3.8
71.01382	13.6
72.99283	3.5
73.02930	3.0
83.01369	3.3
85.02953	4.1
86.60431	1.8
87.26870	1.7
88.98795	4.0
89.02448	10.1
91.97253	1.7
96.96017	3.3
99.04507	11.1
101.02440	11.2
106.62531	1.8
107.01350	4.5
108.02159	2.3
109.02898	5.7
113.02439	4.9
118.81123	1.6
119.03445	3.8
121.02929	4.0
125.02439	8.5
151.00363	20.1
163.00363	4.4
178.99861	9.6
209.11737	6.6
226.02701	2.8
227.03439	3.7
227.12781	4.4
239.16418	2.4
243.02966	13.6
254.02359	2.3
255.02966	25.4
257.12872	3.2
271.02435	66.0
272.02844	5.7
273.04260	2.3
283.02356	3.0
283.11682	3.5
293.08624	3.7
300.02740	100.0
301.03503	98.6
301.11392	2.5
302.03833	4.4
316.02167	2.9
409.26132	2.0
419.22504	5.5
427.15778	3.6
445.07803	36.9
446.07843	4.9
463.08517	63.9
463.13873	8.5
463.25919	12.2
464.08905	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	463.0879
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
65.00327	0.6
69.41303	1.2
69.41717	1.4
83.01371	0.7
107.01372	1.8
108.02189	1.2
109.02938	0.9
117.76326	0.3
119.36097	0.3
119.91587	0.3
121.02925	1.7
123.40587	0.3
135.00890	1.0
148.01683	1.1
151.00371	9.1
152.32547	0.3
163.00362	1.5
164.01118	0.6
178.99821	5.2
199.03903	0.9
201.01788	0.4
210.48830	0.4
215.03453	0.6
226.02698	1.1
227.03490	1.9
228.03996	0.5
229.04984	0.5
243.02974	7.3
244.03551	0.5
245.04524	1.1
254.02202	2.1
255.02988	19.4
256.03473	0.5
271.02463	42.9
272.02988	3.6
273.04059	1.5
277.42807	0.4
283.02472	1.3
299.02005	0.9
300.02740	100.0
301.03461	42.3
302.03989	2.1
316.02127	1.1
343.04498	0.4
382.39880	0.3
399.73608	0.3
463.08801	71.5
464.09073	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	463.088
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03425	1.5
59.01378	6.5
61.95507	0.5
61.98814	1.8
63.02390	1.0
65.00313	1.9
71.01369	2.0
71.52913	0.4
83.01395	2.1
85.02950	1.8
88.98799	0.7
89.02438	0.9
93.03438	0.6
96.96040	0.6
99.04522	1.3
101.02436	1.6
107.01391	5.7
108.02179	1.1
109.02943	3.8
113.02432	0.5
114.95114	0.4
119.01405	0.6
119.03539	0.5
121.02957	4.2
123.00849	0.5
125.02426	1.4
134.66399	0.5
135.00862	1.3
137.02429	1.0
147.04547	0.4
148.01668	1.5
149.02454	1.0
151.00368	21.7
152.01021	0.6
159.04494	1.2
161.06052	0.6
163.00368	5.4
164.01140	1.3
169.01387	0.8
173.06088	0.5
173.25375	0.4
175.04062	0.6
178.99843	10.3
180.00066	0.5
185.06090	0.5
187.03944	1.0
193.01309	0.5
198.03198	0.5
199.03986	1.3
201.05606	1.0
203.03477	1.1
209.11807	1.7
211.03932	1.8
212.04791	0.6
214.02527	0.6
215.03412	0.7
216.04346	0.7
226.02689	1.7
227.03491	4.1
227.12851	1.6
229.05020	1.1
239.03462	0.8
242.02234	0.5
243.02954	10.6
244.03525	1.4
245.04485	3.3
253.09369	0.5
254.02170	2.3
255.02956	21.0
256.03381	1.3
271.02457	49.1
272.03021	5.0
273.03952	2.6
283.02472	2.1
285.04160	0.7
299.01993	4.4
300.02731	71.0
301.03497	100.0
302.03934	6.4
316.02176	1.6
317.03024	1.2
445.07727	52.7
446.08011	4.8
463.08798	33.2
464.09018	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	462.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89540	0.9
52.08064	1.1
56.42423	1.0
57.03452	6.1
59.01380	19.8
60.01731	1.7
60.17961	1.1
61.98831	57.1
65.00319	1.9
70.47185	0.9
71.01377	7.7
73.02940	3.5
74.00708	1.8
76.33115	0.9
80.91688	3.8
82.95419	8.9
83.01383	4.6
85.02953	17.2
88.98795	1.4
89.02435	3.5
96.96011	1.8
99.00887	3.2
99.04487	1.4
99.92600	1.5
101.02443	4.1
101.28617	1.0
107.01382	2.5
108.02155	1.7
109.02979	2.3
111.00880	2.7
113.02433	2.5
119.03488	1.4
121.02946	3.1
129.01941	7.6
133.02945	15.6
134.03763	5.6
135.00784	1.2
135.04501	9.1
137.02444	3.1
143.03493	3.5
147.03101	1.3
149.02502	1.6
149.06056	2.1
151.00389	9.2
161.02438	70.4
163.00401	2.2
173.00911	6.0
178.02699	3.9
178.99832	5.7
179.03503	6.6
179.05551	2.2
191.01961	3.2
193.05098	9.6
207.06639	1.7
219.02965	1.6
227.03462	3.4
229.01390	1.0
243.02924	11.4
245.04466	2.2
251.05573	4.6
251.11339	2.1
255.02959	29.9
271.02484	53.9
272.03030	1.9
300.02747	100.0
301.03525	44.8
335.04053	6.1
367.06641	10.4
399.09427	7.7
440.14682	1.1
463.08826	81.8
463.15018	2.8
463.21710	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03436	3.9
59.01378	63.9
60.99299	13.8
61.74477	1.5
61.98825	9.4
69.40720	11.2
71.01379	20.0
72.99286	2.2
73.02934	3.5
75.00860	4.7
83.01380	2.7
85.02946	17.5
87.00859	4.5
88.04070	2.8
88.98806	100.0
89.02441	32.9
89.99117	2.1
96.96002	3.3
99.04487	2.1
99.92550	1.9
101.02457	12.1
105.45717	1.5
107.13194	1.8
109.06550	5.0
111.04510	1.7
113.02438	8.0
116.92841	1.9
117.03441	3.0
119.03475	7.9
129.01894	4.7
135.04434	2.3
143.03429	3.3
151.00330	2.0
161.04535	3.0
163.00313	2.8
163.11281	3.0
179.05566	3.5
191.01982	3.4
207.10252	18.4
225.11281	6.9
227.03438	4.0
243.77393	1.7
253.09242	4.4
255.02890	10.1
269.04294	2.5
271.02414	2.3
283.02469	41.7
284.03107	7.2
285.04056	4.1
297.03952	8.7
298.01001	1.9
298.04807	3.6
299.02054	2.4
299.05603	4.0
301.03421	3.5
319.11215	1.6
343.95563	1.8
349.09100	2.0
380.85645	1.7
401.21744	6.6
460.37302	1.7
461.11215	37.9
461.20218	5.4
462.11227	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49939	0.4
57.03450	22.1
59.01382	11.2
61.31092	0.5
69.41132	0.4
69.66582	0.5
70.68923	1.0
70.69265	0.6
71.01388	3.6
72.99310	0.6
73.02938	1.4
77.30779	0.4
79.95731	2.9
80.96507	1.4
83.01344	0.5
85.02946	3.2
86.91184	0.4
96.96013	29.6
98.20169	0.5
99.00895	0.7
99.04522	21.1
101.02451	11.0
113.02464	1.7
117.05534	0.5
125.02446	1.4
143.03516	0.4
161.04547	12.5
164.98639	1.3
180.98067	0.5
191.01900	0.8
209.03040	1.6
209.29095	0.5
237.09813	6.3
279.10855	1.2
299.04449	2.8
317.05463	8.5
359.06628	0.6
381.13812	0.9
399.09680	3.4
401.07413	2.1
461.09714	100.0
462.10138	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57878	0.4
55.01875	0.8
57.03452	3.1
57.50711	0.5
58.00597	0.7
59.01380	39.1
60.01727	0.7
61.98817	1.7
63.02382	0.5
65.00330	1.1
70.52380	1.6
70.94540	0.4
71.01381	13.2
72.99308	2.9
73.02946	1.5
75.00874	100.0
76.01217	1.0
81.03468	0.5
82.80939	0.5
83.01394	1.9
84.02152	0.7
85.02950	14.5
86.03323	0.5
87.00884	1.6
89.02450	16.7
95.01392	1.5
96.96017	6.5
99.04539	0.6
101.02442	9.9
107.01388	2.5
111.00864	1.2
113.02443	7.4
117.07158	0.6
119.03499	8.4
121.02950	1.4
123.04493	0.7
125.02477	1.5
126.67093	0.5
129.01956	3.7
131.03510	1.0
137.02446	0.6
143.03554	1.2
145.02943	0.7
147.02988	1.3
149.04518	0.5
151.00359	6.3
153.05524	0.6
159.08195	1.3
161.02449	0.8
161.04602	1.6
165.09227	1.8
165.15309	0.6
167.03426	0.9
168.77425	0.6
178.99847	2.2
179.05602	4.7
182.02197	1.0
191.01941	1.6
191.10806	1.2
193.01491	0.6
195.10168	0.6
197.04530	2.7
203.10681	0.7
221.11826	1.5
241.58372	0.4
270.51886	0.6
278.51913	0.8
292.01300	0.7
292.51273	0.6
298.01337	0.7
312.04181	0.7
315.01566	1.5
331.19656	0.5
339.14474	9.3
340.14978	0.7
341.02835	1.1
352.04971	0.6
357.15530	26.0
358.15826	2.5
363.16708	1.5
374.04489	0.8
381.05444	0.9
388.04398	1.4
401.18082	3.6
461.07129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26109	0.6
55.01872	1.0
57.03447	6.5
59.01370	5.7
69.86835	3.4
71.01376	6.8
72.99312	2.8
73.02940	0.9
75.00868	2.2
78.95905	1.7
83.01373	1.2
84.02180	0.9
85.02950	51.8
86.03293	1.4
87.00865	2.9
87.92538	2.6
88.98811	4.8
89.02431	3.4
96.96006	8.3
96.96928	1.2
99.04581	0.8
101.02461	1.0
103.00372	1.0
103.92020	1.9
104.92860	0.8
111.00864	4.2
113.13351	0.7
115.00394	1.3
118.94196	1.0
119.30642	0.6
129.01967	3.2
130.55139	0.7
133.01404	5.0
135.04514	2.2
145.95305	0.9
147.02989	4.1
148.90947	0.8
159.27927	0.7
160.91685	0.9
173.00883	1.4
178.94977	0.9
178.96423	1.0
179.03503	0.8
191.01962	24.1
191.03671	1.4
209.03018	100.0
210.03377	2.2
234.98318	1.2
266.89804	0.8
269.57285	0.8
329.88278	0.9
332.95392	1.2
341.10870	1.2
353.05127	1.0
370.90860	0.8
371.06287	5.2
419.90375	0.8
461.09695	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
70.75935	0.3
70.99008	0.3
70.99326	0.3
78.13743	0.2
107.05032	31.9
108.05373	0.6
147.08174	0.8
162.01964	0.3
163.11287	100.0
164.11627	3.5
187.40382	0.2
238.09784	0.3
239.54842	0.2
280.14703	0.3
283.17029	27.7
284.17374	1.9
295.17017	15.7
296.17352	1.1
458.28012	0.3
459.29044	89.1
460.29419	9.5
460.36026	0.3
464.05756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03442	0.6
57.06643	0.2
57.44300	0.1
58.00600	0.3
59.01379	6.6
61.98827	1.9
67.62896	0.1
69.03454	2.2
69.15679	0.7
69.16100	0.9
70.03791	0.1
71.01381	3.8
71.05012	0.7
72.99297	0.1
73.02955	0.9
73.16519	0.2
79.21825	0.1
81.03452	0.2
83.01392	0.4
83.05033	0.5
85.02947	1.1
85.06584	0.6
87.00888	0.5
89.02441	2.9
93.03439	0.3
95.01386	0.3
95.05009	0.4
96.96041	0.2
97.02935	0.2
97.06545	0.2
99.00874	0.3
99.92593	0.3
101.02439	3.9
107.05035	0.2
108.05807	0.2
109.02900	0.2
109.06576	0.6
111.00897	0.2
111.08121	0.2
113.02439	1.7
116.92841	0.8
117.18352	0.2
119.03492	1.0
120.20751	0.1
125.02500	0.2
125.09751	0.6
126.90527	0.2
133.05154	0.2
135.11848	0.2
143.03462	0.3
143.29057	0.1
149.09729	0.6
161.04553	1.5
161.13281	0.3
166.06114	0.1
167.10782	3.2
177.12825	0.5
179.05614	0.5
179.10796	1.4
179.14410	3.5
187.11246	0.3
195.13889	10.2
196.14215	0.3
205.12318	8.9
206.12617	0.4
223.13380	100.0
224.13710	4.8
232.66196	0.2
235.08229	0.7
253.09271	15.9
254.09616	0.6
344.53842	0.1
407.17328	0.1
407.59540	0.2
459.22321	6.7
460.22507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.2
57.03452	0.7
58.00585	0.2
59.01379	8.6
61.98831	1.1
69.03457	2.0
69.20345	0.4
69.20759	0.7
71.01381	4.0
71.05015	0.8
72.99303	0.3
73.02950	0.8
75.00875	0.2
78.38682	0.1
82.06947	0.1
83.01383	0.5
83.05034	0.5
85.02949	1.4
85.06581	0.4
87.00886	0.7
89.02438	3.9
91.04040	0.2
93.03442	0.1
95.01376	0.4
95.05012	0.4
96.96015	0.4
97.02926	0.3
97.06571	0.1
98.19915	0.2
99.00893	0.3
99.92564	0.2
101.02437	4.6
108.05790	0.2
109.06580	0.5
111.08173	0.2
113.02456	2.2
116.74982	0.1
116.92826	0.7
119.03529	1.3
121.10278	0.2
123.08170	0.2
125.02471	0.2
125.09693	0.4
131.03484	0.3
133.05074	0.2
133.10190	0.1
135.11830	0.1
139.03957	0.1
141.09247	0.2
143.03525	0.4
144.91365	0.1
148.82463	0.1
149.09682	0.7
153.09230	0.2
161.04533	1.7
161.13351	0.3
162.93866	0.1
167.10777	3.0
168.11189	0.1
177.12915	0.6
179.05608	0.5
179.10815	1.3
179.14403	3.3
187.11220	0.2
191.01915	0.1
195.13901	9.7
196.14296	0.6
205.12315	9.2
206.12628	0.3
223.13385	100.0
224.13707	5.3
235.08224	0.7
237.14928	0.9
253.09280	17.5
254.09660	0.6
285.37320	0.1
459.13358	0.3
459.22369	5.7
460.22849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
59.01375	12.5
59.11013	0.7
60.21736	0.7
60.99300	16.0
61.98839	4.2
65.00327	6.0
69.38586	5.5
71.01374	2.9
73.02918	0.9
83.01389	2.5
84.02148	0.8
85.02951	15.5
87.00880	1.3
88.00398	1.2
88.98804	100.0
89.02441	17.7
89.99165	1.4
96.95985	0.7
101.02442	1.4
107.01379	6.2
111.02694	0.7
113.02493	0.9
119.03520	1.2
125.02469	1.4
129.01950	1.5
134.04749	4.6
135.63455	0.7
147.02943	1.5
151.00366	19.5
161.04482	0.8
177.01901	2.7
191.01945	9.2
193.01440	0.9
197.04594	0.9
209.03044	3.9
235.02498	1.7
237.07639	0.9
265.06711	0.7
279.15952	1.1
301.42072	0.9
459.10837	5.9
472.25073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	31.1
59.01377	27.4
61.98826	1.3
69.04810	0.4
69.63126	3.1
71.01375	4.0
73.02935	1.4
76.00130	0.4
79.95738	4.6
80.96507	1.6
81.03455	0.7
83.01381	1.2
83.11957	0.5
83.15538	0.5
85.02949	4.9
87.00850	0.8
88.98799	0.6
89.02428	0.5
96.96009	30.5
98.19989	0.8
99.00890	0.9
99.04520	26.3
101.01808	0.8
101.02445	14.9
111.00864	0.6
113.02415	1.7
125.02427	1.9
129.01889	0.8
133.76498	0.6
139.07617	0.8
143.03403	0.6
159.03036	0.5
161.02449	1.1
161.04544	15.1
163.20467	0.5
164.98662	0.7
191.02017	1.1
193.05087	0.5
235.08136	0.9
235.11838	6.8
277.12747	0.7
297.06528	3.1
307.39175	0.6
315.07550	10.7
316.07834	0.8
347.92139	0.5
379.15982	1.0
397.11810	3.5
399.09698	1.4
399.16467	1.0
459.11725	100.0
460.12064	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	459.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00653	0.4
57.03449	30.2
57.59189	0.5
58.03772	0.6
59.01377	11.4
63.64017	0.4
69.87252	1.9
69.87614	0.9
71.01379	2.0
73.02950	1.1
79.95733	4.1
80.96515	1.1
83.01373	0.9
85.02956	3.6
96.96011	31.5
99.00888	0.6
99.04517	24.7
100.04881	0.7
101.01798	0.9
101.02439	12.4
102.02746	0.5
106.50285	0.4
113.02409	0.9
125.02464	1.3
134.04156	0.5
143.03500	0.7
161.04553	11.8
164.98586	0.8
191.01924	1.0
235.11873	7.6
241.00063	0.6
277.12888	0.6
287.20609	0.5
297.06528	3.1
315.07568	13.1
316.07883	0.6
397.11655	4.0
399.09644	2.1
412.25290	0.5
459.11734	100.0
460.12155	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	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69164	0.4
57.03448	4.0
58.37109	0.3
59.01379	100.0
60.01750	0.9
61.98842	1.9
66.60937	0.4
71.01372	3.2
71.51907	0.6
73.02953	1.4
78.91884	4.6
79.95729	0.8
81.03447	0.9
83.01393	1.1
84.02210	0.5
85.02950	12.6
87.00888	0.6
89.02421	1.9
95.01414	0.5
96.96009	6.1
97.62418	0.4
99.00904	0.5
99.04498	0.6
101.02441	2.6
111.00887	0.5
113.02480	1.1
113.06093	0.7
119.03481	0.4
119.05017	0.6
129.01912	2.0
139.07718	0.6
147.03018	2.2
161.04552	0.9
163.04025	0.5
172.97038	0.4
173.00871	0.4
191.01971	4.0
195.10312	0.6
198.24342	0.4
209.03087	0.7
241.00298	1.0
246.11200	0.4
280.24878	0.4
298.10889	0.5
301.05984	0.6
339.14581	1.6
357.15686	1.8
399.16544	4.7
400.17056	0.4
441.15173	0.5
459.03973	1.7
459.12115	4.4
459.19061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	16.4
59.01380	14.0
61.98830	100.0
69.28260	0.5
69.52126	1.2
69.52529	3.1
71.01383	3.2
71.01757	0.9
73.02946	1.1
75.00871	0.8
78.95909	2.9
79.95747	0.5
83.01431	0.5
85.02953	4.2
88.13538	0.5
88.98821	0.8
89.02448	0.6
96.96021	2.1
96.96984	2.4
98.97398	0.6
99.04513	17.9
101.02435	8.1
105.13932	0.5
108.02176	1.4
113.02489	1.3
114.05648	0.6
119.05004	0.8
125.02435	6.6
129.01970	1.0
131.10812	0.6
134.60155	0.6
135.03003	1.5
135.04546	2.0
143.03574	1.1
152.01180	2.0
161.02483	1.4
161.04562	1.3
167.03516	4.3
173.72313	0.6
179.03529	1.7
191.01961	0.6
209.02972	1.1
251.11310	2.8
293.12558	1.6
323.07990	0.7
333.15439	0.6
395.15533	9.2
458.13940	0.6
459.16058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.2
59.01384	10.8
60.99310	15.4
61.98829	48.1
71.01373	9.4
71.33513	1.7
71.33852	3.3
72.99308	2.7
75.00858	2.2
77.91999	1.6
79.88824	1.6
79.95721	2.4
80.96519	2.1
81.80486	1.9
83.01383	3.8
85.02950	51.2
86.03274	2.1
87.00862	2.5
88.98803	100.0
89.02431	3.0
96.96018	12.0
99.04500	6.5
101.02441	3.9
102.85485	1.7
113.02386	1.9
116.92839	2.4
119.05010	7.2
125.02385	2.6
129.01941	1.9
135.02867	1.8
135.04536	3.7
145.02963	4.1
147.02985	3.8
161.02371	2.8
161.04463	2.7
163.03975	6.8
173.00906	1.8
179.03374	2.0
191.01981	26.9
223.04567	57.2
396.15952	2.1
412.76385	1.8
427.44394	1.9
459.07925	4.5
459.14993	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	459.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56602	0.7
57.03437	1.1
59.01382	8.3
61.98833	4.7
66.08576	0.5
71.01390	0.6
75.00866	1.5
76.55270	0.5
78.95901	0.6
85.02960	1.4
98.19844	1.0
98.20529	3.2
99.04494	0.8
102.21404	0.6
105.46617	0.6
109.67947	0.5
113.02458	0.9
116.92867	2.1
121.02960	100.0
122.03265	2.6
122.38120	0.5
136.67719	0.5
180.05879	0.6
181.06586	6.4
187.75063	0.6
205.62169	0.5
225.05574	8.4
225.07614	1.0
269.08234	0.7
295.32034	0.7
313.07181	21.3
314.07483	2.3
324.87555	0.7
357.06262	4.2
399.24127	1.0
401.08749	70.2
402.08994	6.3
459.04498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88961	4.9
57.03448	5.8
59.01378	100.0
61.98830	94.9
71.01385	20.1
73.02983	5.7
75.76663	4.9
83.01398	4.9
83.91060	4.7
85.02953	32.5
87.00877	5.1
87.56545	4.1
89.02440	14.2
89.51582	4.4
96.96039	5.7
98.19863	11.9
101.02448	18.8
113.02483	5.2
170.63458	5.0
171.37050	5.2
191.01999	5.4
209.03036	7.3
274.98129	5.6
283.13446	10.3
335.28061	6.5
421.20975	6.4
426.70767	5.4
457.18246	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	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65551	0.1
65.08399	0.1
70.59356	0.2
71.01376	0.1
94.73821	0.1
94.77280	0.1
98.20674	0.1
99.92585	6.1
100.92725	0.2
100.93363	6.3
101.93436	0.1
113.92636	0.2
115.92078	100.0
116.92084	3.5
116.92863	6.5
117.92563	0.3
132.92346	0.9
142.94437	0.3
155.95200	0.2
172.95464	6.3
173.95581	0.1
191.07506	0.1
199.96713	0.1
249.06015	0.1
249.10864	0.1
283.26428	0.7
383.18976	0.7
384.19540	0.2
399.18417	0.3
409.20480	0.9
410.20966	0.1
439.21494	0.3
457.22623	6.6
458.22845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
59.01378	5.9
60.99011	1.0
60.99308	13.9
61.98821	2.8
66.62011	0.8
71.01360	1.2
71.28066	1.3
83.01390	1.9
85.02950	2.8
87.00880	0.9
88.98806	100.0
89.02462	1.3
96.96015	1.6
99.00865	1.5
100.41763	0.9
101.02460	1.5
111.00862	0.9
129.01932	4.1
133.02942	2.4
135.04553	3.6
143.03487	2.5
161.02452	15.7
173.00929	4.4
179.03496	2.9
182.21085	0.9
205.03511	1.5
260.49911	0.8
335.04117	2.8
367.06833	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	457.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21698	0.6
56.19294	0.7
57.03451	3.9
59.01378	15.5
60.92365	0.7
60.99305	14.3
61.98832	7.4
62.42879	0.7
69.36584	4.2
71.01380	2.6
72.99288	0.8
73.02931	1.5
78.60258	0.7
78.95905	1.4
79.95734	1.0
83.01386	2.3
85.02963	4.4
87.00878	2.3
88.98803	100.0
89.02442	3.4
89.99139	1.4
95.40636	0.8
96.73556	0.8
96.96005	10.3
96.96957	1.3
99.00895	1.5
99.04495	3.0
101.02433	2.6
103.66261	0.7
110.97552	0.9
111.00913	1.0
111.08188	1.2
113.02442	1.0
117.18367	0.7
119.03439	0.9
119.05027	1.2
125.02435	2.1
129.01915	4.5
133.02930	2.0
134.03746	2.7
135.04530	4.5
143.03450	1.2
160.01584	1.2
161.02437	11.9
173.00912	4.5
175.04028	0.9
179.03471	3.2
190.12436	0.8
193.05055	2.2
205.03503	1.2
209.02820	0.9
219.02994	1.2
221.11794	1.3
313.12781	1.4
335.04138	3.1
367.06628	3.7
388.59024	1.0
457.07578	1.3
457.13953	8.6
457.20923	2.7
458.14310	1.1
468.93430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20873	1.5
56.89444	1.3
57.03423	1.9
59.01378	28.9
61.98824	22.1
71.01377	3.0
78.95899	2.1
79.95717	1.7
85.02951	7.7
93.03445	3.0
96.96009	12.2
99.92583	58.9
100.92609	3.0
100.93347	2.7
101.02429	3.2
108.02141	4.0
113.02436	2.6
115.91323	2.5
115.92084	30.9
116.92855	10.9
121.02176	2.1
121.02967	27.6
126.90543	2.0
129.38982	1.4
137.02437	1.8
146.95433	2.5
149.09711	1.2
156.19670	1.3
157.93185	1.5
165.01900	6.1
191.01973	1.7
191.95146	4.8
193.06606	3.0
200.90012	1.5
204.96117	2.1
208.95448	4.1
220.95456	5.5
234.96986	3.8
236.94949	12.3
248.94867	4.7
262.96625	2.1
264.94293	1.7
278.95932	2.1
280.94028	11.9
290.96072	2.5
309.20721	2.1
350.99652	1.5
371.13812	8.8
382.98639	4.0
400.99979	3.1
412.94318	2.1
412.99545	11.9
413.14743	2.7
435.25809	1.4
456.98669	100.0
457.98788	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	456.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
61.98830	100.0
64.86989	0.3
64.90040	0.3
69.18742	2.7
83.52791	0.3
90.46294	0.3
97.09045	0.3
105.95811	0.3
117.02855	0.3
153.05490	0.3
190.35550	0.3
215.00252	0.3
310.21143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83997	0.6
57.03450	13.9
59.01378	10.7
61.98830	100.0
70.01267	0.5
70.03796	0.5
71.01388	2.0
73.02952	0.8
81.03487	0.7
83.01392	0.9
85.02974	2.4
88.98809	2.7
96.96002	3.1
98.19987	2.8
98.20674	1.5
99.04522	14.6
99.05183	0.8
101.02456	5.1
113.02491	1.2
115.39705	0.6
125.02421	3.4
139.61748	0.7
143.03587	1.1
161.02504	0.8
161.04642	1.3
168.53812	0.6
173.53220	0.6
189.65503	0.6
249.13533	3.2
291.14560	2.2
331.17593	1.1
357.99646	0.6
393.17642	12.5
394.18134	1.0
396.19437	0.8
457.13800	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	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	16.6
58.03765	0.6
59.01380	18.6
60.99281	0.5
61.98829	100.0
69.22354	2.2
69.22788	2.4
71.01389	3.2
73.02967	1.1
73.35679	0.5
74.64703	0.5
78.95910	1.2
83.01372	1.3
83.81733	0.5
85.02965	3.6
88.98806	3.8
89.02452	0.9
96.96024	2.0
98.19925	0.9
99.04514	17.5
101.02443	8.0
110.12169	0.5
113.02493	1.1
121.52547	0.5
125.02432	4.9
131.03616	0.6
143.03503	1.7
161.04619	1.5
249.13431	4.9
291.14542	2.8
331.17804	0.9
335.04233	0.5
393.17654	10.1
394.17947	0.6
396.19742	1.2
455.32056	0.7
456.32230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07280	0.3
53.90043	0.3
57.03447	18.0
59.01379	15.6
61.98829	100.0
70.05627	1.5
71.01379	2.1
73.02966	1.0
74.34726	0.3
74.57334	0.3
76.72131	0.3
81.03441	0.4
83.01402	0.8
85.02972	1.3
96.96037	0.5
99.00890	0.4
99.04519	17.2
101.02441	7.8
113.02464	0.9
122.09058	0.4
125.02460	5.5
126.90525	0.5
143.03482	1.0
144.39508	0.4
161.04520	0.6
249.13403	5.5
279.69519	0.3
291.14474	1.7
331.17725	1.1
376.14343	0.3
387.85690	0.4
393.17667	9.5
393.22855	0.5
394.17664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23590	1.0
57.03447	17.5
59.01114	1.4
59.01382	18.4
61.98829	100.0
71.01368	2.7
71.07863	1.3
75.06073	1.0
79.21696	1.1
85.02943	3.3
85.60813	1.2
96.96015	1.3
98.20475	5.7
99.03927	1.4
99.04519	18.6
101.02427	7.5
113.02465	1.3
125.02465	6.5
136.07776	1.0
143.03535	1.1
158.68819	1.3
161.04472	1.7
200.58519	1.0
249.13429	4.3
249.62729	1.1
249.66571	1.1
291.14493	3.0
331.17612	2.4
352.50409	1.2
393.17636	10.7
456.15915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09334	0.3
57.03450	18.4
59.01380	16.9
61.98831	100.0
69.35183	2.9
71.01382	1.8
73.02951	1.2
83.01382	0.7
85.02987	1.5
87.00892	1.2
95.01399	0.4
96.96017	0.4
99.00894	0.3
99.04523	18.1
100.04871	0.5
101.02443	7.8
102.29403	0.3
113.02474	1.0
125.02443	5.8
125.03336	0.5
127.07658	0.3
143.03520	1.3
149.06053	0.4
161.04565	1.3
166.99838	0.4
182.02269	0.4
197.04634	0.5
227.90408	0.3
237.89874	0.3
249.13443	5.8
291.14508	2.8
331.17798	0.7
389.19479	0.3
393.17673	11.3
394.18027	0.9
456.20056	0.4
457.08145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.6
59.01381	11.7
61.98829	12.0
67.16444	1.2
69.03447	1.2
70.36696	3.2
71.01388	7.4
73.02927	1.9
75.00890	1.8
78.95895	5.1
79.95738	28.5
80.96490	1.4
83.01355	2.1
83.74840	1.2
85.02952	21.5
87.00853	2.0
88.16898	1.3
88.98825	2.6
89.02422	2.9
95.95242	15.7
96.96012	100.0
96.96989	4.0
98.20181	2.4
99.92583	2.5
101.02435	3.1
110.97562	4.6
113.02430	3.1
115.92061	4.2
116.92847	2.2
117.79931	1.6
119.04950	1.7
121.02978	1.8
125.02419	2.5
126.90500	2.1
128.03496	1.2
129.01913	3.0
131.03468	1.6
135.04491	3.1
137.02420	4.0
141.95715	2.3
145.02980	1.7
147.03033	2.3
149.99950	4.8
151.00345	1.5
151.03912	1.4
163.04012	2.2
168.47426	1.3
174.40689	1.3
177.01799	2.1
191.01886	2.9
197.04515	4.0
209.02989	2.3
220.03246	1.3
292.53149	1.6
331.04941	2.3
373.55676	3.9
383.05710	1.3
419.19083	1.6
437.09592	1.7
437.31149	2.2
440.07797	1.9
455.10205	62.7
455.20300	38.0
456.10831	6.3
456.20566	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	454.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03162	0.7
57.03447	16.6
59.01380	13.3
61.98829	100.0
69.48256	3.5
70.15706	0.5
71.01379	3.6
73.02969	1.2
83.01395	0.9
85.02946	1.1
89.02450	3.9
98.20204	1.8
99.04522	16.9
101.02443	8.7
112.99303	0.6
113.02464	1.4
119.03487	2.4
123.04527	0.6
125.02428	5.8
143.03491	1.5
149.04587	1.3
161.04538	1.2
179.05684	0.6
221.06750	0.7
247.11923	1.4
249.87292	0.6
285.46634	0.5
289.12991	1.9
329.16061	1.0
391.16046	11.2
392.16776	0.8
411.44788	0.6
453.33710	2.1
454.34033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
60.25136	0.2
61.98830	100.0
62.05817	0.2
70.37622	0.4
96.07588	0.2
235.08119	0.2
293.75427	0.2
390.96964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93309	0.3
55.44586	0.3
59.01374	1.2
60.22668	0.3
61.98829	100.0
63.71507	0.4
71.52209	0.5
75.54659	0.3
96.35517	0.3
107.54549	0.3
114.39561	0.3
116.92893	0.3
120.42408	0.3
127.56709	0.3
130.60229	0.3
189.84302	0.4
290.34775	0.3
300.83765	0.4
317.19131	0.3
404.17578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0976
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
59.01368	1.8
62.16279	0.5
69.44376	3.5
71.01385	0.9
78.32854	0.5
78.95906	83.2
85.02953	2.5
88.54739	0.5
89.02425	0.7
91.46040	0.5
96.96964	100.0
101.02414	0.7
113.02428	0.8
125.02450	0.6
138.98044	3.2
161.02504	0.6
165.90538	0.4
174.06122	0.5
198.06717	2.0
199.00137	12.3
212.08289	4.5
213.01709	12.1
241.07294	5.2
255.08867	5.7
293.08698	0.5
348.69452	0.5
455.09711	32.4
456.10065	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	455.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45934	0.5
57.03452	3.2
59.01379	4.2
60.99012	0.9
60.99309	15.2
61.98831	1.7
63.74337	0.5
68.12106	0.5
71.01377	1.8
71.52090	0.9
72.35807	0.6
76.09869	0.6
78.95902	6.7
79.95741	2.4
82.95401	0.7
85.02944	6.7
88.98803	100.0
89.02449	0.8
95.95245	1.2
96.96014	7.4
96.96957	8.6
99.04513	2.3
101.02437	1.6
111.00825	0.7
111.62610	0.6
113.02374	0.8
125.02419	0.7
129.01909	1.2
137.02560	0.7
147.02979	0.7
151.74583	0.6
154.99849	0.5
191.01956	0.9
199.00148	0.7
235.36273	0.6
363.16574	1.0
365.14462	1.7
455.10144	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	454.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53362	0.4
57.03447	32.2
58.03803	0.4
59.01073	0.5
59.01377	10.0
59.98526	0.6
61.98830	100.0
71.01380	7.5
72.99316	0.5
73.02936	0.7
81.03470	0.6
85.02958	1.9
87.00897	0.5
87.04507	0.5
89.02476	0.5
96.95987	2.5
99.04521	30.2
99.66595	0.5
100.04945	0.4
101.02437	10.0
106.01376	0.4
110.97597	1.5
113.02445	0.9
115.92107	0.5
117.05602	0.6
121.03051	0.4
125.02444	14.8
126.90543	1.5
129.02028	0.6
143.03519	1.4
161.04552	16.0
162.04988	0.6
197.11806	0.5
215.05650	0.6
215.10826	0.7
227.05923	0.4
255.12115	0.4
286.12112	0.4
292.93304	1.1
321.08313	0.6
338.08475	0.8
391.27017	0.6
393.94000	0.4
407.11932	0.4
438.54428	0.4
446.30713	0.4
454.16010	1.4
455.15414	0.9
476.34409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06081	0.5
53.95831	0.6
57.03448	45.3
58.03783	0.7
59.01381	10.9
59.98540	0.6
61.98831	100.0
69.89366	2.5
70.23262	0.6
71.01386	10.6
81.03444	1.0
82.95456	0.7
83.01402	0.6
85.02982	2.0
87.00890	0.7
87.04527	0.8
91.86089	0.7
96.96033	1.1
98.20262	1.5
99.04522	47.2
100.04845	0.7
101.02450	14.7
117.05592	1.3
125.02446	22.4
125.03326	1.3
126.02784	0.7
128.03583	0.6
134.01099	0.5
136.83989	0.6
143.03510	2.0
148.03764	0.7
161.04553	27.1
162.04829	1.0
165.66434	0.5
229.07298	1.0
321.08206	0.8
338.08646	2.5
394.25116	0.8
410.17084	0.7
454.15622	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	453.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07246	3.1
57.03431	4.8
59.01381	100.0
61.98829	16.4
70.78959	7.8
71.01384	3.3
71.05026	4.9
72.99308	7.4
75.00866	9.4
82.19418	2.6
83.05073	2.7
85.02934	5.1
86.04535	2.6
88.98811	3.2
91.44596	2.5
96.96008	5.1
97.02953	3.2
99.04558	6.4
101.02420	4.1
109.02884	2.9
111.00827	2.3
115.92104	4.9
116.92844	3.7
125.06059	8.3
126.90515	59.9
136.05270	4.7
138.06859	14.4
139.07608	7.4
151.07645	3.6
153.09219	12.3
155.10800	5.0
212.10522	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	452.9766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25456	1.0
57.03445	9.2
59.01380	60.9
60.01707	1.1
61.98829	49.5
63.99255	1.3
65.00304	1.3
70.66290	3.2
71.01383	15.5
72.99304	3.4
73.02935	2.9
78.95909	2.3
83.01378	3.8
85.02953	17.4
86.03279	1.1
87.00858	2.8
88.98800	3.5
89.02445	13.2
93.03447	1.7
93.66313	1.0
96.96009	20.9
96.96672	1.2
96.96951	2.6
98.95589	4.3
98.96416	1.2
99.00871	3.2
99.04521	6.3
99.92585	48.5
100.92635	2.4
100.93361	6.3
101.02435	10.8
107.01374	1.8
111.00860	1.9
113.02436	5.3
115.92073	100.0
116.92064	5.4
116.92846	17.2
119.03493	4.7
121.02956	2.2
123.04522	1.3
125.02419	2.9
129.01929	3.4
131.03461	2.0
132.02129	1.4
133.02951	7.6
134.03682	1.3
135.04494	3.1
139.00404	1.0
142.94424	6.1
143.03491	1.5
145.02963	1.4
147.03000	2.1
147.04535	1.3
149.04547	2.6
150.92882	1.1
151.00351	3.8
161.02406	3.8
161.04546	3.7
173.02504	1.2
178.99866	1.2
179.03513	1.8
179.05559	2.6
184.95451	11.3
185.95718	1.1
189.12027	1.2
189.15079	1.4
191.05544	1.8
195.13913	2.5
197.04507	1.6
204.95732	1.3
209.03015	1.6
211.94211	1.6
215.95172	15.3
216.95967	14.4
217.01619	1.3
217.96742	6.0
218.97510	5.1
219.94688	5.5
220.95363	1.7
229.14319	2.4
230.14793	5.4
231.94702	1.6
232.95462	2.0
235.02579	3.9
243.94603	3.4
244.95444	12.9
255.16022	1.4
259.97729	1.3
260.94965	3.4
261.95685	2.5
262.96545	11.6
270.16986	1.1
273.16986	3.6
292.03009	10.0
296.44952	1.3
333.19177	4.8
351.20255	3.5
372.96545	44.9
373.05496	11.3
373.96945	5.3
390.92850	1.1
390.97516	4.3
393.21490	1.8
416.95532	22.9
417.95926	2.4
452.22876	1.3
453.04398	5.4
453.14362	2.4
453.23370	12.5
454.08646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68396	0.5
57.03456	0.8
59.01389	0.9
62.48874	0.5
70.51582	0.9
70.51940	1.0
71.01394	0.7
72.99301	2.4
79.95731	2.7
85.02945	9.6
86.03260	0.5
87.95586	0.5
95.01351	0.4
96.96011	100.0
97.95961	0.8
98.95586	9.3
98.96424	1.8
99.00937	0.7
99.92582	10.3
100.93356	6.1
101.02446	0.5
106.08651	0.5
113.92623	2.2
115.92076	90.2
116.92074	3.8
116.92863	3.3
119.05044	1.0
129.01970	1.0
131.96025	0.4
132.92401	0.9
135.04543	0.6
137.78604	0.5
147.03020	0.8
150.81708	0.5
163.04002	0.6
168.74373	0.5
184.95473	13.7
185.95522	0.7
191.02013	5.4
192.02367	0.7
193.02451	1.2
209.03026	9.2
215.95230	1.4
217.96761	1.2
218.97546	1.2
219.94688	0.9
231.67589	0.4
233.42540	0.5
256.93942	1.4
262.96494	2.0
346.98721	0.9
355.06464	2.0
372.96515	5.8
373.97131	0.5
390.97488	1.2
434.96439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01377	7.7
59.24698	0.7
61.98830	2.1
69.45010	4.8
71.01380	4.7
71.07246	0.6
72.99294	1.2
73.02941	2.1
75.00869	0.9
81.98742	0.7
83.01408	1.4
85.02930	4.4
89.02470	1.5
95.31129	0.7
96.96016	10.1
98.95596	11.8
98.96423	1.8
99.00896	2.4
99.92583	33.8
100.92657	1.3
100.93360	13.3
101.02448	4.2
113.02456	1.9
114.94917	1.4
115.92077	100.0
116.92081	3.9
116.92866	16.4
125.02459	0.7
129.01990	1.0
131.03490	0.9
132.02162	1.9
132.33354	0.6
132.92383	1.0
133.02985	1.4
134.03714	0.8
135.04475	3.2
142.93349	1.3
142.94424	19.1
143.94479	0.7
145.02956	0.9
147.02966	0.8
161.02437	3.4
161.04556	1.4
174.98547	0.8
179.03516	1.6
184.95467	10.9
192.33623	0.8
195.85341	0.7
215.95137	7.4
216.95953	20.1
217.01582	0.8
217.96591	4.8
218.97554	5.1
219.94699	2.4
220.95490	1.6
232.95471	0.9
235.02710	2.2
243.94717	1.9
244.95442	20.4
245.95697	2.1
246.96873	1.0
260.94922	0.9
261.13449	2.6
261.95770	0.9
262.96484	14.8
263.96793	1.2
289.07327	1.0
302.95895	0.8
307.04593	1.3
372.96533	19.3
373.96881	2.3
390.97626	35.1
391.97583	3.2
393.17712	15.4
393.22806	0.8
403.71417	0.6
416.95590	4.2
453.04770	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	452.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85328	1.7
57.03444	9.1
59.01379	16.6
61.98821	2.9
70.59136	1.7
71.01371	10.0
71.51061	3.5
72.99300	17.2
73.02936	4.3
74.00719	2.3
75.00866	2.5
79.95734	2.7
82.29822	2.0
83.01387	7.7
85.02941	15.5
88.98785	4.9
89.02455	2.3
93.03439	1.9
96.96011	31.7
97.02944	4.4
98.95582	5.7
99.00877	5.0
99.04512	7.3
99.92584	100.0
100.92582	5.3
100.93361	6.5
101.02436	4.5
111.00882	2.9
113.02406	4.6
115.92076	62.1
116.92117	3.6
116.92853	49.6
117.03516	2.9
119.05047	3.2
121.02939	5.0
125.02415	3.5
127.00368	4.5
129.01929	2.3
132.02187	4.5
133.02940	9.0
135.04469	3.9
143.07153	5.5
145.02959	3.3
147.04527	1.8
149.02452	3.5
156.92339	6.1
161.02478	11.5
163.04018	2.3
167.95195	2.6
171.04445	2.4
173.08261	2.0
179.03534	2.5
183.04512	3.5
184.95500	3.3
191.01945	7.6
199.04073	2.2
204.95993	6.7
209.03185	3.0
210.93500	3.9
211.94150	5.8
215.95189	47.3
216.95963	26.6
217.96359	2.8
218.97469	4.9
219.94693	31.3
220.95078	5.6
227.03534	6.3
229.96793	2.5
230.97676	2.3
231.94797	2.3
232.95428	8.9
234.96957	2.2
236.94901	12.4
237.95659	2.4
242.97362	3.3
243.94704	12.0
243.98198	3.4
244.95448	40.1
248.95067	3.7
255.98315	6.6
256.93878	3.8
256.99130	4.1
259.97659	2.3
260.95059	3.8
261.95734	3.5
262.96387	3.9
265.96497	2.2
272.98553	7.4
274.96661	2.0
276.94385	2.1
284.98621	8.1
285.99399	7.8
289.07324	2.1
302.99619	14.6
310.96552	2.7
315.96902	4.1
328.97562	13.0
329.98257	10.7
334.98276	2.2
346.98486	12.5
372.96436	15.0
416.95547	55.8
417.95914	4.3
434.96579	6.9
453.05841	3.7
453.15903	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	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20357	0.2
61.98829	0.8
66.80460	0.3
71.51534	0.3
78.95908	4.8
80.25262	0.2
129.92549	0.3
132.00177	0.3
140.01163	1.6
152.99626	0.7
164.86890	0.3
166.48199	0.2
196.03816	0.9
214.04831	2.2
255.23282	100.0
256.23621	6.2
362.23615	0.3
452.27802	12.2
453.28198	0.8
474.54626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64240	0.1
61.11303	0.1
61.98817	0.2
62.96400	0.2
69.84123	0.5
69.84539	0.2
78.95903	18.1
96.96939	0.2
98.20022	0.3
122.00114	0.7
122.98483	0.2
134.98508	0.3
140.01192	5.1
152.99600	1.3
166.02744	0.3
196.03796	9.1
214.04868	2.1
237.22179	0.2
255.23282	100.0
256.23630	6.2
256.26373	0.3
452.27820	32.2
453.28152	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	452.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25461	0.4
55.01883	1.3
57.03450	1.9
59.01378	3.5
61.98829	100.0
71.01379	2.1
71.51898	0.6
72.99293	1.1
73.02945	0.7
78.95905	1.2
80.91687	0.5
83.01382	3.4
84.04559	0.5
85.02942	7.5
85.03400	0.6
86.03301	0.8
87.00879	3.6
88.98841	0.6
89.02423	0.6
96.96008	2.9
96.96957	2.8
97.02977	0.4
99.00884	1.0
101.02470	0.8
101.21519	0.4
108.02177	0.6
109.02951	0.7
111.00887	1.0
112.98811	8.8
113.02423	0.6
115.03958	0.6
115.92099	1.1
119.05038	0.5
121.02940	3.3
123.00895	0.6
129.01974	1.6
135.04546	0.4
137.02473	1.8
142.99870	0.5
145.01460	0.6
145.02948	0.5
147.03026	1.1
153.01962	0.4
153.05556	2.9
154.99860	9.2
159.04549	1.4
160.04041	0.6
166.99954	0.5
173.00964	0.9
175.02699	1.9
176.03551	1.3
181.01407	3.4
182.02232	0.6
191.02013	1.4
196.03777	2.7
197.04558	9.3
197.06215	0.6
197.72337	0.4
209.02939	1.0
209.04620	1.1
209.06416	0.5
210.03476	0.7
217.01729	0.4
219.06723	0.5
224.03224	2.4
235.02696	0.7
239.05592	18.6
240.06006	1.3
247.06241	0.9
262.05167	0.7
276.06390	0.5
278.08185	0.6
281.06744	1.2
306.07703	3.6
325.05551	1.0
350.06598	3.1
353.05142	10.2
354.05652	0.8
365.11646	1.6
409.10477	2.1
451.21970	1.0
452.05072	0.5
453.04996	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.7
57.27590	1.4
59.01377	100.0
61.98832	22.7
71.01382	19.6
71.52507	1.6
72.99295	2.7
73.02935	5.1
73.58151	1.5
75.00900	2.5
78.95878	2.1
80.91705	2.0
83.01383	4.1
85.02956	17.8
87.00889	1.9
88.98769	1.5
89.02426	9.8
93.90820	1.4
95.01382	2.5
96.96004	6.1
99.00867	1.8
99.04517	3.7
101.02433	15.5
109.02969	2.1
113.02421	5.9
114.99331	2.8
116.97281	1.9
119.03484	4.5
125.29047	1.9
126.90434	1.8
129.01921	2.8
135.04503	1.6
143.03481	1.8
160.04044	4.5
161.02426	2.2
161.04520	11.2
179.03482	2.4
185.11819	1.8
191.01915	3.0
201.11136	1.4
215.12874	1.7
242.07994	1.3
307.09091	1.9
331.17773	1.9
341.06720	1.8
359.16867	5.4
391.23340	40.2
392.23679	3.5
407.19086	4.8
451.03418	3.5
451.13870	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	451.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	0.3
59.01148	0.1
59.01385	0.7
61.98828	0.4
62.21560	0.1
70.02961	0.1
71.01369	0.1
72.04554	0.1
80.05058	0.3
81.03456	7.5
82.03799	0.2
82.06583	0.1
83.05024	22.4
84.05338	0.5
85.02942	0.2
85.59164	0.1
89.02451	0.1
91.65701	0.1
94.21235	0.1
96.95976	0.1
100.07684	0.2
101.02434	0.1
107.06150	0.8
108.04554	0.9
110.06121	0.1
125.07210	2.8
126.05592	0.6
140.10733	0.1
143.08257	1.2
157.13484	0.1
166.12346	0.1
199.18205	0.1
207.15012	3.1
207.16966	0.2
208.13383	0.2
208.15361	0.3
222.16203	0.1
224.17670	4.2
225.16068	12.3
226.16373	0.6
242.18715	1.5
250.15517	0.4
251.14194	0.1
266.18884	0.1
268.16663	0.2
290.22382	0.3
291.20633	0.1
292.20337	0.2
298.46127	0.1
306.21976	0.1
307.23941	0.2
309.21649	0.5
324.22794	0.2
324.26471	1.8
325.26883	0.2
333.22928	4.0
334.23108	0.3
339.27597	0.3
341.29218	0.2
350.24670	0.1
351.23987	1.1
352.24609	0.1
367.27130	1.2
368.27466	0.1
385.28009	0.2
405.27185	0.1
406.30658	0.2
433.31787	6.3
434.32208	0.6
451.32855	100.0
452.33160	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	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88284	0.8
55.01864	1.9
57.03025	1.1
57.03446	80.7
59.01378	100.0
60.01682	0.9
61.75092	0.9
61.98833	14.3
70.44111	1.2
70.44440	1.5
71.01382	25.2
72.99268	2.3
73.02947	8.1
75.00870	1.0
81.03442	1.2
83.01376	4.5
85.02950	16.4
87.00869	1.8
89.01925	0.7
89.02430	5.3
94.50696	0.9
95.01375	2.2
95.05039	0.9
96.96017	7.0
99.00876	4.1
99.04520	80.9
100.04838	1.9
101.02445	38.3
109.02957	10.1
113.02448	11.5
114.08279	0.8
119.03445	1.0
119.84201	0.8
121.02985	1.1
123.04498	5.6
125.02444	35.2
126.90514	1.0
126.95918	0.8
129.01971	1.6
129.03619	2.9
133.02931	2.6
133.25323	0.8
135.04495	1.6
137.02417	1.1
143.03500	4.7
145.12344	1.4
151.04005	3.1
159.02948	3.2
161.02477	5.2
161.04538	17.6
163.03932	1.2
173.02603	2.7
177.01897	8.1
179.03409	1.4
189.01903	23.3
190.02678	4.3
191.01888	1.4
191.03452	4.1
192.07799	0.9
199.57869	0.8
203.03481	2.7
203.07076	1.0
216.00575	3.2
217.01427	16.5
218.01897	1.4
219.03020	7.6
231.02997	6.0
233.04482	1.2
289.16614	4.6
307.17633	32.1
308.17911	2.8
323.05487	1.5
341.06628	45.8
342.06891	4.4
349.18637	13.5
350.18848	1.4
359.16998	1.1
379.04547	1.0
389.21637	2.7
423.12653	1.0
451.03201	8.0
451.10254	15.8
451.21860	16.9
452.10394	1.1
452.22089	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	451.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03392	2.9
59.01329	8.3
60.45113	0.4
60.98598	0.4
61.98830	7.4
70.34158	1.6
71.01377	2.1
73.02912	0.6
75.00816	0.5
75.10574	0.5
75.21137	0.5
80.91682	9.7
80.96519	0.6
83.01366	0.9
85.02950	3.0
89.02425	0.9
89.03972	0.5
93.03419	0.5
95.04993	0.8
96.95955	1.6
98.20116	1.0
99.04521	2.7
101.02375	2.0
108.17533	0.4
109.02953	22.1
113.02444	0.6
115.92058	0.7
116.92839	0.6
117.03410	0.9
119.04963	1.4
121.02946	1.1
123.04526	11.6
125.02410	1.0
129.01881	0.7
133.02959	4.4
134.03680	1.1
135.04453	1.8
137.02364	1.4
145.02888	1.2
147.02901	0.5
147.04442	3.1
149.02344	1.1
150.03177	0.8
151.03996	6.1
158.03586	0.5
159.04440	1.6
161.02446	7.0
161.04474	0.9
162.03137	2.1
163.04039	2.8
163.37726	0.4
175.03958	0.9
176.01097	0.9
177.01929	27.1
178.02237	0.7
185.49469	0.4
186.03183	0.5
187.03992	2.1
188.04683	1.5
189.01930	43.7
190.02695	11.2
191.02003	0.5
191.03490	6.9
201.01825	0.6
202.02689	3.4
203.03511	4.1
208.49796	0.5
213.05539	0.8
216.00629	7.4
217.01416	26.0
218.02028	2.4
219.02995	11.1
222.01657	0.8
227.07042	1.1
229.08582	0.8
231.02977	7.7
232.03564	1.4
233.04532	1.0
255.06619	0.9
269.08063	0.7
281.04572	5.1
282.05069	0.6
287.05591	1.2
289.07181	2.9
297.07669	2.3
299.05658	6.4
323.05551	1.9
341.06644	100.0
342.07074	8.0
391.23422	0.6
407.09821	1.8
426.57245	0.5
451.10400	26.9
451.16348	2.2
452.10754	2.6
466.43439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02454	0.9
54.75187	1.0
57.03421	1.7
59.01110	1.4
59.01378	19.4
60.07991	0.9
61.98833	6.6
69.03448	3.8
69.46674	5.6
71.01383	2.0
71.05011	2.1
75.00845	1.1
78.95904	33.8
80.00484	0.9
85.02943	2.3
89.02455	1.0
96.96038	1.4
96.96940	3.0
98.20144	3.1
99.92657	1.0
100.90548	1.0
101.02381	1.0
135.04503	1.3
150.97995	1.1
152.99583	50.0
163.92859	0.9
167.10794	6.7
171.00610	2.5
177.12781	1.3
179.10788	2.2
179.14400	7.1
195.13895	17.1
205.12354	13.1
206.12700	1.3
206.71716	1.0
223.13380	100.0
224.13666	4.6
227.03250	6.5
245.04213	2.3
359.12790	1.7
415.19543	1.8
431.64343	1.1
451.17337	89.4
452.17773	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	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03448	86.8
59.01380	100.0
61.98832	37.7
63.99242	2.5
70.81931	2.9
71.01377	19.8
72.28148	1.2
73.02938	7.2
75.00880	1.6
79.95739	7.0
80.96516	3.2
81.03427	1.9
82.95422	3.4
83.01392	4.8
85.02953	20.7
87.00886	2.2
88.98832	1.3
89.02434	6.2
95.01372	1.9
96.95995	5.2
98.20289	2.3
99.00870	3.1
99.04518	80.5
101.02440	38.1
106.98104	3.2
109.02953	2.0
111.00880	1.4
113.02451	9.4
119.03485	2.1
124.00729	1.6
125.02448	28.2
126.90495	1.7
129.01923	4.4
143.03455	4.9
159.02934	1.4
161.04567	9.0
180.90288	1.4
195.30661	1.5
227.07353	1.3
247.40877	1.2
307.17636	23.3
308.17963	1.9
341.06693	2.2
349.18799	6.8
391.23264	3.2
451.15964	3.6
451.21176	9.6
452.16855	2.2
452.23218	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	451.0173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45656	0.3
54.85794	0.2
57.03445	0.4
59.01383	0.7
61.98824	1.5
63.33805	0.3
70.92606	0.5
72.44373	0.2
79.95732	1.9
85.02946	3.7
94.93772	0.3
96.96009	100.0
97.93169	0.2
97.95930	0.4
99.92598	0.6
101.04592	0.3
109.27615	0.2
113.92606	1.3
114.93378	0.4
115.92088	0.5
119.55814	0.2
129.01933	2.4
135.04529	1.3
140.94958	0.2
147.02943	1.6
149.80411	0.3
161.02452	1.5
162.29610	0.3
166.53468	0.2
173.00909	1.9
179.03539	0.8
213.95737	0.3
214.96452	0.3
246.28395	0.2
335.03745	0.4
353.05099	3.2
370.97189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03447	2.4
59.01377	1.2
68.99809	0.2
79.95747	1.7
83.01394	0.4
84.02164	0.5
85.02946	27.8
86.03301	0.6
96.50884	0.2
96.96008	100.0
97.95957	0.3
103.00392	0.5
113.92622	0.8
115.92079	0.7
116.92845	0.5
129.01929	1.1
135.04550	0.4
147.02992	1.0
173.00957	0.3
176.33649	0.2
179.03473	0.8
182.12169	0.2
191.01967	35.8
192.02335	1.2
207.84113	0.3
343.12433	0.2
353.05136	7.5
354.05331	0.7
451.02957	0.4
466.74359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01378	6.5
61.98830	100.0
70.70621	0.7
71.01385	1.8
72.99359	0.3
73.02945	0.3
74.00701	0.8
74.02440	0.4
74.66571	0.2
75.72883	0.2
79.95741	0.4
81.21710	0.2
83.01380	0.2
85.02951	3.1
89.02435	1.7
90.22382	0.3
96.96011	17.7
99.05647	0.2
101.02454	1.6
113.02477	0.6
113.92648	0.4
119.03522	0.5
128.03529	1.2
129.01920	1.5
135.04538	0.6
143.04611	1.4
147.03009	2.3
161.02460	0.6
165.12889	0.3
173.00911	1.9
179.03455	0.4
200.74417	0.2
210.08789	0.3
224.16568	1.2
226.18181	1.4
254.07840	0.9
265.07309	0.3
270.17068	4.5
271.17529	0.3
272.09018	1.2
283.02829	0.2
304.06241	0.3
335.04224	0.7
353.05133	3.2
390.21484	0.8
450.24591	1.4
464.66473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80332	0.8
55.01871	2.1
57.03448	13.1
58.00592	1.2
59.01376	100.0
61.98827	14.7
65.00304	1.0
69.27959	7.5
71.01381	44.8
72.99309	1.9
73.02950	10.9
75.00885	1.1
75.73052	0.8
76.78235	0.9
80.91669	3.5
83.01373	6.1
83.27083	0.9
85.02948	25.3
87.00874	2.2
89.02446	12.4
95.01371	2.4
96.96021	2.1
97.02953	1.3
99.00882	5.9
99.04520	11.3
101.02439	30.3
104.63918	1.0
107.01432	0.9
113.02446	20.4
114.02723	0.9
119.03491	4.6
120.01296	1.1
124.07729	1.5
125.02448	5.6
129.01868	1.5
133.02969	1.0
134.03633	1.1
135.04526	6.9
136.04825	1.0
139.39500	0.8
143.03474	3.5
151.00354	7.8
159.02979	5.1
161.04555	51.9
162.04904	1.5
165.12865	1.8
179.05583	2.9
185.11940	1.1
188.49075	0.9
191.01936	1.3
200.20490	1.0
205.03465	2.0
209.15399	1.4
213.11386	1.7
227.16489	3.1
285.03967	3.5
286.04306	3.2
287.05048	10.8
287.13721	4.0
305.16003	3.8
384.59766	1.1
389.21808	51.8
390.21973	5.3
405.24872	1.5
449.10156	5.9
449.19635	1.8
450.03610	1.0
450.21649	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01376	3.4
61.98822	2.9
62.96409	22.6
69.34928	4.7
73.22953	0.5
78.95903	52.7
80.97470	28.8
84.58558	0.6
85.02964	0.7
98.20747	0.6
149.00089	15.4
152.99605	0.5
179.01157	1.4
205.15941	5.8
242.98227	4.3
285.12650	2.1
355.16721	18.7
356.17084	0.8
385.17838	23.0
386.18222	2.3
449.14969	100.0
450.15256	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	449.1498
Annotation	Suvorexant
Peak:m/z	Relative Intensity
57.84297	0.4
59.01371	1.1
61.95771	0.4
61.98813	0.9
62.96409	20.8
63.53933	0.3
69.99171	0.8
69.99561	0.8
71.01518	0.3
78.95904	56.0
80.97468	29.3
92.38004	0.3
96.96988	0.3
105.51655	0.4
114.82355	0.3
116.92831	0.6
149.00084	14.5
150.00444	0.4
152.99571	0.9
155.00063	0.4
179.01131	1.5
181.02672	0.4
188.65295	0.4
205.15971	6.9
242.98238	5.4
285.12595	1.4
331.26294	0.4
355.16791	17.5
356.17053	1.9
377.73038	0.4
385.17850	22.2
386.18021	1.7
449.14929	100.0
450.15292	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	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27681	0.6
57.03440	3.6
58.64744	0.6
59.01378	63.0
61.98834	1.0
70.88826	1.3
71.01379	11.7
71.11065	0.6
72.03362	0.7
74.11887	0.6
76.76551	0.6
83.01392	0.8
85.02953	3.3
89.02444	12.4
90.01108	0.6
91.75012	0.6
95.01375	1.5
99.04517	9.3
101.02441	6.4
103.15499	0.6
113.02423	4.4
119.03462	3.6
149.49510	0.6
161.04518	0.7
165.12843	4.1
179.05602	0.9
189.12874	1.3
207.13898	8.4
209.11826	28.0
209.13821	1.4
210.12173	1.8
225.14986	5.4
251.12877	2.7
269.13922	100.0
270.14227	7.0
273.95721	0.7
287.14801	0.8
314.69171	0.7
449.20248	71.1
450.20605	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
58.11143	0.2
59.01378	3.0
60.01709	0.3
60.37465	0.2
61.98831	100.0
69.41639	1.0
71.01355	0.4
75.86752	0.2
85.02966	0.4
88.98806	0.3
89.02462	0.3
96.96050	0.3
98.19953	0.4
101.02480	0.2
113.02448	0.2
125.02505	0.2
157.02721	0.2
173.09352	0.2
204.83177	0.2
227.03484	1.1
228.03830	1.3
255.02972	1.2
256.03314	2.3
257.03970	0.2
275.85333	0.2
284.03232	0.4
285.03638	2.1
286.04428	0.6
448.09735	3.8
448.22891	0.3
449.10083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.1
59.01375	6.5
60.99306	15.0
61.98835	3.8
62.41095	1.3
63.39682	1.3
71.01392	2.9
71.50854	2.1
71.51247	1.7
75.00878	2.0
85.02955	17.9
85.03468	1.9
86.03310	1.9
88.98808	100.0
89.02457	2.3
93.03468	1.5
96.96030	8.3
116.92876	1.9
121.02988	1.6
129.01959	3.1
137.02435	2.8
145.02966	2.5
147.03004	2.3
173.00772	2.5
191.01967	6.4
192.02170	1.8
209.02974	2.0
223.04553	4.2
224.04933	2.8
238.77730	1.4
401.76761	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01376	6.7
60.01707	0.4
61.98829	100.0
70.08922	0.3
71.01381	2.8
71.52192	0.2
73.02955	0.8
85.02940	1.6
87.00879	0.4
88.98822	0.3
89.02435	2.1
91.78031	0.2
97.02999	0.3
99.04527	0.3
101.02422	1.5
102.00244	0.3
105.99719	0.4
113.02457	0.7
114.02847	0.3
128.03578	1.8
129.01953	0.4
143.04614	0.4
145.02988	0.5
149.04579	1.1
161.04539	0.7
175.01878	0.4
185.11911	0.4
197.05707	0.3
213.11389	0.3
293.08801	0.3
304.06049	2.3
388.20587	0.6
448.22598	0.5
449.19928	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	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33226	0.3
57.03453	0.5
59.01380	7.1
61.98830	100.0
69.45280	1.1
69.45680	0.6
71.01385	2.8
72.99303	0.3
73.02954	0.6
76.63232	0.3
85.02935	1.4
87.00901	0.4
89.02436	2.4
96.96059	0.3
97.04066	0.5
98.20633	0.6
99.00872	0.5
99.04539	0.5
101.02450	2.1
105.99719	0.4
111.00886	0.3
113.02476	0.8
119.03535	0.3
128.03543	2.1
129.01956	0.3
131.03522	0.7
143.04604	0.6
145.02995	0.6
149.04518	1.4
153.06656	0.4
161.04550	0.8
175.01903	0.6
191.05644	0.3
197.05835	0.3
256.92828	0.4
293.08743	0.4
304.06073	3.0
359.03961	0.3
388.20840	0.4
389.21979	0.4
448.16455	0.3
448.22495	0.3
449.20221	3.0
449.24887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21022	0.3
56.22745	0.3
57.03455	0.4
57.84062	0.3
59.01377	3.7
60.01711	0.3
61.98829	100.0
69.71600	1.6
73.02919	0.3
74.55958	0.3
85.02959	0.6
89.02437	0.3
101.02444	0.5
102.97637	0.3
107.01392	0.6
113.02435	0.5
115.77575	0.3
125.02482	0.5
151.00363	0.7
152.00719	0.5
163.00365	0.3
184.04958	0.5
189.50883	0.3
193.29697	0.4
206.20670	0.3
212.04379	1.1
227.03493	14.1
228.03825	24.2
229.04204	0.9
230.05380	0.5
240.03914	0.3
255.00198	0.6
255.02977	17.6
256.03329	32.2
257.03922	3.7
258.04919	0.5
284.03250	12.5
285.03647	29.8
286.04297	10.1
287.04642	0.5
328.05246	0.4
335.39191	0.3
448.09628	57.6
449.09827	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	448.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
55.40338	1.4
57.03437	6.3
59.01380	9.9
59.54615	1.6
60.99271	1.9
61.98826	7.9
68.99833	2.3
69.96545	6.2
71.01386	8.4
71.77081	1.4
72.99315	3.9
75.00871	4.5
83.01381	6.9
84.02169	3.4
85.02953	100.0
86.03290	2.0
87.00855	1.9
88.98808	13.2
89.02444	3.5
96.96018	2.4
97.39745	1.6
98.19978	2.6
111.26250	1.4
115.00384	2.0
121.64254	1.3
129.01959	7.8
134.03717	1.9
135.04510	6.8
138.05623	1.4
147.03015	8.5
157.15222	1.6
161.02499	2.2
173.00897	2.8
179.03487	5.6
191.01962	50.3
217.12050	1.7
223.04573	89.6
224.04982	3.0
225.07680	3.1
226.07944	1.8
328.34308	1.6
385.07574	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22654	0.3
59.01371	1.1
61.98831	100.0
62.44598	0.3
70.63566	1.0
85.09724	0.3
89.50935	0.3
93.20239	0.3
93.28447	0.3
97.23163	0.3
101.16247	0.3
144.27390	0.3
263.15671	0.3
304.58295	0.3
330.59091	0.4
388.20416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
57.03448	10.7
59.01384	18.3
61.98830	23.4
68.99806	1.2
69.82883	2.2
69.83291	4.6
71.01382	10.6
72.99297	4.3
73.02932	2.1
75.00874	3.1
78.91895	1.1
80.46562	1.2
83.01401	6.9
84.02176	1.9
85.02949	100.0
86.03295	2.0
87.00894	1.7
88.98816	2.3
89.02435	3.2
96.96027	1.9
98.20583	1.1
99.00917	1.7
101.02441	2.5
103.00388	1.7
111.00873	10.2
113.58782	1.2
117.03465	1.6
119.05019	15.5
121.02954	5.2
123.04453	2.3
125.02402	2.4
128.03531	1.6
129.01942	8.9
133.02933	2.8
135.04500	7.0
143.03439	1.5
145.02922	1.7
147.02982	13.4
161.02440	3.7
162.03217	2.5
163.04021	13.3
166.56149	1.2
173.00894	9.7
179.03419	5.3
191.01976	57.9
209.03087	6.1
223.04588	65.5
223.06813	3.1
224.04941	1.5
243.06628	10.9
259.06168	3.0
264.01605	1.9
276.19312	1.3
287.05634	9.1
335.04269	3.0
353.05157	14.1
358.99957	1.4
385.07809	7.2
448.10480	2.2
449.10651	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	448.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.4
59.01378	5.8
61.98842	5.3
69.19955	30.5
71.01385	4.5
71.38440	4.2
72.99341	5.0
79.67693	3.6
81.50713	4.5
85.02948	49.1
88.98807	5.5
96.95988	9.5
98.20262	21.5
101.53791	3.6
111.00880	16.8
129.01926	9.6
138.88925	4.1
147.02983	5.1
151.93381	4.0
191.01910	10.1
202.83179	3.7
205.03500	18.1
209.03059	4.9
211.47298	4.2
223.04570	100.0
235.98967	4.0
238.66972	4.6
256.70786	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	448.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47434	0.8
52.94537	0.9
54.05260	1.1
55.01872	2.7
57.03449	13.7
59.01378	25.8
61.98826	10.4
69.12752	0.8
69.20950	8.7
71.01376	11.2
72.99308	3.2
73.02920	1.8
75.00870	2.7
75.16191	0.8
78.91901	1.0
83.01385	7.2
84.02164	2.3
85.02950	100.0
86.03284	1.4
87.00864	1.0
88.98804	1.6
89.02444	2.6
93.03425	1.0
95.01365	1.1
96.96000	3.2
98.19937	1.7
99.00848	2.3
99.04516	1.6
99.05665	1.2
101.02436	3.8
103.00372	1.2
107.25105	0.9
111.00880	10.3
113.02412	1.1
115.00426	1.5
121.02887	1.9
125.02451	2.0
128.03571	1.1
129.01253	0.8
129.01959	8.8
133.01418	1.5
135.04514	5.4
136.77435	0.9
143.03477	2.7
143.04623	2.4
147.02983	11.1
161.02452	5.3
161.04552	1.0
167.10809	1.1
173.00920	10.7
179.03462	4.7
191.01982	56.2
192.02304	1.6
197.04604	1.2
209.03008	9.8
223.04581	64.0
224.04932	2.8
259.06000	2.0
272.08865	1.8
287.05505	2.0
335.04016	2.2
353.05148	13.6
354.05573	1.8
385.07599	6.0
448.11099	4.4
454.81198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11008	0.3
57.03464	0.6
59.01381	100.0
60.01707	1.2
61.68477	0.4
61.98835	4.3
70.25630	0.4
70.25950	1.2
71.01380	7.0
71.01733	0.6
73.02948	2.1
78.95918	0.5
80.98214	0.3
83.01404	0.9
85.02951	3.9
89.02455	2.7
92.44344	0.4
96.96019	1.0
98.20377	0.7
101.02461	3.5
113.02449	3.1
119.03535	1.3
119.88432	0.4
123.08206	1.4
131.03490	0.5
137.09743	0.8
143.03503	0.7
159.03085	0.5
161.04572	5.6
163.11354	1.4
174.48430	0.3
175.41660	0.3
179.05664	1.9
182.15717	0.3
183.73099	0.4
189.12880	2.1
207.13895	4.1
225.15094	2.0
387.20291	4.3
388.20715	0.4
446.14685	0.3
447.09799	0.7
447.22614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99887	0.4
55.01887	1.0
57.03441	1.1
59.01379	100.0
59.08213	0.4
59.83027	0.5
60.01730	0.6
61.98832	3.4
69.66754	2.3
71.01382	10.2
72.99300	0.5
73.02945	3.3
83.01398	1.0
85.02945	5.3
87.00903	0.9
88.43192	0.4
89.02439	4.2
99.00888	1.2
101.02445	6.5
113.02448	4.8
119.03503	2.2
125.02495	0.6
129.01935	0.8
159.03029	1.4
161.04549	7.4
162.04872	0.5
179.05679	0.7
225.15063	1.6
284.03455	1.0
285.04056	1.3
344.36356	0.5
364.17764	0.4
387.20245	28.7
388.20844	2.0
447.09421	1.7
447.22382	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99887	0.4
55.01887	1.0
57.03441	1.1
59.01379	100.0
59.08213	0.4
59.83027	0.5
60.01730	0.6
61.98832	3.4
69.66754	2.3
71.01382	10.2
72.99300	0.5
73.02945	3.3
83.01398	1.0
85.02945	5.3
87.00903	0.9
88.43192	0.4
89.02439	4.2
99.00888	1.2
101.02445	6.5
113.02448	4.8
119.03503	2.2
125.02495	0.6
129.01935	0.8
159.03029	1.4
161.04549	7.4
162.04872	0.5
179.05679	0.7
225.15063	1.6
284.03455	1.0
285.04056	1.3
344.36356	0.5
364.17764	0.4
387.20245	28.7
388.20844	2.0
447.09421	1.7
447.22382	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	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.03451	1.1
59.01379	100.0
60.01706	0.8
61.98826	12.0
61.99123	0.8
69.27518	2.4
69.27928	0.8
71.01381	10.2
72.99307	1.0
73.02932	2.4
78.02164	0.4
78.91900	1.0
83.01390	0.7
85.02943	5.3
88.98836	0.7
89.02443	5.2
95.01383	1.0
99.00897	1.4
101.02435	7.3
107.01407	0.4
109.02949	0.8
110.78639	0.3
113.02444	5.0
116.92863	0.5
119.03487	1.9
121.02956	0.5
125.02449	0.8
129.01924	0.9
133.02982	1.1
137.09737	1.8
143.03554	1.0
143.72168	0.4
151.00455	0.4
159.03015	0.8
161.04546	10.5
163.00400	0.6
165.01915	0.6
175.04034	0.5
179.05539	2.0
189.02100	0.4
189.12910	1.6
199.25368	0.4
201.60622	0.5
207.13934	1.5
207.51880	0.4
209.03046	0.7
211.07286	0.4
225.14861	2.7
269.04440	0.4
284.03360	1.6
285.04056	2.5
297.03995	3.0
298.04935	1.8
299.05630	4.2
300.06058	0.5
311.05762	0.7
327.05081	12.7
328.05533	1.2
331.23087	0.4
339.05292	1.1
357.06152	6.4
387.20258	7.1
429.08417	1.2
447.09473	8.2
447.15567	0.9
447.22610	1.3
448.09668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
61.98823	1.3
70.42500	1.5
73.32155	0.4
78.24111	0.4
78.95902	53.0
96.96961	6.7
98.19920	0.6
98.20506	0.8
116.92857	1.0
150.98051	1.4
152.99580	100.0
153.99924	1.0
171.00652	3.6
175.83754	0.4
447.21466	14.2
448.21933	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	447.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77608	3.4
59.01370	15.0
61.98833	21.1
69.67809	23.2
75.00873	82.3
78.95914	27.8
98.20004	6.0
103.00379	100.0
105.15434	4.0
108.04671	3.8
116.92892	3.9
118.70916	3.7
118.92630	4.6
152.99580	40.7
224.14984	3.9
251.20206	11.4
255.02853	5.3
300.02682	4.4
314.37195	5.0
417.56039	4.0
447.09067	8.8
447.21271	4.8
470.20755	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	447.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.2
59.01380	39.6
60.03830	0.8
61.91545	0.7
61.98825	3.3
63.86576	0.7
69.03471	1.9
69.35314	6.8
71.01010	1.5
71.01379	20.9
71.01775	1.1
71.05031	1.2
73.02956	5.3
83.01385	2.6
85.02939	6.7
87.00871	3.7
89.02419	3.3
95.01380	1.0
98.20665	1.7
99.00853	1.4
101.02444	8.3
113.02458	4.8
121.02878	1.3
125.02453	0.9
135.58598	0.9
143.03500	1.1
153.12833	2.2
176.98192	0.9
181.12317	2.7
199.13394	16.8
208.15530	0.8
241.14317	0.9
255.02881	1.3
284.08969	1.0
343.17642	16.1
343.21497	0.7
344.17883	1.6
361.18652	49.2
362.18970	4.1
403.19699	100.0
404.20078	8.4
448.63281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68618	0.4
57.03448	1.3
58.59982	0.3
59.01380	100.0
60.01712	0.8
61.98830	16.0
71.01385	7.9
71.51468	0.6
72.99326	0.6
73.02946	1.6
74.04009	0.3
75.00877	0.5
78.91901	0.9
78.95934	0.4
80.89454	0.3
83.01414	1.2
84.02150	0.3
85.02960	5.6
87.00878	0.8
88.98811	1.3
89.02451	4.5
95.01409	0.6
96.95993	0.8
97.02914	0.4
99.00896	0.7
99.04499	0.7
101.02448	4.8
109.02942	0.5
111.00878	0.5
113.02439	2.5
119.03529	1.6
121.02961	0.7
123.04513	0.3
125.02465	0.4
129.01898	0.8
131.03546	0.4
133.03017	1.0
137.02509	0.3
138.06906	0.6
143.03532	0.8
149.02441	0.6
149.04591	0.5
151.04066	0.7
153.01942	8.0
153.09239	1.4
159.03017	0.4
161.04573	4.1
162.04773	0.4
163.03972	0.4
163.11337	0.5
168.04262	8.2
179.05603	0.9
181.09859	0.6
183.06627	9.4
185.21678	0.3
191.02010	0.5
207.10321	0.5
207.14015	0.5
223.13348	0.5
225.11487	0.5
225.14948	4.1
227.03503	0.4
255.03056	0.5
267.12292	2.0
284.03363	1.4
285.04034	1.6
296.12610	0.6
297.04062	0.8
297.23636	0.4
298.04858	0.8
299.05432	1.6
300.02875	0.4
311.05640	0.4
327.05051	7.4
328.05554	0.6
357.06079	1.6
369.19333	1.2
387.20282	4.4
447.09357	3.7
447.17209	1.7
447.22617	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.4
61.98824	0.4
62.96416	1.2
64.13188	0.2
72.41850	0.2
75.00877	0.3
75.82236	0.2
78.95905	36.6
91.64371	0.2
91.86642	0.2
94.57545	0.2
96.96951	2.7
98.20655	0.8
100.20838	0.2
149.00096	18.3
150.00372	0.3
152.99619	0.4
158.92526	1.9
166.58141	0.3
179.01180	2.2
180.01549	0.2
205.16014	1.4
240.96741	0.5
241.51724	0.3
347.08176	0.8
417.12296	0.9
431.10367	2.4
432.10944	0.4
447.13416	100.0
448.07440	0.4
448.13779	8.4
464.10260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03445	5.3
58.00591	1.8
59.01379	27.0
67.01897	2.0
68.99814	4.2
69.03455	1.9
70.38942	1.8
70.39342	1.8
71.01012	1.4
71.01379	18.9
72.99300	6.9
73.02937	3.1
73.94737	0.9
75.00868	18.3
81.03482	1.3
83.01378	2.9
85.02948	25.0
85.40316	0.9
87.00880	7.3
87.48459	0.9
89.00321	3.5
89.02434	4.3
90.39848	0.9
91.01867	0.8
91.03999	1.0
93.03473	1.6
95.01387	5.6
98.20615	1.1
99.00877	14.3
101.02444	1.1
103.00391	2.3
106.00616	2.8
107.01434	4.2
107.80418	0.9
109.02932	1.1
111.00860	3.7
113.02444	25.1
115.00374	2.3
117.01930	3.6
121.02956	53.5
122.03265	1.1
123.00889	5.0
127.00362	1.0
129.01926	2.7
130.82246	0.8
131.03551	0.9
135.04427	0.9
136.98776	1.1
137.02411	1.2
138.03209	2.7
139.00371	2.9
139.04022	4.4
143.03485	1.2
153.05571	38.7
154.05959	1.2
157.01382	1.7
161.59492	1.1
166.99782	1.3
175.02477	2.9
181.01427	2.1
182.02179	3.3
183.02965	13.3
189.03996	1.8
191.01947	3.3
195.02985	1.3
197.04539	69.8
198.04906	2.6
199.67432	1.0
213.59056	0.8
223.04471	5.0
231.05106	2.8
241.03581	1.0
249.06137	52.4
250.06477	1.5
256.05905	2.9
257.06711	5.5
267.07205	18.5
271.08215	6.8
299.07834	1.9
385.11420	2.6
387.09354	3.6
387.20013	0.9
415.09024	1.8
419.27899	1.0
429.10318	13.9
447.11404	100.0
448.11676	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	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03444	4.9
59.01377	21.7
61.98835	8.4
62.45735	0.9
67.01869	2.0
68.99826	1.3
69.03458	1.5
69.24506	2.3
69.24922	6.6
71.01005	1.8
71.01378	22.4
72.99305	10.1
73.02937	3.1
75.00870	19.9
82.10561	0.9
83.01392	3.3
85.02949	36.9
87.00873	11.8
88.98810	1.4
89.00342	2.3
89.02450	8.9
91.01917	1.3
93.03501	1.0
95.01389	6.1
96.96002	3.7
96.97008	1.2
99.00872	12.8
99.77316	1.0
101.02450	2.1
103.00347	4.4
106.00591	4.1
107.01374	1.7
111.00871	3.0
113.02446	34.0
115.00363	1.7
117.01931	4.1
121.02956	46.7
122.03292	1.3
123.00842	2.8
129.01921	3.8
131.03474	1.7
133.01482	1.1
135.04503	1.7
137.02484	3.3
138.03239	3.3
139.00397	4.3
139.04019	2.4
147.03027	1.1
151.04013	1.3
153.04300	2.2
153.05566	37.6
154.05803	1.1
155.03555	1.2
157.01453	1.5
165.01779	1.1
166.99846	2.1
175.02521	5.0
179.03397	1.4
181.01373	3.7
182.02191	3.2
183.02948	4.6
191.01985	4.9
193.03499	2.8
197.04533	66.0
198.04868	1.8
209.02954	1.0
223.02632	1.4
223.04562	5.9
225.07556	1.4
231.05101	1.1
239.05684	3.5
241.03728	1.1
249.06148	25.8
253.07108	1.1
256.05850	3.4
257.06659	2.4
267.07199	28.7
271.08200	9.5
285.03946	1.4
329.08868	1.2
363.20251	1.1
385.11432	3.0
387.09421	1.9
403.12631	1.1
415.09262	1.3
429.10367	7.5
430.10641	1.5
435.26404	1.2
447.11389	100.0
448.11636	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	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43045	0.9
55.01858	1.9
57.03445	6.8
59.01383	35.3
61.98825	3.8
67.01887	1.8
68.99802	3.7
69.03455	2.1
71.01381	24.3
72.99302	8.2
73.02940	1.6
75.00873	17.1
81.03436	1.4
83.01385	2.8
83.04996	0.9
85.02953	29.1
87.00877	9.7
88.98788	2.0
89.00319	2.4
89.02454	7.3
91.01877	1.4
93.03470	1.1
95.01394	5.4
96.95989	2.2
97.02959	1.1
98.20697	1.8
99.00877	13.1
99.04487	1.9
101.02405	2.4
103.00369	1.9
105.01996	0.9
106.00609	2.8
107.01376	4.5
111.00868	5.0
111.04504	1.4
113.02454	26.7
115.00352	3.3
117.01924	4.3
119.03536	1.3
121.02964	48.0
123.00880	3.8
124.01611	1.1
125.02427	4.1
129.01942	3.5
133.05130	1.4
137.02440	2.2
138.03209	1.5
139.00388	4.2
139.04018	5.3
149.99545	2.5
151.04033	2.2
153.01907	1.8
153.05577	37.0
154.02754	1.5
154.05907	1.1
161.04550	2.0
163.87338	0.9
166.99825	1.3
168.00658	3.0
175.02469	3.2
179.05682	1.2
181.01431	1.4
182.02164	3.1
183.02997	13.0
191.01924	2.7
197.04543	63.7
198.04836	1.7
209.93239	1.1
223.04637	4.1
225.04010	1.3
229.00967	1.3
231.05157	4.9
241.03477	1.3
249.06146	48.4
250.06464	1.2
256.05872	3.9
257.06689	5.0
267.07159	17.2
271.08139	5.1
313.05902	1.1
341.17911	1.1
385.11450	1.9
387.09433	3.5
387.20270	1.3
415.08670	2.2
429.10251	12.0
430.10730	2.0
439.34546	1.0
441.72473	1.2
447.11414	100.0
448.11581	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	447.093
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
59.01380	5.4
60.01712	0.3
61.98829	3.1
63.02391	0.3
65.00325	0.5
83.01428	0.5
85.02965	0.4
89.02457	0.5
92.61478	0.3
93.03473	0.3
96.96008	0.8
98.19852	0.5
101.02473	0.5
102.02270	0.2
107.01366	0.7
109.02962	0.2
117.03433	0.4
119.03480	0.3
121.02876	0.2
125.02395	0.5
132.02171	0.3
135.00883	0.3
137.02165	0.2
151.00372	2.6
153.01942	0.3
157.06554	0.3
159.04474	0.4
161.04597	0.3
163.00330	0.6
174.03209	0.2
178.99896	0.4
183.04504	0.7
185.06085	0.6
187.03975	0.9
189.05521	0.2
199.04102	0.5
211.03934	1.9
213.05492	0.4
214.02705	0.3
227.03482	60.6
228.03868	3.9
229.05112	1.4
239.03375	0.5
240.04153	0.3
241.05023	0.4
243.02988	0.3
255.02968	78.2
256.03568	10.0
257.04498	1.4
284.03244	70.5
285.03946	22.1
286.04248	1.1
299.05627	0.3
327.04968	1.2
387.20258	0.7
447.09271	100.0
448.09637	11.4
448.15948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
61.98787	0.9
63.02349	0.8
65.00287	1.1
69.47813	1.3
69.48222	0.5
71.01357	0.7
73.02922	0.4
74.55256	0.3
78.91878	0.3
81.09776	0.2
83.01348	1.1
85.02921	0.5
86.05443	0.3
99.04464	0.3
99.92542	1.2
107.01401	2.8
109.02897	0.8
115.92120	1.8
116.86546	0.3
116.92859	8.8
117.92835	0.3
121.02911	0.9
133.02943	7.1
149.02441	1.7
151.00359	8.9
161.04570	0.3
163.00330	1.0
165.01900	0.4
171.04480	0.3
173.99910	0.3
175.04012	2.6
177.01711	0.3
178.99878	1.5
183.04437	0.4
185.06033	0.5
187.03926	0.4
197.06044	0.4
198.03250	0.3
199.03995	2.3
201.01918	1.0
201.05510	0.3
211.03999	0.9
213.05586	0.6
215.03520	0.4
217.05084	1.6
226.02734	0.4
227.03513	4.4
229.05049	0.6
241.05008	0.9
243.03000	2.7
245.04477	0.3
254.02121	0.6
255.02986	10.9
256.03552	1.3
257.04532	1.0
271.02469	12.0
272.02939	1.2
273.04044	0.5
283.02524	0.4
284.03271	5.6
285.04028	100.0
286.04391	6.9
286.07382	0.5
300.02728	20.3
301.03491	13.9
302.03876	0.8
340.88568	0.3
343.04764	0.3
387.20032	0.3
403.07016	0.3
447.09399	25.8
448.09784	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99162	0.2
57.03424	0.3
58.14392	0.2
59.01380	11.3
59.15214	0.1
61.98545	0.2
61.98837	2.4
63.02390	0.3
65.00317	0.7
66.06282	0.2
71.01385	1.2
72.99329	0.3
73.02956	0.4
75.00867	0.3
78.91885	0.6
83.01394	0.9
85.02944	1.2
89.02457	0.7
96.96004	0.4
101.02455	1.2
107.01408	1.8
113.02448	0.4
119.03512	0.2
121.02936	0.2
133.02951	7.1
134.03282	0.2
135.04507	0.2
137.02380	0.2
149.02448	1.6
151.00365	4.8
161.04565	0.5
173.00952	0.2
174.03175	0.2
175.04005	2.5
179.05623	0.2
185.05879	0.2
187.04027	0.3
197.06032	0.2
198.03214	0.5
199.04005	2.4
200.04443	0.2
201.01939	0.9
213.05589	0.5
217.05103	1.3
223.03952	0.4
227.03461	0.8
239.03348	0.2
240.04311	0.2
241.05063	0.7
243.03030	1.5
255.02986	1.4
256.03781	2.4
257.04401	0.7
267.02933	0.2
267.16028	0.2
271.02524	2.1
284.03271	4.3
285.04025	100.0
286.04382	6.6
299.01785	0.3
300.02753	3.0
301.03436	1.2
302.03696	0.4
303.04010	0.4
314.04300	0.3
342.85193	0.2
387.20114	1.2
447.09280	29.6
448.09558	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	447.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39850	0.6
54.96952	0.6
57.03449	26.7
59.01379	13.8
70.69262	1.8
71.01377	2.4
73.02946	1.4
74.68526	0.5
75.00864	2.5
79.95734	4.1
80.96503	1.5
85.02960	4.3
87.00879	0.7
88.98784	1.9
96.96008	34.0
98.20560	0.9
99.00878	1.2
99.04514	24.6
101.02444	13.2
113.02414	0.8
125.02425	2.5
129.01933	1.4
141.85555	0.7
152.98595	0.7
159.02956	0.8
161.04549	15.8
164.98619	1.5
177.05832	0.5
178.00134	0.6
191.01990	0.9
193.71185	0.6
195.05101	6.8
209.03040	1.9
223.08240	9.6
225.09543	0.6
265.09317	0.9
285.02914	3.1
301.92328	0.6
303.03873	11.2
345.04865	0.6
349.14346	0.7
367.12640	1.2
385.08170	4.0
387.05969	2.4
430.82147	0.7
447.08102	100.0
448.08517	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	446.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.4
61.98830	100.0
68.28888	0.4
69.79033	1.9
71.01386	1.4
73.02929	0.7
78.95890	0.5
82.27942	0.4
82.89651	0.3
84.98807	0.3
85.02953	0.9
87.04510	0.4
89.02452	0.7
96.96059	0.6
98.19901	0.7
98.20490	0.9
101.02438	1.0
116.48446	0.4
140.01186	0.4
161.02480	0.4
209.11877	1.0
210.12195	0.9
211.13379	5.8
240.93990	0.4
249.15182	0.4
253.09258	0.8
272.02719	0.4
352.00195	0.4
395.63687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93652	0.4
56.38444	0.4
58.98056	0.5
59.01382	10.9
61.98832	100.0
67.80075	0.4
71.01390	5.9
73.02949	3.5
83.01380	1.1
85.02962	1.5
89.02455	2.0
89.84043	0.4
101.02480	2.7
113.02489	0.9
119.03481	0.6
152.99615	0.5
161.04587	0.5
207.13916	0.5
207.89751	0.5
211.13509	0.7
225.15030	0.6
257.77759	0.5
285.03998	0.5
387.20483	1.2
405.21310	1.1
447.09103	0.9
447.22253	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	446.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.9
59.01379	26.7
60.01720	0.7
61.98830	100.0
63.96225	0.5
69.27360	3.8
71.01383	5.4
72.99323	0.6
73.02959	1.5
74.02468	0.4
78.91898	0.5
78.95923	0.6
83.01385	0.7
83.05023	0.6
85.02955	4.7
87.00895	1.1
88.98801	2.9
89.02452	2.8
96.96027	4.7
97.93996	0.4
98.01713	0.4
98.20434	1.7
99.00895	0.6
99.04540	0.8
101.02425	2.7
103.29308	0.4
104.34616	0.4
111.00887	0.6
113.02469	2.2
119.03497	1.5
120.01237	0.6
121.03036	0.5
129.01967	1.1
135.04544	1.5
144.04559	1.0
145.06186	0.7
146.06085	0.4
161.04599	1.9
175.04967	0.4
179.03543	1.5
179.05611	0.7
180.95537	0.4
190.05048	1.0
191.01982	0.8
197.04625	0.6
198.67078	0.4
205.12285	0.6
209.11826	4.0
210.12140	2.6
249.09009	0.4
253.09348	0.8
284.03400	1.5
285.04108	1.8
285.08203	0.7
325.20221	0.9
385.19144	0.5
386.19238	0.6
387.20209	2.1
446.22015	1.0
447.13785	3.8
447.22629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66297	0.4
54.73640	0.3
59.01379	100.0
60.01707	0.6
60.16661	0.4
61.98840	2.9
68.21458	0.4
71.01384	3.6
71.52518	0.3
71.52898	0.5
71.78522	0.3
73.02944	1.1
83.01414	0.4
83.02366	0.4
85.02943	2.5
87.91391	0.3
88.47519	0.3
88.98812	0.3
89.02445	3.6
94.76885	0.3
95.68524	0.3
96.96017	0.9
99.00894	0.5
101.02437	2.7
108.95409	0.4
112.23278	0.3
113.02448	2.4
116.92880	0.8
118.98092	0.4
119.03489	2.4
121.02953	2.2
143.03500	0.5
161.04573	1.7
179.05602	0.7
209.11852	0.7
215.12947	0.6
223.13405	1.7
385.22202	0.8
401.08667	0.5
438.12268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11465	0.3
57.03440	0.9
57.45150	0.3
59.01381	100.0
60.01718	1.0
61.98825	2.7
65.83431	0.2
70.81908	0.5
70.82241	0.3
71.01383	5.2
72.99313	0.3
73.02962	1.2
75.82315	0.2
83.01404	0.3
85.02957	2.0
87.00894	0.5
89.02451	4.1
95.01395	0.4
96.96052	0.5
99.00915	0.5
99.04542	0.3
101.02434	3.6
113.02434	2.5
119.03512	2.2
121.02888	0.3
125.02453	0.3
143.03502	0.5
161.04591	1.9
179.05667	1.0
209.11803	1.7
223.13560	0.4
385.22607	1.5
445.25430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45238	0.6
55.01888	1.2
56.94589	0.6
57.03452	1.9
58.00593	3.2
59.01378	100.0
60.01708	1.1
61.93501	0.6
61.98830	8.5
65.49139	0.7
69.43649	5.3
71.01381	54.1
72.01743	1.0
72.26402	0.6
72.99308	4.1
73.02946	1.5
75.00876	1.6
78.82390	0.8
80.02674	1.9
81.03481	1.8
83.01430	1.5
83.05025	0.9
85.02951	11.0
87.00867	1.7
89.02442	70.8
90.02781	1.1
95.01401	3.3
98.19926	1.6
99.04523	17.1
101.02442	29.8
106.24925	0.7
107.05038	1.5
107.08701	2.6
109.06595	1.0
111.04533	0.8
113.02445	21.3
119.03501	32.4
121.06574	3.6
131.03535	3.2
133.06595	0.8
135.08176	1.4
143.03534	3.8
146.04057	0.7
147.08090	1.1
149.04553	2.7
151.70013	0.7
152.04811	0.9
161.04526	4.8
171.11832	3.0
179.05586	11.0
180.05870	0.8
189.12843	47.1
190.13220	3.2
209.11862	0.9
215.10785	0.8
233.11833	8.6
251.12973	1.1
265.14493	9.1
445.20972	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50726	0.3
57.03450	0.5
58.00597	0.5
59.01379	100.0
60.01707	0.9
61.98832	6.1
69.36861	0.7
69.37275	1.5
71.01380	12.1
72.99295	0.7
73.02950	1.3
75.09393	0.3
83.01386	0.9
85.02946	2.8
85.03310	0.3
87.00894	0.8
88.98804	0.4
89.02443	16.2
95.01397	0.6
96.96025	0.3
98.20039	0.8
98.20631	0.6
99.00878	0.5
101.02442	7.4
113.02453	5.8
114.72429	0.3
118.96585	0.3
119.03503	7.1
121.02925	0.4
124.56018	0.3
129.01958	0.5
131.03511	0.7
135.04585	0.7
143.03496	1.6
149.04555	0.6
157.09921	0.3
161.04579	3.7
179.03496	0.5
179.04012	0.5
179.05586	4.1
205.12364	1.1
209.11870	2.0
262.79010	0.3
376.18582	0.3
385.18671	3.7
401.18216	0.5
445.15164	0.5
445.20636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.5
57.03443	1.8
59.01379	100.0
60.01701	1.1
61.98828	2.0
69.18346	5.7
71.01382	13.8
73.02943	1.5
83.05037	2.0
85.02953	5.0
89.02435	9.3
95.01419	1.0
101.02443	7.0
107.05054	0.7
109.78419	0.5
113.02441	5.5
119.03518	4.2
125.06084	4.4
131.03453	0.7
137.09735	0.7
138.06886	1.3
139.07675	0.8
143.03481	1.3
147.08105	0.7
151.07619	1.0
152.08449	1.6
153.09222	5.7
159.03050	1.0
161.04553	5.8
161.09735	0.7
163.11301	18.8
164.11670	1.2
165.09251	1.8
175.11273	2.6
179.05638	1.9
187.11392	1.7
190.09973	0.7
190.99236	0.5
198.53572	0.5
205.12332	38.4
206.12741	1.9
221.06607	3.6
223.13406	3.7
229.12303	0.6
262.14005	0.6
367.17737	0.6
385.18652	2.9
407.49649	0.6
445.20892	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
58.00571	0.4
59.01380	100.0
60.01701	0.9
61.98820	0.9
69.43968	2.9
71.01382	7.9
72.99335	0.4
73.02946	0.7
78.41460	0.4
83.01403	0.9
85.02942	3.0
85.03316	0.3
87.00869	1.9
89.02441	11.9
95.01398	0.7
95.81396	0.3
99.00890	1.0
101.02441	5.6
101.87060	0.3
113.02448	6.9
117.03497	0.4
119.03513	6.3
120.55928	0.4
129.01958	0.5
131.03566	0.7
143.03517	1.4
149.04572	0.7
159.02960	0.5
159.33705	0.4
161.04556	2.5
179.05608	4.1
187.11316	2.6
190.10071	0.5
204.11679	0.6
205.12325	3.8
221.26587	0.4
224.05844	0.4
233.11818	2.1
259.13480	0.8
269.04541	6.2
269.07193	0.4
270.05118	0.6
277.14572	1.5
385.18790	3.7
445.20929	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33434	0.7
59.01382	6.4
60.99325	0.8
71.01376	4.8
71.50278	1.2
72.99307	2.9
75.00871	75.5
76.01196	1.2
78.95907	3.3
85.02953	6.6
87.92555	1.4
88.97755	0.8
88.98790	5.7
89.02442	5.1
92.92805	0.9
96.96015	6.6
96.96960	1.0
101.02434	2.0
103.00372	100.0
103.92028	1.6
104.00697	1.2
113.02448	2.0
115.00347	0.9
119.03490	1.8
133.01396	2.1
135.04535	1.1
156.99074	2.2
161.04552	1.5
170.96957	1.0
179.05591	3.7
185.08278	0.7
191.01927	2.1
209.03075	5.4
245.10069	0.7
246.98567	6.7
251.11566	0.7
293.92221	0.8
341.10876	10.3
342.11243	1.0
409.01645	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01719	0.8
61.98837	4.6
66.67863	0.8
70.15147	0.9
71.51510	1.1
71.96677	0.8
78.95897	5.3
99.92597	8.3
111.74387	0.7
115.92094	6.2
116.92102	1.6
116.92861	12.2
118.89950	3.7
122.11359	0.8
139.55522	0.8
141.09352	0.9
149.00090	8.1
205.15910	5.5
230.79547	0.8
245.87448	0.8
355.16776	23.1
356.17035	1.6
373.11111	1.9
385.17862	12.9
409.12936	1.1
445.10715	2.3
445.19849	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93120	1.0
56.28176	1.1
59.01387	7.0
59.53508	1.0
60.99318	1.2
61.60432	1.0
65.76412	1.2
68.73197	1.1
69.33743	4.0
69.34156	5.2
71.01380	5.3
72.99303	3.2
75.00872	80.3
77.20851	1.1
78.95901	3.5
85.02943	6.9
87.00880	4.3
87.92530	19.0
88.92525	1.2
88.98801	12.3
89.02444	5.1
96.95385	2.5
96.96010	31.8
96.96957	1.8
98.19907	1.7
101.02441	2.6
101.89182	1.2
103.00374	100.0
103.92017	15.1
104.92824	3.7
105.93595	1.9
111.00859	3.6
113.02415	1.8
119.03525	2.3
123.94633	3.8
127.30473	1.2
134.13892	1.3
155.82906	1.1
156.99008	2.9
160.89217	1.7
160.91774	1.8
161.04549	1.4
179.05583	3.3
188.97311	2.8
191.01892	5.9
209.02950	4.4
232.98795	2.0
245.94521	1.5
246.98578	7.8
254.55029	1.2
261.07724	1.3
270.84070	2.6
288.41095	1.2
311.05786	2.3
315.91513	7.7
316.91803	4.3
333.92676	3.1
341.10724	11.0
409.01837	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05310	0.5
50.49763	0.5
55.58953	0.5
57.03447	30.3
57.63748	0.7
59.01377	11.9
59.01828	0.6
63.69484	0.6
71.01377	2.2
73.02946	1.1
79.95727	4.9
80.96513	0.8
83.01344	0.6
85.02944	2.3
89.02458	1.0
96.96004	31.0
98.19761	0.9
99.00906	0.8
99.04517	25.6
100.04871	1.1
101.02438	12.5
113.02431	1.2
120.49306	0.6
123.98963	0.7
125.02431	1.6
143.03461	0.9
161.04549	15.6
164.98615	1.3
221.10260	6.9
244.02568	0.7
283.04797	3.9
301.05969	13.1
343.07156	0.7
356.09677	0.6
365.14612	0.7
383.10181	3.5
385.08038	1.8
445.10159	100.0
446.10550	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	445.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77751	0.4
57.03448	33.6
57.34489	0.4
57.62805	0.5
59.01379	14.6
61.98838	0.5
68.10458	0.3
70.51892	1.2
71.01385	3.0
73.02955	1.3
73.19881	0.4
75.00888	0.4
79.95743	3.7
80.96516	1.4
81.03395	0.4
83.01385	1.0
85.02948	3.0
90.15500	0.5
96.96011	29.9
99.00885	0.7
99.04517	28.7
100.04832	0.6
101.02444	12.9
113.02432	1.3
125.02457	2.0
138.05757	0.4
140.28685	0.4
143.03523	0.6
146.74783	0.4
152.98572	0.6
161.04553	14.5
161.05902	0.8
161.75604	0.5
162.04872	0.5
164.98634	0.9
175.03970	0.5
180.98059	0.6
181.57805	0.4
189.08017	0.4
191.02019	0.6
221.10275	7.3
283.04901	3.4
301.05978	11.3
302.06284	0.6
318.87424	0.4
343.07129	1.1
365.14560	0.8
383.10165	4.1
384.10367	0.7
385.08206	2.1
445.10184	100.0
446.10455	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	445.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
59.01376	11.8
61.65845	0.5
61.98835	6.6
63.02381	1.2
65.00312	1.7
70.59619	0.9
70.59953	0.8
71.01385	3.2
73.02925	2.2
78.95905	3.7
83.01368	2.3
85.02919	2.5
89.02428	2.3
90.73460	0.5
93.03428	0.5
96.96021	0.6
101.02425	3.1
107.01405	4.8
108.02148	1.9
109.02967	3.0
113.02451	1.3
116.92883	0.6
119.03554	0.8
121.02963	3.2
125.02402	0.5
126.77507	0.4
126.90455	0.9
128.83661	0.5
129.01895	0.6
129.30203	0.5
135.00833	1.5
143.57872	0.6
148.01651	2.1
149.02425	1.0
151.00359	19.8
152.99591	6.7
153.01852	0.7
153.09181	0.6
155.11594	0.5
159.04495	0.8
161.02365	0.8
161.04520	0.9
163.00366	6.1
163.45044	0.5
164.01080	0.6
169.01498	0.7
178.99855	11.0
187.03969	0.8
190.99867	0.6
199.03976	1.5
201.05544	0.7
203.03485	0.8
203.32288	0.5
209.11887	0.6
211.03973	1.5
215.03683	0.6
217.14429	21.9
218.14664	1.0
226.02649	2.7
227.03497	5.5
228.03920	0.7
229.04987	1.1
240.04163	0.6
243.02997	13.0
244.03438	1.0
245.04538	2.2
250.85139	0.5
254.02264	2.6
255.02962	27.6
256.03378	1.8
269.02701	2.1
271.02469	66.8
272.02863	5.0
273.03952	2.1
275.02716	1.8
283.02472	4.2
283.05472	0.9
283.15503	1.6
283.52771	1.6
284.03314	1.2
299.02042	1.9
300.02740	89.5
301.03494	100.0
302.03912	7.2
364.55670	1.4
365.05920	5.6
385.18646	0.7
445.07748	55.8
445.17651	10.7
446.08276	12.9
446.18387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01715	1.1
61.02073	0.3
61.02797	0.3
61.98836	1.6
70.48997	0.8
71.01383	6.7
72.99300	0.4
78.54087	0.3
78.95917	0.3
83.01392	0.3
85.02961	1.8
85.57590	0.2
89.02444	9.0
95.01433	0.3
98.20327	0.5
101.02433	3.2
105.95093	0.4
113.02441	3.1
116.92905	0.4
119.03508	3.4
131.03514	0.7
134.59399	0.3
143.03539	0.9
149.04579	0.3
161.04590	1.1
179.05664	2.1
212.64418	0.3
244.72690	0.3
245.17726	1.1
246.17912	2.6
301.06497	0.3
327.21909	0.4
428.11539	0.3
443.22803	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57539	0.3
58.75270	0.3
59.01379	100.0
60.01719	0.6
60.54258	0.3
61.98827	1.5
62.55520	0.3
65.43843	0.3
69.84459	1.7
71.01382	5.1
72.99310	0.6
79.63787	0.3
85.02957	0.8
89.02446	8.1
95.01378	0.5
96.96024	0.6
99.78102	0.4
100.51974	0.3
101.02450	2.0
102.50536	0.3
106.48926	0.3
113.02451	2.3
119.03519	3.3
131.03459	0.4
143.03511	0.7
161.04616	0.5
179.05534	1.8
240.99808	0.3
443.15698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01872	1.4
55.25637	0.4
57.03450	2.2
58.00587	1.1
59.01382	29.4
60.01705	0.5
61.98814	1.5
63.94511	0.3
69.51351	2.6
71.01383	25.8
72.99307	2.2
73.02950	3.8
75.00870	0.7
77.23235	0.4
81.98738	0.4
83.01390	4.1
85.02950	12.8
86.00094	0.4
87.00890	1.3
88.98803	1.2
89.02447	15.4
95.01397	1.7
96.96021	3.3
98.20103	1.4
99.00878	1.9
101.02447	18.2
111.00864	0.5
111.04516	0.8
113.02451	9.9
119.03495	4.6
119.05055	0.7
121.06575	0.5
125.02483	0.5
129.01915	0.6
134.03780	0.5
143.04506	0.6
147.02884	0.4
149.04541	0.5
149.06125	0.4
150.03027	0.4
161.04558	1.1
163.03952	0.8
171.11810	0.8
189.12863	1.1
191.01929	2.5
193.05035	1.9
194.17912	0.4
209.03015	1.3
219.13881	0.9
223.04654	0.4
237.14935	1.3
268.19754	0.4
293.47095	0.5
310.98273	0.4
357.11179	0.4
387.23563	0.4
427.11316	0.5
443.19217	100.0
444.13544	0.5
444.19586	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	443.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01474	0.7
59.01382	5.8
61.98541	0.7
61.98819	4.4
71.01391	1.0
89.02374	0.9
92.92866	1.0
98.20779	1.7
99.92590	14.6
99.93199	1.5
113.54060	0.7
113.98923	0.8
115.92039	1.3
116.92858	100.0
117.01970	2.6
117.92879	4.3
118.89971	3.4
134.89487	2.3
135.90277	1.3
190.40521	0.8
237.04398	1.1
289.88312	0.9
314.75824	1.0
315.23853	0.8
321.04434	1.0
356.71558	0.8
372.10455	1.7
372.27231	0.8
408.12503	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93689	0.7
53.71695	0.7
57.03420	1.0
59.01380	70.3
61.98832	8.5
69.03455	11.7
69.33678	3.3
69.34103	2.0
71.01386	3.8
71.05018	22.7
75.54462	0.6
85.02946	2.8
87.00804	1.0
89.02454	2.2
93.03445	0.6
95.66776	0.7
96.96004	2.0
98.24964	0.9
101.02444	3.3
105.03458	1.1
113.02419	2.1
116.92870	0.9
119.03497	1.8
121.02951	12.2
123.04256	0.7
126.90491	1.0
134.03795	4.1
135.04527	0.8
147.00873	2.2
149.09695	2.8
161.02408	2.9
161.04562	0.9
161.96269	0.7
172.23691	0.6
177.09225	6.1
192.13443	0.7
193.08575	0.8
209.03021	1.1
219.03006	1.0
221.08179	100.0
222.08498	5.5
358.20178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27106	0.9
53.17123	0.7
56.76313	0.9
58.61872	0.7
59.01369	1.8
61.98818	3.3
68.76014	0.8
71.51543	1.6
74.10236	0.9
78.95900	2.9
84.81052	0.8
96.95995	3.0
96.96967	5.0
97.93143	0.9
99.92585	63.3
100.92591	3.7
100.93359	3.0
114.93422	1.8
115.92076	71.5
116.92858	100.0
117.92902	4.6
118.89975	29.2
134.89478	3.3
135.90308	1.4
150.88930	2.7
182.35364	0.8
185.31984	0.7
243.82478	0.7
273.00912	0.9
359.09491	1.8
361.11148	1.7
371.09613	5.1
372.10410	1.1
373.07639	1.0
385.07410	4.4
386.08218	1.1
389.05804	1.7
389.10602	21.4
390.11096	4.4
403.08478	8.1
404.08768	1.0
407.06857	1.8
407.11621	2.1
408.12192	1.8
425.08252	2.8
443.09293	41.7
444.09503	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	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48040	0.5
57.03445	2.3
58.39862	0.6
59.01384	7.4
60.99310	1.3
61.98833	5.4
66.99837	0.5
71.01381	5.1
71.50662	0.8
71.51028	0.6
72.99311	0.9
73.02935	0.5
75.00873	0.8
78.95901	3.9
83.01405	1.1
85.02457	1.1
85.02951	14.2
87.00873	10.9
87.34559	0.5
88.98806	8.6
89.02435	2.4
95.01389	0.7
96.96020	3.8
96.96921	1.3
99.00899	0.8
101.02442	4.0
105.01938	6.1
108.02136	0.8
109.02903	0.6
113.02412	1.2
119.03511	1.1
119.05011	1.5
121.02898	1.0
125.02444	0.9
129.01918	1.4
134.03737	45.0
135.04369	1.0
137.02432	5.7
139.03984	1.9
147.02997	1.4
149.06081	16.3
150.06409	0.9
160.01665	1.4
163.03998	2.6
172.26302	0.5
175.04036	4.1
176.04669	0.9
178.02713	20.3
179.03259	1.0
191.01978	10.2
191.05565	4.3
193.05045	100.0
194.05385	3.7
202.23076	0.6
209.03032	1.3
281.06668	5.0
353.05164	0.7
353.08942	0.8
355.10300	10.7
356.10596	1.3
443.11920	14.5
443.19141	14.6
444.12112	1.0
444.19641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
59.10000	0.7
61.98813	1.9
65.32543	0.6
69.14300	3.6
69.14728	2.3
70.02984	1.6
72.00903	1.7
83.05024	2.7
84.02172	1.2
86.02477	0.9
94.06622	1.5
96.08203	5.6
98.02487	0.8
98.20648	1.3
108.08180	1.1
113.51679	0.7
115.60449	0.6
124.07685	0.8
125.86697	0.8
126.09243	2.3
136.07582	1.1
223.20676	1.8
225.22238	33.4
226.22523	2.0
253.21729	6.2
254.22229	0.6
270.24396	12.7
271.22598	3.8
272.45062	0.7
296.25937	2.6
312.25381	12.3
312.37686	0.6
313.25790	1.4
332.29675	0.7
350.30579	8.9
380.31784	1.2
398.32730	29.6
399.33240	3.0
424.28122	0.8
442.31717	100.0
443.32098	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	443.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03450	6.8
57.53304	0.6
59.01373	3.4
60.99298	3.7
67.62589	0.6
70.63322	1.2
71.01363	1.0
83.01373	1.0
84.02164	1.5
85.02950	70.7
86.03281	0.9
88.98806	22.9
88.99362	1.2
98.19958	0.7
103.00387	1.0
129.01944	2.6
135.04533	0.8
139.10213	0.6
147.03008	4.1
163.07500	0.6
179.03510	1.7
191.01971	100.0
192.02385	3.4
223.01001	0.6
351.67050	0.7
353.01276	1.1
353.05161	9.5
354.05270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	16.9
59.01376	17.8
61.98830	100.0
71.01380	2.3
71.28416	0.9
71.28779	1.3
73.02913	1.1
78.95866	0.9
83.01355	0.8
85.02951	2.8
86.24658	0.8
87.67432	0.7
89.02406	1.0
96.96006	1.8
99.04523	19.3
101.02441	7.3
113.02365	1.4
125.02420	7.0
135.04500	1.1
143.03519	1.8
161.04536	2.3
183.77589	1.0
209.87834	0.8
235.11894	6.4
277.12866	3.1
317.15826	2.0
321.24567	0.9
343.96899	0.8
363.16446	1.5
379.15958	12.6
380.16351	1.1
443.12100	3.5
453.73615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71531	0.8
52.54940	1.0
54.37905	0.8
57.03202	1.6
57.03450	21.8
59.01382	16.7
60.65936	0.8
61.98831	100.0
62.95453	0.9
70.06876	3.4
70.52477	1.0
71.01406	1.1
72.22376	0.8
77.30901	0.9
77.79207	1.0
82.15212	0.9
85.02966	1.0
98.20278	2.7
98.95585	1.0
99.04515	20.9
100.04887	1.0
101.02415	6.8
125.02436	5.7
161.04497	1.2
177.98213	1.0
215.71013	1.1
227.57162	0.9
235.11900	7.1
259.50421	0.9
277.12881	2.8
317.16037	2.2
320.76810	1.0
379.16113	12.0
380.16553	1.2
467.19064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03448	100.0
58.03788	1.2
59.01378	98.8
59.08329	0.8
60.01711	1.1
61.98823	4.3
69.55652	3.7
71.01380	22.8
72.99298	1.0
73.02939	7.2
81.03448	1.7
83.01400	4.8
85.02948	13.5
87.00815	1.0
89.02447	5.3
95.01369	1.7
96.95995	4.5
99.00841	2.7
99.04519	79.9
100.04839	1.1
101.02440	36.0
113.02456	8.4
115.94610	0.7
119.03415	1.4
123.82275	0.7
125.02452	22.5
129.01857	0.9
143.03380	2.7
159.02913	1.3
161.04543	6.3
179.03258	1.1
199.26822	0.7
251.10904	1.1
293.12070	1.3
297.12720	21.4
297.16385	1.9
298.13348	1.6
339.13544	2.4
405.20065	9.5
405.25775	1.0
441.13071	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	441.1892
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
50.88072	4.5
57.03442	11.3
59.01377	21.8
60.00078	5.0
69.59999	29.8
71.01381	5.0
74.84770	4.2
76.72176	5.1
85.02950	19.4
88.35300	4.4
88.98795	7.4
96.96018	12.2
97.55289	4.1
99.04561	5.5
101.02444	6.8
191.01886	6.0
272.98309	4.3
274.13290	4.3
361.14941	8.2
441.10349	10.8
441.18970	100.0
442.19351	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	441.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03440	3.3
58.82151	0.8
59.01379	39.2
61.98838	5.7
71.01381	31.0
71.51108	1.7
72.99304	1.9
73.02941	8.0
75.00880	1.2
83.01392	3.6
85.02946	16.1
87.00857	2.1
88.98799	1.4
89.02444	16.1
95.01402	1.7
96.96020	5.1
97.02896	1.4
99.00865	2.4
101.02439	22.4
101.95090	1.0
107.66737	0.9
111.00904	1.8
113.02449	9.9
116.92873	1.6
125.02439	1.7
128.03499	0.9
129.01895	1.8
131.03503	10.8
143.03470	1.3
145.06213	1.0
147.74626	1.0
149.04529	3.3
159.03021	2.5
161.04533	8.7
177.21243	0.9
214.94754	0.9
241.00023	0.9
249.13419	18.8
250.13745	1.6
284.01624	0.9
321.19150	0.9
373.41400	1.1
381.17648	100.0
382.18036	7.7
410.12878	0.9
410.23135	0.8
441.19043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.5
61.98822	8.2
68.99575	2.4
70.66556	5.3
71.01011	3.5
71.01381	43.6
72.99311	14.8
81.03457	1.8
83.05026	4.3
84.02213	2.4
85.02971	2.3
91.97349	1.8
95.05030	1.6
96.95985	5.3
96.96966	3.4
97.93130	1.8
99.92527	2.0
112.98566	4.9
115.00370	17.6
116.84904	1.8
116.92902	4.2
123.08188	2.7
125.09689	4.4
127.07642	7.3
133.01463	13.1
135.08081	2.4
139.07625	3.0
153.09224	7.9
163.11299	4.2
165.12840	2.2
171.10234	13.9
176.65454	1.7
185.11819	9.7
191.14445	2.8
197.11784	12.0
209.11827	48.7
210.12218	3.3
238.12123	5.6
245.19093	2.5
279.19739	2.8
289.18063	7.7
307.19147	94.3
308.19391	5.4
325.20181	100.0
326.20389	5.5
423.20093	4.5
441.21255	7.1
464.33408	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	441.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01369	2.9
59.11040	0.5
60.99306	12.5
61.98823	1.0
67.50836	0.6
71.01380	1.8
74.02430	1.1
75.00880	0.7
85.02955	7.2
88.98804	100.0
89.02393	0.8
89.99147	1.2
93.29188	0.6
96.96011	2.7
98.95594	0.6
99.04520	2.3
101.02460	1.4
109.02945	0.8
113.02364	0.7
115.92092	0.6
116.92905	0.7
119.04971	1.0
119.40768	0.6
125.02460	0.9
125.97816	1.3
128.03542	1.7
129.01924	0.6
139.99323	0.6
141.00110	0.8
143.04634	2.6
151.04027	0.9
153.97298	1.6
155.98872	1.2
163.04095	0.6
166.05110	3.4
168.99626	8.8
171.49031	0.7
191.01959	2.2
207.08731	1.0
209.03070	2.9
224.17593	0.7
254.07745	0.9
272.08978	1.9
298.03879	0.7
351.12921	1.5
365.15308	0.7
441.19559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03447	100.0
57.53671	0.7
58.03788	1.1
59.01378	78.0
59.49166	0.7
60.99308	6.5
61.98830	1.4
71.01382	22.8
71.48504	0.7
73.02944	7.5
81.03475	0.7
83.01392	3.3
85.02953	13.1
87.00891	1.3
88.98803	47.5
89.02446	5.8
90.20657	0.6
95.01396	2.4
96.96022	2.2
99.00894	2.6
99.04516	77.5
100.04879	1.7
101.02441	31.1
113.02455	10.2
119.03506	1.3
125.02438	24.3
135.04527	1.7
143.03519	3.0
155.79121	0.9
159.02968	1.6
161.04559	12.0
163.46666	0.7
250.80963	0.6
297.13416	19.4
298.13834	1.5
339.10770	0.7
339.14304	3.5
405.21301	1.2
441.18073	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	441.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03447	33.4
59.01377	29.5
59.16038	0.5
60.99303	13.7
61.98829	2.5
71.01376	10.8
71.40414	0.8
72.99334	0.7
73.02933	3.0
82.35084	0.6
83.01392	1.8
85.02945	8.5
87.00895	0.6
88.98802	100.0
89.02444	3.3
89.99141	1.0
96.96007	8.2
97.03001	0.5
97.56577	0.5
99.00883	1.0
99.04518	25.4
101.02437	12.5
110.10188	0.5
111.00895	0.7
113.02436	3.7
119.03455	1.1
123.04492	1.1
125.02435	8.3
129.01860	0.7
135.04521	10.2
136.04866	0.6
143.03465	1.1
149.06102	0.8
149.27347	0.5
161.04539	3.8
169.12325	1.1
191.01920	1.1
267.12305	0.6
285.09476	0.5
297.13409	4.3
301.23953	0.5
305.08670	0.5
330.00421	0.6
361.18604	1.6
387.06400	0.6
405.21255	10.8
441.13531	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	440.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47853	0.3
52.20082	0.4
59.01378	4.2
61.98831	100.0
71.01374	0.5
72.77326	0.4
85.02974	0.6
99.92622	1.1
115.92129	0.4
116.92044	0.4
116.92878	0.6
133.01299	0.4
152.51505	0.4
191.02090	0.4
209.54640	0.3
257.55353	0.4
326.11743	0.3
437.61850	0.3
439.98563	1.4
440.99002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37531	0.6
59.01384	1.9
61.98829	100.0
65.30677	0.6
71.07241	0.9
71.07593	0.9
78.88522	0.6
82.05573	0.5
85.02995	1.0
92.88038	0.7
96.36697	0.6
101.88093	0.7
112.98633	0.6
115.07668	0.8
115.92106	1.5
116.92881	1.6
122.89357	0.6
139.01625	0.6
151.55255	0.7
158.01332	0.7
160.01018	2.1
164.00093	0.6
169.08699	1.8
171.10274	4.2
207.10257	1.4
225.11363	1.8
227.13087	0.8
279.19565	0.8
305.17657	1.1
323.18704	1.8
341.19772	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	440.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	34.5
58.03786	0.5
59.01379	6.9
61.98829	100.0
69.45261	0.5
70.18404	1.1
70.18782	1.5
71.01382	6.0
73.02931	0.7
79.95753	1.0
81.03464	0.5
85.02947	2.4
87.00889	0.7
87.04536	0.5
96.96015	3.7
97.02971	0.8
99.04517	30.9
100.04790	0.5
101.02454	9.2
113.02474	0.7
113.27850	0.4
118.52802	0.4
125.02443	15.6
143.03481	1.1
151.47833	0.4
154.42175	0.5
161.04546	14.4
162.04822	0.5
214.77371	0.4
249.09813	0.5
338.08600	0.7
370.66837	0.5
377.14319	0.8
440.14240	1.6
441.14246	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	100.0
58.00604	1.6
59.01382	14.6
61.65487	1.1
61.98830	29.4
70.10529	5.0
71.01382	20.3
79.95738	1.4
81.03465	1.8
83.38424	1.4
85.02946	8.3
89.02425	1.9
96.96011	20.2
99.04518	86.3
101.02435	25.9
107.04989	1.5
113.02436	1.3
117.05553	1.3
117.94375	1.3
124.25894	1.2
125.02445	44.2
126.02757	1.4
129.01891	2.1
143.03467	2.5
160.11212	1.2
161.04556	42.5
179.03499	14.0
191.02110	1.5
279.09131	2.2
321.08359	1.7
338.08585	3.0
440.14551	6.0
441.14072	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	440.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43475	0.3
54.47456	0.3
57.03447	35.0
58.03785	0.7
59.01382	5.7
59.98508	0.6
61.95610	0.3
61.98830	100.0
70.55943	0.4
70.56277	0.8
71.01381	6.5
72.40876	0.4
79.95749	0.5
81.03442	0.6
85.02956	1.3
87.00907	0.4
88.98817	0.4
96.95385	0.6
96.96014	11.9
99.04517	30.6
100.04884	0.4
101.02437	8.3
113.02483	0.5
117.05602	0.7
125.02445	16.0
126.02806	0.6
134.03725	0.5
135.04581	0.4
139.11295	0.3
143.03534	1.3
161.04547	14.2
162.04901	0.4
178.02832	0.4
179.03493	0.4
191.02087	0.4
193.05078	0.8
199.13396	0.6
209.03015	0.4
261.07706	0.4
279.09045	3.4
289.09393	0.4
316.20724	0.3
321.10443	0.7
338.08511	0.8
351.10986	0.4
381.12335	0.8
396.15262	0.5
440.14069	1.8
441.14319	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	439.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28098	0.4
69.28517	1.5
78.95905	5.4
79.95726	2.4
95.83296	0.2
96.96014	100.0
96.96926	12.1
97.34866	0.2
97.95982	0.2
98.20727	0.3
98.60031	0.2
225.71454	0.2
235.93396	0.2
308.31058	0.2
316.31955	0.2
335.48706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
59.17157	0.3
67.44110	0.2
69.18318	0.5
69.18719	2.3
74.05669	0.3
79.95734	31.3
89.02453	0.3
92.58984	0.3
95.95239	1.0
96.96010	100.0
97.95934	0.3
101.02421	0.4
107.47604	0.3
109.17133	0.3
109.96770	0.7
110.97597	1.7
118.38943	0.3
136.99100	0.4
141.39357	0.3
141.95787	2.2
167.00208	1.0
204.25769	0.3
211.39375	0.3
219.40503	0.3
283.09683	0.3
299.08972	0.5
313.10721	0.7
330.55731	0.3
344.12888	0.5
359.14999	0.8
424.08221	0.6
439.10645	65.9
440.10959	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	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50402	0.4
55.14457	0.4
57.03448	0.9
59.01373	4.0
61.98830	4.7
71.01383	1.8
71.52156	0.7
72.71001	0.4
78.95919	0.6
79.95737	54.7
80.96527	0.8
83.08601	0.4
85.02950	4.4
85.08332	0.4
87.00873	0.5
89.02456	0.9
95.95229	16.2
96.96010	100.0
99.04518	0.7
101.02412	0.9
108.02242	0.5
110.97583	6.6
111.00854	0.6
123.04475	0.6
129.01964	0.6
133.02966	0.9
135.04469	0.5
137.02466	2.7
141.95757	2.6
149.99959	1.9
151.00639	0.6
160.05344	0.6
161.02449	3.0
163.03990	0.7
175.07645	0.9
177.05573	1.0
191.01924	0.7
209.03067	2.0
235.09747	1.3
257.01233	0.7
259.02902	2.1
273.04352	0.7
277.12225	0.5
315.05493	0.5
329.13986	1.4
377.16287	0.4
424.08240	3.0
439.10654	93.9
440.11053	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	438.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.5
61.98816	2.0
66.03289	0.6
71.01386	5.9
72.99315	0.6
75.76173	0.6
76.31572	0.5
76.52862	0.6
78.95908	14.9
78.96382	0.7
80.24667	0.6
88.15367	0.6
88.56377	0.5
96.53822	0.6
107.31939	0.6
122.00151	1.2
140.01231	4.6
152.99567	1.5
196.03770	7.5
214.04913	1.4
241.21718	100.0
242.22028	6.3
438.26227	28.8
439.26614	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	439.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
57.84187	0.3
59.01369	1.0
70.99183	0.7
71.01385	2.4
72.99308	0.5
73.02955	0.7
79.95737	4.0
80.57584	0.3
80.96516	2.5
85.02972	1.5
87.00880	0.6
89.02435	0.4
95.01321	0.3
96.96009	100.0
97.95956	0.5
98.20297	0.4
99.00893	0.4
101.02416	1.5
102.33918	0.3
113.02453	0.7
122.97562	0.8
123.00902	0.6
125.02488	0.4
128.03543	0.8
130.06171	0.3
138.03212	0.7
138.96068	0.7
138.97081	9.8
138.98170	0.5
143.03522	0.5
150.97037	1.3
164.98624	0.8
166.99878	0.8
168.98129	0.8
180.98116	0.8
182.02176	2.8
191.01976	0.5
197.04579	3.3
209.03094	0.4
222.99153	2.0
241.00235	56.4
242.00574	2.2
304.06125	0.7
361.97232	0.4
416.18771	0.3
439.05478	25.5
440.05927	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	438.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	0.6
59.01379	18.7
61.98829	100.0
62.36006	0.4
62.71302	0.4
69.44453	2.4
71.01373	1.9
73.02943	0.7
75.44881	0.4
77.77877	0.5
78.95878	0.5
85.02953	1.1
87.00870	0.4
96.96027	0.5
99.65023	0.4
101.02462	1.4
113.02464	0.5
115.92146	0.4
142.00302	0.3
142.99341	0.4
194.09787	0.4
289.16614	1.3
375.27701	0.5
438.12302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
60.81972	0.4
61.98829	100.0
63.66143	0.4
65.25433	0.4
69.48057	2.7
71.01393	0.7
85.02972	1.6
89.02455	0.8
90.91246	0.4
96.96069	0.4
98.19812	0.6
191.76862	0.5
313.10208	0.5
354.30615	0.5
375.20258	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	437.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03449	70.1
58.03783	0.9
59.01379	100.0
60.01699	1.0
61.98827	6.8
71.01380	31.6
71.51234	1.0
72.99310	2.5
73.02940	8.3
74.02458	1.3
75.00896	1.1
78.95907	1.4
79.95761	1.0
80.96504	0.9
81.03454	1.2
83.01383	5.4
85.02952	16.7
87.00867	2.2
88.98802	1.9
89.02440	12.5
92.82981	0.8
95.01373	1.8
96.96011	10.9
97.02959	1.5
98.95612	0.9
99.00874	2.5
99.04518	62.0
99.92568	1.7
101.02442	34.4
111.00871	2.2
113.02448	10.1
115.03989	0.9
115.92084	10.8
119.03449	1.9
125.01533	1.4
125.02443	22.5
125.09712	1.1
126.90515	1.2
129.01938	1.9
131.03494	3.2
135.04556	1.4
143.03491	2.9
149.04573	3.1
159.02959	1.8
161.02469	1.9
161.04541	8.4
184.95473	1.6
201.11284	2.5
233.06662	1.5
246.96750	0.8
293.09094	1.1
293.12509	1.8
293.16013	9.8
305.16061	6.6
335.17084	3.3
345.15308	1.9
407.17303	2.6
437.09473	2.0
437.20389	24.6
438.20584	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	438.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.2
61.98830	100.0
67.28015	0.6
70.82404	1.3
70.82737	1.1
71.01359	0.7
77.69936	0.6
85.02950	1.9
90.90251	0.8
94.52608	0.6
96.95981	0.6
97.33324	0.5
101.02471	1.2
111.04341	0.6
115.92033	0.6
116.92046	0.6
118.21386	0.6
128.11638	0.6
201.11368	4.0
202.11613	4.1
253.09392	0.7
288.76685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.9814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18809	0.3
54.51808	0.3
55.01870	0.6
57.03448	2.6
59.01375	2.1
61.98821	0.8
62.98996	0.3
65.04086	0.2
68.99818	0.4
69.04681	0.3
71.01381	1.7
72.99303	2.0
73.02951	0.5
75.00867	0.5
83.01398	1.0
84.02159	0.6
85.02950	17.4
85.64425	0.3
87.00880	0.5
96.96004	4.9
98.95596	3.5
98.96400	0.6
99.00891	1.1
99.45631	0.3
99.92580	11.8
100.92701	0.4
100.93361	4.6
101.02451	0.6
103.00337	0.7
111.00912	0.7
115.92074	100.0
116.92081	5.1
116.92863	7.5
117.03487	0.4
119.05017	1.3
121.02950	0.4
127.00357	0.8
128.03571	0.4
129.01947	3.3
132.92357	1.2
133.02960	1.2
134.03729	1.1
145.02965	1.4
147.02994	3.8
151.04082	0.4
163.04016	0.8
164.07277	0.3
166.94322	0.5
169.00597	2.3
173.00870	0.5
184.95462	11.8
185.95497	0.5
191.01974	7.2
191.03662	0.5
193.05066	0.4
209.02983	1.4
210.93393	1.0
210.95433	0.3
212.99611	0.7
228.94542	0.4
232.92290	0.3
232.95338	0.3
238.23984	0.3
244.95444	0.7
246.96960	0.8
250.96552	0.3
254.92390	1.1
262.96500	0.3
369.05026	0.4
387.00909	0.5
389.03339	0.3
405.02252	0.4
418.96967	0.7
436.98209	1.3
437.07574	0.9
437.15845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.9817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78513	0.2
59.01382	2.2
61.98837	3.6
71.01371	1.1
73.02957	0.3
78.95907	2.1
79.95747	0.2
83.01391	0.3
85.02946	2.2
85.82780	0.2
88.98810	0.4
89.02456	0.8
96.96021	3.0
96.96960	4.1
98.20159	0.2
98.95603	2.2
98.96287	0.3
98.96439	0.3
99.00871	0.5
99.92584	10.4
100.92665	0.4
100.93357	4.1
101.02448	0.7
101.93375	0.3
108.02158	0.4
115.92080	100.0
116.92088	4.7
116.92877	5.4
117.03513	0.3
117.92620	0.2
119.05032	0.3
123.04527	0.3
125.02456	0.3
128.03563	0.2
132.92386	1.4
134.03722	0.2
138.94980	0.5
140.96489	0.4
145.02914	1.0
149.02394	0.3
150.03244	0.3
152.01147	0.3
163.04063	0.2
165.05531	0.5
167.03528	0.8
180.99120	0.8
184.95473	18.4
185.95561	1.3
191.02016	0.7
210.93442	0.6
212.08351	0.3
215.03329	0.3
228.94398	1.0
241.00130	0.2
244.95413	0.5
254.92447	0.3
255.08556	0.2
262.96521	0.4
374.98535	0.3
377.18198	0.3
437.08331	0.8
437.15338	0.6
437.20679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.9814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.1
59.01112	0.8
59.01380	12.8
61.98835	3.2
65.84892	0.5
69.87049	1.7
69.87463	1.3
71.01380	5.1
72.99322	2.8
73.02924	1.0
74.08662	0.5
75.68307	0.5
79.95729	1.0
83.01377	1.5
85.02958	4.8
87.00854	1.2
88.98799	0.7
89.02439	1.2
90.42216	0.5
93.03436	0.8
96.96007	6.6
98.19952	0.6
98.95593	3.3
99.00884	1.9
99.04528	1.1
99.92583	43.3
100.92588	1.7
100.93357	5.9
101.02430	2.6
102.32430	0.6
108.21717	0.5
113.02423	1.0
114.94930	1.0
115.92078	93.7
116.92071	4.9
116.92860	19.3
117.03477	4.6
119.05028	100.0
120.05359	8.0
121.02937	1.0
122.44153	0.5
129.01927	1.2
132.92337	1.6
133.02951	0.7
134.03773	0.6
142.94420	20.8
143.94463	1.1
145.02948	14.7
146.03287	0.8
147.04498	0.6
149.00960	1.0
149.02336	0.6
156.92464	0.7
163.04002	15.3
164.04263	0.8
173.00868	0.6
175.03943	0.7
183.94679	1.9
184.95480	5.1
201.11339	1.0
203.03477	1.8
209.02992	0.6
217.96863	1.1
218.97385	1.2
228.94420	5.2
229.14349	0.7
232.95338	0.9
234.97055	1.7
246.97029	11.3
247.97282	1.0
261.95795	2.0
273.16125	2.7
278.96085	4.7
290.18716	1.5
291.05136	3.1
293.15848	0.7
316.16650	33.7
317.16968	8.5
330.99118	5.0
345.15485	1.1
374.98206	2.3
406.97098	4.0
436.22318	10.0
437.09705	1.8
437.20850	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.9818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
56.42858	0.4
57.03450	1.0
59.01377	5.3
61.95766	0.4
61.98820	1.3
68.81921	0.4
70.91952	0.7
71.01374	2.2
72.99310	4.8
73.02917	0.5
79.95730	1.3
83.01414	0.7
85.02947	4.8
87.00864	0.7
89.02469	0.4
95.25011	0.4
96.96008	15.5
98.95598	17.3
98.96413	2.5
99.00867	1.2
99.92582	27.1
100.92618	1.2
100.93346	7.2
101.02422	0.7
110.59573	0.4
111.00899	0.5
113.02524	0.6
114.94952	0.7
115.92076	100.0
116.92081	4.6
116.92863	15.6
117.03467	3.3
117.92828	0.6
119.05025	15.7
120.05354	1.1
129.01932	2.3
132.92354	1.2
134.03740	0.4
138.94943	0.4
142.94417	12.7
143.94524	0.9
145.02946	11.1
146.03317	0.6
147.02950	0.8
147.04543	0.6
156.92340	0.4
163.03986	5.5
173.00946	1.4
175.03995	0.7
183.94690	1.2
184.95462	11.0
185.95610	0.5
203.03462	1.1
210.93457	1.0
217.96802	0.6
218.97473	0.6
222.34795	0.5
228.94432	11.9
229.94455	0.7
234.97069	1.8
241.00177	2.8
246.97000	10.8
247.97151	1.3
257.08533	1.5
260.94989	0.7
261.95825	0.9
262.96481	1.5
275.09650	0.6
278.96048	1.6
291.05017	1.5
301.06519	0.4
316.16650	3.2
317.17108	1.1
330.99231	1.3
337.05563	2.0
339.62674	0.5
356.97198	1.0
374.98102	11.3
375.98346	1.4
436.22446	1.4
437.08902	0.8
437.14590	5.0
437.20056	0.5
437.23117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.9813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09914	0.9
54.89876	1.0
55.01876	1.6
57.03439	2.0
59.01378	8.7
59.24482	1.0
61.98837	2.4
68.99782	1.1
69.61700	5.2
71.01382	9.4
72.99306	12.9
73.02952	3.9
83.01377	7.4
83.26919	1.0
83.64285	1.1
83.93087	1.0
85.02948	10.4
87.00852	1.5
89.02441	1.4
93.03463	1.1
96.40037	1.1
96.96012	13.2
98.95596	14.1
98.96346	1.8
99.00867	5.4
99.92584	73.2
100.92590	3.5
100.93358	10.4
101.02431	4.2
113.02454	1.9
115.92076	100.0
116.92112	4.3
116.92856	72.5
117.03442	7.3
117.92862	3.5
119.04986	7.1
119.49476	0.9
121.02938	4.0
123.04468	1.9
123.20269	1.2
127.00365	5.3
129.01955	1.3
132.92365	1.7
133.02969	1.8
134.03752	11.6
135.04488	1.4
138.94910	3.0
141.93683	1.2
145.01456	4.6
145.02943	20.0
149.02444	2.3
156.92340	4.6
157.06546	1.4
161.04523	1.7
163.04013	2.6
179.03503	1.5
182.93930	1.7
183.94650	2.0
184.95464	4.8
187.04170	1.1
189.00356	1.3
191.01970	3.2
198.93327	1.7
210.93398	5.2
218.97499	2.1
227.93727	2.5
228.94409	7.6
232.95470	2.7
234.96884	2.6
239.93610	3.0
244.95352	5.2
246.97047	7.9
248.94931	3.8
250.96487	1.3
254.92387	16.3
255.92798	3.3
256.93869	3.8
260.94995	1.6
261.95657	1.4
262.96454	6.6
272.93445	4.6
289.95322	1.6
330.99118	2.3
372.96365	3.0
374.98022	6.3
400.96033	3.0
401.14185	2.1
418.97070	9.7
436.98151	19.0
437.04965	1.3
437.06012	1.1
437.11862	1.6
437.20087	1.8
437.98312	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50275	0.3
56.10267	0.3
57.03456	0.6
59.01381	100.0
60.01709	0.7
61.98831	3.7
69.21272	2.5
69.21689	0.6
71.01383	5.7
73.02969	0.6
78.95925	0.5
83.01406	0.7
85.02963	1.4
87.04514	3.0
89.02450	0.5
96.96027	0.6
101.02441	1.3
113.02454	1.1
119.05066	0.4
126.90570	0.6
153.31647	0.3
162.69682	0.3
181.12486	0.5
199.13422	1.3
208.50935	0.3
213.09300	0.6
253.14496	0.7
343.17615	10.7
344.18130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.9579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
62.96413	1.2
66.75914	0.7
67.27589	0.5
70.25170	1.0
70.25565	1.2
71.01381	1.2
78.95904	100.0
83.01390	0.5
84.67768	0.5
85.02957	1.6
87.00909	0.6
87.92530	31.3
89.55938	0.5
96.96027	4.0
96.96963	17.8
99.53517	0.5
103.92032	36.4
104.92806	21.7
105.93567	5.2
106.94371	1.0
108.97768	0.5
110.46342	0.5
110.98527	1.5
111.00902	1.2
112.93359	0.5
112.96894	0.8
114.94935	0.8
123.94674	3.9
127.92051	1.0
127.95640	0.8
128.03592	1.0
128.96530	0.7
138.98018	1.7
140.04977	0.6
143.95201	0.8
144.95941	15.0
145.96738	10.5
146.98526	0.7
147.94656	1.0
155.95160	1.5
156.95932	13.6
158.92545	15.1
158.93794	0.8
161.96210	21.8
163.97835	0.9
167.98782	1.1
171.94566	0.8
172.95427	1.1
173.92596	1.7
173.96207	1.9
174.97984	2.6
185.99843	2.4
189.95706	3.6
191.01900	1.4
192.99036	2.9
195.98351	1.4
197.96249	0.7
199.94122	14.9
199.97716	0.6
200.94926	15.3
201.95113	1.0
209.03018	0.7
211.00125	11.2
211.02072	0.8
213.99245	3.0
217.95160	4.9
225.01695	8.4
228.94318	0.9
239.97240	0.7
241.95181	0.8
243.02736	8.5
243.96788	0.7
245.94623	1.0
254.94806	0.7
257.98300	42.7
258.98575	2.1
261.76724	0.6
261.94156	6.0
272.95688	5.0
283.96255	15.5
284.96552	0.7
287.95734	1.2
301.97278	7.0
304.06003	0.7
304.98318	7.7
318.11304	0.6
322.99393	9.5
331.94653	3.0
345.96375	0.7
437.02512	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55315	0.7
55.76374	1.0
57.03430	3.1
59.01379	35.3
61.01787	1.1
61.98540	1.1
61.98828	15.1
65.03955	1.3
70.37417	2.1
71.01371	4.6
72.99329	0.9
73.02943	1.4
74.73445	0.8
76.14219	0.8
82.95412	12.2
83.01365	1.3
85.02967	5.3
87.04522	1.1
89.02416	3.1
91.01872	0.9
93.03470	9.8
95.05010	2.3
96.95986	2.1
99.04509	1.1
101.02386	2.8
103.00315	0.9
107.04990	2.4
109.02945	20.6
113.02418	2.3
113.05976	1.0
117.03417	2.5
119.03459	2.0
119.05016	4.2
121.02937	1.0
123.03664	0.9
123.04524	13.7
125.02396	2.0
126.99554	1.2
128.99272	6.8
129.01900	1.2
129.03644	1.3
133.02924	3.0
135.04494	1.3
137.02419	1.6
145.02951	7.9
147.04443	3.2
150.03127	1.3
151.04005	33.7
152.04335	1.1
152.09337	0.9
153.01932	2.3
159.04480	2.0
159.75114	0.9
161.02455	2.1
161.15086	1.0
163.03937	1.8
175.14983	0.9
176.01126	1.5
177.01935	23.1
178.02266	1.0
179.03413	1.1
187.04008	2.4
189.01921	45.4
190.02686	10.8
191.03517	10.1
199.13399	16.4
203.03433	5.3
203.07074	0.9
213.27547	0.9
216.00630	7.4
217.01405	33.1
218.01938	3.7
218.99454	0.9
219.02963	12.3
229.04912	1.5
229.08595	1.3
231.02962	11.5
232.03320	1.7
241.04991	1.3
253.09254	2.1
255.15990	2.3
269.04462	1.0
271.05994	3.3
273.07660	13.5
274.07950	1.1
281.04559	2.4
283.05933	1.9
289.07217	4.3
297.07605	2.1
311.05566	6.0
323.05569	1.6
341.06631	100.0
342.07043	9.3
362.29935	0.9
362.65073	1.0
369.17487	1.0
375.23776	1.0
392.43414	0.9
435.04211	1.5
435.10733	37.3
435.22028	7.9
436.10809	4.4
440.63242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
59.39513	0.6
61.98827	1.4
80.68108	0.6
82.35466	0.7
82.52406	0.7
90.46287	0.6
93.82391	0.8
98.20101	4.2
98.20774	1.3
126.90508	100.0
129.84274	0.6
144.02217	0.6
182.98218	0.7
199.04185	0.6
270.92853	0.7
299.14154	0.7
375.53165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17348	0.3
51.76083	0.3
54.88875	0.3
57.03449	1.6
59.01382	2.4
61.98814	0.6
64.73050	0.3
71.01378	0.9
71.50919	0.6
72.99308	0.4
79.95729	2.3
83.01374	0.5
84.02186	0.4
85.02952	16.4
87.00890	0.4
88.98814	2.0
89.02460	0.4
96.96011	100.0
101.02398	0.4
112.82150	0.3
113.92616	2.3
119.05029	0.3
129.01929	0.6
140.07172	2.0
141.07526	0.5
145.02919	0.9
147.02995	1.7
165.62582	0.3
173.00960	0.5
179.03505	0.3
182.96150	0.4
182.99780	0.3
191.01970	18.2
192.02316	0.3
213.11328	0.4
288.98889	0.8
337.05664	1.3
375.16086	0.3
378.42313	0.3
408.88010	0.3
435.19028	0.4
452.86224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03452	12.9
58.00596	1.0
58.01610	0.7
59.01377	20.6
61.98831	5.8
68.99799	0.8
70.36343	1.6
70.36714	1.4
71.01379	12.3
72.99320	4.5
73.02946	1.5
74.02475	0.8
75.00874	2.8
78.95916	0.7
80.91680	7.3
81.03451	0.8
83.01382	3.4
83.04984	0.8
84.02165	2.3
85.02950	100.0
86.03284	2.7
87.00878	2.3
88.98793	1.5
89.02457	4.4
89.35797	0.6
89.65966	0.8
93.03470	1.5
93.90852	0.6
96.96010	21.7
99.00915	1.1
99.04514	1.5
99.92563	0.8
101.02452	3.7
110.84082	0.6
111.00881	7.1
113.02460	1.7
115.00368	1.7
116.92864	1.5
119.05000	0.8
121.02972	1.3
123.04534	4.1
125.02449	1.5
128.03490	0.8
129.01945	15.8
133.01413	3.1
133.02928	0.7
133.06680	0.7
134.03717	1.4
135.04539	1.5
136.00655	0.7
143.04628	1.5
147.02998	9.0
151.04057	0.8
161.02473	0.8
161.04558	2.4
162.96960	0.7
163.04002	0.9
173.00914	1.5
179.03391	1.0
185.06090	0.7
191.01979	31.1
192.02287	1.0
197.04533	1.7
198.95874	1.1
199.09877	1.0
202.35556	0.7
205.03502	6.1
209.03026	48.6
210.03317	2.6
214.53064	0.7
229.08681	2.0
242.94839	2.0
255.08963	0.9
261.77539	0.8
273.04645	0.7
273.07709	1.5
293.08786	0.7
335.25821	0.8
337.15018	1.1
351.76361	0.8
375.16574	1.3
391.15320	0.8
399.26065	0.9
435.06287	1.3
435.13004	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	434.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57259	0.2
58.02982	0.3
59.01379	3.7
60.01710	0.4
60.46766	0.2
61.98830	100.0
70.37749	0.6
71.01407	0.3
71.05026	0.2
74.02493	0.7
75.00884	0.2
85.02975	0.6
86.02467	0.3
99.05661	0.5
101.02470	0.3
113.02415	0.3
119.05055	0.3
128.03537	1.1
136.39145	0.2
143.04620	2.2
146.04578	0.4
151.00328	0.3
155.22739	0.2
167.08318	0.2
179.04726	0.6
208.89583	0.2
210.08942	0.5
254.07634	1.0
272.06482	0.6
272.09036	1.3
434.12430	0.4
434.20013	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	434.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03452	12.9
58.00596	1.0
58.01610	0.7
59.01377	20.6
61.98831	5.8
68.99799	0.8
70.36343	1.6
70.36714	1.4
71.01379	12.3
72.99320	4.5
73.02946	1.5
74.02475	0.8
75.00874	2.8
78.95916	0.7
80.91680	7.3
81.03451	0.8
83.01382	3.4
83.04984	0.8
84.02165	2.3
85.02950	100.0
86.03284	2.7
87.00878	2.3
88.98793	1.5
89.02457	4.4
89.35797	0.6
89.65966	0.8
93.03470	1.5
93.90852	0.6
96.96010	21.7
99.00915	1.1
99.04514	1.5
99.92563	0.8
101.02452	3.7
110.84082	0.6
111.00881	7.1
113.02460	1.7
115.00368	1.7
116.92864	1.5
119.05000	0.8
121.02972	1.3
123.04534	4.1
125.02449	1.5
128.03490	0.8
129.01945	15.8
133.01413	3.1
133.02928	0.7
133.06680	0.7
134.03717	1.4
135.04539	1.5
136.00655	0.7
143.04628	1.5
147.02998	9.0
151.04057	0.8
161.02473	0.8
161.04558	2.4
162.96960	0.7
163.04002	0.9
173.00914	1.5
179.03391	1.0
185.06090	0.7
191.01979	31.1
192.02287	1.0
197.04533	1.7
198.95874	1.1
199.09877	1.0
202.35556	0.7
205.03502	6.1
209.03026	48.6
210.03317	2.6
214.53064	0.7
229.08681	2.0
242.94839	2.0
255.08963	0.9
261.77539	0.8
273.04645	0.7
273.07709	1.5
293.08786	0.7
335.25821	0.8
337.15018	1.1
351.76361	0.8
375.16574	1.3
391.15320	0.8
399.26065	0.9
435.06287	1.3
435.13004	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	434.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03835	2.0
57.03437	8.3
59.01376	6.9
62.45406	2.2
66.31148	2.2
71.01383	7.9
72.99305	3.4
73.02917	3.2
83.01382	2.5
83.32549	2.4
85.02952	56.9
89.02426	4.1
96.02052	2.3
98.20022	9.3
98.20697	3.8
99.92605	4.8
115.92102	3.9
122.62946	2.2
129.01964	6.0
133.01416	2.8
147.02994	3.0
149.23912	2.4
191.01978	27.1
200.38872	2.3
209.01031	4.9
209.03033	100.0
210.03374	2.9
302.73630	2.3
370.36414	2.3
371.06244	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
57.03450	0.6
59.01378	100.0
60.01709	0.9
61.98830	3.5
71.01382	5.1
71.52782	0.4
72.01711	0.3
72.99301	0.4
73.02952	1.5
74.02483	0.6
80.60266	0.3
83.01388	1.2
85.02950	4.2
87.00874	0.4
88.98795	0.4
89.02459	1.3
95.01398	0.4
95.73682	0.2
96.96039	0.4
99.00894	0.7
99.05664	0.6
101.02446	3.0
113.02460	2.8
119.03540	0.5
125.02541	0.3
128.03545	0.8
129.01970	0.4
143.03574	0.3
143.04645	0.8
144.61833	0.3
160.00783	0.3
161.04579	0.9
173.00827	0.6
191.02026	0.3
197.11917	1.1
211.09021	0.3
229.18088	1.4
239.85121	0.3
240.93170	0.4
300.02783	0.6
306.07629	0.6
307.08026	1.1
335.17252	0.8
373.22318	5.7
373.26614	0.4
374.22620	0.5
389.18353	0.5
391.23450	3.9
433.07721	0.5
433.13916	0.5
433.24805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10116	0.9
55.01864	1.3
57.03447	100.0
58.03772	1.4
59.01376	90.1
61.98830	10.5
69.58723	5.9
71.01379	21.2
73.02947	7.9
78.95914	1.2
81.03442	2.1
83.01368	4.6
85.02953	13.8
87.00884	1.0
88.97851	1.0
89.02429	2.0
95.01386	2.4
98.19942	1.8
99.00902	4.2
99.04513	85.0
100.04857	1.5
101.02433	34.0
113.02441	9.9
119.03482	1.0
125.01519	1.8
125.02438	24.8
126.90496	2.3
129.01854	1.0
143.03481	2.5
144.59221	0.8
159.03004	1.7
161.04582	7.1
197.11816	1.5
274.00928	1.0
289.16565	24.7
290.16763	1.4
331.17798	2.0
359.97784	1.0
363.26959	0.9
433.20459	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53360	0.8
59.01378	79.2
60.01725	0.8
61.98827	7.9
68.99564	2.7
69.54466	4.8
71.01390	5.9
72.99330	0.8
73.02915	2.1
79.28522	0.7
83.05049	0.8
85.02953	5.8
89.02448	2.8
91.01896	0.9
95.01389	0.9
101.02420	4.3
111.00904	0.8
112.98557	3.8
113.02481	5.9
119.03491	1.8
135.00899	1.6
135.04529	4.9
137.42593	0.7
143.03545	1.4
161.04572	2.3
181.12329	7.7
193.12321	11.4
197.11786	4.2
211.13383	100.0
212.13785	7.3
235.13417	1.0
253.14421	1.8
265.66229	1.1
271.06189	3.2
271.15567	1.3
433.11615	1.4
455.73300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
59.01379	100.0
60.01717	1.0
61.98829	5.5
66.61372	0.2
67.43941	0.2
69.03995	0.2
71.01383	3.7
71.52747	0.3
72.12509	0.3
73.02934	1.2
80.91680	0.4
83.01402	0.7
85.02949	2.3
87.00901	0.4
88.98815	0.3
89.02440	1.5
95.01401	0.4
96.96007	0.3
99.00917	0.6
99.04520	0.3
101.02454	2.3
108.41707	0.2
111.00891	0.3
113.02432	1.7
114.78177	0.2
119.03532	0.5
123.04582	0.3
125.02448	0.3
125.32848	0.3
134.06056	0.3
135.12421	0.2
138.05624	0.2
143.03523	0.4
144.04585	1.0
161.04556	1.3
162.05650	0.2
172.04059	0.8
174.05835	0.3
196.06285	0.3
197.11790	1.7
202.05133	0.4
204.06581	2.7
229.18147	0.9
234.05644	0.3
234.07799	1.0
236.09297	0.9
300.02762	0.5
331.17719	0.4
373.13602	0.4
373.22354	3.0
391.23346	3.2
433.15378	0.8
433.24765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03876	0.4
51.21978	0.4
57.03440	1.4
59.01378	100.0
60.01722	0.8
61.98832	3.2
69.03475	0.5
71.01370	3.2
71.51751	0.7
72.99310	0.7
73.02974	0.5
80.96544	0.6
83.01384	1.0
85.02944	3.3
88.98820	1.7
89.02440	1.6
96.96010	4.4
101.02445	1.8
113.02470	0.9
119.03449	0.5
121.02927	0.9
135.04581	0.7
151.00385	2.5
155.05710	0.4
161.02437	0.4
161.04555	0.7
163.00343	0.7
164.98668	0.5
178.99954	0.8
197.12001	0.4
211.09727	0.6
226.02736	0.6
226.44688	0.4
227.03439	1.0
243.02914	3.1
245.50941	0.5
255.02963	6.5
256.03604	0.5
271.02469	14.2
271.05457	0.7
272.02841	0.9
300.02725	28.0
301.03415	9.6
331.17511	1.5
349.06049	2.3
373.18585	1.2
433.07693	19.7
433.20590	0.9
434.08160	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	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93810	0.3
54.84635	0.3
59.01380	7.7
61.98828	12.8
63.02396	2.5
65.00326	4.8
65.95525	0.3
69.39377	0.5
69.39776	1.7
71.01380	1.1
71.30149	0.3
73.02953	0.5
78.95904	0.5
83.01383	3.6
85.02950	1.8
86.54727	0.3
89.02448	0.5
90.15831	0.3
93.03450	6.9
101.02431	0.9
107.01384	10.2
109.02983	0.4
113.02402	0.6
116.61656	0.3
116.92838	0.5
119.05022	32.4
119.74683	0.4
120.05350	1.5
121.02956	0.6
123.04536	0.4
125.02420	1.0
131.01353	0.4
133.02975	0.4
135.04497	0.4
136.01665	0.5
137.02443	0.5
145.02925	0.5
149.02422	0.4
151.00363	38.6
152.00761	1.2
153.75954	0.3
164.01152	0.8
165.01935	2.0
167.03490	1.3
169.01405	1.1
174.92052	0.3
175.00345	1.4
177.01917	5.2
185.06049	0.5
187.03979	0.6
191.01958	0.5
193.01402	0.8
196.00232	0.3
197.11757	0.3
211.03926	0.3
227.07112	0.8
269.04306	0.9
270.04587	1.2
271.06100	100.0
272.06415	7.6
295.06119	0.8
300.02817	0.8
313.07233	1.4
333.44299	0.3
352.99139	0.4
433.11411	2.3
433.20349	0.8
434.11673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03454	0.8
59.01381	100.0
60.01715	1.2
61.34644	0.3
61.98832	3.9
66.07478	0.3
69.74500	1.7
71.01381	9.3
72.99339	0.3
73.02950	3.4
78.20961	0.3
83.01386	1.5
85.02953	4.9
87.00903	0.3
89.02454	3.0
95.01396	0.8
97.02962	0.5
99.00887	1.6
101.02443	8.6
112.26084	0.3
112.39423	0.3
113.02454	4.5
113.03164	0.4
119.03508	1.1
125.02539	0.3
143.03516	0.6
156.08368	0.3
159.03000	0.8
161.04555	8.3
209.15555	1.1
232.75021	0.3
241.10547	0.3
268.03696	0.4
315.78064	0.3
371.20740	23.1
372.21088	2.2
381.05392	0.3
431.22961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51838	0.3
56.19945	0.3
58.18790	0.3
59.01384	1.2
60.01725	0.3
60.51577	0.3
61.01816	0.3
61.55911	0.3
61.98829	100.0
69.60178	1.0
69.60577	0.7
71.01384	0.4
98.19846	0.6
142.93661	0.3
198.15588	0.3
307.46039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20325	0.3
57.03461	0.4
59.01382	7.4
60.01708	0.3
61.98830	100.0
63.02412	0.6
65.00331	0.7
70.37323	1.1
71.01395	1.0
83.01398	0.8
85.02956	1.2
88.98808	0.7
89.02441	0.5
93.03465	1.0
96.96022	0.3
98.19928	0.4
98.20468	0.5
101.02462	0.8
107.01376	1.9
119.05042	4.7
120.91042	0.3
120.99674	0.4
125.02484	0.4
151.00359	5.5
165.01923	0.5
177.01985	0.8
193.01331	0.4
197.11847	0.4
207.03291	0.4
213.84918	0.3
222.63280	0.4
268.03717	1.6
269.04129	3.7
270.04947	2.7
271.06113	15.2
300.02963	0.4
432.10126	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	433.0777
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
54.37005	0.3
59.01378	5.4
61.98834	0.5
62.44127	0.3
63.02399	0.5
65.00333	0.8
70.80159	0.8
78.50838	0.3
85.02943	0.6
89.36436	0.3
89.54855	0.3
93.03419	0.4
96.96002	0.8
101.02441	0.3
107.01396	1.7
108.02198	1.6
109.02951	0.7
121.02946	1.5
135.00896	0.8
137.34653	0.3
148.01691	1.3
149.81464	0.3
151.00357	6.6
163.00339	1.3
164.01244	0.7
174.03220	0.3
178.99879	3.1
199.04019	1.1
201.05524	0.4
203.03426	0.3
211.03923	0.7
213.05334	0.4
215.03418	0.5
216.04233	0.7
226.02635	1.6
227.03458	3.4
227.07138	0.5
229.04800	0.4
241.46712	0.3
243.02979	10.4
244.03554	0.8
245.04602	1.0
254.02133	2.3
255.02980	24.6
256.03360	1.8
271.02466	54.1
272.02951	5.1
273.03967	0.6
283.02420	0.9
299.01996	1.1
300.02731	100.0
301.03421	26.5
301.08569	0.4
302.03818	1.3
433.07727	64.9
434.08035	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	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37431	0.2
66.32600	0.3
71.27956	0.4
71.37288	0.2
78.95905	71.0
94.66958	0.3
96.53625	0.3
96.96963	5.0
98.20698	0.3
113.87864	0.3
116.88254	0.3
150.98045	1.9
152.99585	100.0
153.99896	1.2
156.42628	0.2
171.00648	2.4
277.21738	0.8
405.98465	0.3
431.22012	14.6
432.22385	1.4
437.59167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
62.96410	0.2
65.10040	0.2
71.26420	0.2
76.22528	0.2
78.95904	56.9
92.72907	0.2
96.96964	6.1
150.98048	1.4
152.99583	100.0
153.99858	1.6
171.00652	4.7
210.54134	0.2
277.21771	0.7
320.20297	0.2
431.22003	8.0
432.22311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03465	2.2
59.01379	41.3
61.37162	0.5
61.98832	3.9
69.03470	1.1
69.30569	2.2
69.30994	2.7
70.47852	0.5
71.01383	10.8
71.01720	0.9
73.02947	17.5
83.01384	16.8
83.05054	1.1
85.02975	2.6
87.00928	0.7
88.98797	0.9
89.02473	2.5
90.03775	0.5
95.01376	0.7
99.00904	0.7
99.04517	15.6
101.02435	10.2
103.18369	0.5
111.01059	0.7
111.04512	0.8
113.02437	6.6
113.03021	0.5
113.90276	0.5
119.03547	0.8
131.03548	0.8
143.03568	0.7
147.11823	0.6
148.72528	0.6
161.04520	1.6
163.07707	1.2
165.12840	3.7
189.12891	1.8
204.12787	0.6
207.13892	10.9
208.14253	0.7
209.11823	34.2
210.12181	2.0
225.14931	10.5
231.13806	0.7
251.12903	4.2
267.16080	2.8
269.13919	100.0
270.14276	6.7
275.12872	1.9
311.14941	6.0
341.16058	3.0
342.16129	0.6
371.17075	10.1
372.17264	0.9
431.19064	26.4
432.19568	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
57.03453	2.8
58.00578	2.1
59.01380	39.0
60.01689	0.6
60.99295	1.8
61.98813	2.6
69.03445	1.0
70.48956	1.3
71.01379	25.0
72.99287	3.2
73.02943	2.6
78.95881	0.6
81.03445	1.1
83.01396	3.2
83.05045	0.9
85.02950	57.0
86.03300	1.1
87.00871	2.1
88.98813	13.5
89.02444	24.8
90.98593	4.0
95.01395	1.5
95.59487	0.6
96.96015	4.0
96.96959	1.3
97.02940	0.7
97.04966	0.6
98.20609	0.6
99.00856	1.1
99.04507	2.5
101.02441	15.9
107.08655	0.8
111.00869	2.1
113.02445	9.8
119.03508	8.7
119.05023	1.2
120.99635	0.5
121.02911	0.9
123.04498	1.6
125.02456	3.5
126.03207	2.5
129.01971	3.7
131.03513	0.7
133.02954	1.0
135.04527	0.7
137.02362	0.6
143.03494	2.1
145.38557	0.6
147.02960	1.8
149.02460	1.6
149.04539	0.6
161.02438	1.0
161.04556	2.3
163.04013	1.2
167.03471	2.6
178.98657	1.0
179.00194	9.2
179.05592	2.4
182.02133	0.6
183.10287	1.6
191.01923	4.4
195.10287	2.4
209.03084	1.1
223.04584	1.2
235.05724	0.6
313.64758	0.5
329.27759	0.6
345.15497	4.7
366.94699	0.5
369.08273	0.6
382.85083	0.6
413.18298	5.6
431.19199	100.0
432.19504	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12023	0.4
54.39769	0.4
55.01878	0.5
57.03426	0.6
58.00594	1.3
59.01378	45.3
60.01714	0.6
61.98831	2.7
62.85728	0.5
69.33237	0.6
69.56282	2.3
71.01379	16.2
72.99302	1.4
73.02947	0.6
76.41565	0.4
77.14291	0.4
78.91887	0.7
83.01385	1.1
85.02947	4.9
85.20461	0.4
85.62294	0.6
87.00851	0.8
89.02441	17.5
95.01382	1.1
99.04516	29.0
99.59650	0.4
100.07321	0.5
101.02431	9.0
111.04523	1.0
113.02450	6.0
119.03499	5.7
121.06603	0.9
131.03487	0.7
143.03482	1.0
161.04558	1.4
179.05623	1.4
189.12849	6.6
190.13210	0.5
198.99193	0.5
207.13890	31.4
208.14226	2.1
233.11829	1.2
251.12872	100.0
252.13203	6.6
269.13950	1.4
431.19177	43.0
432.19678	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	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39088	0.4
54.62922	0.4
54.73569	0.5
55.75099	0.4
60.99303	12.4
65.07207	0.4
69.69867	2.3
85.02936	0.6
88.98801	100.0
89.99185	0.9
96.96030	0.6
98.19990	0.6
131.01854	0.4
133.01410	0.6
138.15295	0.4
140.98592	0.4
141.01723	0.6
191.02031	0.5
231.01271	0.8
391.14551	0.5
422.36694	0.5
431.08981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
55.01862	1.0
56.87324	0.8
57.03447	73.9
58.03782	0.8
59.01378	14.4
61.98816	2.7
69.03453	3.0
70.18953	1.3
71.01374	6.9
73.02940	2.2
75.00849	1.1
80.91678	1.5
81.03457	1.4
83.01400	2.9
85.02952	27.3
85.03470	1.3
86.03341	0.8
88.98804	5.0
89.02391	0.9
89.21042	0.9
95.01385	1.8
96.95985	2.6
97.02959	14.3
99.00870	1.2
99.04520	49.2
101.02444	16.5
102.98502	0.9
105.01923	1.5
106.70967	0.7
111.00864	2.4
113.02448	3.1
113.21245	0.8
121.02959	1.3
125.02444	100.0
126.02771	2.2
129.01917	2.6
135.04497	1.2
138.05583	0.9
143.03481	2.1
147.02995	3.6
160.87146	0.7
161.04559	4.9
191.01973	7.9
203.05571	1.8
243.08720	1.8
329.08624	1.4
369.11523	0.9
431.15826	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	431.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48627	0.5
57.03450	36.3
58.03771	0.7
59.01381	13.1
69.24420	0.5
71.01367	1.8
71.50652	1.1
73.02934	0.7
79.95750	5.0
80.96548	1.3
83.01388	0.8
85.02953	1.5
88.98799	1.1
89.02408	0.6
96.96013	31.0
97.48547	0.5
99.04520	30.3
100.04852	0.7
101.02447	11.9
102.02787	0.7
113.02394	1.0
125.02425	1.9
129.70859	0.5
143.03442	0.7
161.04562	14.7
162.04961	0.8
164.98589	1.1
173.52805	0.6
207.08708	7.1
246.26227	0.6
269.03299	3.6
287.04404	12.6
287.97430	0.6
329.05392	0.6
344.42990	0.6
351.13068	1.3
369.08572	5.0
371.06604	2.5
396.36719	0.6
431.08612	100.0
432.08942	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	431.0982
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
54.80746	0.5
55.37477	0.5
57.03436	0.9
59.01380	6.2
61.98832	5.1
65.00309	0.7
70.88734	1.3
71.01398	3.0
73.02948	0.9
73.81528	0.5
77.03951	2.0
79.01897	1.6
81.43000	0.6
83.01397	0.8
85.02950	4.1
87.67590	0.5
88.98794	1.7
89.02464	1.2
93.03441	3.1
96.96021	0.6
97.02934	0.5
99.04540	0.5
101.02446	1.3
105.03439	1.0
107.01357	0.7
113.02466	0.7
117.03463	9.9
118.03802	0.6
119.05010	2.2
121.02953	3.4
123.04483	1.2
129.01917	1.0
133.02953	1.1
135.04501	2.1
145.02985	0.7
147.04442	0.6
148.01515	0.6
149.02460	2.0
155.10789	0.9
159.04520	2.0
160.05211	0.5
161.02481	6.3
161.04553	1.2
162.02747	0.8
163.00372	1.2
163.04024	3.1
165.01906	2.9
169.06505	0.9
173.06058	0.8
178.00253	0.5
179.03302	0.7
183.04585	1.0
183.08096	0.6
187.07742	0.6
191.01964	0.7
191.03539	1.0
197.06035	1.7
199.09779	1.7
203.03508	1.0
211.07622	1.8
220.68690	0.6
221.04263	0.7
224.04810	1.1
225.05598	0.7
237.05469	0.7
239.07137	3.0
240.04219	0.6
240.85773	0.5
251.12692	0.6
253.05067	1.3
254.05725	0.5
255.06236	0.6
267.06577	0.7
268.03647	3.0
269.04526	5.7
279.06589	0.6
281.04559	8.7
282.05313	6.3
283.06113	59.8
284.06329	3.3
284.16565	0.6
293.04590	2.6
295.06082	4.9
295.09564	1.6
296.10202	0.7
300.64145	0.7
308.03171	0.7
309.04092	1.6
311.05600	100.0
312.05923	7.8
313.10916	0.8
314.04327	1.8
323.05679	9.7
325.07239	0.8
341.02551	1.2
341.06668	24.5
342.06860	2.3
353.06622	1.9
359.14828	1.5
413.08829	2.5
431.09824	65.6
432.10205	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	431.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28383	1.0
57.03449	9.7
59.01386	5.2
60.99303	12.0
62.46339	1.0
71.01386	2.2
71.10628	1.9
79.95786	1.3
85.02951	4.6
88.98808	100.0
96.96025	7.9
98.19980	1.2
98.62817	1.0
99.04515	6.6
101.02475	4.4
135.04498	1.3
161.04570	2.5
179.03500	2.2
191.02019	1.7
207.08661	1.4
209.03108	1.6
249.93536	1.2
263.45816	1.2
269.03384	1.3
280.50812	1.1
287.04456	2.4
292.28735	1.1
364.50635	1.0
382.88065	1.0
431.08545	24.4
432.09265	2.0
432.68921	1.2
454.38715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76770	1.0
54.64389	0.8
55.33197	0.9
57.03452	34.5
59.01381	17.8
60.99304	3.3
61.85133	0.9
61.98805	1.1
69.21535	2.3
69.21935	6.9
69.36298	1.1
71.01402	2.3
72.99295	1.1
73.02932	1.4
75.00896	0.9
79.95737	3.9
80.96538	1.7
83.01385	1.6
85.02950	6.3
87.00838	1.1
88.98813	23.2
89.02435	1.2
96.96015	31.3
98.20293	5.0
99.04523	29.5
100.04899	1.4
101.02451	14.6
111.17571	1.0
113.02437	2.1
136.83176	1.0
138.05632	1.0
161.04555	13.9
180.62097	1.2
191.01921	1.6
207.08791	7.6
209.02942	1.5
210.69865	1.1
222.94843	1.0
256.93491	1.0
269.03369	3.3
287.04437	14.7
329.05472	1.2
363.66968	1.0
369.08633	3.8
371.06686	1.6
382.64703	1.1
431.08630	100.0
432.09003	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	430.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.6
57.03439	3.8
59.01384	14.1
61.98831	51.5
69.59811	7.8
79.40308	1.6
81.57545	1.2
83.01390	10.8
85.02936	3.7
89.02423	1.3
93.13579	1.1
99.00883	7.6
105.87322	1.2
111.00862	4.7
113.71313	1.2
129.01939	25.4
133.02954	20.9
134.76173	1.3
135.04521	11.0
140.91676	1.7
143.03503	15.7
145.01477	1.8
161.02441	100.0
162.02783	3.4
173.00908	28.6
179.03523	7.6
205.03540	8.6
219.06606	1.5
255.62819	1.1
291.05145	2.8
302.02469	1.2
307.39890	1.3
335.03970	12.2
367.06686	11.9
433.46555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08844	0.4
59.01375	2.2
61.98830	100.0
68.54109	0.4
69.50231	2.2
78.33061	0.4
83.97478	0.3
107.48663	0.4
115.28640	0.4
115.92107	0.7
116.92878	0.6
201.49371	0.4
214.68182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03448	1.3
59.01379	100.0
59.32661	0.3
60.01715	1.0
61.98832	6.5
65.66348	0.3
69.46365	2.4
71.01379	5.0
73.02951	0.5
81.90420	0.3
83.01388	1.0
85.02966	1.8
87.00854	0.4
89.02450	6.1
98.20664	0.5
99.00886	0.8
101.02435	2.5
113.02462	1.6
119.03517	2.0
129.01955	2.5
133.02950	2.0
135.04538	1.6
143.03540	2.5
149.04559	0.4
154.52957	0.3
161.02440	8.7
161.04593	1.6
173.00917	2.6
173.25420	0.4
179.03578	1.5
179.05629	3.0
205.03580	0.8
219.02995	0.5
246.39684	0.4
259.24445	0.4
333.94412	0.4
335.04144	1.2
367.06827	1.6
429.21906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.9
58.00599	0.5
58.03790	0.5
58.75267	0.5
59.01381	100.0
60.01715	1.4
71.01385	12.6
72.01720	0.6
73.02948	0.9
83.01410	0.6
85.02933	3.6
87.00871	0.9
89.02448	18.4
90.02798	0.5
95.01389	0.7
97.27656	0.5
97.81821	0.5
98.19936	1.0
99.00898	0.6
99.04507	4.2
101.02442	8.0
103.02888	0.7
103.23172	0.5
113.02442	5.5
119.03511	6.7
125.02461	1.5
131.03540	1.0
137.09776	1.8
143.03545	1.9
161.04556	2.4
161.13374	1.5
177.21474	0.5
179.05608	4.8
205.12396	2.0
223.13562	0.7
249.11328	2.4
267.12570	0.6
283.11923	0.5
285.12640	0.9
300.83710	0.5
393.17865	0.8
429.17230	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66848	0.9
53.90953	0.9
55.01885	2.6
57.03449	5.9
59.01378	50.6
60.01718	3.3
61.98830	97.4
63.01044	0.8
65.56570	1.0
69.03463	1.0
69.37575	7.3
71.01384	10.0
72.01717	1.3
72.99317	1.1
73.02945	2.2
78.21774	1.1
79.95744	1.8
83.01391	10.1
83.53885	0.9
85.02953	9.2
87.00854	1.4
87.24621	0.8
88.98804	3.1
89.02441	9.9
96.95997	7.0
99.00870	5.2
99.04520	3.4
101.02437	5.8
109.02949	1.7
111.00901	6.3
113.02445	3.6
114.02746	0.9
115.04086	1.1
117.00177	1.2
117.03406	1.1
119.03531	2.0
121.02951	1.7
127.05054	0.8
128.03546	1.1
129.01932	26.4
129.02855	1.8
129.77275	0.9
133.02948	20.7
133.39937	0.9
134.03770	1.4
135.04515	38.0
136.04852	1.9
143.03497	10.6
161.02437	100.0
161.09737	1.4
162.02779	5.0
163.04045	1.8
173.00897	28.5
174.03227	2.3
179.03496	20.9
179.05280	1.9
180.03786	0.9
188.04813	1.0
188.11617	1.3
189.05525	3.7
191.01996	1.6
191.03557	1.8
201.05591	1.2
203.12869	1.1
205.03520	4.2
217.05048	3.6
219.02870	5.6
219.06538	1.5
223.13379	5.0
224.13734	4.9
233.04549	3.6
267.12357	5.1
268.12720	6.4
273.03906	1.1
291.05081	2.4
305.06522	1.6
335.04056	22.0
336.04395	1.8
367.06647	25.9
368.06879	2.7
374.86130	1.0
430.18073	1.4
431.10226	9.3
431.15536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00927	0.2
55.23444	0.2
59.01385	0.3
61.98820	0.3
65.07579	0.2
71.01362	0.2
81.67152	0.1
87.75051	0.1
99.92578	4.6
100.92705	0.2
100.93358	3.3
100.93982	0.3
113.92619	0.2
115.92072	100.0
116.92082	4.4
116.92861	5.5
132.92374	1.0
142.94411	0.4
155.95251	0.4
172.95456	5.8
173.95448	0.4
186.43115	0.2
202.99048	0.2
210.53397	0.2
215.09598	0.2
231.08514	0.2
255.23260	0.8
271.05960	0.2
355.15866	0.9
356.16394	0.3
371.15274	0.4
381.17374	0.9
411.18616	0.4
429.19479	6.8
430.19620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10283	3.3
53.62778	4.0
59.01377	27.1
61.98824	29.7
69.46571	25.7
71.01384	5.4
75.00873	84.5
80.38761	3.2
85.02959	4.8
90.98661	3.4
98.20306	13.1
103.00372	100.0
115.92084	4.4
127.07662	5.3
135.12241	3.8
141.86037	3.7
153.09218	5.8
159.39954	4.3
162.05571	4.6
164.39705	3.7
206.04556	6.6
209.11769	18.8
237.13422	3.8
241.10295	4.3
281.02213	4.1
307.19180	41.9
308.19577	5.8
325.20267	32.9
326.20560	5.0
406.29620	3.5
429.13068	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.5
56.96151	0.5
57.03448	1.3
58.00610	1.0
59.01379	100.0
60.01722	1.2
60.33350	0.4
61.98829	13.0
69.48359	2.7
71.01381	17.9
72.29315	0.4
72.99308	0.7
73.02946	0.6
83.01392	2.0
85.02953	3.6
87.00882	1.0
89.02439	28.0
95.01408	1.2
98.20591	1.0
101.02444	8.0
108.21807	0.4
111.00880	0.7
113.02447	6.3
119.03496	9.6
129.01938	2.9
131.03552	1.0
133.02963	2.3
135.04520	4.6
138.10071	0.4
143.03519	3.7
149.04605	1.0
161.02451	11.9
161.04471	2.7
173.00873	3.4
179.03493	2.8
179.05586	6.1
187.23982	0.5
205.03612	0.9
219.03078	0.6
223.13405	1.1
252.93172	0.5
267.12451	1.5
335.04175	2.5
367.06610	3.1
389.74030	0.5
429.21756	0.7
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
55.01884	0.8
55.88869	0.5
56.65359	0.5
57.03439	2.2
59.01379	100.0
60.01712	1.1
61.98826	4.8
62.04773	0.5
69.42237	3.8
71.01382	12.7
71.04986	0.5
72.99320	1.1
73.02954	2.8
73.04922	0.5
78.95918	0.8
83.01386	2.2
83.05041	0.7
85.02937	5.7
87.00893	1.9
89.02452	6.1
91.80963	0.5
95.01418	0.7
96.96021	1.0
97.06612	0.5
99.00906	1.5
100.44057	0.5
101.02450	8.5
107.05043	2.0
113.02427	5.2
119.03526	1.9
120.05825	1.2
125.02463	0.5
125.09763	1.4
126.90491	0.5
135.04564	0.8
143.03488	0.6
159.03029	1.2
159.08191	0.6
159.11873	0.8
161.04546	9.2
161.09724	4.7
161.13367	2.2
163.11278	1.1
179.05620	0.9
187.11295	6.2
189.09238	2.2
191.01956	0.6
196.41386	0.5
201.11356	1.0
203.10846	0.7
205.12372	1.5
207.10283	1.2
207.13997	2.2
223.13379	24.7
224.13834	1.7
238.23926	0.5
249.11429	1.9
258.85931	0.5
267.12363	39.2
268.12762	3.0
291.12451	0.9
309.13431	1.2
369.19232	1.9
409.57794	0.6
429.09122	0.7
429.16882	4.4
429.22427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03438	13.7
58.00605	1.2
59.01377	100.0
61.98830	32.7
62.96912	1.1
69.03445	2.9
69.89525	1.1
71.01380	19.8
71.52380	1.4
72.99304	3.4
73.02946	4.4
78.14664	1.2
83.01385	9.1
85.02952	11.2
87.00865	8.5
88.50602	1.1
88.60248	1.1
89.02440	16.2
95.01370	1.8
96.96014	1.2
97.02980	1.4
97.06570	2.2
99.00871	2.8
99.04521	7.3
101.02449	11.4
107.05036	4.2
111.00883	5.0
113.02460	10.0
119.03523	4.5
120.05790	2.8
121.02945	4.9
125.02460	3.3
125.18795	1.2
126.07439	1.1
129.01939	8.3
131.03540	1.3
133.02953	5.1
135.04512	12.0
143.03487	6.2
152.04822	1.5
153.05602	1.5
161.02446	31.0
161.04550	4.8
161.09702	12.3
161.13318	4.6
163.11221	1.6
173.00919	9.1
179.03513	7.5
179.05632	3.2
182.02258	1.8
186.09181	1.2
187.11282	17.0
188.61104	1.4
189.09285	6.1
197.04521	8.5
203.10796	1.7
205.03435	1.6
205.12318	4.8
207.10283	3.6
219.02875	2.0
223.13382	59.6
224.13609	2.7
229.12390	1.4
231.10497	1.5
238.20601	1.3
249.11313	5.2
249.13499	1.7
267.12350	64.7
268.12717	3.4
335.03998	7.6
367.06641	8.9
369.15079	1.9
369.19308	1.7
393.17557	3.9
407.82764	1.4
429.17355	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	429.1398
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
55.58163	0.6
55.64458	0.6
57.03455	3.3
59.01379	10.2
61.98825	2.0
71.01381	6.1
71.51354	0.7
71.93484	0.6
72.99317	1.1
73.02948	1.8
73.14816	0.6
75.00883	1.1
83.01387	1.5
85.02952	6.5
87.00873	1.4
88.98814	3.1
89.02441	4.0
89.39070	0.6
93.03480	0.6
95.64718	0.7
96.96008	4.5
98.95602	3.0
98.96461	0.7
99.00876	1.3
99.04536	1.7
101.01871	0.7
101.02427	3.9
112.12450	0.6
113.02481	2.4
119.03533	1.3
119.05030	0.9
121.02965	1.7
121.41367	0.7
125.02452	1.4
129.01955	1.4
133.03000	2.0
134.03745	97.9
135.04022	3.2
136.01649	0.7
137.02448	9.1
139.04002	3.0
149.06084	42.9
150.03239	1.5
150.06398	1.1
153.05580	1.2
161.02426	2.4
161.04568	3.5
166.99963	0.8
173.00986	0.9
178.02719	35.1
179.03265	2.0
179.05679	1.2
191.01985	2.0
192.04254	0.8
193.05055	53.3
194.05405	2.6
219.06487	0.7
255.18166	0.7
267.08926	0.9
319.00894	0.7
323.09879	2.6
395.93750	0.9
406.01675	0.6
429.13971	100.0
430.14294	10.9
447.53964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
57.03403	3.2
59.01381	15.0
61.98769	2.6
68.99763	0.6
69.03424	0.6
71.01382	21.0
71.01754	0.7
71.51267	0.6
72.99313	3.5
73.02911	0.9
75.00871	12.6
78.95906	0.6
83.01368	0.9
85.02952	22.8
87.00881	9.9
88.20028	0.5
88.98727	0.8
89.02441	5.9
91.03947	1.3
95.01382	4.1
96.95988	1.1
98.20393	0.5
99.00883	7.7
101.02384	1.6
103.00370	4.4
105.01900	1.2
106.21968	0.5
107.04992	1.2
112.01661	0.5
113.02451	33.8
114.02753	0.8
115.00333	1.7
115.92000	1.6
117.01922	2.6
117.03355	0.9
117.77906	0.4
123.04487	0.7
129.01889	2.0
131.03435	1.3
133.02969	8.3
134.03749	2.3
135.04527	27.6
136.04758	1.0
148.05353	0.8
149.04564	0.6
151.87306	0.5
160.05252	1.2
160.38217	0.6
161.02438	31.1
161.06026	1.2
162.02734	1.1
163.03867	0.9
175.02396	2.3
179.01884	0.7
179.03470	11.9
180.03856	0.9
204.04263	0.5
207.04979	1.7
219.06555	0.9
222.05409	0.7
234.05257	0.5
237.07664	0.9
249.05951	5.5
253.07098	2.2
267.07141	100.0
268.07455	5.2
323.07791	1.2
411.09259	0.8
429.10330	53.4
430.10629	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	428.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62041	0.7
57.03448	20.3
59.01377	15.9
61.98830	100.0
70.99595	0.8
71.01389	2.1
73.02959	1.3
75.94877	0.5
76.55396	0.5
78.17728	0.6
78.95898	0.6
85.02964	3.4
89.02469	0.9
96.96005	4.9
99.04517	19.3
100.04842	0.7
101.02438	7.5
112.98808	0.7
113.02449	1.5
123.04542	0.6
125.02451	6.6
129.02017	0.6
134.78789	0.5
143.03517	1.0
161.04553	1.3
191.02087	0.8
221.10274	6.6
239.05673	0.6
240.06009	1.3
263.11435	3.1
303.14627	1.9
321.15527	0.6
342.91623	0.6
365.14444	11.7
365.18585	0.8
366.14771	1.1
429.14380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	16.1
59.01381	12.3
59.04843	0.5
61.98830	100.0
71.01385	2.4
71.51694	0.9
74.17267	0.5
80.91698	0.9
85.02941	3.2
88.98811	1.4
89.02420	0.7
96.96014	3.0
99.04521	15.8
101.02434	5.9
125.02435	4.9
129.01912	0.6
134.03745	3.1
135.04642	0.6
143.03571	0.7
149.06078	1.4
161.02530	0.6
161.04608	1.4
178.02718	2.1
191.01970	1.1
193.05110	6.3
204.75809	0.6
221.10289	5.2
226.88335	0.6
263.11383	2.6
263.19742	0.6
303.14380	1.1
334.87473	0.6
365.14490	12.9
366.14658	0.8
429.14392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.9
59.01379	100.0
61.98819	12.9
70.79430	4.8
71.01367	4.0
71.05015	7.5
72.99300	8.0
75.00864	8.4
78.95908	3.2
83.05013	3.0
85.02936	6.7
95.05029	2.6
96.96059	2.2
96.96952	2.2
97.02931	3.1
99.04522	5.7
99.92587	4.6
109.06585	4.7
115.92046	5.0
116.92836	6.1
124.05287	3.9
125.06083	10.9
134.05988	2.1
137.09702	2.4
138.06841	15.6
139.07597	4.3
144.02266	2.0
153.09186	9.3
155.10725	4.3
201.26042	2.1
212.10521	6.8
275.84845	2.3
359.95718	2.0
380.87656	2.0
427.13605	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03447	2.4
58.00596	0.3
58.03790	0.6
59.01378	61.4
60.01713	0.6
61.98833	6.3
69.23326	0.3
69.34448	1.9
71.01380	9.1
72.01741	0.3
72.11284	0.2
72.99289	0.3
73.02945	3.3
78.70313	0.2
78.95911	0.5
79.95734	1.5
83.01386	1.2
85.02952	3.9
87.00892	0.5
89.02445	2.7
95.01391	1.0
95.05013	0.3
96.96011	100.0
97.02946	0.7
98.20013	0.7
98.20687	0.5
99.00878	0.6
99.04533	1.2
100.04853	0.5
101.02441	4.2
108.05796	0.3
109.06616	0.4
111.04533	0.5
113.02445	5.2
113.06084	0.5
119.03474	0.5
123.08179	0.6
125.02446	0.8
125.06059	0.5
134.22609	0.2
135.04518	0.8
135.08069	0.4
136.05319	1.0
138.06863	3.6
139.07669	1.2
143.03499	0.5
151.07661	4.0
152.04836	0.4
152.08429	11.3
153.09213	20.8
154.09518	0.7
161.04544	2.6
162.04887	0.5
163.11217	0.4
165.09180	0.6
167.07187	0.4
187.11298	0.7
190.09956	0.4
193.05058	0.5
203.05566	0.3
205.12329	8.9
206.12605	0.7
223.13391	2.9
367.17578	9.9
368.17838	1.0
385.18564	1.5
427.06931	0.4
427.12506	0.7
427.19516	1.0
428.19983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84813	12.4
59.01365	57.5
59.07898	12.0
61.98836	79.2
71.01395	32.3
71.52333	12.1
72.02150	29.2
73.02941	15.3
84.02152	13.0
85.02953	16.5
95.05040	17.0
96.96011	21.2
97.06585	41.9
99.00876	46.3
99.08154	16.4
99.92558	35.4
102.93974	11.5
109.06598	15.4
111.08122	28.3
115.92070	38.8
116.92830	45.6
121.06561	16.0
123.08161	31.9
125.06088	100.0
125.09705	23.8
127.07590	25.5
131.14241	13.7
135.30885	11.7
139.07672	66.4
151.07634	47.2
153.09212	16.2
165.09117	19.6
169.08675	13.5
189.07712	13.2
239.12877	13.4
291.19888	14.6
309.20728	12.9
311.22324	16.7
327.21613	25.2
341.21481	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	427.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74995	0.6
57.03451	1.7
59.01379	100.0
60.01717	1.1
61.98840	1.2
68.53889	0.6
71.01381	32.8
72.99312	1.6
73.02962	2.4
77.86391	0.7
83.01378	1.4
85.02962	3.7
87.00863	1.4
89.02444	35.4
95.01378	1.3
96.96012	20.8
99.04501	0.8
101.02440	12.1
103.04007	5.3
110.97585	1.2
113.02452	10.5
119.03493	13.3
121.06596	4.5
125.02456	1.1
131.03494	1.8
137.09726	23.1
138.10083	1.4
143.03523	3.3
149.04594	1.5
157.05052	3.3
161.04559	3.5
179.05614	12.8
187.11267	17.6
187.12877	1.2
188.11534	0.8
196.38673	0.6
205.12378	1.0
223.13364	1.2
247.08148	5.2
252.13397	0.7
300.36481	0.8
365.16489	1.4
427.16132	14.2
428.16748	2.3
438.40991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03448	100.0
59.01379	73.6
59.01606	0.6
59.76913	0.8
59.82048	0.8
63.10150	0.8
64.28639	0.7
71.01383	16.3
73.02946	6.5
81.03458	1.1
83.01397	3.2
85.02953	8.9
89.02452	1.2
93.72852	0.7
95.01374	1.1
95.24553	0.8
98.19897	2.4
99.00885	3.3
99.04517	76.4
100.04812	1.3
101.02442	33.0
113.02444	6.7
120.21041	0.9
125.02444	20.9
133.71609	0.8
134.50311	0.8
143.03479	2.0
159.02982	1.5
161.04562	8.0
165.48830	0.8
184.17375	0.9
237.74216	0.8
269.00314	0.9
283.11868	24.0
284.12158	1.8
306.13208	1.0
316.11096	0.9
325.13031	2.3
427.16064	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03448	100.0
58.00599	1.4
58.03782	1.4
59.01378	73.7
59.52631	0.4
60.01712	0.7
61.98833	1.1
64.60422	0.4
69.03456	0.6
69.93798	0.9
69.94188	0.7
71.01382	27.2
72.99310	1.3
73.02945	17.6
75.00880	0.5
78.95919	0.8
79.05547	0.7
81.03461	2.0
83.01385	6.8
83.01834	0.6
84.93450	0.4
84.98349	0.4
85.02950	3.9
87.00876	0.9
89.02444	18.0
90.02879	0.4
95.01384	1.4
95.05030	0.7
96.95995	1.3
97.02945	0.6
97.06586	1.2
99.04520	68.4
100.04864	1.4
101.02443	37.7
102.02771	0.7
109.06583	0.7
113.02451	11.6
113.06083	2.0
119.03505	5.9
123.04531	9.0
125.02454	23.8
126.02802	0.5
131.03487	2.5
133.06604	1.6
141.05548	2.8
143.03497	3.9
143.13626	0.4
149.04512	3.2
153.05566	1.7
160.33340	0.4
161.04568	6.8
174.14781	0.5
179.05595	4.0
183.06596	0.6
199.13252	0.7
201.07707	0.8
203.05681	0.6
205.12315	0.6
221.06580	1.2
227.07150	1.0
293.08679	0.9
295.10818	0.5
325.12897	0.8
334.72836	0.4
341.08871	0.8
427.15887	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06106	2.0
59.01371	9.2
61.98829	10.9
62.76814	1.9
71.52357	1.8
81.02776	2.0
82.14941	1.7
86.02486	3.3
99.92583	62.7
100.92607	2.7
100.93359	2.4
115.07611	2.3
115.92081	87.9
116.92191	5.3
116.92861	100.0
117.92852	4.1
169.08618	2.1
267.78110	1.8
275.20163	15.9
309.18942	3.9
361.10910	4.7
391.12146	50.5
392.12228	9.7
395.11398	4.3
405.10147	3.9
409.13141	6.6
423.10980	6.2
427.14307	23.3
428.14597	3.8
428.24658	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	427.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67626	2.0
57.03448	57.5
57.35866	2.2
59.01379	100.0
61.98825	30.4
62.77063	1.8
69.03187	1.7
69.03466	18.5
69.39382	4.1
69.39792	12.6
71.01381	27.6
72.99297	2.3
73.02960	18.8
76.41840	1.9
81.03456	3.1
81.05006	2.0
83.01376	6.7
85.02920	12.2
87.00861	3.2
89.02432	23.5
95.01318	2.6
96.95996	11.4
97.02946	5.0
99.00885	6.1
99.04523	53.8
100.04798	2.4
101.02440	37.9
110.17894	2.1
113.02456	15.7
113.81725	2.3
117.87054	2.5
119.03490	8.0
121.02921	2.4
123.08147	2.0
125.02445	14.0
129.02003	2.3
134.03735	3.0
134.50769	1.8
135.04523	3.9
143.03484	4.0
149.04561	3.5
153.09227	3.1
161.04546	8.6
165.05595	2.8
179.03423	4.4
179.05594	3.2
185.00887	14.7
187.11163	3.1
199.13338	5.9
203.01947	2.3
205.12315	7.6
221.06509	2.6
231.48843	2.0
247.11755	2.3
266.57138	1.8
267.33954	2.0
289.13013	3.4
295.10712	2.5
321.01215	2.0
347.16922	4.4
367.17654	3.2
391.15967	23.5
427.12482	7.0
427.19809	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	427.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.9
57.33812	0.9
57.37123	0.8
59.01382	11.6
61.98830	6.9
69.03448	1.3
70.30309	3.6
71.01382	1.2
76.16354	0.9
78.95895	1.6
81.98724	1.0
85.02954	1.8
88.51736	0.9
95.12666	1.1
96.96005	3.6
96.96972	1.3
99.90040	1.1
99.92584	59.4
100.92606	2.6
100.93376	5.2
115.92079	75.5
116.92159	4.8
116.92860	100.0
117.92876	6.6
137.09660	0.9
151.07683	1.4
156.92337	1.2
179.52699	1.1
241.01549	1.2
253.01810	1.1
255.03224	1.4
267.03275	1.1
267.81689	0.9
271.02667	1.3
287.02322	1.9
293.04880	8.2
322.05167	9.0
323.05380	1.5
336.02890	1.1
342.18491	1.0
373.11148	11.2
374.11337	1.3
387.09079	1.9
391.07410	1.9
391.12201	24.8
392.12585	2.5
405.09979	4.8
406.10297	1.8
409.13293	3.1
427.14249	31.7
428.14529	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	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25795	0.4
54.35840	0.5
55.01854	0.6
57.03448	50.8
58.00609	0.5
59.01379	24.0
61.98822	1.8
63.18569	0.5
65.91291	0.5
69.03454	0.7
69.55821	3.2
71.01383	9.5
72.99294	0.8
73.02943	12.3
79.05527	1.2
79.95750	0.4
81.03453	2.6
83.01382	3.0
85.02941	3.4
87.00893	0.6
88.93398	0.5
89.02448	1.5
93.03467	0.6
95.01398	0.6
95.05013	0.5
96.95380	0.9
96.96008	16.8
97.02900	0.5
97.06594	1.3
99.00881	0.9
99.04517	32.2
100.04901	0.6
101.02439	18.1
101.45232	0.6
108.02206	0.6
109.06586	0.8
113.02455	3.4
113.06087	1.7
116.92858	0.7
119.03514	0.4
119.05014	0.8
119.50794	0.5
121.02953	100.0
122.03304	3.3
123.04534	9.4
125.02445	21.9
126.02761	0.6
129.01968	0.5
135.04529	9.5
141.05634	1.5
143.03513	3.8
145.02985	0.8
147.02983	0.6
153.05577	1.0
161.04539	2.8
163.04036	3.8
163.11287	1.4
175.11301	0.7
176.32729	0.5
203.05695	1.5
205.12332	3.1
283.08212	1.8
305.08719	5.9
348.78683	0.5
365.16415	1.5
386.10172	0.7
427.16632	9.6
428.16779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83982	0.1
57.03442	0.8
58.03775	0.2
59.01380	7.5
59.42320	0.1
61.98535	0.2
61.98832	2.4
62.98515	0.1
69.21646	0.9
71.01382	2.1
73.02940	1.9
79.95737	1.9
82.84590	0.1
83.01389	0.5
85.02962	0.8
87.00874	0.2
89.02445	0.8
96.96011	100.0
97.95975	0.3
99.02995	0.1
99.04525	0.5
100.04886	0.1
101.02444	2.0
113.02460	1.1
119.03510	0.4
121.34128	0.1
123.08168	0.2
125.02451	0.3
126.02779	0.1
127.44366	0.1
131.03497	0.2
131.85556	0.1
135.04482	0.3
138.06929	0.2
143.03516	0.2
149.04564	0.2
152.08435	0.4
153.09192	1.1
154.09572	0.1
161.04514	0.8
162.04829	0.1
179.03487	0.4
181.12405	0.2
195.65082	0.1
205.12340	1.2
223.13322	0.3
229.14294	0.3
317.10370	0.2
367.17734	0.6
385.18735	0.3
427.07162	0.2
427.12134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12077	2.0
55.65725	2.1
57.03448	9.4
59.01377	15.2
60.99315	3.2
61.98832	45.1
69.25604	16.4
69.26010	4.1
71.01385	10.9
72.99326	3.2
73.02930	2.6
75.00851	3.3
78.95894	4.5
83.01382	4.0
84.02188	2.9
85.02950	75.1
86.03304	3.1
87.00898	4.2
88.00407	3.6
88.98798	14.4
89.02437	4.8
96.96011	74.6
96.96961	3.2
101.02450	4.3
103.00407	2.9
106.82499	2.4
111.00913	3.5
112.98814	6.1
113.02488	3.2
116.92852	4.1
119.03528	2.1
119.05027	6.6
121.02902	2.5
125.02399	2.2
128.03566	2.9
129.01949	6.6
135.04510	2.3
145.02914	2.2
147.03012	5.3
163.03987	6.8
177.05531	3.0
178.99965	2.3
181.01350	3.1
191.01968	100.0
209.03036	4.3
231.01158	2.7
239.05641	13.1
247.06024	4.3
267.89633	2.2
337.05527	6.1
339.01486	2.4
339.04794	10.9
427.06888	2.9
427.12283	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	427.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53535	1.1
54.98747	1.4
57.03447	9.1
59.01378	20.0
60.99317	9.7
61.98831	7.0
62.78860	1.0
68.43874	1.2
69.19901	1.1
70.16164	1.7
70.16518	4.3
71.01382	11.1
72.99305	2.0
73.02937	2.1
75.00871	1.4
83.01380	2.7
84.02181	1.3
84.26245	1.5
84.61651	1.2
85.02950	78.7
86.03268	1.6
88.98804	53.7
89.02460	6.8
95.01364	1.4
96.96015	4.3
98.95578	3.9
99.00886	2.0
101.02464	6.5
103.00350	1.4
111.00900	1.9
112.04025	1.5
113.02431	3.5
118.89964	1.5
119.03541	1.7
119.05031	2.3
126.90501	2.0
129.01910	3.6
131.03499	1.8
145.02977	1.7
147.02998	7.0
155.60419	1.2
161.04541	2.0
163.03993	2.0
173.00905	1.6
174.69876	1.2
191.01973	100.0
192.02336	3.9
235.11832	4.8
264.41806	1.4
280.91257	1.6
296.69427	1.2
337.05667	2.4
367.15948	14.8
367.19766	11.7
424.64883	1.3
427.07831	3.7
440.82321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08626	0.7
57.03448	64.3
58.03807	1.0
59.01382	10.7
59.98518	1.1
61.98830	100.0
68.36036	1.0
69.93633	4.0
71.01382	12.9
76.18042	0.8
78.95915	1.9
81.03433	1.3
81.94389	0.8
83.01388	1.2
83.65703	1.0
85.02951	3.1
87.04505	1.8
87.20663	0.8
87.90612	0.9
89.02445	1.0
90.60970	0.9
96.96008	24.3
98.19994	1.8
98.20579	1.9
99.04519	58.6
100.04854	1.7
101.02444	18.0
103.59373	0.9
104.49812	0.9
113.02431	1.8
117.05508	1.3
121.02953	1.5
124.19234	0.9
125.02449	34.5
128.27718	0.8
143.03519	2.7
148.64235	0.8
161.03268	1.6
161.04555	26.9
175.04425	0.9
191.01920	1.0
202.54774	0.9
214.61391	0.9
280.40021	1.0
321.08441	1.2
338.08694	2.2
382.61890	0.8
391.05765	0.9
392.59998	1.0
426.12408	2.8
427.12634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95719	1.0
59.01381	8.4
61.98830	23.3
69.66036	4.9
71.01381	21.1
72.99310	5.4
78.95910	0.9
79.39691	0.9
85.02967	0.8
90.93427	0.9
92.83958	0.9
107.29197	0.8
108.54097	0.8
111.08115	1.1
115.00373	3.3
115.92108	0.8
125.09761	0.9
127.11279	0.9
133.01424	1.3
153.12852	2.7
158.16885	0.9
167.10747	1.3
179.10786	1.1
179.14487	1.1
181.12350	2.1
187.82509	0.9
197.11815	2.5
199.13411	1.1
207.13904	2.1
215.12810	1.3
247.20712	2.7
273.18658	2.0
281.21143	1.1
291.16730	0.8
291.19644	20.5
292.19922	1.3
307.19125	2.1
309.20700	100.0
310.21045	9.4
319.22604	1.0
407.20715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
60.08777	0.6
61.98834	4.5
62.71725	0.5
69.36810	5.0
71.01396	0.8
78.95901	0.9
81.42049	0.6
84.93908	1.0
94.37106	0.6
96.96033	0.9
99.00908	1.1
99.92584	85.2
100.92602	3.5
100.93379	5.8
101.93433	0.8
109.02985	1.2
115.92075	74.1
116.92858	100.0
117.92879	5.4
142.94485	0.6
149.06068	0.8
171.14468	0.6
191.95219	1.0
201.91209	0.6
209.11726	0.8
220.99162	1.1
236.98654	0.9
266.06134	0.8
276.04599	0.8
279.03204	0.7
280.04193	0.9
285.04495	0.7
292.04294	0.8
295.02692	1.1
307.02844	0.7
313.03763	0.8
320.03488	1.4
321.04419	1.8
321.20248	0.7
338.04639	2.2
357.07849	2.6
359.09500	1.7
363.57880	0.6
371.09589	1.6
374.08252	0.7
375.09201	1.4
377.10657	0.9
385.07715	1.5
386.07751	0.7
389.10590	39.3
390.10788	6.1
393.10324	0.7
403.08459	8.2
404.08685	1.0
407.11545	6.2
408.11926	1.4
421.09491	4.0
422.09824	0.8
425.12717	24.1
426.12900	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	425.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44269	2.1
59.01116	2.8
59.01385	34.7
61.98824	14.4
70.78461	5.3
71.01388	6.4
71.42735	2.4
78.95936	3.2
85.02951	2.1
87.00858	2.5
89.76039	2.7
96.96057	2.7
99.92582	62.9
100.93376	4.9
102.08317	2.1
115.92078	100.0
116.92139	5.8
116.92863	95.2
116.93720	3.9
117.92878	4.6
121.47864	1.8
122.54063	2.1
125.09711	2.0
127.07690	4.2
163.09840	2.4
169.08646	6.3
197.11809	3.7
209.11882	6.4
235.08118	2.2
267.03317	6.1
291.19580	7.9
304.84427	2.2
307.19141	3.3
309.20758	11.4
323.02374	2.2
325.20166	2.9
361.11072	5.8
377.10800	4.0
379.12170	5.7
389.10651	24.4
390.10645	3.3
403.08517	3.7
403.89035	2.2
407.11710	30.5
408.11884	3.1
421.09357	5.2
425.12564	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	425.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94395	0.3
56.59571	0.4
58.05669	0.4
59.01383	2.8
61.98820	1.5
66.20464	0.3
68.55346	0.4
69.85109	1.8
71.01379	1.8
72.99302	0.6
78.95901	0.4
79.95732	9.1
80.96513	1.8
85.02950	1.2
86.81181	0.3
87.00842	0.7
89.02454	0.5
95.95227	5.5
96.96011	100.0
98.20663	0.4
99.04525	0.4
99.92596	1.1
101.02443	1.1
113.02462	0.5
115.92040	1.2
116.92861	0.7
122.97598	0.9
125.02456	0.4
126.90485	0.9
138.97029	3.9
150.97043	1.3
152.98601	0.5
153.01962	0.9
164.98567	0.5
180.98055	0.6
205.81902	0.5
209.02733	0.4
222.99084	0.6
225.00705	2.4
241.00244	10.9
262.92007	0.5
375.80951	0.4
425.07568	60.9
426.02203	0.6
426.07828	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	425.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
59.01382	12.6
60.01693	1.8
61.98832	4.8
69.97658	4.0
71.01385	5.5
72.99327	1.1
73.02937	1.3
74.20251	0.8
75.00874	1.9
78.95901	1.8
83.01371	1.5
84.00914	0.8
84.99326	0.9
85.02969	6.4
87.00876	15.9
88.98798	1.0
89.02436	3.0
96.96010	2.1
97.02928	1.3
98.20056	1.2
98.20564	1.3
99.04514	1.0
99.92544	1.1
101.02430	3.3
103.26416	0.8
109.02949	2.5
110.00110	1.6
111.00870	3.3
112.98815	47.2
113.02404	1.8
113.99199	0.9
115.92065	1.6
119.03526	0.9
121.02972	11.9
123.00859	1.5
125.02408	1.3
125.63361	0.8
125.99576	1.8
129.01945	3.5
135.04488	1.7
137.02472	7.5
137.99596	1.2
138.03156	1.1
139.00407	0.9
139.03964	2.3
140.62221	0.8
141.01880	1.0
143.99614	0.9
150.35663	0.8
153.01912	1.9
153.05582	8.5
154.99916	0.9
155.03413	1.4
165.01968	1.1
173.00961	0.8
179.03418	1.0
180.04317	1.3
181.01408	19.2
181.05025	1.8
182.02188	1.9
182.60753	0.7
191.01923	1.2
193.05054	0.8
194.02190	2.7
194.05765	0.8
196.03763	8.6
197.04562	22.7
198.04947	1.1
202.25253	0.8
204.04292	0.9
209.04614	5.4
211.06062	1.8
219.06586	1.1
224.03262	17.7
230.05533	0.9
239.05605	100.0
240.05878	5.8
244.12631	1.1
245.13037	1.0
281.06592	3.3
309.06052	1.3
325.05600	2.8
327.07077	2.0
353.05096	3.4
371.06308	1.1
381.11966	1.0
424.19095	6.0
425.14981	0.8
425.19363	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	424.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62585	0.9
61.98829	100.0
71.21622	2.0
93.96545	1.0
98.20219	1.5
103.68672	0.9
158.71475	1.0
226.52391	0.8
285.07199	0.9
288.20700	1.1
385.32251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01373	2.1
60.01696	0.3
60.20217	0.2
61.98829	100.0
70.26430	1.0
71.01382	0.4
85.02954	0.7
87.00877	0.9
88.88567	0.2
96.96005	0.6
101.02432	0.3
103.00378	0.5
112.98811	1.2
113.02431	0.3
126.07177	0.3
127.91762	0.3
133.02943	0.7
133.47583	0.2
134.03752	3.2
135.04509	1.7
136.99164	0.3
137.02469	0.6
139.04079	0.3
142.52260	0.2
149.00937	1.4
157.55754	0.3
175.04001	0.3
177.01956	0.9
178.02730	3.2
179.03525	1.0
227.07161	2.8
231.10228	0.3
263.09341	0.7
275.09213	1.4
293.10287	2.6
361.18643	2.9
389.12506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80831	0.3
55.44564	0.3
59.01379	77.7
60.01711	0.5
61.98847	0.4
71.01405	0.3
71.50237	0.4
72.99284	0.3
77.10074	0.3
78.95905	0.7
85.02985	0.7
88.68946	0.3
89.02454	0.3
123.54886	0.3
130.06195	0.3
138.44969	0.3
157.03568	6.6
158.03639	0.4
159.01498	2.2
186.77582	0.3
201.02553	100.0
202.02711	8.1
228.96799	0.4
319.00674	0.4
343.03696	30.5
344.03836	5.0
370.98489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03447	100.0
58.03791	1.9
59.01379	84.8
60.01715	1.0
61.98834	1.0
63.11301	0.6
69.49517	4.7
71.01377	16.9
73.02945	6.6
75.00889	0.6
80.28653	0.7
81.03493	1.5
82.13477	0.7
83.01389	4.7
85.02942	9.7
89.02451	0.9
95.01402	1.1
96.96058	0.8
99.00877	1.8
99.04518	84.6
100.04851	1.8
101.02440	36.6
102.02787	0.8
110.10114	0.7
113.02445	7.4
125.02448	25.3
126.02840	0.9
143.03508	2.3
149.98546	0.7
159.03030	1.6
161.04529	5.8
166.36456	0.7
178.96472	0.7
181.44122	0.6
244.33922	0.7
279.14471	26.0
280.14841	1.2
321.15689	2.5
361.18564	1.1
423.18774	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	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	81.4
59.01379	100.0
61.98820	7.8
64.30337	1.8
65.65291	1.8
70.99834	4.8
71.01382	28.0
72.99312	4.2
73.02936	8.6
75.00870	7.7
78.95912	2.2
79.95705	2.3
83.01373	8.7
83.05035	3.3
84.05360	1.8
85.02949	59.4
87.00880	4.5
89.02444	11.4
96.96007	22.4
98.95502	2.7
99.00878	5.1
99.04521	64.1
101.02435	27.0
103.00343	3.2
109.06516	3.3
111.00854	7.0
111.08168	19.8
113.02441	13.5
119.03484	4.1
123.04494	2.9
125.02444	26.3
129.01921	15.3
134.03720	2.6
135.04510	31.4
136.04855	2.6
143.03481	5.7
145.02946	10.7
146.08195	2.6
147.03008	6.6
151.00383	3.3
159.02943	3.1
161.04550	7.6
165.05505	3.5
173.00893	6.9
173.08202	12.2
173.58488	1.9
179.03450	14.9
191.01999	9.9
201.11115	2.2
205.03439	2.8
209.02946	3.7
224.38016	2.2
237.09621	2.2
237.62793	2.3
242.08443	2.4
243.12328	2.8
249.06061	4.8
254.60364	2.1
261.13300	3.0
263.12872	2.5
263.65112	2.1
279.14417	18.6
321.15506	4.9
343.08447	5.9
385.07922	3.4
387.16513	16.9
397.35114	2.1
403.89398	2.3
423.14151	26.1
424.14774	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03448	100.0
58.03779	2.4
59.01380	91.4
59.71494	0.7
65.87937	1.0
69.62299	4.2
71.01376	13.5
73.02957	5.7
77.58002	0.9
81.03457	1.1
83.01388	3.3
85.02961	9.2
89.02434	1.6
95.01384	1.4
98.20607	1.0
99.00874	2.5
99.04515	93.7
100.04832	3.2
101.02441	34.2
113.02440	6.5
124.49332	1.0
125.02441	27.0
129.01910	0.9
135.04570	1.3
143.03477	4.0
143.40242	0.8
154.42386	0.8
159.02974	1.7
161.04558	5.9
203.16895	0.8
219.19614	0.8
223.06116	1.2
279.14478	26.8
280.14999	2.4
321.15540	7.8
328.85663	1.0
361.18640	1.4
406.60815	0.8
423.18750	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	423.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03451	6.6
58.00602	1.3
59.01379	62.3
60.01713	0.7
61.98839	1.9
63.33612	0.4
71.01381	20.2
71.10017	0.8
72.01696	0.4
72.99314	1.9
73.02952	1.5
75.00888	1.3
83.01357	2.0
84.02172	0.8
85.02950	15.9
87.00881	1.3
89.02444	15.6
95.01382	1.3
96.95999	2.8
96.96970	0.5
99.00859	0.6
99.04516	4.0
99.92587	1.2
101.02441	13.7
111.00868	1.1
113.02452	6.9
114.01261	0.4
115.92120	0.7
119.03487	5.8
125.02454	1.3
129.01956	1.9
131.03506	0.5
132.02119	0.5
134.03740	0.8
135.04523	6.5
139.11320	2.5
143.03474	1.3
147.02983	2.2
149.04585	0.6
151.00378	0.4
161.02478	2.1
161.04523	1.0
163.11349	1.5
169.01472	0.5
179.03488	3.8
179.04878	0.4
179.05736	0.5
181.12366	2.4
183.10307	2.7
191.01991	2.3
197.50595	0.4
199.13385	1.5
201.01782	0.8
201.11281	3.1
205.78325	0.4
209.03087	0.5
215.95218	0.6
216.95981	4.3
217.96480	0.5
218.97510	0.6
223.04613	0.4
225.07829	0.9
225.11320	2.3
243.12366	16.8
244.12793	1.0
244.95412	3.2
261.13501	2.6
262.96628	0.6
342.75668	0.4
362.98215	0.9
363.16583	4.7
363.97549	0.6
387.16629	0.8
405.17688	2.5
423.00394	4.1
423.18695	100.0
424.18997	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	423.1796
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
57.03447	14.0
57.80147	7.6
59.01376	100.0
61.98841	39.4
63.51334	7.1
70.57504	8.0
70.57841	21.2
71.01384	27.7
71.03891	7.2
71.17955	9.1
74.02511	9.0
78.91895	14.5
78.95914	22.1
80.91663	17.6
82.03004	13.9
85.02967	42.7
86.76754	6.9
87.00849	9.5
90.85715	9.5
92.58672	6.7
93.03439	7.7
96.96002	14.7
99.00876	8.7
99.04504	10.8
101.02466	14.9
111.00879	11.3
113.02447	10.9
113.03564	12.9
124.04024	13.4
127.05160	17.3
128.03551	39.8
130.08752	54.3
134.03549	8.3
138.77144	7.5
143.11856	10.4
155.13397	6.6
161.04649	10.1
167.04596	13.3
184.07141	10.2
208.54578	7.8
262.12982	20.7
309.71750	7.5
341.65735	57.4
342.15796	12.9
356.66208	28.1
363.20261	8.8
365.66449	7.2
390.65686	13.8
399.16980	18.2
399.67264	12.9
405.66187	11.4
414.17624	9.2
414.67029	8.9
423.18088	98.8
424.17490	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	423.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48845	0.9
55.90651	0.7
59.01365	2.7
61.98826	6.7
69.95780	3.9
71.92211	0.8
85.02959	1.7
93.03461	0.8
93.84220	0.7
96.95989	3.7
98.19952	1.0
98.20522	1.9
98.95595	1.0
99.00803	0.8
99.92581	95.9
100.92681	4.4
100.93343	4.3
108.02195	0.7
108.24606	0.8
108.63805	0.7
111.04535	1.6
115.92076	87.8
116.92252	4.6
116.92856	100.0
117.92875	4.0
167.07213	1.0
177.05664	0.9
191.95209	0.8
192.95963	5.3
217.96701	1.0
225.11267	1.8
264.04474	1.0
267.03372	2.0
292.04010	1.3
295.02655	1.2
308.03513	2.0
321.04166	1.5
325.03619	1.5
336.02930	2.9
337.03516	1.0
339.06876	1.0
345.07947	0.9
347.09955	1.4
355.06372	1.2
357.08041	2.0
359.09454	1.8
361.03610	1.0
369.07919	3.1
373.07327	1.7
375.08844	2.9
383.05869	1.8
387.09024	42.0
388.09439	5.8
401.06961	7.1
402.06882	1.0
405.10083	15.5
406.10175	3.2
419.08057	1.6
423.11096	9.4
423.20370	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	423.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77008	0.5
57.03452	0.8
59.01112	0.7
59.01385	9.0
61.98831	2.0
71.01377	5.0
71.05843	0.8
72.99318	0.9
78.95901	1.4
83.01424	0.6
85.02951	5.5
87.04517	1.1
89.02447	3.1
96.96014	10.2
96.96981	2.0
98.95596	6.3
98.96457	1.0
99.92590	18.6
100.92696	0.9
100.93373	7.1
101.02438	1.9
111.00878	0.9
113.02441	1.6
115.92081	100.0
116.92083	5.9
116.92867	14.1
119.03477	1.2
126.94984	0.6
129.01970	1.0
132.92281	1.0
135.04520	5.0
142.94431	2.3
153.19122	0.6
161.08179	0.7
168.95958	1.1
170.93993	0.9
179.03683	0.9
191.02063	1.2
199.00662	2.2
201.11296	1.3
210.56400	0.6
216.96075	0.9
218.97295	0.9
223.63628	0.7
226.96480	7.0
244.97583	6.9
245.97766	0.7
291.71530	0.7
361.05960	45.2
362.06201	5.9
363.16754	1.1
387.03851	1.8
393.05038	1.4
407.95624	0.7
423.00290	1.7
423.06061	1.6
423.18756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
57.03445	11.1
59.01382	6.4
66.27434	0.7
68.99830	1.0
69.52491	1.8
69.52908	3.5
71.01382	4.8
72.99313	3.5
73.02962	0.8
74.02571	0.7
75.00877	3.1
78.95910	3.6
79.95737	1.1
80.91683	1.1
83.01378	2.9
84.02169	2.9
85.02948	100.0
87.00887	1.6
88.98788	0.9
89.02437	1.8
96.96004	12.9
96.96969	2.0
98.96605	0.7
99.00874	1.0
99.92656	1.1
101.02439	2.5
103.00381	1.6
109.02962	3.0
111.00866	4.6
115.00352	1.6
123.04495	9.4
129.01944	16.0
133.01430	1.0
133.02968	2.3
135.04564	0.9
137.02451	1.0
147.02998	25.8
151.04005	16.0
161.02515	1.3
163.02467	1.2
169.00606	20.3
173.00896	2.9
191.01967	47.6
192.02367	1.7
209.03015	15.7
212.99611	1.1
245.77890	0.9
266.99295	0.8
272.08951	1.1
285.00165	1.3
405.02228	1.5
423.03439	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	422.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.8
59.01378	3.5
61.98829	100.0
70.70845	1.1
71.01382	1.6
72.99307	0.8
73.02928	0.4
75.00902	0.5
83.01379	0.5
84.02168	0.5
85.02950	14.3
86.03288	1.7
86.87415	0.3
89.02460	0.7
95.09611	0.3
96.14611	0.4
96.96003	2.7
99.00880	0.5
101.02452	0.8
109.85406	0.4
111.00903	0.7
121.02914	0.3
121.42113	0.3
129.01926	1.4
133.02946	0.5
134.03639	0.4
135.04504	1.3
145.02875	0.3
147.03020	2.7
161.02480	0.6
161.04579	0.5
179.03618	0.4
191.01942	2.7
209.02983	0.7
241.00296	0.7
246.98933	0.4
263.36749	0.4
363.16620	1.0
422.04880	0.7
423.18646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89521	0.3
60.39764	0.3
61.98831	100.0
62.62882	0.3
64.63245	0.4
69.46881	0.4
72.77216	0.3
76.54137	0.4
98.19840	0.7
121.04880	0.4
132.55775	0.4
216.53973	0.4
237.73473	0.4
244.53011	0.3
409.12924	0.4
425.10535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98831	18.7
62.59512	0.4
71.52952	0.8
72.99303	0.6
74.78101	0.5
78.95906	2.1
83.08369	0.5
85.02950	0.8
89.31178	0.5
90.54877	0.4
90.93423	0.5
96.24322	0.5
96.96011	0.7
99.92559	0.9
113.00657	0.6
174.10780	0.6
188.14864	0.6
188.28575	0.5
189.92799	0.5
254.99236	0.8
257.00800	0.6
269.00970	0.6
269.98004	6.5
270.98532	0.6
283.99466	0.7
285.00400	11.3
286.00763	0.9
297.97528	31.7
298.97885	2.8
312.99893	59.7
314.00266	4.9
328.02231	67.4
329.02548	6.6
343.04562	100.0
344.04834	8.4
423.00214	4.8
424.00827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67454	0.4
55.01890	3.2
57.03445	4.0
58.00589	4.3
59.01381	92.1
60.01704	0.9
61.98834	3.3
69.03446	2.5
71.01382	93.3
72.01723	1.3
72.99303	6.5
73.02948	16.0
75.00863	1.2
80.34766	0.5
81.03457	1.0
83.01382	8.3
85.02950	24.7
85.15840	0.5
86.00099	0.8
86.03312	0.6
87.00872	8.5
89.02445	100.0
90.02795	1.4
94.19253	0.5
95.01382	4.1
96.96008	1.6
97.02931	2.5
99.00884	6.1
99.04525	0.9
101.02443	62.3
102.02775	1.3
109.02949	0.5
111.00880	4.8
113.02454	27.7
115.04001	1.5
119.03509	15.4
125.02454	5.4
127.11304	0.5
129.01906	1.0
131.03505	46.0
131.13577	0.5
132.03821	1.1
139.04063	0.6
143.03494	4.5
149.04555	55.1
150.04915	1.5
159.02969	1.6
161.04556	13.8
179.05638	4.8
191.05602	20.4
192.06021	0.5
233.06613	2.7
251.07983	0.6
254.94882	0.6
289.16562	20.8
290.16962	1.1
421.20773	26.3
422.21283	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03440	1.9
58.00600	0.5
59.01381	28.2
60.01707	0.5
61.98827	6.8
65.13373	0.5
68.78646	0.4
69.03458	0.8
71.01381	47.5
71.05015	1.0
72.01703	0.6
72.99295	2.0
73.02953	3.0
77.10580	0.5
78.95947	0.5
83.01386	1.7
85.02946	7.4
87.00887	1.4
89.02445	9.6
95.01390	1.0
96.95958	1.0
97.06551	0.7
98.20242	0.5
99.00896	1.2
101.02441	8.4
109.02942	0.9
111.08169	1.1
113.02458	5.9
119.03532	3.6
119.05009	0.5
125.09724	0.5
126.90512	0.6
135.04523	0.5
143.03479	0.9
153.94070	0.5
155.53333	0.6
161.04590	0.8
165.12834	8.2
179.05519	0.5
183.13893	5.9
199.13446	1.1
201.14850	0.6
209.11832	5.8
227.12883	18.5
228.13191	1.0
241.14479	1.6
245.13962	4.7
259.15497	2.4
357.38181	0.5
373.16077	0.5
389.18207	7.0
403.20074	0.5
421.20767	100.0
422.21118	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	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
55.50787	0.8
57.03448	100.0
58.03761	1.5
59.01379	83.0
59.52212	0.9
61.98830	5.3
65.76146	0.9
69.13675	0.8
70.63859	1.1
70.64175	1.9
71.01377	13.7
71.05014	1.4
73.02943	7.6
78.95900	1.7
81.03462	1.9
83.01397	4.3
85.02950	10.9
89.02425	1.5
95.37355	0.8
99.00897	2.5
99.04518	83.0
100.04852	2.4
100.63972	0.9
101.02441	38.5
110.98520	1.0
111.16465	0.8
113.02461	6.7
125.02438	24.0
143.03488	1.9
145.01434	1.0
159.02939	1.7
161.04539	5.7
178.98972	1.0
221.08188	3.5
277.16537	30.3
278.16953	2.9
304.08002	0.9
319.17462	3.4
359.20761	1.5
409.71658	1.1
421.20880	8.4
422.21182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42940	6.9
57.03450	25.5
59.01379	100.0
61.98827	67.4
63.77525	8.1
70.19685	7.6
71.01398	12.3
71.52146	6.9
78.95896	15.4
83.01402	7.9
85.02962	26.0
96.96053	9.5
99.04521	23.3
109.06524	7.5
110.98518	7.6
113.02386	7.4
126.33228	6.9
126.90491	8.1
129.01932	17.6
147.03024	9.6
173.00916	9.4
201.11378	8.2
317.36780	9.6
356.42154	7.5
421.19116	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	421.2078
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01877	5.0
57.03448	5.6
58.00595	3.1
59.01377	65.1
60.01700	0.7
61.98840	1.3
68.99818	0.7
69.03456	2.8
69.63815	0.3
69.64227	0.8
71.01379	100.0
71.05009	0.6
71.56367	0.2
72.01724	1.2
72.99306	4.8
73.02943	25.8
74.03278	0.5
75.00874	1.2
81.03448	1.8
83.01384	14.1
84.02177	0.3
84.64629	0.2
85.02948	38.3
86.00089	0.7
86.03288	0.8
87.00878	5.1
87.04518	0.2
89.02441	52.4
90.02775	0.8
95.01382	4.9
96.95995	0.5
97.02943	5.3
98.19967	0.3
99.00875	11.5
99.04494	0.5
101.02438	65.1
102.02782	0.9
102.69807	0.2
109.02976	0.3
111.00880	8.0
111.04482	0.4
113.02446	28.9
114.02768	0.7
115.03990	2.3
119.03503	2.4
121.02914	0.3
125.02444	9.3
126.02798	0.3
127.04008	0.6
127.11304	1.8
129.01927	1.9
131.03493	26.9
132.03813	0.7
136.12392	0.2
137.02438	0.5
139.03996	0.5
143.03491	5.0
149.04552	15.4
150.04861	0.4
159.02983	4.6
161.04546	26.9
162.04886	0.8
167.03438	0.2
167.10826	0.4
173.04517	0.5
185.11908	0.2
187.06134	0.5
191.05580	3.4
193.12398	0.5
203.05603	0.4
205.03477	0.8
211.13393	0.3
215.05559	1.2
217.99974	0.2
233.06642	7.2
234.07072	0.3
267.64725	0.2
271.15442	0.6
283.72559	0.2
289.16547	41.8
290.16904	3.2
293.08765	3.1
317.41641	0.2
333.15363	0.4
421.20749	58.3
422.15549	0.4
422.21085	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	13.5
59.01121	5.6
59.01385	100.0
61.67686	4.9
61.98824	34.7
69.44038	11.9
69.44445	24.2
71.01378	15.4
85.02938	12.5
87.35364	4.6
92.04939	4.9
95.20135	5.9
96.95986	6.8
98.20655	9.5
101.02425	8.5
112.31151	5.3
116.56693	5.5
120.99652	8.1
308.02029	5.3
421.16119	57.1
421.20871	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	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03449	100.0
58.00589	1.7
58.03787	0.9
59.01379	84.0
61.98819	3.3
63.18478	1.0
70.84079	2.4
71.01382	34.2
72.99309	2.2
73.02943	22.7
75.00867	1.5
79.05540	2.0
79.96545	0.9
81.03453	3.2
83.01385	11.4
83.33982	1.0
85.02945	25.3
87.00873	2.3
89.02446	16.6
95.01392	2.3
96.96022	1.6
97.06573	2.7
99.00881	1.8
99.04518	86.3
100.04874	1.6
101.02439	46.4
107.05000	1.0
109.02844	1.0
111.00879	2.0
113.02443	13.8
113.06066	3.7
115.00397	1.3
119.03476	5.8
123.04520	14.2
125.02448	32.7
129.01930	4.6
131.03525	1.8
133.02956	3.7
134.03712	1.2
135.04524	33.7
136.04866	2.1
141.05568	3.3
143.03503	8.0
144.75769	1.2
147.02986	4.1
149.04550	3.8
153.05592	4.7
161.02441	1.6
161.04582	11.2
171.00293	2.6
173.00868	3.0
179.03477	19.1
179.05688	4.6
191.01933	5.7
215.12869	2.1
221.06622	2.7
223.04543	1.7
232.88466	1.0
241.14432	1.5
242.95573	1.1
259.02457	1.0
259.06180	1.0
277.12653	1.2
301.03494	2.5
331.04514	1.3
353.05133	1.5
361.18564	1.7
377.18042	1.5
385.07523	1.5
404.26053	0.9
421.07672	1.7
421.16116	3.1
421.21536	15.4
422.21445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03199	5.6
57.03448	56.9
59.01377	100.0
61.98814	25.9
66.33984	4.4
70.83877	7.4
71.01373	35.2
72.99310	8.3
73.02943	7.8
75.00886	8.0
82.95437	4.3
83.01389	15.2
85.02944	41.7
86.03250	4.7
87.00874	5.1
89.02443	7.6
94.16621	4.7
96.96011	43.6
99.00853	9.7
99.04516	39.5
101.02432	23.1
111.00909	9.4
119.05020	7.1
125.02451	15.9
129.01904	16.3
133.02924	7.6
134.03661	5.0
135.04507	43.8
135.98364	7.0
143.03438	13.2
145.02936	8.4
149.62503	4.1
159.10226	5.9
161.04538	18.9
167.02458	4.7
171.00267	4.5
173.00888	16.8
179.03464	17.2
187.09766	4.9
187.22353	4.5
191.01988	7.2
209.75650	4.3
223.04474	6.7
234.47629	4.2
247.06018	5.7
277.12860	16.1
335.04025	4.8
353.04993	8.2
361.18814	9.2
383.17197	5.2
385.07742	11.2
421.16223	48.7
422.16306	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25594	4.7
57.03446	15.8
58.16516	4.9
59.01375	100.0
60.13328	4.6
60.86515	4.5
61.98835	26.1
71.01377	22.2
71.52654	7.5
72.20053	4.6
72.99303	7.8
73.12908	4.8
74.00686	4.8
75.00854	6.2
78.95905	7.3
79.95723	7.3
81.03507	7.3
83.01395	6.2
85.02943	83.4
87.00874	5.4
87.01713	4.9
88.98789	7.4
96.95998	47.3
99.04533	6.9
101.02436	11.2
109.02966	5.0
113.02467	6.0
115.71773	6.0
117.03452	6.3
119.05000	6.6
120.99625	13.9
125.02448	6.7
129.01945	11.3
143.74165	5.5
145.02928	32.5
147.02959	5.9
150.03232	7.2
163.00320	5.2
173.00830	7.2
190.05096	10.7
190.99950	5.8
191.01938	27.2
214.00140	5.1
217.06129	7.6
223.04533	7.4
228.97307	8.6
243.99545	12.6
259.02011	25.6
259.07166	12.1
291.09872	11.8
345.10782	15.3
408.10922	6.1
421.16568	44.9
421.21130	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.4
59.01372	24.9
61.98830	67.3
63.04325	1.8
69.92665	9.1
71.01388	7.5
72.99312	2.5
73.02946	3.7
75.00837	2.6
79.95736	2.0
83.01362	3.7
85.01000	2.3
85.02956	12.7
87.00875	4.3
88.98810	4.6
89.02454	4.7
94.68141	2.0
96.96013	92.1
98.20542	3.6
99.04518	2.6
101.02460	5.4
101.06097	4.9
103.84874	2.1
107.05026	2.0
111.00879	3.8
113.02438	3.4
125.02440	3.2
129.01901	5.7
130.64636	2.0
135.04515	22.2
138.51387	1.8
143.03476	2.5
143.07159	5.4
152.98636	5.7
160.98607	2.0
173.01001	2.8
179.03499	5.6
180.98148	2.9
191.01967	5.6
223.04626	2.4
241.00227	100.0
242.00520	3.6
243.12349	3.2
250.81094	2.2
251.06897	2.1
349.12994	6.9
421.05209	9.6
421.11526	11.5
421.16400	54.4
422.16946	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	421.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31293	1.0
55.01871	5.8
57.03450	24.1
58.00613	1.4
59.01380	34.2
61.98829	13.7
67.01875	1.1
71.01381	15.2
71.05047	1.7
71.51136	1.3
72.01742	1.3
72.99303	2.7
73.02930	5.3
75.00873	3.8
80.96484	1.1
81.03452	1.1
83.01390	19.2
84.02171	2.2
85.02949	100.0
86.03283	2.0
87.00871	2.0
88.98740	1.7
89.02443	7.8
93.03484	1.2
95.01363	1.2
96.96011	39.1
99.00888	4.9
99.04530	10.6
101.02444	13.2
111.00879	16.1
111.08127	1.4
112.98849	1.1
113.02455	4.0
115.04039	1.9
119.03509	2.8
123.04496	2.1
125.02457	3.5
127.07614	1.7
128.03523	1.1
129.01942	57.0
130.02278	1.1
133.02992	1.2
134.03752	3.1
135.04521	56.4
136.04843	1.9
143.03511	13.8
143.04570	1.5
147.03014	10.9
147.04077	1.5
147.87901	0.9
152.98602	1.4
153.05565	1.4
156.54912	1.0
161.02419	1.1
161.04590	3.3
167.03532	1.5
170.03078	1.1
173.00903	8.3
179.03487	23.3
179.10822	3.0
184.57240	1.0
187.02466	1.0
191.01929	14.2
193.44882	1.1
197.42023	1.1
199.09857	1.9
205.03526	18.2
206.03891	1.0
223.04611	4.8
223.09810	3.0
241.00212	31.1
241.10829	5.8
242.00742	2.1
259.11823	1.2
259.82095	1.0
272.08795	1.2
289.17801	1.0
323.04300	1.7
346.09683	1.0
353.05151	5.4
361.14999	4.4
385.07764	11.6
421.04501	9.9
421.16629	15.2
421.21228	3.6
422.16824	1.2
433.80444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0443
Annotation	Carbenicillin sodium
Peak:m/z	Relative Intensity
52.00749	0.3
55.01879	0.4
57.03443	0.4
57.12764	0.3
59.01366	1.9
61.98831	1.0
71.01380	2.3
71.05856	0.9
72.99303	0.4
73.02923	0.6
75.21709	0.4
79.95733	3.3
80.96521	3.1
85.02953	1.8
87.00871	1.1
89.02454	0.8
96.96009	100.0
97.02909	0.4
99.00870	0.9
101.02444	1.3
113.02444	1.2
125.02435	0.6
135.04520	13.2
136.04794	0.4
138.97066	8.8
143.03503	0.6
149.06052	0.4
150.97072	1.4
164.98604	0.8
168.98090	1.1
179.03488	12.4
180.03839	0.5
180.98073	1.1
209.03018	0.8
221.04523	0.8
222.99174	1.5
241.00221	51.8
242.00499	2.1
341.08707	1.4
421.04428	50.7
422.04700	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	419.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57519	0.6
56.73455	0.5
57.03445	1.7
58.29369	0.6
59.01380	100.0
59.63011	0.6
60.01706	0.7
61.36834	0.6
61.71963	0.6
61.98827	3.4
69.03463	0.9
70.41014	0.5
71.52338	1.0
78.19720	0.5
79.05546	1.5
80.96506	0.7
85.02930	0.7
94.81030	0.7
95.82220	0.6
98.00394	0.6
98.54766	0.7
109.06596	11.6
111.08140	0.6
114.22556	0.6
191.10802	2.1
249.15016	1.8
279.70535	0.6
283.16943	5.6
359.22409	1.9
384.51880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33207	1.1
50.88893	1.1
59.01380	8.7
60.01748	1.0
61.98831	100.0
69.43998	8.9
70.80209	1.3
79.95732	3.2
80.96515	3.9
96.95999	6.6
98.20065	3.8
107.24998	1.1
124.53393	1.1
139.88425	1.3
157.51891	1.3
189.89816	1.1
332.34940	1.2
420.17819	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.9
60.43021	0.3
61.98831	1.7
69.21656	0.8
69.22063	1.9
79.95754	0.5
83.23990	0.3
87.04514	100.0
88.04847	1.8
96.95982	0.3
120.20168	0.3
155.65088	0.3
191.04739	0.3
233.41756	0.3
241.44977	0.3
244.21794	0.3
332.78571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
57.48552	0.8
59.01378	100.0
60.61366	0.8
60.68263	1.0
61.86773	0.8
61.98829	28.8
65.43744	0.8
70.71942	2.6
79.95737	7.9
80.96506	1.7
83.93840	0.7
85.02934	1.0
96.96011	10.7
109.06587	2.5
138.75587	0.8
160.31621	0.7
283.17099	1.8
359.22107	1.8
419.17325	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	1.5
61.98838	1.2
78.95928	0.8
83.71495	0.7
94.99049	1.5
98.20741	1.8
101.14582	0.7
137.69647	0.8
152.99667	1.3
271.74969	0.8
375.98746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	54.5
60.01704	0.8
61.98830	2.5
71.01379	0.9
71.52386	0.9
83.34686	0.6
85.02935	0.8
87.04515	100.0
88.04860	1.7
96.96028	0.9
109.68725	0.5
130.98422	0.4
132.58791	0.5
218.38823	0.5
229.83446	0.5
436.87366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01379	100.0
60.01712	0.9
61.98829	7.0
62.35868	0.6
69.40657	4.0
71.01382	4.4
73.02975	0.9
76.96419	0.5
80.96569	0.6
85.02946	4.0
87.00876	0.7
88.98806	1.3
89.02431	3.1
96.95982	0.8
99.00900	1.0
99.04543	0.8
101.02427	2.8
103.00365	5.0
113.02431	1.9
119.03516	1.2
125.02459	0.6
139.11276	1.0
143.07172	1.8
145.02957	1.5
161.04575	1.2
167.46170	0.6
178.74821	0.5
183.10289	0.9
191.02011	1.1
191.17459	0.5
199.44576	0.5
223.04587	1.4
243.12378	4.4
285.13419	1.1
317.15997	0.9
334.18753	0.6
359.17084	2.0
377.18109	1.7
402.17462	0.6
419.10706	1.7
419.19650	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	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	10.6
57.03450	10.0
58.00587	2.6
59.01379	61.7
61.98830	16.2
66.61530	1.1
69.03433	1.3
71.01381	71.9
71.51443	1.2
72.99310	4.3
73.02950	25.8
75.00875	4.3
78.95886	2.1
79.95760	1.3
83.01389	15.0
84.02152	1.5
85.02952	75.6
85.06590	3.5
85.65157	1.1
86.00117	2.2
87.00866	4.8
88.98810	4.1
89.02444	13.7
95.01392	4.8
96.96014	4.5
96.96968	2.1
97.02953	2.8
98.17377	1.0
99.00881	100.0
100.01224	2.5
101.02444	54.9
103.00364	2.1
111.00868	5.5
111.08116	1.2
113.02457	25.9
119.03480	3.8
123.04554	1.3
125.02464	2.3
129.01945	5.3
132.32864	1.3
133.02991	1.6
143.03502	4.4
143.07129	4.1
145.03075	1.3
147.03006	4.7
147.04329	1.0
157.12381	1.5
159.02957	7.7
161.02493	2.1
161.04553	40.4
162.02792	1.8
166.05003	1.4
173.00938	1.6
191.01993	22.9
191.03664	2.1
194.98491	2.2
197.11812	1.8
205.03508	3.6
209.03024	5.3
215.12903	3.7
219.47044	1.1
223.04564	16.7
310.44931	1.1
319.17609	88.9
320.17874	6.1
324.08282	1.2
359.17120	6.7
363.16513	1.4
377.18167	35.4
378.18457	3.0
419.19241	69.8
420.19659	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81181	8.8
59.01383	83.9
61.98829	100.0
71.01374	15.9
71.24047	13.6
78.95902	16.7
79.95699	10.0
85.02956	13.7
101.02444	13.7
119.05019	15.5
181.68945	10.1
225.10893	11.1
283.33224	12.0
419.17697	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	419.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	6.7
59.01382	100.0
60.43597	7.4
61.98831	98.0
71.52909	8.5
85.02941	18.6
89.02452	8.2
95.25725	8.0
98.06767	7.1
116.92797	7.1
187.78661	7.3
197.06107	12.8
221.12029	8.5
237.80878	7.9
257.08133	22.0
259.30557	7.4
377.21674	8.1
419.22134	14.3
419.30356	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	419.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77475	0.6
54.86092	0.7
57.03452	1.3
59.01380	100.0
60.01706	0.8
61.98832	2.2
62.16634	0.7
67.82617	0.6
71.01376	5.3
72.99323	0.9
73.02951	1.9
78.95890	0.7
83.01403	0.9
85.02948	3.3
87.00890	1.0
89.02462	2.9
91.85374	0.6
99.04507	1.0
99.71644	0.6
101.02443	5.0
103.54547	0.6
110.44588	0.7
113.02482	2.1
119.03504	1.1
125.02479	0.7
126.90508	0.7
131.03540	0.7
149.04594	1.2
161.04559	3.0
183.10425	0.7
299.15103	1.3
317.16028	5.7
319.40997	0.7
359.17291	2.9
419.18588	0.9
419.23410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.175
Annotation	Murrastifoline F
Peak:m/z	Relative Intensity
54.94500	0.6
59.01376	4.2
61.98833	19.2
79.95739	80.5
80.96519	12.9
96.96011	100.0
303.34177	0.6
346.06079	0.6
419.17413	71.3
420.17804	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	418.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18681	0.7
59.01383	2.2
61.98830	100.0
70.71257	1.8
71.01379	1.1
79.63577	0.7
131.55818	0.8
189.15395	0.7
205.50098	0.9
220.04112	0.8
271.73831	0.7
291.19809	2.5
292.20117	1.6
307.19479	0.8
348.40027	0.8
418.29123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37512	1.2
54.41283	1.2
59.01365	3.1
60.57294	1.1
61.98830	100.0
62.66835	1.0
93.91460	1.0
109.04571	1.3
110.39664	1.3
164.43016	1.2
266.63638	1.2
289.77975	1.4
393.48840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47775	0.5
57.03443	0.5
59.01379	100.0
60.01746	0.6
60.48951	0.5
61.98833	2.3
70.82217	1.0
97.06599	0.7
104.78642	0.5
117.49033	0.6
125.09766	0.8
125.87333	0.9
148.81158	0.6
157.86325	2.3
164.84651	0.5
191.10802	0.8
197.89441	1.2
209.11932	1.4
228.51512	0.6
291.19687	0.7
306.09732	0.5
307.40024	0.5
330.49524	0.6
415.30923	1.0
417.32166	8.5
417.37119	0.6
418.04764	0.5
418.32745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03448	2.7
59.01378	100.0
60.01711	1.0
61.98827	9.0
69.56874	2.5
71.01379	30.7
72.99298	0.8
73.02942	10.4
75.00868	0.8
80.61416	0.5
83.01385	3.6
83.01826	0.5
85.02952	15.6
86.03309	0.6
87.00886	1.2
88.98810	1.1
89.02446	2.9
91.83447	0.5
95.01400	2.1
96.96031	1.1
97.02948	0.5
98.20548	0.8
99.00880	3.8
99.01479	0.6
101.02439	18.5
103.00400	0.7
103.04546	0.6
111.00894	0.6
113.02448	13.7
114.02876	0.6
115.67831	0.5
119.03533	0.7
121.02959	0.6
125.02436	0.7
129.01952	0.9
139.07637	4.4
143.03526	2.6
159.02979	3.9
161.04552	38.5
162.04936	1.4
164.82341	0.6
165.09183	3.8
191.02066	0.6
195.10358	1.2
205.03574	0.9
234.25639	0.5
271.02448	0.7
300.02829	0.6
357.15515	25.6
358.16025	2.1
372.30347	0.5
395.67975	0.5
417.17480	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03448	2.1
58.00592	0.8
59.01377	100.0
60.01715	1.5
61.98820	3.7
71.01378	24.5
71.51141	0.7
71.51455	0.7
72.99314	1.5
73.02942	4.5
83.01395	1.9
85.02954	10.7
87.00885	1.9
89.02444	19.8
93.03441	0.6
95.01385	1.9
96.96035	0.9
99.00891	1.5
101.02431	16.1
113.02450	12.5
114.02757	0.8
119.03490	9.5
125.02477	0.8
129.02010	1.1
131.03487	1.2
143.03496	1.8
146.08258	0.6
149.04588	1.0
159.03033	1.5
161.04549	19.1
162.04820	0.8
166.04980	0.7
177.09213	6.5
179.05598	6.8
191.01953	1.3
195.10271	1.1
209.03058	2.0
271.10794	0.7
309.39383	0.6
357.15524	30.5
358.15988	3.0
417.08844	1.0
417.17587	4.7
441.42627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0828
Annotation	Juglanin
Peak:m/z	Relative Intensity
50.95262	0.2
53.52744	0.2
57.03448	6.3
59.01377	6.5
61.98835	2.3
65.00327	0.5
71.01384	2.4
72.99308	0.7
73.02950	1.3
80.91649	0.3
83.01379	1.5
85.02461	0.4
85.02953	5.6
87.00896	0.4
89.02456	1.2
96.88220	0.2
96.96010	0.7
99.00866	0.4
99.04520	3.9
101.02441	2.7
105.03465	0.3
107.01385	2.1
111.00878	0.6
113.02435	0.9
119.03461	0.4
119.05038	2.1
121.02962	3.5
123.04546	1.2
125.02449	1.8
129.01942	2.7
133.01930	0.4
133.02945	7.0
133.06578	0.4
135.04480	0.4
149.02420	1.5
151.00374	4.7
161.04553	0.5
161.05916	0.2
173.00874	0.6
175.03975	2.7
189.05531	0.6
191.02057	0.3
197.05977	0.5
198.03145	0.3
199.04030	2.2
201.01950	0.5
213.05507	0.6
215.03447	0.4
217.05067	1.1
237.14861	0.3
241.05147	0.6
243.02979	0.7
251.05579	0.8
256.03748	1.3
257.04752	0.3
259.10934	0.6
267.02972	0.3
271.07108	0.3
284.03308	2.3
285.04031	100.0
286.04361	7.0
311.06744	0.3
333.43317	0.3
345.22760	0.3
379.16541	0.9
413.04822	0.3
417.08243	14.8
417.12909	0.7
417.21091	0.8
418.08450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70695	1.2
54.09970	1.1
55.64506	1.2
55.68265	1.0
59.01383	2.1
61.98831	100.0
63.62999	1.0
65.63937	1.2
71.51820	1.7
85.10529	1.2
111.80760	1.1
126.02195	1.4
128.22612	1.3
154.51787	1.2
184.93672	1.5
322.91840	1.2
413.29822	1.1
415.16833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	28.9
58.03785	0.9
59.01376	14.6
60.98194	0.7
70.54271	2.4
71.01370	2.4
73.02930	0.9
75.00877	1.6
79.95726	4.2
80.96552	1.4
81.03471	0.9
82.14371	0.7
83.01382	2.6
85.02948	22.8
87.00872	0.8
88.28128	0.9
88.98824	1.5
96.96011	32.9
97.38416	0.7
99.00886	0.9
99.04515	26.5
101.02448	13.2
110.21939	0.7
111.00871	2.2
123.04520	1.0
125.02436	2.9
125.64104	0.8
128.03506	1.0
129.01970	3.8
134.03763	0.9
134.25516	0.7
135.04504	3.2
136.01669	1.4
139.04129	0.8
143.03474	1.7
147.03017	2.1
147.53418	0.9
149.02397	1.0
151.04022	2.6
161.04536	12.7
164.98639	1.3
165.05537	0.8
173.00902	1.5
180.98039	1.1
181.98499	0.7
191.01949	8.4
192.02332	1.6
193.07198	7.2
205.03511	1.2
209.03021	3.4
211.06029	1.3
223.04665	4.4
255.01762	3.8
273.02823	11.9
279.94449	0.8
293.66031	0.7
337.11490	1.6
355.06995	4.3
357.04953	2.9
417.07056	100.0
418.07300	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	417.0828
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01388	3.6
61.98832	3.2
64.37003	0.4
69.54266	3.2
74.00679	0.4
80.91673	0.6
85.02937	2.2
89.02468	1.0
96.95985	0.5
98.20617	1.0
101.02435	0.7
101.89555	0.4
107.01371	0.8
108.57906	0.4
109.02882	0.4
113.02358	0.5
132.02148	0.9
135.00909	0.5
151.00372	1.6
154.55818	0.4
157.99466	0.4
159.04590	0.4
160.38518	0.4
163.00308	0.6
183.04463	1.2
187.03894	0.8
199.03941	0.4
211.04016	1.3
213.05504	0.7
227.03487	62.0
228.03824	4.6
229.05009	1.8
248.55704	0.4
255.02974	83.7
256.03543	11.9
257.04446	1.4
281.02499	0.5
284.03253	82.1
285.03897	20.8
286.04285	1.0
327.05087	1.0
417.08249	100.0
418.08551	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	416.047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
57.03450	10.1
59.01380	18.0
61.98831	6.7
70.79152	3.4
71.01381	12.1
72.99297	3.3
73.02946	2.5
75.00875	3.9
78.91898	1.6
83.01387	3.9
83.05016	1.4
84.02166	1.3
85.02949	100.0
86.03281	2.7
87.00871	3.8
88.98803	2.6
89.02444	4.4
96.95995	5.3
101.02443	5.3
103.00325	2.2
109.03010	1.8
111.00895	3.2
113.02454	2.6
121.03028	1.4
121.06549	1.6
123.04506	1.2
125.02428	1.5
128.03520	2.2
129.01964	7.4
133.01413	2.3
133.02956	3.4
135.04530	11.6
137.02475	1.9
139.07578	1.7
140.60089	1.3
147.02989	13.6
151.00421	3.3
155.00043	2.1
161.02452	11.6
164.07181	2.4
166.06252	2.6
173.00912	2.4
178.99936	2.4
179.03482	6.2
179.89413	1.3
181.08711	3.0
191.01970	70.2
191.10709	2.2
192.02179	2.5
209.02998	21.6
223.04521	4.0
238.15675	1.4
250.06490	2.4
280.03552	1.8
307.02484	1.9
336.36514	1.4
353.05197	6.1
370.35281	1.4
416.11972	2.2
416.16483	4.7
417.10236	2.7
434.06027	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	416.047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
57.03445	9.5
59.01376	5.1
61.98817	2.8
71.01375	1.8
71.50388	1.5
72.99310	0.9
75.76521	0.7
77.94470	0.6
83.01392	2.5
84.02155	2.5
85.02948	82.3
86.03276	1.0
89.02541	0.7
100.67268	0.8
103.00381	1.5
107.89430	0.7
108.02184	4.1
109.02930	1.5
111.00876	1.7
111.86020	0.8
116.78206	0.7
121.02901	0.8
129.01935	5.1
135.04536	3.3
147.01921	1.1
147.02966	5.1
152.01164	7.9
162.86952	0.7
163.03952	0.8
173.00858	1.0
179.03442	1.7
191.01962	100.0
192.02315	3.4
200.17268	0.7
209.03020	3.7
223.04616	3.9
231.00830	0.8
353.05206	7.0
417.10303	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	415.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78201	2.4
58.26543	2.1
59.01377	100.0
61.98819	5.9
64.78329	2.5
65.23672	2.1
71.43011	2.1
75.00874	8.7
80.02694	2.6
81.03465	2.5
82.04060	2.4
97.06599	3.1
98.19918	9.9
98.20644	9.4
103.00381	5.4
103.84282	2.1
125.09691	3.1
132.26083	2.6
153.09145	3.0
169.08644	3.6
191.10782	5.0
207.10175	2.9
209.11751	4.1
268.13144	21.4
269.13693	3.9
291.19589	2.6
370.53442	2.4
399.38150	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	416.047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03449	6.8
58.14267	0.9
59.01377	4.1
60.89806	0.7
61.98824	1.8
63.44761	0.7
69.44446	5.1
71.01393	0.7
82.20327	0.6
83.01382	1.3
84.02161	1.5
85.02948	84.1
86.03278	1.9
103.00385	0.8
109.80026	0.6
114.09706	0.7
116.04915	0.7
120.19784	0.7
129.01945	2.4
131.81253	0.7
135.04541	2.2
147.03012	4.7
173.00912	0.8
179.03499	1.9
191.01967	100.0
192.02306	2.8
353.05090	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	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.8
60.99304	16.8
61.98827	23.4
66.50369	1.9
66.76096	2.2
73.02937	4.3
88.98802	100.0
93.28105	2.1
121.02885	2.3
163.11275	2.3
194.08163	6.6
209.11841	15.6
217.04216	2.0
229.01462	2.7
236.40294	2.2
250.52348	2.1
282.98932	2.1
307.19135	4.3
415.15112	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	414.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92202	0.2
56.63003	0.2
57.03448	0.5
59.01378	1.6
61.98827	100.0
71.01370	0.8
84.96639	0.2
85.02934	1.3
85.78004	0.3
87.00856	0.3
88.98804	0.9
89.02466	0.3
96.96065	0.3
99.00844	0.3
101.02464	0.3
110.58356	0.2
113.02452	0.3
119.05001	0.4
124.07928	0.2
135.04535	0.2
153.01956	0.3
163.04024	0.5
168.57928	0.2
191.02016	0.3
229.81754	0.3
267.07285	0.7
268.07562	0.7
354.21179	0.4
379.15973	0.4
410.41968	0.3
414.11261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35970	1.0
55.01856	1.2
57.03451	6.8
59.01113	2.0
59.01383	26.4
61.98835	6.6
63.27995	1.0
67.01884	1.4
67.18536	1.0
68.99809	3.2
69.03451	2.8
71.01388	18.4
71.51261	1.4
72.99327	5.3
73.02958	2.7
75.00871	14.2
77.03958	2.2
78.95862	1.6
83.01396	2.3
84.02195	1.7
85.02953	40.1
86.03304	1.6
87.00888	5.1
88.98814	0.9
89.02452	5.7
93.03448	3.0
95.01372	4.4
96.96015	2.6
99.00884	8.9
99.04485	1.1
99.92613	1.1
101.02438	3.3
107.05043	1.6
108.02177	1.6
109.02956	1.7
111.00852	3.9
113.01704	1.9
113.02448	15.2
115.00354	1.7
117.01960	2.7
119.03499	1.5
121.02961	88.5
121.08181	1.0
122.03304	2.5
123.04536	1.4
129.01964	6.8
133.02997	1.5
134.03755	31.1
134.04692	1.2
135.04485	3.5
137.02391	3.1
143.03510	1.7
147.02951	2.7
149.06108	11.3
153.05533	1.2
157.01503	1.2
158.16125	1.0
161.02446	3.2
165.01933	46.8
165.05515	1.4
166.02211	2.2
175.02502	1.9
178.02736	10.9
179.03459	2.3
191.01990	8.8
191.05621	38.6
193.05055	63.1
194.05399	2.5
197.04517	2.1
209.02991	4.5
231.05110	3.1
239.05737	2.3
249.06154	100.0
250.06468	3.7
253.07199	5.1
265.07193	1.8
283.02383	1.7
341.08737	2.0
353.08804	4.7
404.76047	1.2
415.08743	51.8
416.08942	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	414.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37408	0.3
59.01376	6.0
61.98830	100.0
70.01331	0.3
71.01361	0.3
71.06555	0.5
72.36018	0.3
206.65720	0.3
220.93004	0.3
242.74463	0.3
269.77319	0.3
343.32217	0.3
438.57379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13454	0.6
55.50046	0.6
56.42370	0.5
57.03448	16.3
59.01379	17.3
61.98829	100.0
63.11860	0.6
69.44160	1.9
69.44583	2.7
71.01380	4.7
72.99323	1.4
73.02953	1.1
83.01394	1.2
85.02951	6.8
87.00892	0.8
88.98815	0.7
89.02467	2.7
96.96007	2.4
99.04516	16.9
101.02442	10.5
113.02477	1.5
125.02453	5.1
136.04076	1.1
143.03537	0.9
154.23492	0.6
161.04501	0.8
161.37978	0.6
191.01959	1.5
191.10812	1.8
207.08725	7.4
209.02992	0.9
235.09831	0.9
249.09914	2.6
270.59082	0.6
289.13013	1.9
351.12958	11.9
364.91650	0.7
401.17203	0.7
414.10611	0.8
415.16309	4.5
421.40512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98842	1.9
64.48908	1.8
98.19881	4.6
186.10637	1.8
196.23868	1.7
229.08623	2.3
336.65427	1.8
359.44754	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	1.5
61.98823	1.6
71.43356	1.2
113.07251	1.3
190.23318	1.3
232.41724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78891	0.4
57.43306	0.4
59.01379	100.0
60.01699	1.1
61.98837	2.0
69.49294	3.2
71.01380	3.2
73.02944	0.5
83.01385	0.6
84.88100	0.5
85.02950	1.5
89.02438	2.7
101.02441	2.4
113.02460	1.3
119.03526	1.7
126.84299	0.4
140.07442	0.4
143.03497	0.8
161.04633	1.5
166.07014	0.5
180.38898	0.5
197.36972	0.5
275.20197	1.5
327.19989	0.9
341.23273	1.4
353.19601	0.7
386.72531	0.5
414.23422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05008	2.3
57.02288	2.5
57.03434	6.7
59.01376	7.0
61.98833	26.6
71.01379	3.3
71.52445	2.9
73.02943	5.6
76.95269	2.2
88.98792	6.4
97.06592	8.1
98.03738	4.3
98.19949	2.6
99.08134	8.5
108.27164	2.3
111.08137	2.3
113.09667	3.8
115.07646	5.9
125.08830	5.0
125.09727	92.4
127.07655	21.8
129.09227	100.0
141.09213	57.8
142.09492	2.5
155.10715	3.3
167.10757	10.9
173.08154	6.0
191.10703	4.5
193.12286	4.6
199.13393	20.0
211.13339	3.0
247.20616	5.4
252.13647	5.8
252.43115	2.7
291.19717	13.8
323.22275	34.4
324.22598	4.9
328.20602	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96092	2.1
59.01371	5.6
61.98819	4.2
74.33766	2.1
75.00871	76.8
98.20076	11.5
99.87923	2.1
100.88794	2.3
103.00373	100.0
111.54216	2.6
161.72610	1.9
165.19572	2.4
168.98914	2.3
169.02460	2.2
172.55833	2.4
222.36963	2.1
229.07571	2.4
254.56570	2.0
256.38577	2.1
267.62283	1.9
309.20657	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	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.6
59.15363	1.7
59.45927	2.0
60.99321	14.4
61.98830	4.3
71.88453	1.7
85.62439	1.9
88.98810	100.0
97.06581	2.5
111.08157	2.0
123.08268	1.7
125.09714	12.2
127.07656	3.4
129.09236	18.9
141.09235	14.4
167.10783	3.0
178.01355	1.8
193.72452	2.0
199.13390	3.2
291.19775	3.9
323.22223	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	413.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64768	0.9
57.03434	2.9
59.01379	30.2
59.52371	1.0
61.98824	1.5
64.31518	0.8
69.65218	0.8
71.28108	1.2
76.18327	0.9
78.95923	1.9
79.95739	1.5
83.04999	0.8
85.02978	1.4
96.96007	100.0
99.04544	0.9
101.02450	0.8
102.95660	0.8
121.82600	0.8
125.09698	0.9
129.09247	0.9
160.19249	1.1
195.13928	5.2
211.17038	2.6
253.18137	1.4
255.15866	2.0
271.19141	3.9
273.17072	14.2
289.14706	2.3
291.12643	1.6
315.18152	3.4
333.19131	26.5
334.19519	3.2
351.14728	3.7
353.12695	4.0
366.75394	1.1
413.14838	96.3
414.15140	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36289	0.4
55.01885	1.3
57.03448	100.0
58.03781	1.2
59.01378	80.5
60.01711	0.8
61.98830	0.6
69.37784	3.3
71.01379	18.3
73.02941	7.0
78.48196	0.5
79.84972	0.5
81.03451	1.3
83.01394	4.5
85.02950	10.3
87.00882	0.8
89.02440	1.3
95.01377	1.3
96.96011	0.6
97.02980	0.7
97.47005	0.4
97.69769	0.4
98.19996	0.7
99.00883	2.7
99.04517	79.5
100.04875	2.5
101.02444	34.1
102.02773	0.6
113.02452	7.7
125.02448	26.6
126.02762	0.7
143.03493	2.5
159.02959	2.1
161.04559	9.1
269.10294	24.0
270.10553	1.2
311.11523	2.4
332.53650	0.5
351.14343	1.0
413.14420	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	99.4
58.03758	1.6
59.01378	80.3
61.98840	7.1
63.25540	0.9
71.01376	9.7
72.05747	1.0
73.02943	4.3
81.03450	3.3
83.01367	3.9
85.02946	9.8
88.98791	2.0
89.02460	1.6
95.01328	0.9
95.14769	1.0
96.96007	8.8
98.20770	2.0
99.00874	2.3
99.04516	100.0
100.04857	3.4
101.02444	26.3
110.91634	1.0
111.00846	2.3
112.05254	0.9
113.02434	5.0
115.94986	0.9
117.03459	1.2
118.09274	1.0
121.26304	0.9
125.02443	45.6
126.02833	1.4
134.03766	6.3
143.03436	2.9
161.04559	5.7
173.64561	0.9
193.05025	7.6
269.10239	12.5
311.11270	1.8
333.19104	3.2
352.38367	1.0
413.15131	6.1
414.14441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	17.7
59.01373	27.3
61.59620	6.0
61.98829	86.8
69.25790	56.1
71.01394	12.6
72.99303	8.5
78.95909	9.4
85.02948	100.0
88.98787	33.5
89.02468	7.3
90.62453	7.5
96.96010	55.6
99.04507	9.8
101.02409	15.4
114.11298	6.5
119.05029	12.5
130.46175	7.4
135.04523	14.1
143.03558	9.3
147.03046	8.3
163.03940	10.5
191.01962	49.1
204.53746	6.7
209.02979	20.3
215.44044	7.0
231.01118	14.1
350.39246	6.5
375.03421	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	413.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
58.00584	1.4
59.01376	9.6
60.97736	0.9
60.99310	15.4
67.33046	1.1
70.20360	2.8
70.20774	1.6
71.01385	5.7
72.38233	1.0
85.02943	4.1
88.98808	100.0
89.02425	5.0
96.95987	3.6
97.02251	0.9
98.20673	1.0
101.02439	3.6
104.98692	0.9
112.53915	1.0
113.02451	2.2
119.03488	2.4
121.15672	1.0
191.01849	1.1
191.03561	1.5
245.01407	1.1
292.13458	1.0
299.04880	1.0
323.13477	25.1
324.13647	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	411.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84035	1.5
53.08550	1.7
59.01379	100.0
61.20822	1.8
61.98809	1.7
71.14928	3.1
71.81400	1.5
162.39580	1.6
218.81131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75960	1.0
55.95161	1.1
59.01379	100.0
60.89804	1.1
61.98843	1.3
63.20158	1.1
71.51881	1.5
78.87966	1.1
82.18444	1.2
89.21545	1.1
90.65888	1.3
98.21593	1.1
152.73050	1.3
210.60049	1.1
290.11230	1.2
322.18228	1.2
385.44748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03448	1.2
58.00600	0.9
59.01378	100.0
60.01718	1.1
61.81631	0.3
61.98834	2.2
69.03457	0.8
69.40850	0.9
69.41268	1.0
71.01379	18.9
72.99306	1.1
73.02945	18.1
74.03271	0.3
75.00873	0.3
79.95739	1.8
81.43615	0.2
83.01389	5.1
85.02940	4.9
87.00885	0.7
89.02435	6.0
89.02945	0.5
95.01396	1.2
96.96005	14.6
97.02943	0.4
98.20671	0.5
99.00899	0.9
99.04472	0.3
101.02440	19.5
102.02749	0.3
113.02441	9.2
119.03494	2.2
121.06599	0.9
125.02425	0.3
131.03491	1.7
133.81110	0.3
137.09718	7.1
138.10097	0.4
140.26328	0.3
142.38898	0.3
143.03485	1.7
149.04572	0.9
155.03526	0.8
161.04553	3.4
161.39124	0.2
165.54820	0.3
179.05646	0.5
185.73370	0.3
189.12891	1.0
203.05598	0.4
213.05574	0.4
225.31610	0.3
229.90753	0.3
271.06320	0.3
411.07535	5.4
411.12686	0.4
411.20850	0.6
412.07755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91783	0.6
57.03449	1.5
58.00599	0.8
58.55410	0.5
59.01379	100.0
60.01700	0.7
61.98829	5.7
69.03465	0.8
71.01380	22.7
71.51858	0.9
72.99313	1.4
73.02943	18.1
75.00879	0.7
77.68211	0.6
78.95921	1.2
79.95747	0.6
81.03478	1.8
83.01379	6.7
83.05022	5.6
85.02955	4.7
87.00912	1.4
89.02434	7.8
95.01418	1.6
96.96008	9.1
98.95603	2.7
100.07700	0.7
101.02440	23.2
109.65118	0.6
113.02448	11.2
113.03168	0.8
119.03516	3.2
121.06586	0.8
125.02481	0.9
131.03502	1.8
134.03802	1.2
135.02985	1.0
137.09723	6.0
143.03531	1.4
143.38788	0.5
149.04581	0.7
153.01414	0.6
161.02484	1.4
161.04538	3.7
162.02335	1.0
179.05611	0.8
189.12836	0.9
199.18126	0.7
221.04169	0.5
243.17195	1.4
246.40752	0.6
275.73984	0.8
293.10535	0.9
356.71591	0.8
411.07684	2.6
411.15915	2.0
411.21509	1.2
411.27362	10.2
411.32516	0.7
411.77524	6.6
412.27393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	1.2
61.81631	0.4
61.98837	5.6
69.11979	0.6
69.54021	0.4
69.55740	1.0
69.56139	2.5
71.01376	4.1
73.02957	1.1
75.00832	0.5
78.95905	0.6
83.01408	0.7
85.02963	1.9
86.17793	0.5
89.02440	0.7
96.95980	0.6
99.00886	1.3
101.02437	2.8
111.87979	0.5
113.02474	1.8
143.03520	0.6
152.99586	0.7
161.04500	2.5
351.18198	0.9
411.20245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03451	0.6
59.01380	100.0
60.01719	1.2
61.98838	1.4
62.20383	0.3
69.29237	0.4
70.77532	1.0
71.01378	6.4
71.01740	0.6
72.99319	0.4
73.02966	1.7
75.00874	0.8
78.95900	0.7
83.01376	0.6
85.02959	2.1
89.02471	1.1
96.96042	0.5
98.20376	0.7
99.00887	1.0
101.02436	3.6
113.02454	2.6
141.93715	0.3
143.03557	0.4
159.03014	0.6
161.04562	4.0
170.05431	0.3
172.13701	0.3
184.67075	0.4
189.12935	0.7
205.16145	0.5
210.69936	0.3
250.23769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85493	2.3
59.01381	11.7
61.98836	34.8
70.79165	2.9
70.79507	4.2
71.01389	5.3
72.02169	2.5
75.00874	94.1
77.02428	1.8
95.05004	3.0
95.77237	1.8
97.06594	3.2
103.00374	100.0
104.43368	2.0
123.04482	2.6
123.08128	2.4
125.06173	3.3
125.09722	12.5
127.07653	9.5
135.08224	1.9
139.07657	9.0
141.05540	5.3
159.13293	2.3
163.07617	3.4
179.07133	2.9
180.78146	2.4
189.18335	2.0
207.10327	2.5
214.04153	2.1
221.08195	3.8
225.11356	3.3
226.83861	2.2
252.13699	8.9
289.18106	5.8
307.19104	6.3
321.20688	3.1
335.18579	5.7
339.21600	2.6
361.16718	3.0
375.18152	2.3
379.13068	3.2
379.17310	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	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05844	4.6
61.61323	5.2
68.52969	4.9
70.07241	20.6
71.01398	31.7
72.02161	23.4
84.02159	6.3
85.02937	13.5
88.90141	4.6
97.06566	11.4
98.03728	5.8
99.08147	16.6
109.06553	8.7
111.08173	6.3
112.39778	5.0
113.02487	8.2
123.08108	6.6
125.06114	7.7
125.09721	91.7
126.10035	6.3
127.07648	100.0
139.07640	86.1
153.90860	4.7
167.10739	17.5
199.13350	19.7
235.09480	4.7
252.13661	88.9
253.14058	6.1
268.13086	18.2
289.18085	19.0
320.66388	5.2
321.20731	30.8
339.21765	7.9
374.04721	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	411.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09919	0.3
55.09021	0.2
55.39037	0.3
57.03452	0.3
59.01379	18.8
61.98832	2.0
69.61073	0.3
71.01384	3.0
71.53108	0.5
73.02956	1.0
79.95749	1.7
81.65078	0.3
83.01382	0.3
85.02961	1.5
89.02451	1.7
96.96010	100.0
97.95922	0.3
99.00900	0.4
101.02438	2.7
106.92940	0.3
110.97562	1.7
111.08182	0.3
113.02453	0.7
114.35822	0.3
119.03482	0.9
126.90436	0.3
161.04591	0.4
231.13835	2.0
237.18651	1.4
239.16502	1.8
249.15007	0.3
255.19614	1.1
257.17636	1.5
271.19028	0.4
274.06146	0.3
281.17340	0.4
302.90060	0.3
311.43033	0.3
331.21262	3.2
332.21487	0.6
349.16840	6.7
350.17059	0.7
351.14761	5.0
352.15030	0.7
411.16675	64.8
412.16940	5.8
412.21201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00400	0.1
54.86898	0.1
57.32993	0.1
59.01378	2.5
61.98833	0.9
70.91746	0.3
70.92073	0.3
71.01361	0.3
73.02945	0.4
79.95734	12.3
85.02937	0.3
85.22764	0.1
89.02396	0.2
96.96008	100.0
97.42320	0.1
97.95931	0.3
98.20345	0.2
101.02471	0.4
110.97585	0.6
113.02431	0.2
119.03472	0.2
136.01685	0.2
137.02386	0.3
141.95757	0.3
151.04013	1.0
227.03456	0.2
230.99698	0.3
239.03496	0.3
243.06621	0.3
253.04852	0.2
256.03815	0.7
271.06100	3.8
272.06543	0.4
286.08469	1.7
287.08997	0.2
301.11041	0.2
316.09570	0.2
381.02594	0.2
396.05450	0.8
405.01816	0.2
411.07523	37.9
412.07834	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	411.127
Annotation	t(6)a
Peak:m/z	Relative Intensity
57.03436	2.0
59.01385	2.5
61.98830	2.4
65.47274	0.6
65.71792	0.6
71.01377	2.6
72.00911	27.5
72.99297	1.1
74.02470	15.1
83.01395	0.9
85.02952	9.4
86.03288	1.3
87.00901	0.8
87.03342	0.6
88.98830	1.1
89.02469	0.9
96.95989	1.5
100.00408	34.7
100.04020	3.0
109.87981	0.6
116.92898	0.8
118.05104	100.0
119.05441	1.9
129.01955	1.7
130.17325	0.6
134.04723	1.3
135.04564	0.8
144.03032	37.2
145.03282	1.0
147.02971	2.1
160.02641	4.7
190.63478	0.5
191.01997	1.9
193.02434	1.2
209.03001	1.8
236.70206	0.5
260.37506	0.6
289.31384	0.6
373.06622	0.8
411.13577	1.7
435.78204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0239
Annotation	Turgorin
Peak:m/z	Relative Intensity
57.03437	0.8
59.01379	2.4
60.99276	0.4
66.61491	0.4
71.01385	4.5
71.07265	0.6
71.07607	0.7
72.99303	0.9
73.02947	0.6
75.00871	0.6
79.95739	3.0
80.96508	3.8
83.54085	0.3
85.02952	3.7
87.00878	1.9
88.98808	1.5
89.02441	1.0
95.95253	0.6
96.96011	100.0
97.02943	0.9
99.00928	0.6
101.02448	1.6
108.89488	0.4
113.02466	1.1
122.97605	0.6
125.02443	13.5
129.01884	0.4
131.02325	0.4
138.97079	10.5
143.03474	0.5
147.02953	0.9
149.37674	0.4
150.97073	1.5
161.04544	0.6
162.20236	0.4
164.98631	1.1
168.98207	1.2
169.01422	22.2
170.01765	0.5
180.98167	0.8
183.93005	0.4
187.85052	0.4
191.01961	0.9
222.99123	2.4
241.00229	61.3
242.00584	2.7
248.98741	0.4
249.09927	0.5
277.08249	0.5
301.14499	0.4
331.06903	2.3
411.02328	52.8
412.02698	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94574	0.7
56.97891	0.6
57.03446	1.6
59.01381	100.0
60.01706	1.4
61.98833	14.7
69.70123	3.2
71.01373	3.7
73.02948	1.6
75.00898	0.6
83.01385	1.4
85.02956	6.2
89.02470	0.7
96.96021	1.7
98.20134	2.4
101.02454	2.9
113.02480	3.0
135.04568	1.1
151.56114	0.7
154.16771	0.7
161.04611	2.1
187.13396	13.1
188.13800	0.9
191.02063	0.9
244.47707	0.8
289.16739	1.1
300.89648	0.6
307.17554	5.1
326.15790	0.7
349.18649	5.1
409.19556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2359
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
56.54650	0.3
71.40366	0.4
78.95904	64.4
93.61436	0.3
96.96964	4.4
103.59996	0.3
109.92464	0.3
150.98004	1.4
152.99585	100.0
153.36195	0.3
153.99895	1.8
164.37218	0.3
171.00670	2.4
206.98183	0.3
218.88286	0.3
239.94043	0.3
255.23366	2.2
409.23593	22.1
410.23972	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	410.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04039	0.4
59.01382	0.8
61.98832	100.0
69.75292	0.8
69.75683	1.4
72.32404	0.4
79.37979	0.4
93.90498	0.4
96.17813	0.4
99.92580	0.6
102.86841	0.4
118.89996	0.7
166.61545	0.4
213.98889	0.5
229.19122	0.4
244.37027	0.4
292.20041	0.4
410.09738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68998	0.7
59.01366	1.5
61.98829	100.0
64.65613	0.7
82.22575	0.7
82.38149	0.7
93.87241	0.7
97.45541	0.7
99.92600	2.5
100.92592	1.6
105.74210	0.7
115.92101	2.3
116.92118	1.5
116.92889	2.5
117.92882	2.2
150.83003	0.8
161.17253	0.8
182.58467	0.7
211.75673	0.7
225.16568	0.7
228.97156	0.7
239.32434	0.7
374.11450	2.3
398.09006	0.7
410.14243	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56396	0.8
55.01887	1.0
57.03448	8.4
58.07526	0.9
58.87225	1.0
59.01379	100.0
60.01700	1.3
61.98822	2.9
62.96115	0.8
70.83666	2.3
71.01381	18.0
72.99310	2.1
73.02945	5.7
75.00864	1.6
80.96516	1.0
83.01378	2.3
85.02948	12.2
87.00864	2.0
89.02450	12.8
90.85028	0.9
95.01394	1.4
96.96004	2.8
98.20140	1.3
99.00877	2.4
99.04518	3.8
99.92528	1.2
101.02442	16.2
111.00854	1.5
113.02445	8.7
115.92005	1.8
116.92863	2.1
119.03507	4.5
125.02425	3.2
129.01917	1.7
143.03497	2.3
147.03014	0.9
148.62778	1.1
150.03194	1.6
159.04504	1.3
161.04553	8.7
165.05577	1.3
179.05624	4.3
187.13210	0.9
191.01999	1.4
195.06636	1.0
206.26686	1.1
209.03055	1.5
248.16443	1.0
265.12811	3.5
266.68860	1.0
305.16046	25.9
306.16357	1.4
331.17578	2.9
349.18713	6.1
400.10764	0.9
409.11066	1.4
409.15826	1.3
409.20587	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	409.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45572	3.0
54.48714	3.1
59.01371	13.6
61.98829	100.0
62.77200	3.9
71.51900	3.9
78.95887	4.2
83.01373	4.9
85.02906	3.1
86.78065	3.3
96.96014	6.5
97.06589	13.0
106.96943	3.3
114.16030	3.2
115.92049	6.5
116.92823	6.2
125.09698	3.8
134.10367	3.3
135.08173	11.4
143.97931	2.9
153.09201	12.6
162.20776	3.5
170.51050	3.5
176.21507	3.4
191.10745	7.9
209.11823	11.2
223.13368	8.4
241.14450	9.8
268.13150	6.9
337.20206	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30791	0.6
55.01878	1.2
57.03454	6.0
57.98897	0.7
59.01377	100.0
61.98830	3.8
71.01380	22.6
71.51794	1.0
71.52181	0.6
72.99315	1.4
73.02939	5.7
75.00877	1.2
83.01377	3.5
83.04998	0.6
85.02953	10.6
87.00887	2.4
88.98801	0.8
89.02441	13.2
89.02951	1.0
95.01393	2.0
96.96021	1.9
97.02954	0.6
99.00870	3.0
99.04539	3.3
101.02441	17.2
101.90742	0.6
113.02443	9.6
119.03509	4.5
121.02973	0.8
125.02461	2.1
125.19784	0.7
128.78130	0.7
129.01981	1.2
135.04601	0.8
137.02451	0.7
143.03508	1.3
147.02983	0.9
149.02502	0.7
150.03249	1.6
159.03043	2.1
159.04492	1.4
161.02473	1.1
161.04550	10.3
162.04941	0.9
165.05612	2.5
176.03545	0.7
179.05582	4.1
191.02017	1.5
195.06561	1.3
205.14490	0.8
209.03090	0.8
239.05722	0.8
265.12909	1.9
305.16049	36.4
306.07831	1.4
306.16452	1.9
325.53308	0.8
331.17709	5.1
332.18130	0.7
349.18558	4.6
350.06851	1.4
361.12982	1.1
365.72275	0.7
367.19849	1.5
409.11377	1.1
409.16397	1.0
409.21313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
56.89536	0.9
57.03447	70.6
57.58198	0.9
58.00581	1.0
58.03768	1.2
59.01377	100.0
60.01709	1.8
61.98827	12.5
67.53793	0.9
69.03453	1.4
69.52193	3.0
69.52598	2.5
71.01379	31.2
72.99306	2.2
73.02947	5.8
74.99084	1.2
75.00851	2.4
75.55161	0.8
78.91880	2.9
81.03464	1.4
83.01376	4.5
83.05009	4.8
85.02946	26.6
86.03270	0.8
87.00886	2.3
88.98792	1.1
89.02449	15.5
95.01382	2.2
96.95981	3.0
99.00860	3.5
99.04516	58.8
100.04841	2.5
101.02435	34.7
101.03111	1.4
102.02746	1.2
108.46710	0.8
111.00855	1.6
113.02436	15.0
118.67175	1.0
119.03504	5.3
121.02916	1.4
125.02448	20.6
129.01888	2.3
135.04533	1.3
137.02451	1.0
141.09145	1.0
143.03479	4.7
147.03018	1.3
153.05496	1.0
159.02991	1.6
159.06558	0.9
159.10292	1.5
161.04546	11.0
177.19495	0.8
179.05669	0.9
185.08150	1.3
191.01950	5.1
197.04485	1.2
205.14311	1.1
209.02951	1.1
233.06668	2.8
237.27979	0.9
245.95299	1.7
247.11859	1.4
249.06174	3.0
265.12900	26.3
266.13132	1.2
307.13959	7.4
347.17184	1.3
349.18625	12.4
350.18854	1.1
367.19720	2.5
409.12659	3.7
409.17261	8.2
410.17203	1.7
414.18497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
59.01379	95.8
71.01377	19.9
72.99325	1.5
73.02941	7.2
76.66264	1.3
81.03419	1.9
83.01375	3.6
85.02949	14.3
89.02443	2.9
95.01385	1.6
99.00877	2.6
99.04515	96.1
100.04874	2.2
101.02438	38.2
113.02440	6.9
117.99133	1.3
119.03502	2.7
125.02441	29.6
133.70892	1.6
143.03468	4.0
161.04529	9.2
238.86905	1.4
265.12900	33.9
266.13403	2.3
307.14066	8.7
347.16861	1.9
409.17102	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	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92057	1.3
55.01868	3.2
57.03449	88.8
59.01377	100.0
61.98829	17.3
71.01382	24.9
72.01731	1.8
72.99308	3.1
73.02940	11.8
74.70181	1.6
75.00875	1.8
79.95738	1.6
80.91673	1.5
83.01383	6.0
85.02946	25.2
86.03336	1.5
87.00883	4.4
89.02456	10.2
94.72500	1.6
96.96024	3.1
99.00848	4.5
99.04515	78.4
99.56326	1.7
100.04809	2.3
101.02445	37.5
102.98161	2.9
113.02458	10.8
115.07635	4.9
119.03445	2.7
119.04994	2.3
120.13287	1.7
125.02448	22.1
129.01927	3.4
143.03439	2.7
145.02924	2.5
161.04562	8.6
191.01936	4.1
209.02960	2.6
242.10577	2.6
257.12964	17.8
265.12909	31.0
266.13159	2.4
293.08401	1.8
301.11887	6.1
307.13766	2.4
347.17236	2.8
349.18643	8.9
373.11133	5.0
409.11392	2.0
409.16632	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	409.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.14616	0.7
61.98833	16.3
96.96024	1.0
99.48454	0.8
99.92583	54.8
100.92606	2.3
100.93352	3.2
113.27507	0.8
113.86038	0.9
115.92076	74.0
116.92195	4.3
116.92860	100.0
117.92865	5.3
169.93132	0.8
186.02522	0.8
227.00073	0.9
230.99634	1.7
322.05029	0.9
361.11142	1.2
373.11108	16.7
374.11404	2.6
387.09015	5.5
388.09250	1.1
391.12234	10.4
392.12643	1.1
405.10101	3.7
409.13245	48.0
410.13577	7.8
419.08005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01385	4.4
61.98823	0.6
64.56307	0.6
69.31262	0.9
69.31660	4.8
70.09721	0.6
71.01376	2.5
72.99313	1.4
73.02935	1.5
79.95730	3.6
80.96510	1.7
83.01369	0.7
83.78593	0.7
85.02947	9.3
87.92503	0.8
88.98843	0.7
89.02436	1.5
96.96012	100.0
98.20651	1.2
99.00882	7.9
99.92590	0.8
101.02420	3.1
103.92017	1.5
104.92845	1.4
108.02168	3.1
113.02441	0.7
114.94881	1.0
115.92073	5.1
116.01797	0.8
122.97565	1.1
123.04473	1.5
125.02468	0.7
129.01938	1.1
131.03537	4.0
135.04532	1.3
138.97081	1.1
147.02991	1.8
152.01152	7.2
152.98628	7.9
156.99083	1.0
165.25281	0.6
167.03506	11.0
179.03500	1.0
180.98079	1.9
191.01981	3.6
209.03082	1.0
241.00232	67.5
242.00616	3.0
246.98616	3.0
260.97330	0.7
280.95844	0.7
347.04279	1.4
386.78326	0.7
409.04449	34.3
410.04721	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	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71905	1.0
59.01380	4.4
61.98831	100.0
62.02367	0.8
64.63498	0.9
71.21384	1.4
85.24517	1.0
88.76746	0.8
93.12540	0.9
95.21488	0.8
112.18952	1.0
194.65019	1.3
218.06775	0.9
279.72192	0.8
291.19769	1.0
309.20670	2.8
407.69400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0232
Annotation	Ombuin 3-O-sulfate
Peak:m/z	Relative Intensity
52.95432	0.7
57.05136	0.9
58.58039	0.8
59.01384	9.4
61.98839	4.8
71.01369	2.2
71.52956	1.2
72.99287	1.3
78.95902	4.9
79.95738	3.6
80.96515	1.0
85.02943	2.0
96.96025	5.2
98.95590	2.7
98.96436	0.7
101.02422	2.3
120.76003	0.8
121.02971	1.4
123.97154	0.8
135.98370	2.1
138.89494	0.8
176.01089	0.7
199.04106	1.2
201.01962	0.9
215.03377	1.2
227.03435	1.7
242.02228	4.3
243.02972	25.4
244.03214	1.7
257.04559	8.8
270.01697	5.1
271.02463	29.1
272.02817	2.5
285.04047	18.0
286.04749	4.9
299.01947	11.7
300.02206	1.3
314.04312	53.8
315.04721	4.4
315.07877	0.8
329.06650	100.0
330.07022	10.1
355.46320	0.9
368.27817	0.7
408.17676	1.3
409.02319	15.4
409.18036	5.6
409.26596	3.8
410.02591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49761	0.4
57.69465	0.4
61.98830	100.0
70.36548	1.2
77.69077	0.3
80.78411	0.3
83.43867	0.3
97.05544	0.3
106.91909	0.3
129.61832	0.3
140.24600	0.3
166.63025	0.3
233.92685	0.4
397.53766	0.4
405.05704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90923	0.5
61.98830	100.0
62.23679	0.4
63.81861	0.5
71.28502	0.8
85.88750	0.4
108.72073	0.4
111.93902	0.4
128.79172	0.4
226.07584	0.4
228.55089	0.4
309.20792	0.5
401.44583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78275	0.4
59.19766	0.4
61.98829	100.0
63.62805	0.4
71.51040	0.5
71.51354	0.5
85.83016	0.3
92.54602	0.4
97.96351	0.4
110.72150	0.4
115.82106	0.4
142.47113	0.4
161.16631	0.4
226.00104	0.4
244.93027	0.4
247.22075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
61.98829	100.0
69.65755	5.4
84.03085	0.8
86.59385	1.0
98.20204	2.7
115.92012	0.9
121.53170	1.0
126.90524	6.0
152.99539	1.2
191.33038	0.9
333.48386	0.9
335.55392	1.0
376.19681	0.9
380.82330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.2
61.98830	100.0
78.95923	1.6
99.92587	4.7
109.43456	0.7
115.92062	5.5
116.92870	10.0
143.14197	0.8
144.48259	0.9
373.11353	1.9
383.07184	1.0
391.12305	0.9
409.13162	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	408.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42968	0.7
56.78114	0.6
59.01391	1.8
61.98829	100.0
65.30874	0.8
69.71854	1.5
69.72257	3.1
78.95935	1.8
98.20085	1.2
98.20609	0.9
99.92571	4.6
115.92101	4.7
116.92863	8.7
129.57564	0.9
218.28830	0.7
245.05342	0.7
260.95364	0.8
373.11148	1.7
391.12231	1.3
409.13278	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	408.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37565	2.2
56.98015	3.1
58.02975	11.2
58.99579	4.0
59.01363	5.3
69.39561	14.1
69.39980	4.8
71.01366	8.5
72.99297	5.3
74.00675	2.8
74.02465	24.6
82.02984	5.2
84.24936	2.3
85.02969	14.4
85.04066	4.2
86.02489	17.4
86.03271	2.1
87.05650	2.9
89.02426	2.5
96.96000	17.2
96.96961	2.8
97.04058	15.8
98.20653	4.4
99.05641	16.5
100.00404	5.3
102.00140	4.9
102.05588	3.1
103.00346	3.0
103.92029	3.0
105.99673	9.7
109.04089	2.5
112.04015	2.5
114.00163	5.3
115.19329	2.0
116.01785	2.9
123.05531	2.4
125.03546	3.2
127.05105	4.8
128.03540	100.0
129.01888	2.4
134.79385	1.9
135.04614	3.7
135.05656	8.3
139.10010	2.0
140.07153	2.0
143.04619	96.0
144.04938	2.9
145.06210	5.0
146.04573	8.8
147.03047	2.9
151.05083	3.6
153.06647	8.6
154.07176	2.7
156.99054	5.4
160.00711	7.1
166.09813	2.7
167.04639	3.8
167.08223	4.0
170.03284	2.6
175.01778	11.0
179.04655	18.4
181.06102	2.6
185.03902	3.9
185.05626	3.4
191.02000	5.1
192.07552	2.0
197.05667	10.7
210.08885	18.6
216.95813	2.7
226.08215	4.4
232.95341	3.7
246.98534	12.9
247.93840	2.2
254.07805	51.1
262.07382	2.6
272.08890	77.9
273.09055	5.8
286.05017	4.1
304.06061	63.3
305.06375	6.0
306.05783	4.5
321.06320	3.7
322.07108	3.1
389.83832	2.7
390.13403	4.8
408.14438	29.5
409.14658	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	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79234	0.8
52.61631	0.8
55.01878	1.9
57.03448	100.0
58.00583	0.9
58.03791	1.5
59.01377	88.8
59.79205	0.7
61.98826	3.7
70.53045	1.4
70.53411	2.0
71.01386	15.8
72.99311	1.8
73.02948	6.4
81.03472	0.9
83.01394	3.2
85.02948	10.9
87.00881	8.2
89.02444	2.7
95.01382	1.6
95.87195	0.8
97.06613	0.8
99.00887	2.9
99.04519	79.3
100.04839	1.9
101.02445	37.2
102.02802	0.9
103.00373	3.4
105.03471	2.3
112.98801	8.3
113.02462	8.5
117.03412	1.3
119.03496	2.0
125.02444	19.2
125.27028	0.9
133.02943	9.5
134.03746	21.2
135.04491	3.4
137.02452	2.3
143.03500	2.3
159.03020	0.8
161.02437	2.5
161.04526	6.5
162.03212	13.4
165.09148	0.9
170.53963	0.9
177.01926	5.3
178.02670	5.7
185.11806	1.3
187.07599	1.0
209.08273	4.3
231.10262	12.5
263.14969	29.9
264.15240	2.7
275.09222	47.5
276.09616	3.4
305.15945	4.5
337.08633	1.0
347.20749	1.8
368.35757	0.9
371.13022	0.9
407.09555	1.5
407.18594	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	407.1923
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.01852	0.7
57.03452	3.0
58.00588	2.1
59.01379	49.4
61.98830	1.6
70.89041	0.8
71.01382	23.8
72.99304	1.7
73.02942	1.4
83.01374	1.7
85.02952	6.7
89.02444	20.1
95.01367	2.3
96.95966	0.8
97.06573	0.7
99.00870	1.0
99.04525	0.9
100.45763	0.5
101.01803	0.9
101.02447	15.0
101.06081	1.5
102.02737	0.7
108.93860	0.6
111.08153	1.4
113.02459	8.2
119.03497	6.6
125.02415	0.8
126.90529	0.5
127.91424	0.5
129.09715	0.4
131.03534	0.7
137.87404	0.5
139.94096	0.5
143.03494	1.1
143.93970	0.5
159.04489	1.0
161.04582	1.2
165.12851	8.7
167.38193	0.5
167.74646	0.4
171.10278	1.7
179.05649	1.2
183.13887	14.5
184.14122	0.6
185.11826	4.4
201.14783	0.6
209.11812	7.0
227.12869	33.2
227.69391	0.5
228.13220	2.1
245.04552	0.5
245.13872	5.0
389.18228	0.8
393.87787	0.6
407.19205	100.0
408.19507	11.0
415.44946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
56.79143	0.7
57.03450	100.0
58.00597	0.7
58.03782	2.0
59.01381	78.2
60.01708	1.1
61.98829	6.2
71.01382	13.9
71.15305	1.4
72.99297	1.5
73.02944	5.9
73.82137	0.6
81.03474	1.3
83.01381	4.4
85.02946	9.3
87.00877	5.7
87.04523	0.7
89.02451	1.3
96.61954	0.6
96.96008	1.3
97.06594	0.6
99.00884	3.7
99.04520	76.5
100.04856	1.7
101.02442	39.0
102.02824	1.3
103.00401	2.7
112.98804	5.9
113.02455	5.6
114.96524	0.7
125.02443	24.0
125.03324	1.3
129.02000	1.0
133.02948	3.8
134.03745	17.2
135.04477	1.7
137.02455	1.3
139.04025	0.9
143.03546	2.3
145.02942	1.5
159.02989	0.7
161.02464	3.7
161.04515	6.6
162.03242	14.5
163.03612	0.8
171.10252	1.6
177.01978	2.9
178.01381	0.7
178.02768	3.1
192.99699	1.1
197.04643	1.1
231.10315	2.5
244.09872	0.9
245.10280	2.0
263.14984	26.6
264.15469	1.2
275.09256	34.3
276.09723	2.7
305.16187	2.3
319.02704	0.9
345.19293	1.4
407.09903	1.1
407.18997	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94656	0.5
57.03455	1.0
58.23923	0.5
59.01378	100.0
59.40838	0.5
60.01702	1.0
61.98830	4.6
63.96235	0.7
69.37869	3.7
71.01379	5.0
72.99314	0.8
73.02946	1.7
74.99121	1.3
75.00872	1.3
79.95754	0.6
83.01385	0.6
85.02950	4.7
87.00890	1.7
89.02459	1.7
94.71122	0.5
96.96022	4.2
98.20718	1.0
99.00919	0.7
99.04530	0.6
99.92587	0.5
101.02464	2.8
113.02465	1.7
119.03484	0.6
121.03036	0.5
125.53633	0.4
126.90530	0.5
129.01929	0.9
135.98352	0.6
141.57167	0.5
143.03549	0.5
143.10822	0.8
161.04588	2.0
171.10292	1.8
185.11877	0.8
191.02130	0.8
281.13889	0.5
287.15204	0.5
305.16043	2.4
347.17181	2.8
407.09406	0.7
407.18195	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	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02259	0.6
55.01886	1.1
57.03450	100.0
58.03783	1.5
59.01381	80.5
60.01711	1.2
61.98823	4.3
69.43614	5.4
71.01382	21.1
71.18901	0.7
72.99316	1.3
73.02947	6.5
75.00904	0.9
81.03481	2.1
83.01392	3.4
85.02957	10.6
87.00896	1.0
89.02451	6.5
95.01408	2.4
96.95998	0.8
98.20021	1.6
98.20670	1.3
99.00885	3.5
99.04519	81.0
100.04869	2.3
101.02443	35.0
111.93996	0.7
113.02457	11.6
119.03522	3.0
125.02451	19.1
125.03345	1.3
126.02858	0.7
129.01952	0.7
135.04602	1.3
143.03560	2.3
159.03020	2.1
161.04559	8.6
171.10356	1.0
239.61330	0.7
247.39046	0.6
258.99762	0.7
263.14975	27.6
264.15503	1.5
268.62949	0.8
305.16238	2.6
325.67630	0.8
345.18967	1.5
407.18631	7.9
407.23877	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	407.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90710	6.8
56.18501	5.4
57.03452	57.7
59.01382	100.0
61.98837	29.7
63.43425	5.0
70.81644	11.6
71.01360	20.8
73.02933	14.5
83.01389	6.3
85.02927	25.1
87.00873	6.2
88.98788	10.8
89.02453	9.1
89.49588	5.4
99.04517	39.3
101.02410	27.4
113.02445	9.7
125.02409	17.0
139.71838	5.9
149.02365	9.3
161.04547	10.2
165.05507	9.6
171.10257	32.1
185.06044	11.4
207.28706	6.0
216.44980	5.9
263.14899	15.2
309.22882	7.0
359.14630	6.9
407.18332	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03449	100.0
58.03782	1.2
59.01380	74.4
61.98840	3.7
68.47061	0.7
70.83559	1.9
71.01382	14.4
72.99320	1.3
73.02956	4.7
73.32229	0.7
78.95895	4.7
81.03475	1.3
83.01386	4.6
83.82769	0.7
85.02944	8.4
86.00082	1.1
87.00883	4.0
89.02466	1.0
89.03963	1.4
95.01414	1.4
96.96023	0.9
96.96992	1.0
99.00907	2.9
99.04520	72.8
100.04868	2.6
101.02446	36.2
102.02771	0.8
103.00362	1.2
112.98840	2.6
113.02473	5.7
117.03481	6.2
125.02447	18.8
133.02942	1.2
134.03740	8.4
135.04538	4.0
143.03493	1.5
149.00911	2.5
159.02991	1.1
161.02466	1.5
161.04520	4.2
162.03249	6.4
177.01935	1.5
178.02682	3.1
223.39197	0.8
263.14960	27.6
264.15372	1.8
275.09253	20.5
276.09595	1.7
305.15994	2.1
345.19299	1.2
407.18982	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	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	0.7
55.01871	1.3
57.03447	56.8
59.01378	100.0
59.64733	0.7
60.01712	0.8
61.98831	3.0
63.23686	0.7
70.25902	2.8
71.01381	20.2
72.99310	2.3
73.02953	6.5
75.00877	0.8
81.03462	1.3
82.51479	0.7
83.01406	2.9
85.02946	16.1
86.00077	1.7
87.00871	5.6
87.04533	1.1
89.02447	6.6
95.01405	2.0
96.41908	0.8
96.96005	5.1
97.02952	1.1
98.20561	1.2
99.00878	2.5
99.04519	56.6
100.04876	1.4
101.02442	22.5
101.29288	0.6
109.02950	0.9
111.00882	1.5
112.98895	0.9
113.02441	8.8
116.92863	1.3
117.97337	0.7
119.03537	2.2
125.02443	23.3
126.02830	0.9
129.01958	1.5
135.04567	0.9
135.98392	2.9
136.99118	0.8
143.03511	2.0
143.52518	0.7
147.02983	1.4
149.00908	1.2
151.00368	1.1
159.03043	1.6
159.04514	2.4
161.02440	1.0
161.04555	10.2
170.64342	0.7
171.10330	1.9
173.06041	1.1
173.08170	4.2
187.07668	4.3
191.02002	2.5
200.12515	0.6
209.03087	2.9
227.13065	0.7
231.10300	2.3
243.03984	1.1
244.04910	0.7
245.04366	0.8
245.10327	3.3
258.06555	0.9
259.07278	2.2
263.11359	16.1
264.11823	1.5
271.07361	1.2
275.09250	10.8
276.09650	1.5
287.10461	3.2
305.12366	5.4
313.08243	4.8
331.09439	2.2
345.11057	0.9
345.15707	0.9
347.17227	2.0
375.08551	1.2
407.11172	4.5
407.15045	1.4
407.19806	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	407.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41392	0.6
55.01861	2.0
55.77512	0.6
57.03449	21.4
59.01378	31.5
60.75664	0.6
61.98832	3.8
66.94337	0.6
68.99812	0.8
71.01385	12.9
71.50729	0.6
72.99301	5.9
73.02937	2.1
75.00890	3.8
79.95746	0.7
81.03445	0.7
83.01385	4.0
84.02162	2.9
85.02948	100.0
86.03276	2.4
87.00870	2.6
89.02453	5.3
96.96004	4.9
99.00867	1.5
99.04523	8.9
99.92570	1.1
101.02449	6.1
103.00375	2.0
111.00874	6.9
113.02479	3.6
115.00394	1.8
116.05048	6.1
116.92848	2.8
117.01908	0.8
118.03979	0.7
119.03502	1.9
119.04958	0.8
123.04479	1.0
125.02435	2.8
128.05089	0.9
129.01938	17.2
133.01408	0.9
134.03755	1.2
135.04515	12.7
135.98387	1.1
147.02995	23.3
150.03271	0.7
151.03992	1.0
158.06108	5.4
161.02460	1.4
161.04539	2.4
161.05907	0.6
171.00436	0.8
173.00891	2.8
179.03448	4.1
179.05627	1.2
184.07625	1.1
191.01971	40.0
192.02319	1.1
201.01741	1.6
209.03032	14.6
241.00201	2.8
242.95982	4.1
245.04486	1.2
246.07814	0.7
261.00186	2.1
263.11203	1.3
266.54382	0.7
287.05606	0.8
320.55908	0.6
335.11954	0.7
347.17084	1.8
353.05057	1.7
371.06146	9.1
372.06769	1.2
407.03802	2.0
407.19464	1.5
408.13034	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	407.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21761	0.7
55.01869	2.3
57.03449	11.7
59.01380	9.0
61.98814	2.3
65.87188	0.8
69.59514	3.5
69.59927	1.0
69.80799	0.8
71.01379	5.3
72.99289	2.9
73.02946	1.2
75.00867	3.4
80.81530	0.7
83.01392	2.8
84.02164	3.2
85.02949	100.0
86.03284	3.2
87.00883	1.7
88.98798	1.9
89.02454	1.6
96.96014	19.0
101.02437	2.4
103.00368	1.5
107.05031	2.6
111.00877	4.5
113.02453	1.4
115.00389	1.3
116.01779	1.2
121.02905	1.4
129.01938	9.9
134.03757	2.1
135.04527	19.3
136.04816	0.8
147.02997	24.6
149.25938	0.7
161.02522	0.9
167.24687	0.7
173.00928	2.4
179.03488	4.3
191.01985	39.7
192.02370	1.3
197.04446	0.8
209.03076	6.5
215.01190	6.7
238.83136	0.7
309.11905	1.8
325.93381	0.7
371.06137	3.5
407.03561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03449	15.8
59.01382	7.5
61.98811	0.6
68.99809	1.1
69.79500	2.4
71.01384	3.0
72.99306	2.2
73.02982	0.8
75.00868	1.9
83.01383	2.4
84.02159	2.9
85.02953	100.0
86.03286	1.9
87.00872	1.9
87.63332	0.6
96.96023	1.4
98.20199	1.3
99.00879	0.9
101.02435	0.8
103.00365	1.8
111.00881	3.3
125.02460	0.6
129.01950	16.9
134.03712	0.6
135.04532	10.5
141.43237	0.6
141.45895	0.5
147.03004	21.3
173.00897	2.4
179.03496	3.8
181.91318	0.5
191.01978	36.3
192.02290	1.2
192.31021	0.5
204.02454	0.6
209.03004	1.5
241.00270	0.7
350.44464	0.6
353.05045	1.5
371.01584	1.0
371.06180	13.3
372.06491	1.2
407.03647	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	406.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
61.98831	100.0
71.01379	1.0
77.31138	0.7
85.02945	1.1
86.88273	0.6
90.43761	0.6
96.96026	1.7
98.19928	1.5
98.20610	2.4
116.92928	0.9
143.82526	0.7
171.10280	3.2
298.50211	0.7
299.75119	0.7
407.17612	1.7
418.04697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76454	0.4
55.79641	0.4
59.01377	1.5
61.98829	100.0
71.41624	0.7
79.95758	0.5
82.81380	0.4
99.92587	3.6
100.92562	0.5
101.83248	0.4
103.79078	0.4
115.92097	1.5
116.92866	1.8
171.10320	0.7
232.58774	0.4
371.09451	0.5
388.09116	0.5
430.88953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
61.98829	100.0
69.69484	2.7
79.95742	1.3
83.83178	0.5
96.96004	0.9
125.64159	0.4
139.02855	0.4
171.81992	0.5
209.11952	0.6
261.07623	0.5
327.22012	0.5
406.40366	0.5
407.17651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55844	0.4
53.45479	0.4
56.44819	0.5
59.01387	0.6
61.98830	100.0
63.17688	0.5
65.34406	0.5
65.41550	0.4
71.51537	0.7
99.92587	0.8
115.92100	0.7
116.92866	1.8
161.54889	0.4
250.87027	0.4
345.48318	0.5
407.11823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98829	100.0
62.09782	0.5
62.31952	0.6
67.57359	0.5
70.92592	1.3
71.27005	0.5
90.16682	0.5
90.85038	0.6
96.59714	0.6
98.20120	0.5
152.39528	0.6
246.83821	0.5
260.36984	0.6
296.59824	0.6
320.22406	0.6
389.74841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92745	0.3
61.98830	100.0
70.01151	0.6
70.01531	0.6
98.20171	0.8
102.32546	0.3
108.97002	0.4
122.80456	0.3
152.99655	0.5
179.81183	0.4
278.36139	0.4
332.14261	0.4
337.56845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06907	0.2
61.98829	100.0
75.19901	0.3
90.34653	0.3
96.56370	0.3
104.41032	0.3
133.38031	0.3
158.14182	0.3
229.09062	0.4
245.91713	0.3
269.16888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18076	0.2
59.01376	0.7
61.98829	100.0
68.28385	0.2
69.85768	0.8
69.86193	0.5
78.95915	0.5
94.65712	0.2
96.21891	0.2
96.96018	0.3
108.54873	0.2
406.27167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07939	0.9
61.98829	100.0
70.81300	0.8
71.52152	1.1
77.23944	0.8
77.61163	0.8
109.42265	0.9
139.32947	0.8
188.28279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.03433	2.2
58.00578	1.7
59.01381	51.8
61.98830	12.4
66.15036	0.7
70.94188	0.6
70.94524	1.2
71.01379	35.5
71.05032	1.4
72.99306	2.9
73.02935	1.8
76.41251	0.5
78.95895	0.6
83.01376	2.2
85.02953	7.9
87.00862	1.3
89.02445	29.5
90.02815	0.6
94.15585	0.6
95.01382	1.7
96.96016	1.0
97.06603	0.5
99.00864	1.0
99.04531	1.3
101.02437	17.6
113.01744	0.8
113.02461	10.6
119.03497	11.8
121.06599	1.4
125.02450	0.6
125.06032	1.0
126.90477	0.9
129.01932	0.8
131.03490	1.0
135.04526	0.6
143.03508	1.2
143.07130	6.1
147.55191	0.6
149.04576	1.2
153.12863	2.9
156.66411	0.5
161.04564	1.7
179.04234	0.6
179.05611	4.7
210.82980	0.5
225.14980	2.3
274.46841	0.6
345.18472	0.7
352.61832	0.6
363.19208	0.6
387.20300	1.0
405.21255	100.0
406.21683	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	406.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75407	0.9
51.82911	0.9
58.02975	2.5
59.01376	3.1
59.41064	1.0
61.98826	1.1
62.62038	0.9
66.40006	1.1
69.59895	6.7
71.01362	1.3
72.00912	1.7
72.99314	1.0
74.00710	2.9
74.02466	9.4
78.95913	1.7
79.45300	1.1
82.02986	4.5
85.02943	14.0
85.04072	4.2
86.02478	4.4
87.00882	1.3
87.05646	2.3
88.98785	1.6
96.96013	11.0
96.96993	2.1
97.04070	14.0
99.05640	4.5
100.00395	4.6
102.00196	8.4
103.92043	1.2
104.92711	1.0
105.99679	16.6
106.84480	1.2
109.04077	2.4
113.03555	1.5
114.00202	2.4
116.01737	1.5
125.03596	1.7
126.98853	1.2
128.03539	59.8
129.01959	1.9
131.02840	3.3
132.01155	1.2
135.04535	2.1
135.05643	2.9
141.03069	3.2
143.04633	11.3
145.06180	1.1
146.04576	2.0
147.03000	4.1
151.05164	2.9
153.06718	7.2
160.00739	8.8
164.08252	1.5
169.06142	6.3
175.01817	20.6
176.00226	1.1
179.04617	8.8
182.09309	3.1
185.03964	2.4
191.01924	6.9
197.05641	11.1
203.04951	1.7
208.07274	1.6
209.03061	3.4
226.08307	7.0
226.37178	0.9
252.06248	1.8
254.07829	1.7
272.08719	2.6
278.83066	1.4
286.05029	4.7
304.06073	100.0
305.06357	7.5
365.88348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01878	0.7
56.58809	0.4
57.03445	1.1
58.00587	1.9
59.01379	54.5
61.98829	6.0
69.22433	4.1
71.01379	45.6
71.05003	1.1
72.01709	0.7
72.99310	3.4
73.02940	1.5
77.81474	0.4
83.01382	2.5
85.02946	7.4
87.00858	1.3
89.02444	32.3
90.02769	0.5
95.01393	3.0
96.96033	0.7
99.00890	0.9
101.02444	18.7
113.02450	11.8
113.03036	0.2
119.03500	12.3
125.02361	0.7
131.03488	0.9
132.11266	0.5
143.03479	1.2
143.07150	6.1
149.04526	0.7
153.12862	2.7
159.21278	0.4
161.04561	1.7
179.05574	2.8
207.13817	1.1
218.44186	0.5
225.14952	1.6
234.87889	0.4
243.06612	0.5
263.98642	0.4
329.71005	0.4
387.20212	1.0
405.21255	100.0
406.21552	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	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
57.03463	1.4
58.00598	1.5
59.01380	48.0
61.16426	0.9
61.98833	11.7
69.68302	3.0
71.01382	47.1
71.41290	0.7
72.99313	2.8
73.02928	1.8
78.95898	11.5
79.95745	1.0
83.01387	1.7
85.02946	7.7
89.02443	25.7
95.01389	2.1
96.96008	5.5
96.96928	2.0
98.20673	1.0
99.00886	1.0
101.02443	15.8
110.77763	0.8
112.98745	0.8
113.02461	9.7
119.03506	10.8
120.99672	1.8
121.03018	1.0
127.11270	1.2
135.91104	0.8
143.03462	1.0
149.02432	6.3
150.03249	8.5
152.01041	0.9
153.12833	2.0
157.66620	0.9
161.04526	1.8
164.04747	1.3
165.05551	8.3
179.05646	2.7
195.06616	3.4
199.13365	4.5
225.14934	2.2
357.13586	4.6
363.19778	0.9
387.20276	2.0
405.21271	100.0
406.21671	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67602	0.3
55.01862	0.7
55.84624	0.3
57.03447	100.0
58.00592	1.3
58.03774	1.4
59.01378	72.5
60.01720	0.7
69.03458	0.6
69.54477	2.3
71.01381	20.8
72.99300	0.9
73.02943	11.8
79.05527	0.5
81.03454	1.5
83.01389	4.7
85.02951	3.2
87.00883	1.1
89.02442	17.9
95.01407	1.2
97.06571	0.4
99.00889	0.9
99.04518	69.3
100.04838	1.6
101.02440	31.3
102.02769	0.6
113.02447	8.7
113.06074	1.2
119.03507	6.8
123.04523	4.0
125.02443	22.5
126.02773	0.7
131.03487	2.0
141.05550	1.1
141.10521	0.4
143.03499	3.6
149.04572	1.8
153.05481	0.9
161.04564	4.2
163.09961	0.4
179.05621	5.5
203.79333	0.4
221.06630	0.5
261.13431	2.3
263.77921	0.4
272.49643	0.4
274.10239	0.4
303.14273	0.7
343.17285	0.5
347.91275	0.4
405.17535	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03447	100.0
58.00576	0.6
58.03782	1.3
58.73434	0.6
59.01379	78.7
60.01727	1.1
61.98831	1.7
63.96241	0.9
70.52333	2.2
71.01380	15.0
72.99310	1.0
73.02948	7.6
81.03462	1.4
83.01392	4.5
85.02950	11.2
87.00848	0.7
88.18756	0.7
89.02445	3.0
95.01398	1.7
99.00904	2.6
99.04517	78.5
100.04878	1.5
101.02443	37.3
102.02774	0.9
111.00877	0.9
113.02451	9.1
119.03521	0.6
125.02444	20.8
125.03337	1.2
126.02800	0.7
129.01904	0.8
133.81964	0.6
135.98390	2.5
143.03500	2.5
159.03018	1.3
161.04546	8.2
181.12389	2.7
225.11311	10.0
243.12364	1.7
247.22516	0.7
254.44327	0.8
261.13400	37.6
262.13828	1.7
282.00400	0.6
303.14496	5.0
320.15878	0.6
343.17722	2.4
405.17566	16.8
405.22421	1.1
406.17911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	14.4
59.01376	100.0
61.98824	25.6
69.47829	40.3
71.01384	20.0
72.99316	11.4
77.99356	6.1
80.47101	6.7
81.09934	7.0
85.02950	27.9
89.02424	14.5
99.04540	7.6
99.92606	12.2
101.02432	7.5
105.25991	7.1
106.04281	7.0
113.02412	7.5
115.92120	36.6
125.02449	7.1
151.00380	6.6
161.04561	7.6
161.09683	13.0
162.05577	9.7
164.03752	7.2
185.93115	6.7
193.05038	9.0
205.08672	29.6
219.65787	6.3
225.11261	9.3
228.94437	7.2
243.06659	17.9
243.12390	10.8
405.16983	47.6
405.21329	9.1
406.17316	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.9
57.03445	32.5
59.01381	100.0
61.83892	2.6
61.98840	15.4
62.36142	2.4
69.34325	19.2
71.01379	28.6
72.99297	4.3
73.02926	9.5
80.96528	3.8
83.01381	3.2
85.02953	24.6
87.00880	2.9
89.02449	14.2
96.96004	7.1
99.00891	4.8
99.04517	28.6
101.02421	29.3
111.00903	3.1
113.02437	9.0
113.60705	2.6
115.92068	8.0
119.03478	5.9
119.05067	3.0
125.02425	7.8
125.09736	2.9
139.11264	3.8
152.72025	2.5
161.02425	4.2
161.04597	4.9
168.57362	2.8
181.12376	7.5
183.10239	16.2
183.27707	3.0
191.01982	2.8
199.13405	38.8
207.10080	3.8
225.11308	13.8
243.12375	58.3
247.61737	2.9
261.13400	6.7
345.15500	4.4
361.18616	8.4
405.17130	39.5
405.21567	10.4
406.17734	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	405.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01369	3.0
61.98830	7.3
65.00341	0.6
78.95896	1.5
79.95737	84.5
80.96511	8.7
83.05013	0.5
85.02931	1.0
96.96011	100.0
97.06559	0.5
98.20656	1.3
99.92611	0.6
107.01373	0.9
112.63643	0.4
115.92058	3.3
121.48017	0.5
126.90504	0.8
127.07631	0.5
131.35416	0.4
147.08029	0.5
151.00351	1.4
153.09229	1.0
171.10234	1.1
197.11812	1.3
204.01512	0.5
209.11797	3.3
253.04987	1.1
289.17914	0.8
305.17624	0.7
307.19031	2.2
325.20212	1.3
405.06219	5.1
405.15851	88.4
406.07278	0.6
406.16193	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	405.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.99661	0.6
57.03447	7.6
57.24396	0.6
59.01379	11.6
61.91726	0.6
61.98828	2.2
69.89407	2.9
71.01380	9.2
72.99303	2.4
73.02954	0.7
75.00879	1.6
83.01388	1.5
84.02178	1.5
85.02950	67.9
86.03297	1.1
87.00848	2.0
89.02429	5.7
96.96014	1.1
98.19881	0.7
101.02454	1.9
103.00371	1.7
111.00869	3.5
115.00367	1.2
116.92831	1.2
119.03548	0.9
129.01935	6.8
133.01421	5.4
133.02968	1.5
134.77148	0.6
138.05637	1.1
146.06116	2.0
147.02975	4.6
169.00621	2.8
173.00894	1.9
191.01978	26.0
192.02359	0.9
194.98544	1.0
209.03018	100.0
210.03331	4.2
212.99593	4.1
299.13843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07130	0.7
55.01880	2.3
57.03453	11.4
59.01387	7.4
67.90092	0.8
68.99803	1.4
69.54292	3.3
69.54745	1.9
71.01379	8.7
72.99312	2.9
73.49458	0.7
75.00874	2.8
81.03432	0.8
82.10979	0.7
83.00928	0.8
83.01395	3.3
84.02171	2.1
85.02952	100.0
86.03297	1.7
87.00845	1.8
89.02459	1.4
93.03466	1.3
103.00390	2.7
108.02163	1.2
109.02982	0.9
111.00892	3.6
115.00413	1.8
121.02957	2.0
123.04539	5.1
129.01944	6.5
133.01439	4.1
133.02968	3.5
147.02983	10.7
151.03989	4.1
169.00601	0.9
173.00833	1.5
191.01970	34.2
192.02336	1.3
195.02974	1.6
209.03020	46.2
210.03375	1.7
212.99475	1.0
355.06519	2.0
405.06534	1.1
426.71463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
56.26492	0.6
57.03202	0.8
57.03453	10.8
59.01380	8.3
61.98825	4.5
68.99802	1.0
71.01379	5.9
71.05470	0.8
71.05811	1.4
72.99300	2.4
73.02938	0.8
75.00884	2.2
83.01394	3.4
84.02153	2.6
85.02950	100.0
86.03281	1.5
87.00873	2.3
89.02440	2.0
96.96024	1.2
99.92585	3.1
101.02468	1.6
103.00379	1.9
105.03430	0.9
111.00883	3.1
115.00364	1.4
115.92064	2.1
129.01949	16.8
130.02298	0.9
133.01414	1.6
133.02957	15.5
147.01849	1.4
147.02995	23.3
169.00616	20.5
170.00993	0.8
173.00923	2.0
177.01938	2.1
191.01973	36.8
192.02351	1.1
192.73398	0.6
194.98666	0.8
209.03023	23.5
210.03467	1.5
212.99597	13.6
213.99979	1.0
238.59248	0.7
254.33446	0.7
267.02600	0.8
276.98135	1.3
290.95963	1.8
308.97003	0.8
319.89307	0.7
369.04688	1.1
405.02261	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	404.244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91481	3.1
61.98832	100.0
69.87488	2.5
71.42284	4.0
77.64983	2.4
90.23925	2.6
221.03850	3.0
308.37634	2.9
356.31915	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03449	10.1
59.01385	8.9
60.99305	0.7
61.98823	0.7
68.99810	1.3
69.57224	0.6
70.04479	2.4
71.01376	9.8
72.99310	3.8
73.02957	0.9
75.00873	2.6
83.01385	3.0
84.02158	3.3
85.02950	100.0
86.03295	1.9
87.00904	1.7
88.98801	3.5
89.02453	4.2
93.03447	1.2
93.57637	0.6
96.59705	0.6
96.96023	1.8
99.00887	1.0
99.92582	1.0
101.02437	2.3
103.00378	2.0
105.03448	0.9
107.05058	0.8
111.00893	4.1
115.00413	1.0
116.80251	0.6
121.02948	1.0
123.04527	1.9
129.01941	6.8
133.01433	3.3
133.02954	5.1
147.02988	10.2
151.04016	2.8
169.00624	2.2
173.00914	1.7
177.01917	1.8
191.01976	34.1
192.02341	1.6
194.98579	0.7
209.03018	87.9
210.03387	2.1
212.08977	0.9
212.99541	4.3
247.83388	0.6
276.98175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14078	0.2
56.30542	0.3
59.01375	0.5
61.92056	0.3
61.98830	100.0
69.86933	1.5
98.19987	0.5
121.68555	0.4
138.15939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16200	0.2
59.01381	1.1
61.98830	100.0
62.98521	0.2
68.76239	0.2
71.52345	0.2
78.95918	0.4
83.28446	0.2
92.40207	0.2
101.35434	0.2
104.45913	0.2
130.08701	0.2
185.68762	0.2
204.08693	0.2
257.72931	0.2
379.77957	0.2
407.32419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.8
61.98829	100.0
70.78423	1.1
70.78756	2.4
78.95900	7.7
101.57499	1.0
116.33482	1.0
134.04713	1.7
347.83609	1.0
391.33795	1.0
401.62329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72602	0.6
51.80151	0.5
59.01378	6.2
59.40379	0.6
61.98828	100.0
62.62904	0.6
65.10815	0.6
71.51978	1.0
78.95905	3.8
134.04694	1.4
199.48022	0.6
403.14716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89371	0.3
59.01369	0.4
59.64413	0.2
61.98830	100.0
69.57830	0.5
69.58238	1.3
71.25750	0.2
78.95918	0.6
80.88162	0.3
93.21373	0.3
98.19902	0.5
122.30717	0.3
179.93056	0.3
223.83141	0.4
261.89999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
58.30049	0.4
59.01382	14.4
60.82093	0.4
61.98830	100.0
62.55322	0.4
63.96263	0.5
65.00291	0.3
69.37730	0.3
70.36765	0.7
71.01383	4.7
72.99313	1.5
73.02948	1.2
74.99091	0.4
75.00877	0.8
78.95903	3.5
79.95760	0.4
83.01408	1.2
85.02952	9.1
86.03297	1.1
87.00882	1.5
89.02453	2.0
90.98606	3.4
93.03474	0.9
96.96019	2.6
96.96980	1.0
99.00948	0.5
101.02436	2.8
109.02972	0.4
111.00909	1.6
113.02422	2.0
117.03432	0.6
119.03491	0.6
123.04528	0.4
125.02477	0.6
129.01964	2.4
130.02254	0.5
134.04738	0.9
134.99947	0.4
135.01295	0.5
135.98384	0.8
136.99129	0.8
137.02460	1.0
147.02989	0.8
155.00883	0.5
161.04576	1.2
173.00868	0.5
174.59087	0.5
179.00211	7.0
179.03514	0.5
181.08565	0.4
191.02000	1.2
205.03551	0.7
209.03038	1.4
213.15085	1.4
216.02359	0.4
218.89839	0.4
220.26755	0.4
223.04578	2.6
224.04967	0.6
243.12477	0.4
328.02835	0.4
329.11469	1.0
345.15851	0.7
360.06122	0.4
404.16632	0.6
405.16745	1.2
405.21631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.27
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57748	1.0
59.01382	100.0
61.98835	13.0
62.41986	0.9
62.59761	1.2
64.52156	1.0
69.19095	1.0
71.52415	1.8
78.95908	5.1
92.92810	2.3
98.20477	1.4
140.49805	1.2
145.39412	1.2
210.09174	1.2
218.10809	1.4
233.10468	1.3
264.95581	1.1
402.99045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01377	2.4
60.59402	0.6
61.42908	0.6
61.98829	100.0
62.91388	0.7
71.01368	1.2
72.99306	0.9
78.39547	0.7
78.95915	1.9
85.02947	12.1
96.96020	0.8
99.92600	1.9
113.02460	0.7
129.01958	1.8
133.02937	0.9
135.04507	8.7
141.93648	0.7
147.03029	2.2
159.25703	0.7
161.02460	0.6
169.00670	1.0
179.01910	1.2
179.03490	19.1
180.03844	0.8
191.01994	4.8
209.02992	3.8
212.99538	1.2
284.09610	0.8
310.46942	0.7
341.08685	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01876	1.2
57.03446	2.0
58.00591	1.1
59.01379	36.4
61.98840	0.9
67.82063	0.3
68.99821	0.5
69.03444	1.0
69.44518	1.5
71.01379	23.6
71.05023	1.0
72.01723	0.3
72.99313	1.1
73.02945	5.3
78.95897	0.8
80.45741	0.3
81.03484	0.4
81.50883	0.3
83.01379	3.2
85.02951	7.4
86.00105	0.7
87.00880	3.6
89.02448	4.6
95.01405	1.4
97.02953	0.9
98.20633	0.3
99.00887	1.2
101.02441	8.7
105.11838	0.3
111.00891	0.6
112.01687	0.5
113.02452	4.6
114.02765	0.3
119.03519	1.2
123.08167	0.4
124.01679	0.7
125.02460	1.8
129.01996	0.3
143.03481	0.6
153.12871	1.8
155.14513	0.2
169.08958	0.2
181.12326	3.4
185.15494	0.3
197.11765	0.3
199.13385	19.9
200.13771	1.0
211.13428	0.8
217.74414	0.3
239.13011	0.3
241.14383	0.8
253.14333	0.3
325.16693	0.3
343.17581	19.0
344.17953	1.7
361.18655	47.7
362.19031	4.9
403.19690	100.0
404.14673	0.5
404.20053	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	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
53.40955	0.7
55.01870	1.2
56.52754	0.7
57.03451	5.5
57.76115	0.8
58.00590	1.1
59.01378	89.6
60.01704	1.2
61.98828	10.0
69.39455	5.5
71.01381	20.5
72.99306	2.3
73.02950	4.8
75.00850	0.9
78.95911	9.2
83.01402	4.0
85.02946	15.6
87.00870	3.9
89.02446	12.4
95.01379	1.3
96.95993	3.0
96.96955	0.9
97.02935	1.0
99.00884	1.3
99.04523	1.5
101.02440	12.3
111.00856	1.3
111.02007	0.9
113.02458	8.3
117.03455	3.5
119.03474	3.6
119.08656	1.8
121.02949	1.5
123.04491	1.0
123.08160	1.3
128.03513	0.7
129.01950	2.5
129.96094	0.8
133.10211	1.6
134.04692	1.6
135.04562	0.8
135.08099	1.2
135.11737	1.1
137.09711	5.4
144.04533	2.3
147.03055	1.0
150.05614	2.5
153.01065	0.8
158.92502	1.6
161.02458	3.2
161.04572	4.3
161.05742	0.6
161.09731	4.0
163.07649	2.4
176.07143	1.1
179.05611	1.4
179.10800	4.9
181.08650	9.8
185.05974	0.8
191.01895	0.9
193.12292	3.3
197.00075	2.3
197.04613	2.4
197.11823	53.5
198.12166	3.3
205.08801	0.9
211.13385	1.8
223.04614	0.8
223.09801	5.4
241.10808	100.0
242.11128	6.0
283.11856	2.4
323.07764	2.4
327.13553	2.8
343.13983	1.2
359.16278	1.2
402.99490	1.6
403.15451	8.0
404.16269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53188	1.1
59.01379	8.1
61.98830	93.3
70.77058	1.1
71.42821	1.9
78.95902	19.3
79.95737	73.1
80.96518	15.9
83.05019	1.3
85.02926	1.7
87.86703	1.1
96.96012	80.7
107.05051	2.2
116.20338	1.4
134.04657	2.4
140.41354	1.1
153.09184	2.1
158.92552	2.9
177.05591	1.9
197.11795	2.3
207.10220	2.0
209.11824	10.9
225.11292	2.4
254.11763	1.9
275.55228	1.4
277.18106	1.4
301.77969	1.3
305.17511	8.2
323.18527	1.6
403.14276	100.0
404.14447	8.9
410.44354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24037	0.8
55.01865	2.3
57.03448	100.0
58.03785	1.6
59.01380	89.5
60.01691	1.2
61.98545	1.1
61.98833	14.1
71.01378	27.2
71.52003	1.0
72.01685	0.9
72.99282	2.5
73.02944	8.6
75.00851	1.3
78.95900	8.8
80.96541	1.1
81.03444	1.6
83.01381	7.3
85.02952	33.3
87.00860	3.1
89.02429	7.1
91.72792	0.8
95.01373	2.3
96.95998	2.7
97.06683	0.9
99.00912	4.5
99.04519	79.3
100.04838	1.6
101.02439	37.7
111.00866	4.0
113.02450	9.4
116.92803	1.9
117.03465	1.8
119.03498	2.6
125.02446	24.0
129.01944	9.6
131.65727	0.9
134.03746	2.4
134.04672	1.6
143.03471	3.2
147.03035	1.0
149.06047	1.1
153.01126	1.4
153.05508	1.0
158.92557	2.6
159.02982	2.5
161.02437	1.7
161.04552	10.6
173.00858	2.6
179.00005	0.9
179.05528	0.9
181.08678	1.1
181.15372	0.9
191.01878	2.7
197.00063	1.8
197.04568	1.8
205.03493	4.2
205.12335	1.3
209.03055	2.0
223.04689	2.2
234.49017	0.9
241.10745	1.1
259.08182	22.5
301.09305	2.9
349.48688	1.0
359.17337	1.6
403.12305	3.8
403.20139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40374	0.8
55.01867	1.9
55.60612	0.9
57.03187	1.6
57.03445	13.1
59.01382	8.3
67.77690	0.9
70.51536	3.0
71.01381	7.3
72.99311	2.6
75.00871	1.8
78.95908	1.9
83.01382	2.8
84.02172	2.1
85.02950	100.0
86.03282	2.3
87.00851	1.3
89.02445	2.9
93.32861	0.9
98.20072	1.3
98.20598	1.2
103.00371	1.4
111.00865	6.0
115.00367	1.3
129.01941	12.9
133.01385	4.6
135.04521	9.3
137.02422	1.5
147.02994	10.3
155.03909	0.9
173.00842	2.9
184.02322	1.1
187.97533	0.9
191.00250	2.0
191.01976	37.6
199.70111	0.9
207.57840	0.9
209.03023	90.3
210.03362	3.2
353.05109	1.0
371.06128	3.1
381.24442	1.1
403.08713	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	403.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.8
57.03447	13.2
59.01379	6.9
60.99284	0.7
61.98832	5.8
62.22569	0.6
68.99806	1.1
70.45893	0.9
70.46228	1.2
71.01382	5.6
71.06702	0.8
72.99321	1.2
73.02965	0.7
75.00864	3.1
78.95903	15.0
78.96336	1.3
81.03448	1.1
82.13462	0.6
83.01379	4.7
84.02158	2.4
85.02949	100.0
86.03287	2.4
87.00886	1.7
87.92537	0.7
88.98812	5.8
89.02437	1.2
89.13551	0.6
90.09148	0.8
96.96015	1.8
96.96950	0.9
98.11755	0.7
101.02431	2.6
103.00380	1.3
109.02923	1.1
111.00889	8.0
111.01989	3.5
121.40195	0.7
123.04524	4.9
129.01944	23.0
134.03796	0.8
135.04524	40.8
136.01653	1.4
136.04869	2.0
137.02438	1.0
143.03519	1.2
147.02985	11.9
149.02391	1.2
151.04025	3.5
153.05568	6.3
158.92532	8.8
161.04556	1.0
167.03491	1.4
173.00896	4.3
191.01965	33.2
192.02382	0.9
197.04556	4.1
205.03513	9.5
209.03030	13.8
211.06053	1.3
223.04584	10.6
279.31805	0.6
290.96817	0.6
305.01819	1.1
385.07416	1.0
402.99670	5.6
403.04019	1.1
403.08905	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	403.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.6
57.03447	8.8
59.01384	16.7
61.98826	15.2
62.71007	1.3
71.01380	14.1
71.51015	1.2
72.99317	2.0
73.02922	1.9
75.00858	1.3
78.95892	8.1
83.01389	20.6
85.02950	27.1
87.00864	1.1
88.79720	1.2
89.00328	2.4
89.02429	4.4
91.01892	2.9
95.01373	1.7
96.96023	3.0
96.96957	1.5
99.00862	3.4
99.04489	2.0
101.02438	5.3
103.00324	1.8
106.00578	3.1
111.00876	21.4
111.01636	1.5
111.01994	2.6
113.02428	3.3
115.00411	1.3
119.03515	2.4
121.02953	51.5
123.00874	3.2
129.01945	23.1
131.72154	1.2
137.99600	1.1
138.03271	2.6
140.93840	1.1
143.03487	11.7
147.02977	2.2
153.05579	34.3
153.09157	1.3
154.99898	1.4
158.92580	2.3
165.09158	2.3
166.99872	1.4
167.03535	1.4
173.00908	12.3
182.02177	4.4
191.01952	5.1
197.04543	100.0
198.04849	5.2
205.03450	2.2
209.02975	1.2
223.04536	1.9
223.13234	2.2
245.12202	1.1
265.07141	3.4
316.77341	1.4
327.07288	3.3
365.14230	1.6
371.05960	4.4
385.18512	1.7
403.08444	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	403.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.6
57.03447	8.8
59.01384	16.7
61.98826	15.2
62.71007	1.3
71.01380	14.1
71.51015	1.2
72.99317	2.0
73.02922	1.9
75.00858	1.3
78.95892	8.1
83.01389	20.6
85.02950	27.1
87.00864	1.1
88.79720	1.2
89.00328	2.4
89.02429	4.4
91.01892	2.9
95.01373	1.7
96.96023	3.0
96.96957	1.5
99.00862	3.4
99.04489	2.0
101.02438	5.3
103.00324	1.8
106.00578	3.1
111.00876	21.4
111.01636	1.5
111.01994	2.6
113.02428	3.3
115.00411	1.3
119.03515	2.4
121.02953	51.5
123.00874	3.2
129.01945	23.1
131.72154	1.2
137.99600	1.1
138.03271	2.6
140.93840	1.1
143.03487	11.7
147.02977	2.2
153.05579	34.3
153.09157	1.3
154.99898	1.4
158.92580	2.3
165.09158	2.3
166.99872	1.4
167.03535	1.4
173.00908	12.3
182.02177	4.4
191.01952	5.1
197.04543	100.0
198.04849	5.2
205.03450	2.2
209.02975	1.2
223.04536	1.9
223.13234	2.2
245.12202	1.1
265.07141	3.4
316.77341	1.4
327.07288	3.3
365.14230	1.6
371.05960	4.4
385.18512	1.7
403.08444	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	403.0533
Annotation	3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate
Peak:m/z	Relative Intensity
52.05795	1.2
52.06408	1.2
53.73009	1.0
55.01878	3.2
57.03448	36.2
59.01382	12.9
61.98840	9.6
66.50760	1.0
68.91814	1.0
71.01381	8.1
71.50463	1.5
72.99307	4.0
73.02959	2.0
75.00871	2.3
78.95904	82.6
79.95770	2.2
80.96531	3.0
81.03455	6.0
83.01375	4.6
84.02175	2.5
85.02948	100.0
85.80235	1.1
86.03294	2.2
87.00867	5.9
88.98801	8.3
89.02445	3.2
95.01447	1.1
96.96007	44.5
96.96982	4.5
99.04514	31.5
101.02444	16.3
103.00365	1.8
109.01192	1.4
111.00900	6.8
111.02007	23.5
113.02425	2.4
115.00376	1.6
121.02924	2.5
123.04538	12.5
125.02474	1.5
128.03510	2.6
129.01952	16.1
133.01422	2.0
135.04501	10.5
138.97079	2.7
139.04042	1.6
143.03468	1.6
143.04581	2.4
147.02975	10.8
150.97104	1.3
152.98619	3.1
158.92535	43.9
158.93845	2.6
160.58206	1.1
161.04550	42.0
167.03477	4.3
173.00972	1.2
174.98074	1.9
180.98128	1.7
184.75127	1.0
191.01978	40.0
192.98946	1.4
197.04565	1.8
205.03494	5.7
209.03026	32.1
210.03366	1.1
211.02530	2.8
223.04578	4.8
241.00316	5.8
259.01294	2.8
272.95724	3.6
290.96863	3.0
305.01730	7.4
316.20782	1.2
343.03339	2.6
384.98416	3.5
402.99484	32.0
403.05469	94.2
404.00229	1.7
404.05853	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	403.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
57.03440	5.0
59.01381	33.2
61.98830	100.0
70.22097	5.4
71.01376	13.1
72.99303	2.3
73.02954	3.3
75.00877	1.7
78.95905	23.6
78.96335	2.2
81.03466	1.4
83.01385	10.1
85.02948	14.2
85.89219	1.5
87.00846	2.1
88.98794	9.8
89.02467	5.9
96.96010	2.9
99.00867	3.9
99.04526	3.2
101.02444	5.4
109.03002	2.3
111.00875	9.0
111.02006	6.9
112.38503	1.3
117.03468	1.4
119.03493	1.6
121.02921	1.7
121.42646	1.4
129.01933	22.2
130.54012	1.3
132.02213	1.6
133.02954	19.9
133.06641	1.4
134.03719	1.8
134.42046	1.3
135.04535	35.0
136.04974	2.1
137.02449	2.0
137.05956	1.5
143.03461	8.9
158.92558	10.7
161.02443	81.8
161.04558	3.4
162.02740	3.5
163.47090	1.6
173.00909	22.0
179.03522	20.1
180.03825	1.4
181.08794	1.6
189.05484	3.4
191.01926	4.1
191.03499	1.9
197.00128	3.5
197.04549	2.3
199.13385	3.4
205.03456	4.0
217.05127	2.8
219.03015	3.7
223.04515	2.5
229.04984	1.6
239.11879	2.2
263.09036	1.6
272.95441	2.1
273.47620	1.5
283.10883	3.4
287.71362	1.6
309.08911	2.1
327.09860	4.0
335.04089	14.8
361.18634	4.8
367.06683	19.1
371.08899	3.4
402.99719	8.0
403.10977	2.1
403.19424	13.3
404.20126	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83545	0.9
52.89217	0.9
52.95319	1.2
61.98832	100.0
78.05124	1.1
87.50409	0.9
89.61633	1.0
91.53056	1.0
98.20760	2.6
146.70580	1.0
152.17426	1.1
163.11279	4.1
180.04427	1.2
202.95578	1.2
334.25217	1.2
339.23236	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	402.9946
Annotation	Uridine diphosphate (UDP)
Peak:m/z	Relative Intensity
51.99908	0.4
59.01369	1.0
60.32526	0.4
60.99292	0.5
61.98828	3.5
62.22745	0.4
63.56746	0.3
68.22047	0.4
70.20432	0.9
71.01359	0.6
71.20200	0.4
77.50082	0.4
78.95902	100.0
85.02946	5.1
87.00877	2.7
87.92522	0.6
88.98801	5.8
96.96011	0.9
96.96957	5.8
103.92025	1.3
111.00826	1.1
111.02002	27.6
112.02343	0.5
113.29782	0.4
129.01913	0.8
133.01393	0.5
135.04541	0.4
147.02962	0.6
151.64087	0.4
156.89482	2.1
158.92529	55.0
173.00945	0.4
174.97997	1.2
176.93573	1.1
191.01953	3.1
192.99065	1.2
209.02985	3.2
211.00134	0.9
228.97531	1.0
272.95642	5.3
290.96741	2.2
305.01782	7.8
323.02902	0.7
384.98453	5.7
385.98907	0.4
402.99463	43.4
403.99844	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	402.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94149	2.1
59.01381	26.9
60.01701	3.7
61.01810	2.4
61.34922	2.2
61.98832	100.0
63.88953	2.0
92.10471	2.1
118.18008	2.1
121.02969	3.1
126.90504	3.9
235.24370	2.3
286.75580	2.5
370.10919	2.3
402.83328	4.4
429.46121	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	402.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27170	1.9
59.01378	14.3
61.98831	100.0
67.59324	1.8
69.28166	4.2
69.28580	11.3
78.95898	10.3
84.02674	1.8
121.02963	3.6
122.03345	3.2
250.91911	1.8
295.04895	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	401.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56640	1.3
59.01379	100.0
60.01682	1.1
61.98839	1.8
69.64127	3.9
69.64538	3.6
84.33955	1.1
85.62307	1.1
92.92803	2.5
98.20007	2.5
98.20614	2.4
107.65951	1.1
108.84124	1.3
121.02963	10.8
125.09709	2.1
129.09215	4.0
141.09190	3.6
155.10791	1.2
199.13393	2.1
253.56801	1.4
261.48535	1.1
313.07117	1.6
323.22321	2.9
401.08664	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	401.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98840	5.1
66.84911	1.3
69.30972	9.3
70.87531	1.0
77.33936	1.0
78.95892	2.7
80.96540	1.6
84.62453	1.0
86.17719	1.0
98.20673	1.1
111.08182	1.2
121.02942	10.1
216.39622	1.2
302.64771	1.1
309.20474	1.6
313.07156	2.3
401.08807	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	401.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39909	0.3
59.01377	100.0
60.01700	0.7
61.98829	3.2
69.61800	1.2
98.19852	0.3
121.02942	2.7
123.19006	0.3
141.65375	0.3
142.92982	0.3
199.72124	0.3
223.13568	0.4
307.51901	0.3
313.07272	0.6
401.09021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Spionoside B
Peak:m/z	Relative Intensity
54.77979	1.1
57.03447	2.1
59.01383	16.1
61.98832	9.2
68.55394	0.9
69.20158	6.6
69.20586	3.9
71.01370	5.7
72.99265	1.5
73.02943	1.8
73.09428	1.0
75.38103	1.2
80.56437	1.0
85.02944	5.0
89.02433	3.8
91.03996	2.5
92.04155	1.3
94.23232	1.1
96.95983	1.6
98.19917	1.8
101.02437	2.7
113.02470	4.7
113.46387	1.0
121.02956	2.3
171.10222	3.2
177.12828	9.0
179.05600	1.6
195.13893	98.1
196.14268	6.9
203.10744	2.3
211.13499	2.0
219.13757	2.1
221.11739	2.2
229.14423	1.4
239.12875	100.0
240.13266	7.2
263.12930	5.8
281.13831	2.4
327.21722	14.3
328.22055	1.3
329.22641	2.2
341.10696	1.7
401.17874	3.3
402.24921	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.30341	1.2
54.42072	1.4
59.01379	12.5
61.98822	8.3
64.34018	1.1
70.66389	4.6
71.01377	5.3
73.02940	2.2
85.02955	3.0
89.02453	5.3
91.03996	2.3
91.45800	1.4
98.95554	1.8
101.02419	2.8
113.02449	3.3
121.02996	2.7
171.10246	3.8
177.12866	6.2
179.30013	1.2
195.13901	100.0
196.14230	6.4
203.10736	2.7
211.13382	3.4
221.11899	2.4
239.12880	100.0
240.13248	7.0
243.50020	1.5
259.46442	1.4
263.12912	3.1
281.13870	2.9
309.20547	2.5
327.21750	13.1
329.22293	2.6
341.10699	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	401.1817
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01872	2.0
57.03450	2.8
58.00584	1.3
59.01381	27.0
61.98814	0.9
64.21642	0.5
69.03438	0.5
69.18474	4.7
71.01382	21.9
72.01715	0.5
72.99300	1.2
73.02951	5.1
82.65881	0.4
83.01394	4.3
85.02946	10.7
87.00862	1.1
89.02439	9.2
95.01363	1.6
96.96004	1.3
99.00877	1.9
101.01800	1.0
101.02444	17.4
111.00864	0.7
113.02449	7.4
116.12283	0.4
119.03497	3.0
123.08161	3.7
125.02483	0.6
132.10721	0.5
132.74739	0.5
159.79964	0.5
161.04543	1.9
177.12846	4.1
191.01891	0.5
195.13867	2.9
221.11877	3.5
225.82529	0.6
281.04803	0.5
341.10849	1.0
401.18155	100.0
402.18460	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	401.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
61.98831	4.9
66.14803	0.6
69.25967	3.1
69.26385	1.9
71.01373	2.0
73.02941	0.7
85.02953	1.7
89.02456	1.0
96.95982	0.6
101.02438	1.0
105.94120	0.5
108.04550	0.7
113.02486	0.8
119.03536	0.9
121.02966	0.8
160.04080	1.3
160.31940	0.6
188.03558	2.2
196.09778	0.7
197.04823	1.0
198.04243	1.1
209.07031	0.6
210.05530	1.0
211.05150	1.0
212.07326	5.4
223.08607	0.9
225.04294	0.8
225.06744	0.9
226.03854	5.3
226.07381	0.7
227.04416	0.9
227.08278	3.0
238.08784	0.9
239.04514	4.2
239.08206	1.7
240.05179	6.0
241.06155	5.3
250.08058	0.7
251.08199	1.8
253.06192	1.9
253.09869	1.2
254.06900	1.9
255.07755	9.4
256.08279	1.5
263.08325	0.8
265.06165	0.8
265.09900	1.1
266.07874	1.3
267.04114	10.5
267.07718	5.5
268.04620	1.7
268.08344	1.9
269.09204	0.9
279.07544	0.8
280.04871	2.0
281.05777	1.4
281.09277	7.1
282.03024	1.4
282.06427	3.7
282.09204	0.8
283.07220	8.9
291.07703	1.3
293.05652	2.3
293.09409	1.9
294.06558	2.0
295.07245	7.1
299.06696	1.5
308.08047	1.1
309.08798	14.2
310.09250	1.4
315.09930	3.7
325.08298	1.2
326.10382	0.9
327.09909	1.3
327.22037	1.6
337.08261	9.3
341.11218	3.4
357.26596	0.7
369.10876	29.3
370.00626	0.6
370.11108	3.2
401.13495	100.0
402.13760	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	400.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52282	0.9
59.01379	8.9
61.98830	100.0
66.43474	1.0
69.34315	6.6
83.14758	0.8
114.22167	0.9
121.02937	2.6
123.27568	0.9
154.69255	1.1
157.13155	1.0
179.22284	0.9
315.42450	1.0
341.11252	1.0
401.08945	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	400.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.98830	100.0
69.79413	1.8
69.79826	1.9
76.41840	0.7
79.68559	0.7
89.87590	0.6
98.19868	0.6
121.03010	1.6
155.87564	0.7
205.74178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.94770	1.1
57.03446	6.9
59.01380	73.3
61.98808	3.1
69.36880	2.3
69.37288	7.3
71.01378	13.4
73.02948	3.4
83.01387	2.3
85.02949	9.1
87.00870	2.4
89.02454	8.1
96.96011	4.0
97.02926	1.6
98.19913	1.8
99.00918	2.0
99.04501	2.4
99.70998	1.3
101.02423	7.7
107.05041	11.0
113.02457	6.7
119.03522	3.0
121.02946	4.5
125.02460	1.5
134.03737	2.9
135.04489	3.0
145.83160	1.3
147.02914	1.6
161.02417	4.0
161.04578	3.7
165.09097	2.3
179.03503	100.0
179.10722	3.1
180.03845	4.3
191.02037	1.3
193.05011	1.7
195.05582	1.8
270.07724	2.2
284.84140	1.4
341.10791	3.3
352.98163	1.3
401.03918	3.4
401.10385	1.7
401.18033	3.0
422.28445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58876	1.1
55.01869	1.8
56.18296	1.1
57.03447	11.4
58.96416	1.0
59.01380	10.1
61.98826	14.3
68.99838	1.7
71.01385	4.7
72.71219	1.1
72.99310	1.4
73.02963	1.2
73.51392	1.0
74.99088	1.6
75.00890	1.0
78.95908	7.1
83.01370	2.8
84.02166	1.7
85.02952	93.7
86.03284	2.3
89.02424	1.2
96.96957	2.7
98.20272	7.4
101.02432	2.9
108.12457	1.1
111.00914	3.0
119.05054	3.2
123.04535	1.9
129.01950	8.0
133.02934	1.4
134.24760	1.1
135.04575	1.8
147.02982	4.7
151.04001	1.5
167.03581	1.0
171.57417	1.1
173.00922	1.9
191.01971	100.0
192.02301	4.1
203.67897	1.1
209.02892	1.4
223.04581	2.0
239.02222	2.7
246.30824	1.1
273.24008	1.0
303.76291	1.1
400.10010	2.9
401.10825	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38456	0.6
59.01379	100.0
60.01726	1.3
60.79085	0.6
61.98841	2.9
71.52396	0.9
73.62350	0.8
80.49524	0.7
85.02980	0.7
95.32608	0.7
95.34426	0.8
124.64509	0.8
125.09827	0.7
146.67696	0.7
159.87453	0.7
238.87633	0.7
252.13690	0.9
308.48242	0.7
384.89175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92781	1.2
57.03434	2.6
59.01378	7.4
61.98841	9.4
69.03445	1.8
70.76998	1.1
70.80782	1.0
71.01366	3.6
71.52359	1.7
76.28056	1.3
83.05014	1.8
85.02956	11.0
85.94763	1.3
89.02436	1.6
97.06620	3.4
97.53644	1.4
116.92830	1.5
119.04978	1.4
125.09655	1.5
127.11314	1.7
128.89633	1.5
137.09717	3.0
171.10294	19.5
183.13841	2.7
197.11826	2.9
198.85521	1.4
211.13391	18.3
213.12395	1.4
221.11858	2.3
228.39844	1.5
229.14470	9.4
239.12929	2.4
241.37402	1.3
291.19656	2.8
309.20639	1.5
327.21762	100.0
328.21915	8.9
340.32513	1.4
392.26108	1.6
399.19788	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37624	0.5
55.00163	0.6
57.03450	1.5
59.01379	100.0
60.01718	1.0
61.98832	2.9
68.01398	0.6
69.33836	4.1
71.01398	2.9
72.99287	1.0
73.02942	1.3
75.00888	0.6
78.18152	0.6
80.96438	0.6
85.02950	8.1
97.55053	0.6
101.02477	2.8
105.03286	0.7
110.77911	0.6
113.02477	1.3
129.01987	2.5
147.03014	2.6
161.02516	1.4
161.04594	2.1
166.50078	0.6
173.00977	1.0
207.01154	0.9
230.97148	0.6
250.14091	0.6
251.11290	3.3
399.20438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70079	1.2
57.03440	2.1
59.01367	2.1
61.98825	2.0
63.86808	1.3
66.69369	1.1
67.57928	1.4
70.56976	3.8
71.01360	1.7
71.05011	1.5
73.02960	3.1
78.06350	1.2
97.06641	1.6
98.03772	1.8
99.08119	1.6
102.79250	1.2
112.38087	1.5
115.07623	3.1
125.09730	2.0
125.57487	1.2
127.07635	2.7
129.09225	29.4
141.09232	11.0
141.12845	2.2
155.10774	12.8
171.10265	10.1
185.11821	43.4
186.12245	2.1
197.11836	39.3
198.12169	2.2
209.11871	6.6
212.71094	1.3
273.18527	1.6
291.19656	14.6
292.20184	1.5
309.20715	40.7
310.21094	2.8
327.21756	100.0
328.22180	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	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39814	0.4
57.03448	34.4
59.01374	17.1
61.98820	1.2
65.03977	0.5
71.01383	7.6
71.52063	0.6
72.99306	1.0
73.02953	3.1
75.00877	0.8
81.03461	0.8
82.86493	0.5
83.01390	2.0
83.04969	0.6
85.02948	10.6
87.00876	1.0
88.98797	1.9
89.02431	1.0
93.03458	100.0
94.03798	3.4
95.01388	0.5
96.96022	3.8
99.00868	0.9
99.04517	27.8
100.04856	0.7
101.02443	11.0
111.00863	0.7
113.02456	2.3
120.99654	0.6
123.04580	0.6
125.02450	13.5
129.01952	2.1
134.03726	0.7
135.04547	1.2
143.03473	1.6
147.02989	1.5
147.04449	0.5
152.99576	0.5
161.02481	1.3
161.04546	5.8
171.10269	1.1
173.00922	0.5
191.01967	1.8
193.05058	0.5
203.05609	1.8
205.03529	0.6
225.07594	0.5
235.94762	0.5
240.25778	0.5
243.08682	1.3
251.11285	4.2
254.51440	0.4
255.08746	1.3
297.09875	2.2
315.07648	2.8
315.10684	0.5
337.05713	0.7
345.81046	0.5
373.70523	0.4
399.13184	3.3
399.17740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77010	1.8
55.01875	2.3
57.03426	4.1
58.00580	3.0
59.01379	81.4
62.58982	1.8
69.13194	8.3
69.13625	9.8
71.01379	66.3
72.99320	4.3
73.02949	10.3
83.01398	7.2
83.05033	4.4
85.02951	28.5
87.00902	2.5
89.02438	40.6
92.63008	1.7
93.07096	3.2
95.01388	3.8
95.78933	1.8
98.19913	3.1
99.00888	5.1
101.02444	45.1
113.02440	22.7
119.03506	16.1
121.03003	7.0
125.02502	2.6
129.01949	5.8
129.39755	1.9
131.91815	1.8
133.02936	10.2
133.10242	5.1
134.03761	4.6
135.04539	4.6
138.67169	1.7
143.03525	5.4
145.06636	6.8
157.10257	1.8
159.03011	3.2
159.08145	4.7
160.07603	3.1
160.08926	50.5
160.10185	3.4
161.02469	32.8
161.04523	23.9
161.09344	3.4
164.94328	1.7
165.96637	1.9
173.00896	4.8
173.09760	8.5
175.11270	89.2
176.11633	5.3
179.05713	1.9
193.05029	2.2
219.10240	100.0
220.10669	5.3
248.17506	1.9
251.05745	3.1
251.11354	88.1
251.81470	2.4
252.11775	3.9
364.42218	1.9
399.16748	66.8
400.17065	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	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.9
57.03451	7.5
58.00597	1.6
58.41351	1.3
59.01378	50.5
69.57204	1.8
69.57610	3.8
71.01381	54.3
72.99329	5.4
73.02946	10.3
75.00863	1.8
83.01385	19.9
84.02174	1.6
85.02947	50.4
87.00854	3.0
89.02440	18.9
95.01397	3.7
96.96020	1.5
98.19902	2.0
99.00868	9.8
101.01794	2.4
101.02437	33.0
104.00608	1.2
109.02979	2.0
111.00891	13.5
113.01711	1.5
113.02447	15.6
115.00375	3.6
115.71078	1.1
117.03444	4.5
119.03492	5.1
121.02963	7.4
125.02422	2.8
129.01938	24.7
132.02191	1.5
133.01437	2.3
133.02957	26.5
134.03740	35.0
135.04544	8.0
137.02412	2.4
139.26207	1.1
143.03477	14.1
147.02962	1.9
149.06064	3.6
154.99828	4.6
159.02948	3.8
160.01662	2.1
161.02440	73.6
161.04482	21.0
162.02928	1.7
173.00903	23.0
175.04036	5.8
175.11249	2.1
178.02692	1.4
179.03531	5.7
179.05588	1.9
187.02452	1.4
191.01970	12.4
193.05035	34.7
193.06818	2.0
194.05344	1.8
205.03545	3.6
207.06694	1.2
219.02943	2.1
219.10243	1.7
223.04575	12.2
233.08296	1.6
251.05847	5.9
251.11337	100.0
252.11679	5.9
261.07629	5.9
300.36227	1.1
335.04172	1.8
349.05643	3.5
367.06653	4.8
399.12839	5.4
399.97931	1.2
400.16818	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.9
60.99308	12.6
66.67464	0.7
69.16954	0.6
70.91393	1.5
71.01382	3.3
72.99307	1.3
73.02940	5.1
78.95909	2.3
85.02947	1.9
88.98807	100.0
89.02460	1.1
96.96020	5.8
96.96970	2.6
98.20222	1.1
99.00916	0.8
101.02429	1.3
103.00425	0.7
103.92014	1.7
105.67839	0.7
117.01196	1.1
117.01945	9.9
129.01923	0.8
147.02953	1.1
174.46631	0.7
309.11917	8.3
310.12213	0.7
399.05295	1.0
399.10349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.4
55.13685	1.4
57.03446	10.5
58.00572	1.2
59.01378	57.5
70.06465	1.2
71.01379	60.1
71.26771	1.2
72.46124	1.2
72.99306	6.7
73.02947	15.3
73.29838	1.1
75.00875	2.2
83.00922	2.1
83.01386	25.9
85.02951	60.4
87.00880	3.2
89.02442	18.6
89.03965	1.6
95.01399	2.8
96.96068	1.7
98.20693	2.2
98.95586	2.8
99.00879	12.0
101.01807	2.3
101.02444	38.9
103.00383	1.6
111.00867	14.3
113.02448	18.5
115.00369	4.8
115.03962	1.7
117.03469	4.8
119.03476	5.6
121.02971	7.8
125.02420	4.0
129.01935	30.5
130.02296	1.5
132.02176	1.4
133.01451	2.7
133.02956	26.0
134.03741	38.9
135.04541	8.8
137.02464	3.0
143.03496	14.0
147.03056	2.2
147.04436	1.7
149.06039	5.7
154.99866	6.3
159.02969	4.9
160.01630	3.9
161.02448	79.1
161.04494	33.8
162.02759	5.1
173.00916	28.3
175.03972	7.7
175.11275	2.4
178.02663	2.8
178.92679	1.8
179.03540	7.1
179.05556	1.4
191.01988	11.3
193.05045	37.4
194.05267	2.1
205.03487	6.2
219.02966	1.7
223.04590	10.4
233.08026	2.8
251.05609	4.7
251.11342	100.0
252.11630	6.7
261.07657	5.8
335.03757	2.3
335.33105	1.6
367.06787	6.2
399.08591	2.2
399.13025	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90420	0.7
55.01877	5.2
55.72209	0.7
57.03451	17.3
59.01385	1.3
67.01884	1.8
69.89854	3.4
70.32073	0.8
71.01379	5.6
72.99302	1.7
73.02947	2.7
75.00862	0.8
83.01385	10.2
84.02165	2.2
85.02949	100.0
86.03284	2.2
98.19913	1.2
101.02434	5.0
103.04016	0.9
111.00879	32.5
112.01225	1.1
117.03486	0.6
129.01939	43.5
130.02248	1.3
134.03746	10.6
136.42282	0.7
149.06107	0.9
161.04553	2.6
166.50488	0.7
175.04077	0.9
177.04033	0.7
178.02626	1.3
179.05688	1.0
187.02461	2.2
193.05045	9.0
205.03519	28.2
205.54488	0.7
206.03816	0.8
214.22052	0.7
223.04585	18.4
399.09384	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
57.03451	14.2
59.01373	5.4
61.98824	4.1
68.99819	1.2
70.39472	3.4
71.01381	6.4
72.99313	1.5
73.02961	2.1
74.78626	0.9
75.00879	2.7
78.63898	0.8
80.84118	1.1
83.01390	7.6
84.02172	1.8
85.02950	76.6
87.00900	1.7
99.00852	1.1
101.02445	7.3
111.00882	34.0
117.03469	1.0
122.23978	1.0
129.01952	29.0
134.03732	14.1
138.64250	0.9
147.02975	3.1
149.76895	0.9
160.01651	1.0
161.04529	2.1
166.63657	0.9
173.67834	0.9
177.99065	1.4
187.02484	2.3
193.05077	7.5
205.03528	30.6
205.98575	16.4
206.03917	1.3
206.17862	1.0
206.99239	5.1
221.00882	16.0
222.01718	8.4
223.04581	100.0
224.04884	3.5
237.03970	7.1
271.06802	0.9
277.51694	0.9
331.16898	1.2
340.63434	1.1
384.06995	2.2
399.09390	10.8
400.09479	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	397.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33497	2.1
55.61866	2.0
59.01381	100.0
61.98836	2.4
63.46783	2.0
70.57388	3.4
70.57717	3.4
70.71693	2.3
71.05019	4.8
98.25948	2.1
138.18649	2.2
145.90239	2.2
174.55406	2.1
183.61145	2.2
208.45436	2.2
371.02869	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	397.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25891	0.2
57.03435	0.4
57.23006	0.3
59.01378	6.1
61.98827	1.6
69.40166	1.8
71.01383	0.7
75.00848	0.3
79.95753	1.3
85.02942	0.8
96.96008	100.0
97.06598	0.3
97.95947	0.4
98.20169	1.0
113.02409	0.3
113.09722	0.5
114.34061	0.3
127.11305	0.4
128.08583	0.3
131.95793	0.3
144.71007	0.3
145.02985	0.3
148.36285	0.3
162.12904	0.2
180.09967	0.3
213.05415	0.3
219.45793	0.2
237.15001	0.5
237.18576	2.1
239.16481	2.2
253.17725	0.3
255.19653	10.5
256.19971	1.0
257.17584	24.9
258.17981	1.8
274.42197	0.2
299.18640	2.9
317.19659	17.2
318.19998	1.6
335.15332	4.6
337.13232	3.8
338.13574	0.3
361.18756	0.6
371.42810	0.3
397.15329	73.0
398.15625	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	397.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49966	1.2
57.03427	2.1
69.29173	11.9
71.00211	1.3
71.01373	5.9
72.02165	2.3
83.05029	3.3
84.02148	2.5
87.38844	1.3
97.06577	1.8
99.08150	3.9
109.06570	2.5
115.07617	2.2
125.09708	4.8
127.07648	16.5
139.07614	3.8
153.09207	9.6
155.10760	4.0
163.11252	3.1
171.10243	7.6
178.09920	3.7
185.11813	17.4
191.10847	2.1
191.14380	2.7
197.11824	15.9
209.11821	68.4
210.12177	2.4
236.10492	1.9
238.12143	10.4
245.19012	2.7
256.13098	2.9
279.19418	1.9
289.18063	12.1
307.19131	100.0
308.19550	8.9
312.27780	1.2
325.20206	31.8
326.20657	2.4
371.49490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.5
60.48245	1.9
61.98826	10.4
68.52993	2.0
71.51675	1.7
78.95904	100.0
99.13334	2.0
101.48148	1.8
107.55595	1.7
125.06069	5.0
157.83298	1.9
170.17860	1.8
253.14417	2.7
254.15202	3.6
291.19812	2.1
323.22253	20.1
396.25150	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97394	4.2
57.03464	5.4
59.01366	12.1
61.98821	9.7
69.02621	4.2
69.03439	5.8
69.93276	22.8
78.95891	18.0
95.04996	5.2
96.95969	5.2
97.02940	8.8
97.06633	5.1
123.08189	8.3
125.09720	42.6
127.07642	4.4
129.69850	4.2
147.24521	4.6
154.87460	5.1
163.11307	41.4
165.09186	19.9
181.12343	20.8
207.10228	13.6
208.10495	4.7
239.12883	9.7
257.80585	5.1
291.19678	64.1
292.19974	6.1
305.21259	10.3
318.20584	4.7
323.22260	100.0
324.22806	7.4
391.22137	4.8
395.15030	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	395.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.6
61.98837	10.1
66.43499	6.8
75.00883	66.2
93.84243	5.8
97.02950	8.3
98.20672	13.4
103.00372	65.4
111.00883	6.8
123.00843	7.6
124.85999	7.2
125.09715	53.7
138.03329	6.5
143.16045	5.4
163.11259	17.4
165.09192	15.6
181.12393	13.9
191.10814	8.9
193.08699	16.7
207.10341	13.5
209.11798	8.9
225.11310	10.7
229.04945	7.7
239.12770	7.1
244.39407	7.1
253.10687	6.5
291.19748	43.8
301.18063	10.2
307.41345	6.1
319.19061	18.3
323.22153	20.5
335.18539	15.8
363.18115	100.0
364.18585	14.1
407.36200	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	395.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40728	0.8
55.01870	1.7
57.03448	100.0
58.03772	1.3
59.01379	78.1
60.01694	1.1
71.01383	17.2
71.33318	2.0
73.02940	5.6
83.01380	3.5
85.02943	10.0
89.02477	1.7
96.95980	2.5
99.00867	2.7
99.04518	80.9
100.04865	2.5
101.02437	30.4
113.02455	8.5
115.74541	0.9
125.02436	19.9
143.03465	1.9
161.04550	6.8
165.57188	0.9
179.03462	1.0
251.08928	1.8
251.11374	27.2
252.11609	2.1
252.94052	1.0
293.12524	3.0
333.15335	1.6
395.06464	1.0
395.15570	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
55.92621	0.8
57.03449	100.0
58.03767	0.9
59.01382	86.8
60.01699	1.2
61.98822	3.5
69.76173	4.0
71.01011	1.5
71.01380	18.9
73.02954	7.7
79.95731	1.0
81.03429	1.2
83.01395	4.7
85.02950	12.7
87.00878	2.5
89.02457	5.7
95.01353	1.2
96.96025	5.5
97.02944	1.2
98.20013	1.6
98.20628	1.7
99.00877	3.8
99.04520	83.4
100.04865	3.7
101.02441	38.2
101.06081	6.1
102.02792	1.0
105.37816	0.8
112.98797	3.2
113.02444	9.9
125.02450	24.7
126.02711	0.8
131.03490	1.4
143.03517	3.4
149.04523	1.5
159.03038	1.3
161.04536	8.8
167.03523	1.4
186.59898	0.9
194.02200	1.3
209.04594	4.2
251.11357	30.3
252.11681	2.1
293.08853	1.6
293.12421	3.3
332.13162	0.9
333.15356	1.5
395.06265	2.4
395.15585	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	394.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.7
61.98831	100.0
65.00328	5.3
83.01349	2.6
85.02948	3.4
87.82328	1.4
94.92461	1.4
96.70763	1.5
96.96003	2.1
107.01381	7.9
125.09690	1.6
130.83479	1.6
131.53560	1.8
151.00369	68.2
152.00676	2.8
153.40463	1.7
178.99849	6.9
211.02477	52.0
212.02733	2.6
239.92975	1.5
277.12714	1.7
331.04858	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	395.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08373	0.2
57.03432	0.3
57.25676	0.3
59.01380	26.3
60.01724	0.5
60.22333	0.3
61.98829	5.4
69.44208	1.8
71.01373	1.3
71.37844	0.3
71.38257	0.2
72.99303	0.3
73.02942	0.5
79.95732	1.8
80.49119	0.2
80.96519	0.4
83.05055	0.3
85.02946	1.2
85.06694	0.2
89.02451	0.7
90.85992	0.2
96.96012	100.0
98.20444	0.7
99.59079	0.3
101.02433	0.8
103.04017	0.3
120.99635	1.2
122.52658	0.2
125.09730	0.3
126.90522	2.5
129.09210	0.9
150.05576	0.3
161.02538	0.3
189.15031	0.3
211.17026	0.6
253.17953	0.5
255.16037	2.6
297.17099	0.4
298.60870	0.2
315.18124	5.3
316.18533	0.4
324.08911	0.3
333.09811	0.4
333.13776	7.5
334.14301	0.7
335.11694	5.2
335.20706	6.2
336.11981	0.7
336.21136	0.8
351.14255	0.4
395.13757	68.3
396.14093	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	393.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21368	44.9
58.19794	42.7
58.54901	41.7
61.98816	82.9
70.63235	100.0
70.63605	94.7
91.03522	39.9
102.00508	40.3
110.71715	44.6
121.56255	42.1
123.10480	41.8
141.62105	46.8
158.31889	43.8
169.89897	42.1
190.24533	44.7
303.74384	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01698	1.1
60.76402	0.9
61.98828	7.2
70.42177	3.1
71.01357	1.1
74.87238	0.8
79.95744	1.7
83.05025	1.2
85.02959	2.3
96.95997	3.2
107.05040	1.1
109.06569	2.2
141.33902	0.9
147.08185	1.1
149.09853	1.1
151.00343	2.7
161.09642	1.0
167.03938	0.9
191.10815	1.0
211.02400	1.9
215.27321	1.0
226.57253	0.9
257.15451	3.9
286.84290	0.9
304.25476	1.0
320.93567	0.9
332.27979	0.9
393.19553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02556	0.3
55.01870	0.7
55.21374	0.3
56.52847	0.4
57.03448	4.5
58.00595	0.7
59.01379	100.0
60.01702	2.1
61.01791	0.5
61.33967	0.4
61.76969	0.3
61.98830	9.4
71.01383	15.3
71.22713	0.6
72.99323	1.0
73.02955	4.2
81.03452	0.4
82.17396	0.4
83.01385	2.4
85.02945	8.2
87.00886	1.9
89.02448	8.5
95.01413	1.5
96.96021	1.2
99.00919	1.5
99.04514	2.9
101.02446	9.8
111.00885	0.9
111.08161	0.5
113.02454	9.8
115.07685	0.4
119.03518	3.2
122.91705	0.4
125.02488	1.7
129.01959	0.7
131.03539	0.6
135.04521	0.4
136.59604	0.4
143.03528	1.3
143.10863	0.5
149.02429	0.5
149.04573	0.8
150.03200	0.4
152.68451	0.4
153.09280	0.8
159.03053	0.8
161.04559	2.4
165.05623	0.5
166.56219	0.4
171.10254	4.6
182.02190	0.7
189.14966	3.6
191.01993	0.5
195.06628	1.4
197.04533	0.9
203.08411	0.3
231.12492	1.2
249.13567	0.5
305.30896	0.4
333.19171	14.0
334.19638	1.6
351.20218	17.9
352.20816	1.4
393.04880	0.4
393.12909	3.5
393.21402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
56.78729	0.3
57.03449	2.8
58.00591	0.7
59.01379	100.0
59.17081	0.3
59.58908	0.3
60.01710	1.7
61.01801	0.3
61.98838	4.6
69.50552	0.6
69.50954	1.2
71.01382	14.6
71.04993	0.4
72.01706	0.3
72.99313	1.1
73.02941	3.9
83.01377	2.1
85.01192	0.3
85.02948	7.5
86.03266	0.4
87.00887	1.2
89.02442	8.4
95.01403	1.6
96.96007	0.7
97.02921	0.4
99.00897	1.2
99.04519	1.0
101.02444	10.6
111.00889	0.5
113.02451	10.3
114.02811	0.5
115.07657	0.7
119.03503	2.6
121.02964	0.5
125.02374	0.8
129.01944	0.5
131.03537	1.1
136.10803	0.3
143.03517	0.9
143.10806	0.4
149.04558	0.8
150.03259	0.8
153.09242	0.7
159.03029	0.3
161.04549	2.3
165.05562	0.7
171.10265	4.4
179.05786	0.4
182.02194	0.6
189.14966	4.2
192.66023	0.3
195.06534	1.5
197.04591	0.8
207.73935	0.3
231.12335	0.6
233.58327	0.3
241.00169	0.3
279.16226	0.4
333.15042	0.6
333.19165	18.3
334.19452	2.0
351.20209	21.9
351.61572	0.4
352.20612	1.8
393.12601	1.7
393.21414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03448	100.0
57.46410	0.6
58.03780	1.3
59.01379	84.6
60.01717	0.9
61.98828	2.5
69.42821	0.7
70.65812	2.0
71.01379	15.6
72.96053	0.6
73.02953	6.4
73.89722	0.6
81.03458	1.1
83.01384	4.4
85.02940	8.8
87.00891	1.2
89.02452	2.0
95.01402	1.1
99.00893	3.6
99.04517	74.9
100.04876	1.5
101.02443	36.3
102.02742	0.8
110.04990	0.7
111.00924	0.6
113.02453	6.3
121.03008	1.1
122.03758	1.2
125.02448	21.1
129.01913	0.6
135.62924	0.6
143.03517	2.4
144.09442	0.7
149.02475	2.0
150.03214	8.1
159.03035	1.1
161.04556	6.1
165.05566	8.6
165.06738	0.8
166.99869	1.3
182.02255	3.0
195.06615	4.9
197.04546	6.9
249.13409	32.5
250.13867	1.4
253.15710	0.8
291.14554	3.3
331.17664	1.7
333.19305	1.5
375.01874	0.7
393.17554	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03450	100.0
58.03801	1.3
59.01381	69.1
61.48581	0.9
64.10685	0.9
66.40440	0.9
69.56384	3.8
69.56812	3.6
71.01381	10.0
73.02951	7.0
73.21822	1.3
83.01385	3.4
85.02944	9.2
87.00853	1.3
89.02467	1.2
95.01369	1.2
99.00863	2.9
99.04520	72.0
100.04852	2.2
100.52083	1.0
101.01808	2.1
101.02449	36.5
111.26704	1.0
113.02452	6.2
118.20043	1.1
119.45995	1.0
120.72048	1.0
125.02454	19.1
143.03513	2.4
161.04570	5.1
199.28699	1.1
249.13420	30.3
250.07567	1.2
291.14465	2.4
347.11392	1.3
393.17731	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03449	100.0
58.03782	1.4
59.01379	74.8
59.17609	0.5
60.01720	0.6
61.52701	0.5
69.41872	1.3
69.42294	2.6
71.01377	10.7
72.99302	0.9
73.02949	6.9
81.03464	1.2
83.01381	4.1
85.02954	6.0
89.02445	1.5
95.01392	1.3
97.02974	0.6
99.00881	2.4
99.04519	72.7
100.04859	2.1
101.02444	33.3
102.02783	0.7
113.02452	5.8
125.02448	20.1
143.03494	2.1
159.02977	1.3
161.04555	5.5
174.24367	0.5
237.23540	0.5
249.13420	30.7
250.13753	2.0
264.23447	0.5
275.83960	0.6
291.14481	3.9
331.17502	1.5
393.17725	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	393.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93658	0.7
55.01881	0.9
57.03450	21.8
58.00596	1.1
58.03806	0.8
59.01379	100.0
60.01724	1.7
61.01804	1.1
61.26051	0.8
61.98830	28.4
71.01382	15.8
71.52338	1.1
72.81220	0.7
72.99310	1.8
73.02958	4.9
75.98561	0.7
76.03036	0.8
83.01386	2.5
85.02942	11.1
87.00885	0.9
89.02448	7.2
95.01385	1.6
96.96002	1.7
99.00887	1.7
99.04520	18.8
101.02438	14.4
103.02242	1.0
113.02460	9.9
114.87175	0.8
119.03488	2.4
125.02442	6.2
141.07401	1.1
143.03479	1.3
147.02983	0.9
153.09274	1.0
161.04539	3.4
165.05585	1.2
168.50122	0.8
169.12468	0.8
171.10233	6.2
189.14964	4.5
231.12363	1.8
249.13429	3.9
277.71796	0.8
318.90683	0.9
333.19150	9.4
350.16251	1.1
351.20258	13.2
352.20587	1.8
393.12866	8.9
393.16858	1.2
394.12881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23049	3.5
54.77047	3.2
55.01871	4.5
55.78959	3.7
57.03455	5.7
59.01381	100.0
61.98835	27.0
69.82153	3.2
71.01379	33.4
71.51260	4.0
73.02949	7.5
74.00729	5.8
75.00868	3.6
79.95741	4.4
82.57406	3.2
83.01400	6.9
84.51060	3.4
85.02945	42.7
87.00871	6.5
89.02454	7.1
96.00954	5.3
96.96013	23.9
98.20158	4.3
99.92597	4.4
101.02453	16.9
101.66887	3.7
111.00846	4.3
113.02472	9.0
115.00344	4.1
120.37877	3.1
127.05130	5.9
132.03038	4.0
134.03696	6.0
135.04492	5.7
147.03014	5.1
161.04643	3.8
166.29539	3.4
191.01988	7.7
197.04465	3.3
209.02885	4.9
249.16753	3.1
261.13351	11.7
291.01062	3.1
333.15482	6.6
378.16507	22.9
393.08466	11.7
393.12988	47.2
393.17496	12.3
393.21722	4.6
398.24170	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	393.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
59.01381	15.7
61.98843	2.4
67.75082	0.7
69.26469	5.6
71.01382	3.9
83.01388	0.8
85.02978	2.9
85.80746	0.6
89.00337	1.0
89.02464	1.4
93.03484	2.3
95.01431	3.2
96.96023	1.0
101.02459	2.8
105.03483	0.9
109.32948	0.7
113.02478	1.2
119.03503	0.6
121.02948	15.5
122.03751	11.9
123.00887	13.6
124.01659	0.7
133.02951	1.7
136.01686	1.0
138.03218	6.5
149.02441	22.0
150.03223	85.4
150.55379	0.7
151.03590	4.2
153.05568	9.4
161.04590	0.7
164.04787	3.8
165.05562	100.0
166.05893	4.8
166.99843	13.1
180.04308	6.9
181.04916	0.9
182.02206	33.2
183.02513	1.7
195.06621	52.3
196.06917	2.8
197.04543	68.3
198.04935	3.4
208.20345	0.7
211.03952	1.1
247.07170	1.4
254.05707	0.9
286.08328	1.1
333.19025	1.3
345.09705	6.6
351.20090	2.5
393.11975	3.5
393.17383	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	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
61.98832	100.0
62.05434	1.1
62.35244	1.0
67.78738	0.9
78.95904	3.9
85.02956	1.8
98.19866	2.2
101.17973	1.0
109.56288	1.0
114.04842	1.0
118.78931	1.0
119.05022	3.2
139.63203	1.2
255.08888	1.6
275.34229	1.0
393.19308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.9
59.01376	15.4
70.26525	2.0
70.26879	1.4
71.01375	2.1
72.37688	0.7
72.38112	0.6
72.99298	0.8
75.00852	1.0
75.27641	0.6
77.52169	0.7
85.02963	2.3
88.98798	0.8
89.00349	0.7
89.02455	1.1
93.03460	3.0
95.01387	2.7
99.04514	5.9
99.92595	1.3
101.02426	4.3
106.00623	1.4
108.21518	0.7
113.02461	1.2
113.11416	0.6
115.92063	2.9
116.01736	0.9
116.92871	1.1
119.05070	0.9
121.02164	1.3
121.02953	13.6
122.03748	12.8
123.00898	12.9
125.02431	2.3
130.84166	0.8
133.02945	1.1
135.02998	2.0
136.01675	1.2
137.02406	2.0
138.03244	5.7
149.02431	17.0
150.03217	86.9
151.03503	4.5
153.05569	9.9
164.04782	3.0
165.05559	100.0
166.05911	4.8
166.99835	14.3
176.04639	0.7
180.04291	7.5
182.02193	37.2
183.02542	1.7
183.66345	0.8
195.06616	55.6
196.06963	3.4
197.04541	75.8
198.04919	4.3
249.13423	3.6
257.08481	0.8
393.11804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01374	8.2
61.98830	100.0
70.06116	0.5
70.25083	1.3
70.25468	1.1
78.95924	0.6
96.15562	0.5
96.95997	0.5
115.56736	0.5
135.58789	0.5
153.46750	0.5
255.09061	0.6
392.14453	0.9
393.18805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1497
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
57.03441	5.3
58.02974	12.6
59.01376	24.5
60.47514	1.7
61.98830	14.7
71.01375	8.0
71.50808	3.1
72.99297	5.2
74.02471	34.0
82.02985	3.8
83.01403	2.6
85.02950	23.5
86.02473	11.3
86.03292	2.2
86.06154	2.1
86.26303	1.7
87.05632	6.7
89.02451	4.9
96.96014	4.6
96.97006	2.3
99.05641	22.6
101.02458	4.7
101.07203	3.7
102.05618	3.9
103.44695	1.7
109.02946	3.1
109.04092	4.3
109.07749	2.3
111.00884	3.4
111.05674	2.6
112.04021	4.0
113.62909	1.8
119.05381	20.7
123.05595	1.9
125.03588	6.2
127.05135	5.4
128.03543	76.7
129.01996	2.7
132.31500	1.9
135.05617	6.3
141.06673	3.1
143.04620	100.0
144.04932	2.1
145.06168	4.7
146.04593	10.5
147.02983	1.9
153.06720	5.7
155.08168	2.2
166.09863	3.5
167.04655	3.2
167.08296	5.7
170.03296	3.3
179.04654	22.5
181.06268	3.2
185.05652	3.1
191.01979	6.8
192.07838	4.1
197.05661	4.2
209.03064	3.1
210.08850	20.3
220.26205	1.9
228.09988	2.3
254.07820	52.9
255.08270	3.5
263.10757	5.1
272.08862	49.9
273.09232	2.9
287.44724	1.8
374.13977	13.6
392.14978	94.5
393.14767	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91589	0.3
57.03461	0.4
57.78853	0.4
59.01381	100.0
60.01727	1.2
61.65304	0.3
61.98836	2.1
63.41998	0.4
70.37087	0.7
70.37486	0.8
71.01387	0.8
71.56695	0.4
77.37947	0.3
78.95923	0.9
83.94196	0.4
85.02980	0.7
89.78530	0.3
96.40380	0.3
115.05183	0.4
124.39148	0.4
156.60086	0.4
255.08879	0.9
277.60468	0.3
346.05698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	21.4
59.01379	100.0
60.01714	1.2
61.98837	7.7
63.96244	1.8
65.00325	0.8
69.37829	0.4
70.07018	1.6
70.37374	0.4
71.01385	7.3
72.99315	2.0
73.02946	2.0
73.98309	0.5
78.95899	0.5
83.01394	1.9
85.02950	7.5
85.16062	0.4
87.00915	0.7
87.16028	0.4
89.02447	4.5
96.96013	1.2
99.00900	2.0
99.04522	17.3
100.04851	0.7
101.02451	8.6
105.01093	0.4
107.01377	0.9
112.38859	0.4
113.02458	3.7
117.97346	1.2
119.03520	1.3
119.04961	0.6
121.02982	0.5
125.02456	5.9
129.01936	0.8
135.04579	0.8
135.98373	7.4
137.97932	0.7
143.03563	1.1
145.02951	1.0
147.03030	0.7
151.00328	2.2
161.02478	0.7
161.04573	3.9
161.05994	0.9
175.19942	0.5
179.03622	0.6
179.05620	0.8
185.06145	1.3
191.01988	1.6
205.03345	0.5
211.13380	1.0
229.05064	11.1
247.11769	2.1
271.08481	0.8
331.17636	6.9
332.18036	0.5
391.12515	0.7
391.19641	4.1
392.20337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51244	0.8
55.01875	0.8
57.03447	97.0
58.00605	0.7
58.03780	1.4
59.01378	100.0
59.79256	0.6
60.01707	1.1
61.98830	0.9
69.37939	0.9
69.38345	4.5
71.01382	18.9
72.99300	1.2
73.02942	7.4
76.55454	0.6
78.59873	0.8
78.95901	0.7
81.03449	1.3
83.01381	3.1
85.02950	8.5
87.00827	1.2
89.02446	15.2
95.01378	1.1
95.57161	0.7
96.99986	0.7
98.19870	1.1
98.20536	2.3
99.00873	1.6
99.04517	78.4
100.04843	2.2
101.02438	33.6
106.06638	1.2
113.02460	7.9
116.01700	0.9
119.03493	5.8
125.02447	21.7
126.02746	1.1
129.01871	0.9
143.03482	3.5
150.05495	1.0
161.04556	5.2
175.37018	0.6
179.05508	2.5
183.08151	0.6
194.63007	0.6
247.11856	14.6
248.12051	1.0
289.12610	1.8
331.17242	1.9
349.18292	1.3
356.09491	0.8
359.91937	0.7
391.15601	4.4
391.20123	1.3
392.15906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03311	0.8
57.03448	100.0
58.00596	0.9
58.03786	1.4
59.01380	79.2
60.01717	0.8
68.46587	0.8
69.42062	6.2
71.01382	20.2
71.01775	1.0
72.99287	1.0
73.02949	8.7
80.53082	0.8
81.03443	1.4
83.01396	3.5
84.90482	0.7
85.02961	3.8
85.39739	0.9
89.02446	22.4
89.06153	0.8
98.20478	2.7
99.04518	77.1
100.04873	1.6
100.54779	0.8
101.02447	31.3
112.56509	0.8
113.02457	9.7
119.03510	7.6
123.04531	2.3
125.02446	19.4
127.04095	0.8
131.03517	1.1
143.03481	3.4
149.04547	2.3
160.93866	0.8
161.04599	4.5
179.05588	7.0
201.48152	0.8
247.12000	4.4
289.12665	1.0
391.16159	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	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03447	76.3
58.03787	0.8
59.01378	100.0
60.01723	1.2
60.84797	0.7
61.98826	3.1
69.29105	4.1
69.29508	2.1
71.01378	20.2
72.99315	1.6
73.02936	5.2
75.70319	0.7
78.95895	1.0
81.03463	1.4
83.01397	3.3
85.02949	15.1
86.03292	0.9
87.00882	1.6
89.02431	5.9
95.01397	1.7
96.96036	1.6
97.02975	0.8
99.00344	0.7
99.00843	3.6
99.04515	60.5
99.92591	2.7
100.04879	0.8
101.02442	26.8
107.01403	1.2
113.02459	8.2
117.60237	0.8
119.03497	2.2
119.05016	0.8
121.02995	1.0
125.02441	16.2
126.02795	1.0
126.90419	0.8
129.01996	1.1
133.02881	1.0
135.04539	3.3
135.56891	0.7
135.98386	3.1
143.03503	3.7
145.03026	1.4
151.00386	2.6
159.02960	1.9
161.02449	16.0
161.04504	9.6
162.02798	1.3
163.04039	0.9
166.60789	0.8
179.05670	0.8
191.01979	2.2
193.05016	7.4
193.06570	0.8
202.32388	0.8
211.13391	1.1
215.95285	1.2
216.96030	2.3
229.05060	9.5
229.14377	4.2
244.07416	0.9
244.95486	1.6
247.11827	16.3
248.12230	1.4
257.06897	1.0
271.08350	5.6
289.13031	2.8
329.16208	1.4
331.17633	2.9
355.10315	3.9
372.96677	3.2
391.11652	3.5
391.16455	4.1
391.20593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.9648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	84.4
61.98828	12.6
69.89043	4.0
70.38549	0.8
73.86787	0.7
78.95879	0.8
90.97144	1.3
99.07828	0.8
99.92603	2.1
103.92036	0.8
109.33575	0.8
115.92091	1.2
115.92842	0.9
116.76072	0.9
116.92819	0.9
118.96497	0.9
122.89420	3.8
124.89136	2.0
132.98190	2.2
134.89407	1.5
168.88741	1.0
174.99243	22.6
185.91946	0.9
186.89728	3.7
188.89520	1.9
211.90610	1.0
213.90279	1.8
214.87990	2.4
216.87708	1.3
217.00282	100.0
218.00659	4.7
232.97479	1.9
260.90213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95163	0.9
59.01382	5.2
61.98830	100.0
62.60626	0.9
72.98278	1.1
98.20770	1.8
106.34708	1.1
168.00807	0.9
181.90173	1.0
305.85599	1.1
312.48282	1.2
391.54083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40566	0.8
59.01377	4.1
61.98830	100.0
65.64423	0.9
68.72977	0.8
69.84743	1.9
69.85114	4.6
76.08421	1.0
96.96024	2.2
99.92573	1.2
127.00414	1.1
138.07542	1.0
153.26912	0.9
200.88356	1.1
207.32095	1.0
312.91922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98830	100.0
67.18344	0.5
70.63828	0.6
70.64154	1.2
80.81976	0.6
81.24202	0.5
97.21840	0.5
122.16444	0.6
162.87943	0.5
165.30991	0.6
226.17461	0.5
238.30351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87557	0.4
59.01377	1.3
61.98829	100.0
63.15069	0.3
78.95904	1.1
84.05882	0.3
84.13554	0.4
85.02971	0.5
92.28500	0.3
99.92542	0.4
229.92636	0.5
282.80591	0.5
312.39301	0.3
327.21884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64690	0.8
59.01379	9.6
61.98832	100.0
63.56858	0.8
71.01373	1.5
71.44401	1.1
71.52985	0.8
76.02441	0.8
80.96525	1.5
85.02936	1.6
85.06087	0.8
91.64623	0.8
102.66185	0.8
113.02482	0.9
164.12997	1.0
231.10558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33620	0.5
58.48203	0.4
59.01352	0.5
61.98830	100.0
69.54045	3.3
71.20895	0.5
76.09621	0.4
79.95747	0.8
96.96009	0.5
98.20693	0.5
125.15589	0.4
128.04312	0.5
140.67389	0.4
203.10040	0.4
225.84830	0.5
235.68996	0.5
255.95844	0.5
390.16931	1.8
406.37247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26081	0.5
59.01379	100.0
60.01696	1.0
61.98847	1.2
62.76055	0.7
69.67791	2.6
158.42535	0.6
278.38269	0.6
315.35138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03448	14.4
58.03779	3.3
58.85185	0.7
59.01377	8.9
60.01706	0.9
69.44221	5.9
71.01381	3.5
72.99309	2.4
75.00883	1.8
78.95924	0.8
83.01385	2.7
84.02164	2.3
85.02950	100.0
86.03288	31.9
87.00869	1.8
96.96025	1.7
99.92594	4.4
100.93378	0.8
101.02480	1.0
103.00328	1.8
111.00875	3.8
112.01266	1.6
115.00439	0.9
115.92074	4.6
120.15518	0.8
121.02948	2.1
122.03283	1.4
124.88400	0.7
128.03557	2.1
129.01950	9.3
130.02267	4.5
134.03729	0.8
135.04527	1.1
136.40382	0.7
147.02991	11.4
148.03319	6.7
153.05540	1.1
154.05893	1.1
173.00943	1.5
174.01237	1.0
179.03500	1.3
191.01962	17.9
192.02309	10.1
193.02440	2.2
197.04579	1.7
198.04930	2.1
209.03011	8.7
210.03354	4.6
211.03558	1.3
219.94604	1.0
244.95445	1.0
246.89670	0.9
382.37543	0.7
389.76184	0.8
390.07547	3.0
390.12030	1.1
390.97400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64363	0.5
59.01378	9.7
60.99324	0.6
61.98831	100.0
71.01385	1.3
71.52441	0.7
79.95746	1.5
85.02960	1.3
86.89177	0.5
88.98815	2.5
96.96029	1.2
126.90476	1.0
130.53706	0.5
149.89587	0.6
192.88695	0.6
391.10455	0.9
391.18152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
61.98831	100.0
67.85673	0.9
70.81113	2.1
84.54631	0.7
94.61754	0.7
99.45251	0.7
132.05554	0.8
132.79355	0.7
146.21001	0.7
168.56787	0.8
182.00575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17027	1.1
58.05465	1.0
59.01378	100.0
59.34512	1.0
59.87411	1.0
98.20673	2.9
102.46416	1.1
104.30087	1.1
142.50743	1.3
171.65955	1.3
199.75536	1.4
204.53732	1.2
229.37764	1.2
292.63745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31501	1.7
57.03432	2.9
59.01380	100.0
61.98833	15.7
68.62565	1.5
70.47795	4.9
71.01379	6.6
72.99328	2.4
73.02957	4.8
85.02958	14.6
96.95988	2.8
98.20638	1.9
101.02444	3.9
109.02988	10.4
113.02438	2.0
113.80021	1.5
123.00849	2.5
126.23529	1.5
127.19839	1.5
129.01945	3.0
132.54582	1.5
136.01688	9.4
146.03748	3.1
147.02986	1.8
147.04527	3.0
151.04012	5.7
157.08717	2.4
159.04445	2.3
161.06084	2.6
171.10304	1.6
172.05246	2.4
175.04016	7.6
175.66370	1.5
176.04739	5.2
189.05579	5.4
190.06360	4.8
191.01886	2.6
191.07120	6.0
201.11359	2.1
224.92255	1.5
251.07234	4.0
267.06577	3.9
279.06570	9.3
293.08197	2.0
294.09079	4.2
297.07742	2.6
297.11154	3.1
309.10992	1.6
312.10043	16.9
327.12350	68.5
328.12631	6.0
347.20627	4.6
389.15698	3.0
389.25385	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	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97874	0.4
55.01885	0.9
55.22535	0.5
57.03455	3.9
59.01379	100.0
60.01719	1.2
61.98837	2.6
63.96232	1.6
71.01382	12.5
71.52120	0.8
72.99316	2.0
73.02937	5.1
74.99113	0.5
75.00874	0.5
76.64689	0.4
83.01398	2.0
84.02148	0.5
85.02947	23.9
89.02438	4.0
90.75471	0.5
95.01391	1.1
96.96024	1.6
97.02910	0.6
99.00899	1.9
99.04536	0.8
101.02437	9.8
103.00460	0.5
109.06617	0.8
111.00893	0.7
113.02457	5.3
117.97339	1.6
119.03506	1.1
121.03030	0.9
125.02419	0.7
129.01953	3.1
133.02962	1.3
135.04558	2.0
135.98351	7.7
136.05002	0.6
143.03497	1.0
147.02966	2.8
153.05510	0.5
159.03014	1.3
161.02483	1.2
161.04549	12.2
164.18826	0.4
171.00352	0.5
173.00967	2.0
177.05678	0.5
191.01961	5.0
196.98300	1.7
197.11757	0.5
209.03056	1.1
209.11774	2.4
214.99304	1.4
229.79442	0.5
241.68674	0.6
243.72784	0.5
247.06218	0.5
256.99649	0.9
297.62048	0.5
329.16043	22.0
330.16617	2.2
353.04962	0.5
389.18195	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48898	0.9
55.01875	2.0
57.03453	10.7
59.01379	85.4
60.01716	0.8
61.98818	3.1
69.52867	3.2
69.53278	1.8
71.01382	14.5
72.99294	3.8
73.02927	2.0
75.00858	1.2
83.01398	3.0
83.13390	0.7
84.02148	1.3
85.02950	100.0
86.03300	2.1
87.00901	1.2
88.98796	0.8
89.02438	11.6
95.01376	1.2
97.02991	1.0
99.00919	0.8
99.92567	1.1
101.02448	7.0
103.00375	1.0
109.02940	4.8
110.04970	0.8
111.00882	2.8
113.02449	5.0
115.92052	1.7
119.03484	5.9
121.03010	1.8
129.01952	7.9
131.03555	1.1
133.02922	2.3
135.04520	10.2
135.98459	1.0
140.24295	0.8
143.03473	1.6
146.03754	0.9
147.03012	17.8
153.05637	1.0
159.04514	1.5
161.02435	5.8
161.04523	5.0
161.06070	3.3
173.00937	4.4
174.03188	0.9
179.03481	3.5
179.05580	3.0
189.05563	14.2
190.05841	1.0
191.01964	9.0
193.05070	1.0
209.02913	3.9
233.04622	3.8
245.36380	0.9
247.06122	2.0
309.06152	18.1
310.06314	1.7
329.16098	11.7
345.03793	5.4
345.15280	0.8
353.05099	2.9
389.18179	18.0
390.18478	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	389.1637
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
50.69042	0.4
57.74395	0.3
58.10315	0.4
59.01371	1.4
61.98829	11.3
71.08959	0.4
71.09294	0.8
75.72955	0.4
79.95736	14.8
80.96507	1.3
85.02964	0.5
96.96010	100.0
97.95947	0.5
104.95837	0.4
113.41808	0.3
135.04686	0.4
157.02992	0.4
246.66844	0.4
291.19644	0.7
309.20575	1.3
389.16370	42.3
390.16776	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	389.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.6
59.01377	31.4
60.80617	4.4
61.98830	100.0
62.05949	5.1
70.09911	5.3
78.95904	11.1
79.99017	5.6
85.02931	15.5
88.29155	5.7
94.21206	5.7
96.95996	6.8
98.39268	5.2
99.92582	19.0
115.92060	7.7
116.92873	16.8
161.77596	6.6
389.04489	7.7
389.15985	7.3
389.21460	8.7
389.28055	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	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25510	0.5
55.01884	1.7
57.03450	3.0
58.00591	1.1
59.01380	100.0
60.01716	1.1
61.98829	4.1
63.96249	0.7
68.37956	0.5
69.03402	0.5
69.37918	2.9
69.38599	0.4
71.01382	39.3
72.01738	0.5
72.99317	1.3
73.02945	9.5
74.85252	0.4
75.00896	1.3
76.25816	0.4
80.96537	0.5
83.01383	5.3
84.02177	0.7
85.02949	28.1
86.03314	0.6
86.58018	0.5
87.00849	2.1
89.02437	13.5
95.01382	2.3
96.96054	1.2
97.02952	1.1
99.00887	4.4
101.02441	25.2
102.02799	0.7
111.00903	1.1
113.02453	16.0
114.02798	0.6
119.03490	4.7
121.02989	1.1
125.02454	1.2
129.01942	1.7
131.03514	0.7
134.03760	0.6
135.04538	1.1
135.98360	1.7
137.76529	0.5
143.03514	3.2
147.03033	1.6
147.11803	0.6
152.08437	5.2
159.02986	3.7
161.04567	31.2
162.04945	0.9
165.05565	0.9
167.10785	9.8
168.11221	0.5
179.03410	0.6
179.04002	0.6
179.05615	4.2
191.01955	3.4
193.05043	0.9
197.04538	0.6
205.03529	0.9
209.03073	1.5
209.11887	1.2
227.16612	0.8
329.16068	3.2
330.16510	0.5
389.08392	1.2
389.13458	0.8
389.17996	1.9
389.22037	13.7
390.22281	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	389.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03447	13.2
59.01377	6.8
63.77163	0.5
68.99806	0.7
70.44205	1.1
71.01382	6.4
72.99302	2.7
73.02937	0.9
75.00880	3.8
83.01376	3.8
84.01714	0.5
84.02151	2.3
85.02950	100.0
86.03275	3.0
87.00890	1.0
89.02431	1.3
92.80933	0.4
101.02427	1.4
103.00367	1.8
111.00873	6.8
115.00353	1.4
121.02954	4.4
125.38032	0.4
129.01955	7.1
133.01422	1.0
145.01515	0.6
147.02991	15.3
148.03377	0.6
153.05547	2.3
172.71042	0.5
173.00916	1.9
191.01974	25.7
192.02286	1.0
193.02383	0.6
197.04562	4.0
209.03024	14.5
210.03438	0.8
371.06122	0.5
389.07086	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68888	0.5
55.01873	2.4
57.03449	12.1
59.01378	5.7
68.55898	0.7
68.99810	0.8
69.40999	1.0
69.41411	3.2
71.01387	3.6
72.99297	1.6
75.00855	1.8
83.01395	3.3
84.02164	2.9
85.02947	100.0
86.03294	2.1
87.00834	1.0
89.02425	0.7
98.20641	1.4
100.19896	0.6
101.02420	1.0
103.00362	1.4
110.67679	0.7
111.00877	3.9
115.00352	0.8
121.02942	3.0
129.01947	11.0
133.01392	0.9
146.27859	0.6
147.02995	14.8
153.05513	1.8
173.00890	1.6
191.01968	22.3
192.02315	1.3
197.04605	2.5
209.02991	10.4
261.04099	0.7
389.07303	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	389.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
57.03448	12.6
59.01383	7.4
59.92600	0.6
61.98833	3.6
69.66486	3.7
71.01374	5.1
72.99304	1.9
73.02941	0.9
75.00848	1.0
82.15092	0.6
83.01391	3.3
84.02167	2.9
85.02952	100.0
86.03289	2.2
87.00887	0.8
89.02465	0.9
98.20144	1.8
101.02489	1.4
109.02959	4.3
111.00873	7.4
114.14197	0.6
116.91485	0.7
117.03471	0.8
121.02954	1.7
124.01667	0.8
129.01949	15.1
133.02951	2.6
135.04532	20.6
136.04851	1.4
147.02986	13.7
153.01064	0.7
153.05568	1.4
159.04483	2.6
161.02457	6.5
161.06052	1.4
163.04008	1.8
173.00874	5.0
175.04117	0.8
175.07616	1.1
177.05550	1.2
179.03502	8.3
187.03889	0.7
189.05576	7.7
191.00267	1.2
191.01971	15.0
191.03662	1.2
194.94792	0.7
197.00146	0.8
197.04587	1.7
203.07158	1.9
209.03018	8.9
233.04639	1.7
233.12379	0.7
247.06119	3.6
270.54901	0.6
271.08295	1.1
291.04877	1.1
309.06140	13.6
310.06372	1.2
345.03821	3.1
353.05124	7.4
354.05179	0.7
389.02911	0.8
400.40649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57870	0.4
61.98830	100.0
62.27550	0.3
74.80228	0.4
137.64751	0.4
186.15056	0.4
209.11786	0.7
238.27840	0.3
307.19373	0.9
400.20990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75664	1.5
59.01365	5.1
59.31440	1.7
61.98830	100.0
71.51701	3.0
96.55855	1.7
101.35956	1.6
104.44230	1.5
319.83829	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	389.028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03447	12.1
58.03777	0.5
59.01384	6.0
61.98824	4.8
68.99831	0.6
71.01370	3.7
71.51258	0.7
72.99314	2.4
75.00887	1.2
83.01382	1.9
84.02180	2.1
85.02950	100.0
86.03284	2.3
87.00864	2.5
89.02454	1.0
94.78629	0.4
96.96018	1.0
98.95584	0.7
99.92589	1.1
101.02435	0.8
103.00376	0.8
111.00895	3.4
115.00388	0.8
115.92076	0.7
117.03456	0.9
121.02975	1.6
129.01945	23.9
130.02240	0.8
134.03757	0.7
135.04524	12.3
136.04933	0.6
147.02994	8.7
153.01106	0.7
153.05585	1.1
161.02451	0.6
173.00920	8.9
174.86908	0.5
179.03520	3.6
191.00250	1.0
191.01985	20.2
192.02303	0.7
196.98221	0.5
197.04596	2.6
209.03030	5.7
210.05623	0.6
239.05502	0.7
242.95923	2.3
243.91887	0.5
253.90851	0.5
353.05145	12.1
354.05402	1.1
389.02853	2.4
389.07230	0.8
389.14224	0.7
398.89520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98830	100.0
70.26621	0.8
70.27017	0.7
79.82355	0.3
79.95741	0.5
81.71887	0.3
82.06777	0.3
89.65931	0.4
96.96041	0.5
164.83643	1.0
179.55534	0.3
198.92439	0.4
220.90793	0.3
227.13026	0.6
229.14487	0.4
327.85959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52105	0.5
61.98829	100.0
66.09444	0.5
70.83155	0.5
70.83495	1.2
75.10524	0.5
142.90051	0.5
164.57599	0.5
174.12430	0.6
192.89549	0.6
194.63440	0.5
211.55179	0.5
231.41193	0.6
318.85831	0.5
381.67520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97640	0.4
59.01369	0.6
61.98830	100.0
66.83546	0.4
70.81876	0.6
70.82209	0.5
72.36479	0.4
78.87230	0.4
79.95742	0.5
91.63875	0.4
96.96027	1.3
99.85257	0.3
161.26871	0.4
220.16608	0.4
311.78146	0.4
389.16718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53496	0.4
57.03453	4.2
59.01375	3.3
61.98830	100.0
67.17713	0.4
68.99805	0.5
69.57971	2.2
69.58375	0.9
71.01385	1.0
72.99285	0.9
83.01412	1.0
85.02949	28.1
86.03299	0.9
87.00880	0.9
89.02450	0.8
96.95995	0.6
111.00867	1.2
117.03533	0.5
121.02962	1.1
127.33653	0.5
129.01938	5.5
135.04533	3.0
147.03018	2.4
148.04097	0.9
150.03148	0.6
165.05501	0.8
173.00931	1.6
179.03510	1.4
191.01982	5.8
191.03479	0.7
197.04550	1.3
198.04863	0.8
209.03067	1.8
209.68602	0.6
211.03711	0.6
259.21976	0.5
269.32938	0.5
327.36600	0.5
353.05179	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98831	100.0
70.71896	0.5
70.72228	0.8
78.95901	1.2
83.05101	0.4
85.02963	0.8
99.92584	0.6
115.92115	0.9
116.92884	1.3
123.54716	0.4
249.23637	0.4
255.69151	0.4
260.91116	0.5
325.20255	0.5
349.21506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	47.4
61.98830	100.0
62.62504	5.8
70.64176	7.8
70.64505	12.8
85.02943	11.5
95.32939	5.5
123.04500	10.4
139.71529	5.7
148.03949	5.6
173.10411	6.4
187.30670	6.1
191.01878	6.8
257.58035	7.6
279.82483	6.2
304.10553	6.1
311.10403	10.4
387.14615	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	387.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	47.4
61.98830	100.0
62.62504	5.8
70.64176	7.8
70.64505	12.8
85.02943	11.5
95.32939	5.5
123.04500	10.4
139.71529	5.7
148.03949	5.6
173.10411	6.4
187.30670	6.1
191.01878	6.8
257.58035	7.6
279.82483	6.2
304.10553	6.1
311.10403	10.4
387.14615	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	387.049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.3
57.03453	4.2
59.01376	4.8
61.98829	1.8
66.17271	0.9
68.99815	0.7
69.48201	0.7
70.82188	1.5
70.82555	0.8
71.01375	2.0
72.99284	0.7
83.01382	17.5
85.02943	7.0
94.64920	0.7
99.00868	6.7
101.02444	0.9
111.00882	5.7
115.03970	1.1
117.03458	19.1
118.03791	0.9
119.05023	9.2
125.02432	1.2
129.01942	28.0
130.02243	1.5
143.03505	23.6
145.02950	100.0
146.03297	7.1
147.03111	0.8
154.99883	1.8
163.03999	6.9
173.00905	28.6
173.06070	1.4
191.01883	1.5
194.98601	1.3
201.05566	1.5
203.03410	1.1
203.07094	1.5
205.03520	8.3
225.11264	1.3
229.04945	0.9
257.04489	3.5
289.07404	0.9
319.04541	14.6
320.04971	2.0
334.60025	0.7
351.07162	6.2
352.07581	0.9
382.61783	0.8
387.19983	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	387.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03446	11.8
59.01379	6.8
63.16156	0.5
70.62396	1.7
71.01377	7.6
72.99310	2.5
73.02953	1.0
75.00875	1.9
77.08334	0.6
83.01386	2.9
84.02157	2.6
85.02950	100.0
86.03278	2.5
87.00851	1.7
87.33649	0.6
89.02426	2.6
98.19814	0.7
99.00914	1.0
101.02437	1.2
103.00382	1.4
105.03441	1.0
111.00865	5.1
115.00361	1.3
119.05024	0.9
121.02954	7.2
122.03763	1.1
123.04539	4.7
125.59751	0.7
129.01933	8.7
133.01402	2.1
133.02950	3.9
137.02422	1.0
147.02994	17.0
151.04028	1.5
154.02606	0.7
163.02496	0.7
167.12939	0.8
173.00829	0.8
177.01912	0.9
181.05072	3.0
185.61421	0.6
191.01968	38.9
192.02348	1.3
195.02934	2.2
209.03014	31.8
210.03380	2.2
223.04654	0.7
225.05035	0.8
226.79024	0.8
231.42017	0.8
263.90878	0.7
387.09976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.5
60.27232	2.3
61.98830	100.0
66.34299	2.4
80.86680	2.5
98.20732	6.6
119.32433	2.7
136.49612	2.4
372.88571	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	387.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03451	15.6
59.01372	14.6
61.98827	8.0
68.99833	1.5
71.01385	8.2
71.52896	1.6
72.99292	2.2
73.02934	3.4
73.72961	1.1
75.98569	1.0
83.01377	4.9
83.46124	1.0
84.02158	3.2
85.02946	100.0
86.03281	3.1
87.00885	1.9
89.02446	2.9
94.01401	0.9
95.06314	0.9
96.96020	1.8
101.02443	6.2
103.01879	1.9
105.03429	4.5
111.00858	1.6
113.02441	3.0
117.03396	1.2
119.03446	1.7
121.95990	1.0
123.04464	1.2
129.01935	46.5
130.02255	2.0
131.01433	5.3
133.02951	15.5
135.98340	2.9
137.02481	1.1
142.99042	1.2
145.02939	5.7
147.02986	50.2
161.04518	2.1
166.99031	15.7
169.00620	18.3
172.36394	1.0
173.00906	44.8
173.02405	2.3
174.01192	1.6
177.01947	4.3
177.12764	3.0
191.02025	5.0
194.98523	99.6
195.98840	5.1
201.05559	1.2
209.03036	1.1
212.99577	34.6
213.99850	2.0
235.01671	1.9
253.02690	2.8
281.02277	2.8
325.01218	2.7
369.00040	4.9
387.01025	12.0
387.10318	1.1
387.15649	1.5
387.20291	1.9
388.01569	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.9
61.98830	100.0
67.20481	1.1
71.52686	1.5
74.79978	0.9
85.02944	1.7
94.57394	1.3
133.45811	0.9
269.60184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.26564	0.4
69.36201	3.6
72.02512	0.4
72.08219	0.5
74.89439	0.4
98.19910	0.9
102.96256	0.4
151.56772	0.4
171.55415	0.4
179.95087	0.5
303.86713	0.4
305.17572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83720	0.4
55.70176	0.4
57.03450	0.4
57.12391	0.4
59.01375	0.9
61.98830	100.0
67.76692	0.4
69.30804	2.4
69.31214	0.8
79.55606	0.4
117.98392	0.5
286.78659	0.4
387.17819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98830	100.0
66.53580	0.4
70.26451	0.7
77.99978	0.4
84.73087	0.4
85.02951	0.4
86.55154	0.3
130.08745	4.2
174.62070	0.4
200.13812	0.4
222.54889	0.4
322.20053	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	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
57.03439	4.7
57.70028	0.4
58.00601	4.2
59.01379	100.0
60.01716	1.0
61.98831	8.4
64.71810	0.4
68.99850	0.5
69.03461	0.8
71.01379	81.8
71.51274	0.5
72.01720	1.5
72.99306	6.9
73.02946	6.3
75.00864	1.2
79.95709	0.6
81.03451	1.0
83.01389	6.8
84.02167	1.3
85.02949	39.0
86.03299	0.7
87.00886	5.5
89.02443	96.1
90.02795	1.4
93.03468	0.5
93.87746	0.4
95.01390	6.4
96.96009	2.0
97.02943	0.5
98.02523	0.4
99.00871	3.3
99.04542	0.9
101.02438	49.5
102.02779	0.9
107.05010	0.5
109.02955	1.0
111.00891	3.0
111.30733	0.4
113.02450	35.7
114.02789	0.7
115.04055	0.6
119.03498	45.5
120.03818	1.2
120.70890	0.4
120.99671	1.7
121.02957	1.8
121.06604	0.9
123.00910	1.6
123.08139	3.1
125.02456	1.6
125.09737	1.6
129.01907	2.4
130.08755	0.5
131.03505	4.7
133.01425	0.8
134.03754	0.6
135.01266	1.4
135.04561	2.4
135.08160	2.2
137.05980	0.4
137.09702	3.2
138.03214	0.7
143.03502	10.6
144.03862	0.5
147.03021	2.7
147.08202	1.6
149.04564	3.9
149.26819	0.4
152.77434	0.5
153.05594	0.7
153.09207	14.3
154.09525	0.8
159.03027	0.9
160.01706	0.6
161.02444	1.1
161.04550	10.6
163.04111	0.5
163.11269	1.2
165.09164	0.9
166.99858	1.5
173.00887	2.0
175.03992	0.6
179.05608	20.1
182.02206	5.6
187.02477	0.5
187.11310	2.6
190.09988	0.8
191.01984	7.2
192.99670	0.5
197.04547	9.5
203.10797	0.6
205.03401	0.8
205.12321	16.2
206.12592	1.1
209.02983	3.0
213.02307	1.0
223.02763	3.0
223.04639	4.5
223.13420	3.0
233.97044	0.5
385.11438	0.8
385.18719	21.9
386.18826	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	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03445	4.1
58.00594	3.0
59.01377	53.0
60.01721	0.6
60.69062	0.3
61.98829	6.1
68.99806	0.4
69.03465	0.5
71.01379	66.9
71.51467	0.4
72.01705	1.3
72.99294	3.1
73.02946	11.2
73.03360	0.5
74.03303	0.3
74.99097	0.7
75.00865	0.9
81.03457	0.5
83.01388	5.8
83.05006	0.8
84.02177	0.7
85.02948	32.1
86.03300	1.0
86.03765	0.3
87.00865	3.2
87.04521	0.4
87.60989	0.2
88.01221	0.2
89.02442	32.9
90.02769	0.4
93.03448	0.2
95.01389	4.8
95.05001	1.4
95.76986	0.3
96.96008	1.0
97.02948	5.6
97.06573	0.4
99.00879	5.7
101.02441	33.7
102.02776	0.7
105.06458	0.2
105.07085	1.4
105.91856	0.2
107.05048	0.6
108.05820	2.8
109.02940	1.1
109.06610	2.0
111.00870	0.8
111.04510	1.3
111.08145	0.7
113.02449	25.2
113.06087	3.5
114.02773	0.7
115.00378	0.3
119.03498	11.5
120.99692	1.2
121.06598	0.9
122.03742	2.3
123.04516	0.4
123.08143	4.2
124.01616	0.3
125.02426	1.2
125.06073	3.1
129.01123	0.3
129.01956	1.7
131.03491	1.0
134.03726	0.4
135.01202	0.3
135.04538	1.2
135.08127	0.7
136.05305	3.7
136.99170	0.6
137.06114	1.8
138.06863	23.4
139.07661	10.3
139.08746	0.4
140.07985	0.6
143.03496	3.3
147.03012	1.0
147.08145	0.7
149.04561	0.6
149.06062	1.5
149.07083	0.2
150.56702	0.3
151.07645	22.5
152.04865	2.5
152.08429	47.1
153.09207	100.0
154.09528	5.4
159.02962	4.3
161.04549	20.4
161.09689	0.8
162.04855	0.9
163.11282	3.4
164.11661	0.3
165.09198	1.9
167.07143	1.8
173.00909	0.6
175.07594	0.3
179.03496	0.9
179.05595	3.3
179.10832	0.4
187.11258	0.9
189.09189	1.7
190.09979	1.5
191.01964	3.3
200.88445	0.3
205.03477	0.7
205.12317	31.0
206.12631	1.7
209.02985	1.0
223.02710	0.9
223.04616	2.1
223.13379	17.5
224.13696	1.4
233.10294	0.4
267.08749	0.3
385.11349	0.5
385.18710	11.4
386.19077	1.5
408.76822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	1.8
57.03453	3.1
57.24321	0.3
58.00595	3.8
59.01377	100.0
60.01712	0.8
61.98822	0.9
62.12262	0.3
67.01878	0.3
69.03456	0.3
69.93196	0.7
69.93589	0.6
71.01379	72.9
72.01716	1.1
72.99310	4.5
73.02943	4.6
75.00864	0.8
83.01389	3.9
84.02161	0.6
85.02946	19.3
87.00872	3.8
89.02442	90.8
90.02781	1.1
95.01393	5.0
96.01738	0.4
96.96012	0.9
97.02941	0.9
98.19932	0.4
99.00873	1.6
101.02439	41.3
102.02768	0.9
107.05035	0.6
111.00907	0.4
113.02448	29.9
114.02744	0.7
119.03499	40.6
120.03844	1.0
120.99648	0.9
123.08159	2.4
125.02419	1.0
125.09692	0.8
129.01924	0.7
131.03503	3.9
135.04507	0.8
135.08160	1.7
139.07642	0.6
143.02429	0.5
143.03500	6.3
147.02933	0.7
147.08159	2.0
149.04559	3.3
153.09207	14.2
154.09573	0.5
159.03027	0.7
161.04541	8.7
163.11217	0.6
164.04466	0.4
165.09184	1.0
171.08112	0.6
175.11160	0.4
179.05598	15.1
179.10651	0.3
180.05995	0.5
187.11290	4.0
189.09196	0.7
190.09947	1.0
191.01962	2.2
202.54977	0.3
203.10812	0.5
204.11385	0.6
205.12323	16.4
206.12688	0.9
209.03000	0.5
223.04591	1.4
223.13338	2.4
233.11827	0.5
268.76181	0.3
277.14377	0.4
281.30777	0.3
302.36591	0.3
370.12881	0.3
385.11203	0.8
385.18680	6.5
386.18903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33794	0.9
55.01867	2.4
57.03446	12.3
59.01379	8.0
59.37690	0.8
68.99831	1.1
69.73155	4.5
71.01379	7.7
72.99300	2.0
73.02896	0.9
75.00867	3.2
83.01387	8.1
84.02161	2.2
85.02950	100.0
86.03275	1.9
89.02436	1.5
96.96014	1.5
99.00857	1.6
103.00388	1.5
105.32942	0.8
109.02968	0.8
111.00900	6.1
115.00303	1.0
126.97073	0.8
128.07536	0.7
129.01932	8.4
133.01402	1.4
133.02946	1.3
135.04524	10.2
143.03505	1.9
143.54274	0.8
147.03009	11.2
161.02452	4.6
173.00897	9.2
179.03526	5.4
191.01973	56.6
192.02342	1.6
223.04585	44.1
224.04912	1.7
353.05179	2.1
406.30380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
55.01881	0.8
57.03446	2.7
59.01376	2.2
61.98825	1.7
69.20659	1.1
69.21069	4.4
71.01379	2.1
72.99316	1.1
75.00877	0.8
83.01399	2.0
84.50211	0.5
85.02950	25.2
86.03307	0.6
93.03472	1.6
94.23311	0.6
96.96001	1.1
99.48707	0.6
111.00906	1.9
113.85729	0.8
121.02946	5.6
129.01970	2.6
134.03770	0.8
135.04532	6.8
137.02475	1.1
139.88800	0.6
147.02998	4.0
149.02431	39.0
150.02806	2.4
151.04121	0.7
152.01151	6.8
159.37460	0.6
161.02458	1.0
163.04012	5.7
164.04788	31.0
165.01941	1.6
165.05228	1.2
167.03497	1.6
169.05095	1.9
173.00911	3.0
179.03551	1.6
179.07132	11.8
180.07425	0.9
191.01979	13.8
191.03654	1.0
192.02473	0.8
193.01411	18.4
208.03761	37.4
209.04202	1.8
223.06160	100.0
224.06441	6.9
267.08798	0.7
293.35791	0.6
339.16415	0.6
385.11646	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21323	0.7
55.01867	2.8
57.03448	16.8
59.01376	8.9
60.60532	0.8
67.61098	0.7
68.99792	0.8
69.51543	1.6
69.51951	2.7
71.01401	5.1
72.99306	1.9
73.02942	0.8
75.00866	2.0
78.75420	0.7
83.01392	2.6
84.02161	3.0
85.02950	100.0
86.03294	2.8
87.00902	1.0
89.02408	1.1
101.02481	1.0
103.00372	1.9
109.02270	0.8
111.00878	4.6
115.00373	0.7
129.01945	7.9
133.01440	1.2
134.03760	5.2
135.04477	1.3
137.77834	0.7
147.03011	9.9
173.00883	1.4
179.03474	0.9
182.22421	0.7
191.01979	27.6
192.02324	0.8
193.05019	1.5
197.10028	0.7
209.03043	11.4
223.04553	5.8
250.17482	0.7
281.79977	0.9
294.02417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97227	0.7
53.72975	0.7
55.01875	2.8
57.03452	10.3
59.01372	8.1
68.99803	1.8
69.78956	1.1
69.79361	2.9
71.01382	6.7
72.99311	2.3
75.00883	3.2
81.40528	0.7
83.01395	3.7
84.02171	2.3
85.02950	100.0
86.03297	2.5
87.00900	1.0
89.02426	2.7
98.19949	0.7
99.00883	0.8
103.00367	1.9
111.00903	3.1
125.08643	0.7
129.01944	6.3
133.01427	2.1
134.03760	2.6
135.04526	6.0
147.02998	7.1
161.02513	1.1
173.00888	2.1
179.03508	3.5
191.01978	43.3
192.02338	1.2
193.05156	0.8
209.01038	1.1
209.03029	21.0
209.96483	0.9
223.04581	33.5
223.06834	1.6
325.79846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24424	0.9
52.96307	0.9
55.01888	1.4
57.03448	11.7
59.01371	6.8
70.83214	2.6
71.01373	5.9
71.11452	1.2
72.99327	1.4
75.00867	3.0
75.69842	1.2
80.70091	1.0
82.34671	1.1
83.01379	5.7
84.02177	3.0
85.02950	100.0
86.03297	1.9
87.00888	1.6
98.65244	1.0
101.02444	3.0
110.89365	1.3
111.00879	14.7
119.33479	1.2
129.01958	13.3
129.84581	1.1
134.03714	2.8
135.04478	1.9
147.02979	10.9
161.04504	1.6
176.80148	1.2
179.03578	1.9
187.02455	1.4
191.01978	21.9
193.04997	2.8
205.03517	17.1
209.03142	6.1
223.04585	83.1
224.04866	3.4
299.36734	1.2
352.61084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21388	0.5
55.01870	1.5
57.03440	3.9
58.00593	0.8
58.48485	0.5
59.01377	17.3
60.22156	0.5
61.98830	15.7
63.85405	0.4
65.03926	0.5
69.45744	2.7
69.46154	1.1
71.01014	0.9
71.01379	14.6
71.47770	0.5
71.59061	0.5
72.99296	2.7
73.01163	3.8
73.02928	2.1
74.72466	0.4
75.00875	1.5
79.95728	0.8
80.96511	0.5
81.03439	0.7
83.01384	3.9
84.02164	1.1
85.02949	31.5
86.03288	0.8
87.00880	5.8
88.35609	0.5
89.02444	9.9
91.02224	0.7
95.01379	1.1
96.96011	1.9
97.02975	0.6
98.35216	0.6
99.00860	2.0
101.02444	8.1
102.98592	1.8
103.00381	0.6
105.46754	0.5
109.02921	0.7
111.00863	2.5
113.01748	0.6
113.02460	6.4
119.03500	4.1
120.99654	42.3
121.02942	1.1
121.99976	0.9
123.08115	0.5
125.02460	0.6
129.01944	3.8
133.02917	1.1
134.03729	1.3
135.01219	36.5
135.04526	7.2
136.01591	1.1
137.02429	0.9
138.06851	1.3
139.07698	0.5
143.03473	1.4
147.02995	3.4
149.09796	0.6
151.07628	1.6
152.08446	3.5
153.09204	7.8
159.02986	0.8
161.02516	2.5
161.04555	2.5
161.09592	0.8
165.00154	0.6
173.00885	1.4
176.08539	0.8
179.03481	4.5
179.05594	0.8
187.11264	1.7
190.10072	0.6
191.01971	9.4
197.04529	0.7
205.01753	1.0
205.03494	0.9
205.12323	5.7
209.03029	4.1
223.02792	100.0
223.04562	5.3
223.13327	2.4
224.03120	4.4
233.11777	1.1
267.07202	1.4
343.05524	0.6
385.11493	1.9
385.18701	2.2
386.18790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76665	1.2
59.01384	7.7
61.98820	5.0
67.77541	1.4
71.01366	2.1
136.55327	1.4
139.11215	1.5
149.57088	1.6
163.11320	1.8
195.13885	3.7
198.68498	1.4
249.22151	3.0
285.86255	1.4
293.21249	50.3
294.21500	5.4
307.06262	1.4
311.22266	100.0
312.22589	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
66.79675	2.2
70.13960	7.5
141.25970	2.1
235.44264	2.3
329.87415	2.4
329.91556	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	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.5
55.14322	1.4
57.03445	8.8
59.01373	10.2
61.41235	1.3
61.98831	2.4
63.02229	1.1
67.01893	3.0
69.13844	3.6
69.14246	10.7
71.01380	24.8
72.99313	6.3
73.02948	4.4
73.56497	1.5
75.00895	3.3
83.01385	39.5
85.02950	29.5
87.00874	1.9
88.01649	1.9
96.14218	1.1
96.96040	1.9
99.00896	6.9
99.04503	1.7
101.02444	19.3
103.03986	3.4
103.66164	1.4
111.00882	98.2
112.01239	2.5
117.03477	27.1
119.05025	31.9
119.05836	2.4
120.05363	2.2
125.02451	7.6
129.01955	13.9
131.03462	3.7
133.02922	2.5
134.03767	3.3
143.03503	24.8
145.02956	100.0
146.03300	4.5
159.02953	1.4
161.04578	2.8
163.04008	45.5
164.04305	2.1
173.00874	3.4
175.02287	1.5
187.02460	7.7
191.01971	1.4
193.05029	1.6
201.04024	2.0
205.03519	87.7
206.03902	3.0
214.94402	1.3
219.05064	1.9
235.06065	2.1
237.06145	36.8
338.86127	1.3
342.45059	1.3
351.07086	3.2
383.17331	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	382.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83308	0.2
57.03449	0.2
58.52101	0.2
59.01365	1.3
61.90902	0.2
61.98829	100.0
63.86627	0.2
68.17374	0.2
69.30837	1.6
71.01392	0.2
85.02981	0.4
86.62652	0.2
90.87068	0.2
96.95981	0.2
98.19849	0.3
117.03484	0.3
119.05057	0.4
129.01939	2.0
145.02988	0.8
150.79364	0.2
173.00900	1.1
174.70453	0.2
176.04292	0.3
215.03506	0.2
319.04507	1.5
383.17111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.8
57.03445	9.9
58.00593	0.9
59.01380	10.0
61.98815	3.0
67.18357	0.7
68.99770	0.8
69.64639	4.3
69.73917	0.7
71.01381	4.8
72.99312	2.6
73.02917	1.0
75.00870	4.0
83.01385	18.0
84.01704	0.9
84.02171	2.4
85.02950	100.0
86.03284	3.0
87.00867	0.9
89.02451	0.9
90.85684	0.6
96.96011	1.6
99.00888	2.6
101.02431	1.5
111.00889	7.8
113.02454	1.0
115.04029	1.4
117.03500	1.8
117.70898	0.7
119.05028	22.4
120.05357	1.3
125.02417	2.2
129.01947	6.8
133.02948	4.1
134.03810	1.2
135.04590	1.1
139.68878	0.7
143.03506	5.5
145.02956	9.6
154.99846	0.8
161.04518	2.6
161.09688	2.3
163.04008	28.4
164.04384	2.1
173.00876	1.9
175.03990	0.8
179.10800	4.5
187.02477	2.3
191.01917	2.1
203.10779	3.0
205.03525	30.3
206.03860	1.3
221.11841	1.6
225.83002	0.7
231.06746	2.0
237.06134	33.2
271.85291	0.6
293.23169	0.7
323.17123	1.0
383.09344	1.3
383.17288	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	381.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96875	1.8
57.03447	1.8
59.01380	100.0
59.51715	1.6
61.98822	5.4
71.01360	3.1
71.51965	1.9
71.52378	2.1
81.03467	1.6
82.36876	1.5
89.41884	1.6
94.33978	1.5
121.03007	3.1
263.93222	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	381.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56425	2.4
54.61261	2.2
70.62746	4.3
80.60175	2.7
86.40311	2.2
125.09777	3.6
155.65222	2.4
163.11327	4.0
165.12872	6.6
179.14380	2.6
181.12332	2.7
193.16068	3.3
223.13464	2.8
247.20721	10.1
291.19647	96.2
292.20090	7.1
309.20700	100.0
310.21103	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	381.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57347	1.7
59.01375	8.9
71.01380	2.1
71.28958	2.3
80.70373	1.6
89.56724	1.7
102.64406	1.5
111.08141	2.8
127.71342	1.9
153.12842	5.7
155.10823	1.8
169.12222	2.2
179.14487	2.5
197.11859	3.3
207.13850	2.3
247.20645	4.0
248.47653	1.6
273.18530	2.7
281.21106	2.5
291.19644	34.9
292.19952	3.7
309.20688	100.0
310.21014	13.6
372.81662	1.8
388.57495	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
57.03446	0.8
58.00580	1.6
59.01386	2.5
61.98827	2.7
69.03458	0.6
70.11621	0.9
70.12004	1.0
70.72300	0.5
71.01385	1.3
72.99340	0.4
73.02941	1.5
83.01389	2.2
85.02950	0.7
87.00935	0.4
87.02744	0.6
87.04499	1.9
95.05037	0.7
99.00867	1.0
111.00871	1.3
112.43732	0.4
113.06093	3.4
121.02957	0.5
123.08108	0.4
125.09761	0.7
129.01936	2.6
132.02142	1.4
133.02934	0.9
134.03735	7.3
135.04552	4.2
137.09735	3.1
140.14584	0.5
143.03487	1.4
149.06052	1.3
160.01659	5.6
161.02402	1.7
173.00917	1.6
175.03999	8.1
181.08707	1.8
187.57961	0.4
188.04752	0.7
188.91512	0.5
191.14459	0.8
193.05029	4.4
203.07115	0.8
216.04135	0.5
217.15770	0.4
219.06573	1.3
231.06578	2.9
231.35547	0.4
233.18985	0.5
239.14380	0.5
245.18936	0.5
257.15475	5.2
258.15820	0.8
263.20175	1.0
271.16895	0.5
273.15955	0.5
273.18631	6.3
274.18796	0.8
275.16492	1.6
289.18097	1.2
291.19656	1.7
301.18179	1.6
319.19269	3.7
335.18616	32.6
336.18839	3.4
337.20135	2.5
349.05612	0.6
363.13361	0.9
363.18112	27.5
364.18439	4.0
381.19174	100.0
382.19525	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	381.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03447	100.0
58.03784	2.4
59.01377	96.0
60.01690	1.9
61.98817	2.3
70.99355	2.3
71.01375	19.2
72.99302	2.3
73.02947	5.8
75.00863	2.2
83.01381	4.4
85.02943	17.2
88.92135	1.0
89.02432	5.1
95.01393	1.8
96.95990	2.2
98.95590	1.2
99.00875	3.3
99.04516	80.4
100.04842	1.6
101.02441	36.6
101.03105	2.0
111.00862	2.0
113.02450	10.8
119.03468	1.4
125.02441	21.4
130.28911	1.2
143.03523	2.2
158.06085	3.0
159.02963	1.6
161.04529	7.9
175.02626	1.5
176.03493	10.0
191.01982	2.1
237.09767	31.0
238.10158	1.6
279.10776	3.2
314.35999	1.2
319.13904	2.1
321.15479	3.8
321.72061	1.4
381.07867	1.8
381.13431	3.8
381.17886	7.2
382.07477	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
71.28918	1.7
111.08166	3.4
113.09747	1.5
125.06055	1.3
141.09172	2.0
165.12819	1.3
166.89462	1.0
179.41226	1.0
181.12350	4.1
197.11777	5.7
211.13388	3.5
221.15381	1.9
240.13637	1.9
241.14374	1.2
247.20630	3.0
273.18646	3.0
281.21286	1.1
287.46039	1.4
291.19666	31.1
292.19971	4.0
309.20694	100.0
310.21103	10.0
345.29266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
57.03450	75.6
58.03790	1.7
58.83955	1.8
59.01378	100.0
61.98820	4.2
70.02631	3.7
70.03020	3.7
71.01382	27.2
72.99326	2.3
73.02946	8.5
75.00864	2.0
76.32009	1.7
83.01367	6.5
85.02952	34.4
87.00877	3.3
89.02422	7.6
96.95990	3.0
99.00851	3.3
99.04519	65.4
99.05181	3.3
101.02436	37.5
102.28226	1.8
103.03963	1.6
113.02455	13.1
119.03542	4.7
125.02442	26.6
129.01924	4.1
143.03455	3.5
152.95897	1.7
161.04558	17.1
179.03651	1.7
191.01924	2.7
219.08669	3.2
219.12389	3.5
237.09772	40.9
238.10071	4.1
279.10779	11.5
321.15396	6.0
381.07669	2.2
381.13635	10.3
381.18430	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	380.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98830	100.0
69.31403	1.0
69.31819	1.9
71.01392	0.6
75.05151	0.3
78.95902	0.4
81.03472	0.3
83.01386	1.0
85.02965	1.4
87.27139	0.3
96.95986	0.3
97.02965	1.5
98.19933	0.6
109.02948	2.1
111.00909	0.5
121.02998	0.8
123.04536	1.4
125.02480	0.6
134.03639	0.4
137.02492	0.4
137.30663	0.4
139.04036	0.7
149.02399	2.1
151.04047	0.8
153.01985	1.5
161.02431	0.4
163.03883	0.5
165.01932	1.8
166.02608	0.4
175.04063	0.5
179.03416	0.5
193.01379	0.6
203.07214	1.0
205.05159	1.0
207.03038	0.4
247.06184	1.0
289.07101	0.3
317.06650	17.2
318.07089	1.6
381.11884	0.5
381.16034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99515	2.2
54.45174	1.7
55.01871	4.0
57.03449	11.6
58.00595	2.3
58.29708	1.5
59.01382	35.2
60.54800	1.6
61.98830	54.1
68.99834	2.2
70.71274	3.9
71.01379	13.6
72.99306	4.0
73.02954	3.1
80.96482	2.1
83.01395	30.3
85.02960	15.6
87.00868	3.8
87.92535	2.3
89.02436	7.3
96.96001	17.7
97.06545	2.3
99.00883	16.5
99.04543	4.5
99.92609	2.7
101.02438	7.8
103.92025	4.5
104.92782	2.4
111.00877	22.3
111.04541	2.3
113.02459	5.7
113.06080	4.5
117.03480	2.1
119.05036	3.1
125.02456	4.7
129.01944	29.5
132.02190	12.4
133.02933	20.5
134.03745	32.8
135.04495	15.2
137.02473	2.4
137.09717	3.3
143.03481	24.2
147.04488	4.7
149.06070	5.8
154.99876	3.1
158.68277	1.9
160.01657	51.7
161.02449	52.7
161.04576	5.5
162.02879	2.9
173.00888	17.3
173.02272	3.2
175.03995	72.3
176.04472	3.0
177.01938	7.3
179.03439	3.9
188.94942	2.6
193.05052	24.6
194.05408	2.2
203.07031	2.4
205.03464	2.3
207.03264	2.2
219.03294	2.6
219.06624	2.3
231.06645	6.0
233.04707	3.1
255.64424	1.7
257.15491	7.8
273.18640	6.8
289.18015	2.6
291.19559	2.1
301.18027	2.0
303.10855	8.8
319.19138	6.0
321.11880	3.3
335.18604	43.9
337.20288	4.8
349.05499	3.5
363.18063	32.2
364.18518	2.5
379.06348	2.2
381.04044	2.4
381.08447	6.5
381.15277	3.7
381.19202	100.0
381.24097	5.1
382.19443	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74188	0.7
55.01865	0.9
57.03450	7.1
58.00573	1.7
58.50138	0.8
59.01379	100.0
60.01710	2.2
61.98814	2.0
67.01907	1.0
71.01383	32.1
71.51729	1.1
72.01720	1.0
72.99306	3.3
73.02941	5.3
75.00875	3.7
77.76019	0.8
81.03446	1.0
83.01391	3.5
83.05022	3.8
84.02145	0.8
85.02950	27.7
85.06590	1.6
86.03297	1.7
87.00880	2.3
88.98846	1.1
89.02447	26.5
93.92065	0.8
95.01398	1.5
95.05025	0.7
96.96008	4.8
97.06583	1.3
99.00883	1.7
99.04520	3.7
101.02447	20.1
109.06571	2.4
111.00858	1.7
111.54688	0.8
113.02446	11.7
119.03498	9.4
123.08152	1.3
125.02459	2.5
125.06100	1.1
129.01927	2.7
131.03482	2.5
135.02986	6.1
135.04532	2.3
137.02477	0.9
137.09746	7.3
139.07640	2.5
140.07982	0.9
143.03514	1.4
144.86646	0.9
145.08681	3.1
147.03033	1.7
149.04543	2.7
151.00357	1.7
153.09198	2.0
155.10779	22.0
156.11107	1.5
157.08702	10.1
159.02939	1.0
159.10313	1.6
161.04568	7.1
173.11847	3.0
179.03502	3.1
179.05591	3.6
181.08673	2.3
191.01993	4.6
199.09755	29.9
200.10080	2.1
209.03006	2.9
217.10681	4.6
225.05368	0.8
241.00194	1.3
246.54976	0.9
247.11861	5.8
287.14902	1.5
298.05948	1.5
319.14053	9.3
319.21234	4.5
320.21762	1.5
379.16028	68.2
379.23331	30.2
380.16370	6.9
380.23715	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
57.03447	100.0
58.03783	2.0
59.01379	79.5
70.01665	5.5
71.01385	12.2
73.02943	5.1
81.03442	1.8
83.01364	3.8
85.02934	7.6
97.63822	1.5
99.00879	1.6
99.04515	84.0
100.04837	1.8
101.02444	37.2
113.02443	5.0
118.04124	1.4
125.02451	17.8
143.03522	2.4
161.04521	5.0
235.11823	34.1
277.12961	2.5
317.16092	3.0
379.16025	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36150	0.6
55.01880	0.8
57.03447	100.0
58.00587	0.9
58.03786	2.1
59.01379	77.6
60.01727	1.0
61.98827	1.0
69.49714	4.4
71.01380	19.7
72.99337	1.1
73.02946	5.4
75.00864	1.3
80.96510	0.8
81.03480	0.8
83.01382	4.0
85.02956	15.3
89.02440	5.0
90.30194	0.8
96.96011	0.8
99.00881	2.2
99.04517	79.0
100.04890	2.1
101.02438	33.8
108.82464	0.7
111.00929	0.7
111.08161	0.9
113.02435	8.0
113.03026	0.7
117.01962	0.9
119.03516	1.9
125.02454	18.4
125.06078	0.9
128.45000	0.8
129.01978	1.9
135.03038	2.5
135.04529	1.0
143.03552	2.9
147.03040	0.8
159.03015	1.9
161.04562	9.7
191.02013	2.8
209.03023	1.0
217.10825	1.5
233.06387	0.9
235.11867	30.4
235.14157	1.6
236.12270	2.0
277.12976	4.0
317.16107	2.8
335.11844	0.8
379.11209	1.3
379.16101	9.0
379.23444	8.9
380.23914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75648	0.9
54.26524	0.8
55.01865	1.2
57.03448	100.0
58.03759	1.1
59.01380	67.5
69.78722	4.5
71.01385	13.4
73.02953	5.7
81.03467	1.2
83.01384	4.1
85.02953	9.1
89.02438	1.5
95.01418	1.0
99.00851	2.4
99.04520	72.0
100.04865	2.5
101.02441	32.0
113.02458	6.9
125.02454	18.4
143.03482	2.8
157.18622	1.0
159.03055	1.5
161.04547	5.8
235.11855	32.1
236.12132	1.8
244.99825	1.0
277.12976	2.6
317.15930	2.6
379.15979	5.7
379.20172	1.3
402.47153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41656	7.6
61.98822	9.8
69.83933	28.6
86.88179	6.9
97.27885	7.7
116.03279	7.6
122.03718	24.2
123.43531	8.0
153.54062	8.5
161.91370	7.8
165.22215	7.9
323.94452	9.0
341.24802	100.0
342.25250	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	379.0127
Annotation	Hispidulin 4'-sulfate
Peak:m/z	Relative Intensity
53.00902	0.4
59.01358	0.5
69.15279	3.5
78.23325	0.4
85.69295	0.3
96.95980	0.4
124.08723	0.3
134.26448	0.4
138.06465	0.4
143.10796	0.5
145.00879	0.3
151.50345	0.4
152.99622	0.4
179.95512	0.4
202.01199	0.4
227.03479	35.5
228.03815	3.0
255.02974	46.9
256.03497	8.8
284.03238	53.9
285.03522	5.8
299.05585	100.0
300.05948	10.1
369.51309	0.4
379.01263	15.7
380.01617	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	377.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	85.5
61.98820	57.6
65.20470	20.5
71.52612	32.3
75.91253	30.6
80.96526	43.7
85.02960	55.1
156.09517	27.1
253.91570	28.2
292.98383	33.2
377.23209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.3
61.98809	6.4
63.65230	2.2
69.83722	11.9
71.01366	5.3
73.02944	4.5
80.96511	3.0
85.02937	8.3
95.05029	26.2
97.06588	3.5
98.19913	2.3
100.01654	5.9
107.05073	3.2
109.06586	3.2
111.08146	5.2
113.06090	3.2
113.09721	6.6
115.07671	13.0
125.06122	2.8
127.07668	14.3
139.07648	20.2
139.11244	2.4
141.09186	3.7
151.11273	15.1
154.06296	2.7
163.11313	5.7
167.10759	2.8
169.08690	32.3
169.12337	6.5
171.10263	100.0
172.10577	3.8
185.11815	10.8
195.10014	3.0
197.11829	3.2
199.13351	3.3
207.10269	28.5
209.11897	3.9
213.11333	11.3
215.12808	10.4
225.09303	2.6
225.11334	34.7
227.12872	26.5
243.12254	5.8
261.18365	3.4
279.19604	18.3
304.22476	2.4
305.17670	15.0
308.74872	2.2
323.18619	14.9
324.18875	3.8
341.19827	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	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11934	0.3
55.01866	1.2
57.03451	2.3
58.00586	0.6
59.01379	16.5
61.98841	1.5
65.44333	0.3
69.03458	0.5
71.01382	14.0
71.05024	0.3
71.22004	0.3
71.22335	0.3
72.01722	0.4
72.99310	1.6
73.02943	6.6
75.00861	0.4
83.01384	2.6
83.17921	0.3
84.02162	0.3
85.02950	13.4
87.00867	1.5
87.04523	1.2
89.02448	5.9
94.82174	0.3
95.01382	1.3
99.00881	1.3
99.04475	0.3
101.02448	8.4
111.00856	1.0
113.02450	4.7
119.03487	1.6
125.02428	0.5
125.09696	1.5
129.01955	1.6
133.02962	0.4
135.04555	0.5
138.05586	0.4
147.02988	0.9
155.10812	1.0
155.95505	0.3
161.02422	0.8
161.04593	0.3
165.00198	0.5
169.12320	1.8
173.00980	0.5
179.03380	0.4
189.78612	0.3
191.01978	2.2
197.11821	5.4
198.38890	0.3
209.03001	1.8
210.03418	0.3
215.12869	16.4
216.13232	1.2
217.21552	0.3
251.66774	0.3
317.16141	0.4
324.48145	0.3
341.10934	0.4
349.07043	0.3
352.51804	0.3
359.16925	1.5
377.18143	100.0
378.18494	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	376.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52865	1.9
59.01376	20.0
60.08513	2.0
61.98830	100.0
71.52364	2.3
87.58879	1.9
95.15390	2.0
119.21741	1.8
127.37705	2.0
128.80263	1.9
197.11769	2.9
199.11424	1.9
341.23373	9.1
377.06216	2.3
377.19788	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	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68716	1.0
55.01875	2.1
55.15451	1.1
57.03448	100.0
58.03767	1.9
59.01378	99.1
60.01714	1.0
61.98827	3.7
62.66561	1.1
70.65326	2.6
71.01009	1.9
71.01381	26.7
72.99282	1.9
73.02945	9.4
81.53382	1.1
83.01392	7.2
85.02951	36.2
86.03272	2.1
87.00864	2.6
89.02444	13.4
96.95996	1.9
99.00866	3.6
99.04520	69.9
100.04852	1.4
101.02438	39.5
108.04569	5.3
111.00867	1.8
113.02445	12.3
116.96003	1.3
119.03450	3.6
125.02441	22.2
129.01920	3.7
135.04501	3.3
136.07655	1.6
143.03491	2.4
147.03030	1.7
159.02994	1.2
161.04538	6.7
164.07172	1.6
179.03484	8.8
179.05496	2.1
191.01945	7.6
197.11789	2.5
209.03049	5.7
212.05890	2.3
214.12408	3.0
215.12869	3.7
225.41824	1.2
227.08218	12.4
233.10306	25.1
234.10579	1.5
242.10614	9.6
257.12946	62.2
258.13214	5.9
275.11374	3.8
282.78180	1.2
289.14615	1.3
292.53149	1.1
339.05191	2.1
345.10876	8.1
369.37265	1.1
377.08719	2.8
377.14172	2.2
377.18130	39.9
378.18524	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.8
61.98829	100.0
69.58017	2.4
69.58424	2.6
92.10627	0.8
98.20148	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.6
61.98828	100.0
70.63935	2.9
77.46923	1.0
96.96008	1.0
105.11175	0.9
122.52796	1.0
141.06908	1.0
201.83514	1.2
225.36467	1.0
386.84476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98832	100.0
63.99260	0.9
69.57777	3.5
90.81341	0.5
92.54131	0.5
94.27742	0.5
95.53278	0.6
100.16137	0.6
312.64822	0.6
340.97015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85308	1.0
57.03428	1.4
59.01368	4.3
59.27534	1.3
60.99306	15.8
61.98810	1.7
69.37558	2.7
69.37952	8.6
71.01372	2.5
72.99276	2.1
82.21443	1.0
85.02957	14.5
87.00880	1.7
88.98805	100.0
89.99142	1.9
94.58961	1.0
96.96017	9.5
96.96960	2.0
99.92587	5.0
108.02177	10.3
109.02966	2.0
111.00898	1.9
115.92093	8.4
116.92829	1.5
117.03450	1.7
119.05018	2.6
125.02412	1.4
145.02985	2.3
152.01184	9.5
153.01884	4.3
153.05621	1.5
161.02448	3.8
189.96515	1.4
191.01973	4.2
197.04449	1.5
209.02995	8.7
223.10971	1.1
228.94461	2.3
234.97008	3.4
246.97005	3.7
278.95789	1.5
285.06131	20.5
286.06577	1.2
375.09473	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09569	1.1
57.03447	1.7
59.01378	100.0
61.98830	8.3
63.96241	2.7
69.26075	7.6
69.26496	3.6
71.01385	13.3
72.99305	2.9
73.02943	4.7
78.95873	1.3
83.01389	3.3
85.02956	11.3
88.16500	1.5
89.02451	5.4
96.96017	2.9
98.19974	2.9
101.02415	8.8
109.02936	1.6
111.00907	1.5
113.02435	5.3
119.03525	3.1
129.01985	1.6
135.98372	4.8
151.00331	1.8
156.47235	1.4
161.04553	2.9
164.07138	2.5
165.13023	1.3
188.22372	1.3
201.59409	1.3
208.10905	1.7
211.03490	2.8
215.61143	1.5
329.11404	2.9
331.17532	7.8
373.18893	2.7
374.16910	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.6
61.75450	2.1
61.98832	100.0
63.88279	2.4
70.69524	7.0
89.32355	2.2
90.39626	2.2
93.18641	2.6
96.69792	2.1
96.82819	2.9
97.43176	2.4
117.44749	2.1
124.51004	2.0
153.02142	2.6
158.55554	2.1
211.65970	2.4
293.21194	2.7
339.36115	2.7
374.28928	2.9
393.89896	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1862
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03460	1.4
59.01379	100.0
61.52747	1.0
61.98826	21.7
67.38126	1.1
69.03931	1.0
71.01384	10.8
71.51828	2.3
72.99300	3.0
73.02957	3.5
83.01393	2.1
85.02956	9.0
89.02460	5.1
96.96011	2.1
97.93168	3.5
100.31384	1.0
101.02454	9.2
105.22124	1.2
110.87241	1.3
111.87387	1.0
113.02484	3.9
113.92610	7.7
119.03510	3.5
119.98896	1.3
130.19283	1.1
132.04562	5.4
134.79692	1.1
137.36168	1.2
145.03021	1.4
152.07236	1.3
155.46829	1.1
161.04550	4.3
226.94885	2.2
313.92227	1.3
329.14941	2.0
331.17520	10.5
373.12701	2.2
373.18750	3.1
397.11725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.6
61.98834	3.1
63.96239	24.5
69.27216	4.5
71.01382	1.1
72.99308	20.2
73.02918	0.7
73.98309	5.7
74.99087	3.9
79.48037	0.5
79.95717	1.0
80.96500	0.6
83.01390	0.9
85.02959	3.2
89.02430	0.6
91.99398	1.3
92.93994	0.5
93.38519	0.5
95.04961	0.6
98.20162	2.4
98.20744	0.8
101.02436	1.2
113.02416	1.4
117.97309	14.9
119.03365	0.5
130.08733	3.9
135.98361	100.0
136.98604	1.2
161.02425	1.1
162.02737	0.7
209.02914	0.6
209.04709	0.6
211.03349	0.8
211.05095	0.7
256.51038	0.5
297.12280	0.6
331.17581	1.1
338.19672	3.3
373.13098	0.8
373.16980	8.6
373.26190	1.1
374.17349	1.6
377.39438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20792	0.5
59.01381	4.9
60.85785	0.5
61.98837	0.8
63.96239	23.1
70.52674	1.2
71.01382	0.7
72.99307	18.6
73.98316	5.4
74.99100	3.1
77.99947	0.4
85.02979	1.2
91.99424	0.7
98.20358	1.0
107.58952	0.5
117.97312	16.4
118.97581	0.6
121.02952	3.3
135.04503	0.5
135.98358	100.0
136.98676	1.2
137.50507	0.5
145.03008	0.5
151.00385	0.8
165.09341	0.4
169.39647	0.5
237.05573	0.6
239.07286	0.5
241.08832	0.6
255.06651	1.3
264.07895	0.5
267.06641	2.0
268.07413	1.4
269.08163	4.7
280.07376	1.7
281.08093	2.6
283.09766	2.2
284.10583	0.9
295.09760	1.8
296.10443	0.6
311.09222	2.3
325.07364	0.9
328.09546	2.0
331.17563	0.7
340.09464	3.4
341.09921	0.8
343.11853	12.8
344.12375	1.3
355.11819	9.9
356.12286	1.3
373.16751	9.0
373.20993	0.5
373.26053	2.0
374.17026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56848	0.6
53.80975	0.6
57.03442	1.2
59.01381	17.5
61.98829	3.2
63.96239	25.6
65.00325	0.8
68.04988	0.8
71.01375	5.2
72.99310	18.3
73.02948	2.0
73.98318	6.4
74.20486	0.7
74.99081	2.8
76.30516	0.7
83.01423	0.8
85.02955	2.3
89.02454	3.4
91.99390	0.9
93.03468	0.8
95.01391	0.8
101.02451	4.4
108.02171	0.9
113.02453	2.0
117.97317	17.2
118.96097	0.7
119.03481	1.6
121.02956	9.8
123.04521	1.3
123.08192	1.0
125.02441	1.9
135.04483	3.2
135.98360	100.0
136.98732	2.3
140.51694	0.7
142.50365	0.7
145.02943	2.0
147.04523	2.6
149.06146	0.9
151.00348	3.1
171.10272	0.9
178.99838	0.7
185.11774	1.8
192.68053	0.8
211.13396	1.6
212.04800	0.8
225.05629	1.5
228.93216	0.8
237.05476	1.1
237.07590	0.8
239.07103	1.4
240.04312	0.9
241.04991	1.5
251.07074	0.8
252.07921	0.9
253.04967	1.6
253.08630	2.4
254.05815	1.7
255.06651	4.5
263.07129	1.0
265.08710	1.3
266.05661	0.9
267.06589	10.0
267.09729	1.2
268.07336	4.6
269.08176	13.1
270.08618	1.4
280.07397	4.4
281.08145	7.3
283.09735	9.3
284.10370	3.3
292.03049	2.3
295.09821	6.7
296.10480	2.2
299.13016	1.4
311.09302	7.4
311.12646	0.8
312.09839	1.5
319.59375	0.8
325.07181	1.7
328.09457	4.6
331.17761	0.9
340.09494	13.6
341.10007	1.4
343.11859	40.9
344.12241	4.8
355.11871	29.8
356.12115	3.5
373.05502	1.2
373.18860	15.4
373.25903	18.8
374.18506	2.1
374.26520	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	373.129
Annotation	5,7,2',3',4'-Pentamethoxyflavanone
Peak:m/z	Relative Intensity
53.17002	1.3
57.03437	2.4
59.01379	20.3
61.98821	5.0
62.39822	1.4
67.01881	1.5
69.03442	3.4
69.30786	5.0
69.31209	6.9
81.03461	4.9
83.01379	8.6
85.02962	4.3
89.22646	1.5
93.03482	1.9
95.05022	4.0
97.02948	5.2
98.19946	3.3
101.06147	1.8
108.02186	1.5
109.02940	23.2
109.06660	1.8
116.17783	2.0
116.92831	1.8
121.02947	5.8
123.04530	14.7
123.08154	4.9
125.02459	12.0
125.06078	11.1
135.04556	2.4
137.02452	5.4
139.03984	5.1
149.02448	9.5
151.04034	9.5
159.04482	2.2
161.06082	6.7
163.03961	2.0
165.01875	3.1
165.09178	4.4
166.65318	1.6
167.03465	2.1
167.07112	2.8
169.65146	1.7
175.03938	2.5
175.07617	1.6
177.05608	1.7
179.03470	5.0
179.10789	2.5
187.04074	2.5
188.04729	3.2
201.05547	1.6
202.06451	1.7
203.07123	15.1
205.05049	10.3
209.08191	6.8
221.08206	5.9
227.07156	2.3
245.08150	15.8
246.08665	1.5
247.06100	6.6
248.06650	2.0
263.16470	4.6
277.21765	1.8
287.12857	2.1
289.07205	39.9
290.07529	1.7
329.13916	5.2
341.19608	6.1
373.12915	100.0
373.25873	8.9
374.13391	11.1
374.26294	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
59.44165	0.4
61.98830	100.0
67.13749	0.3
71.40915	0.6
75.40764	0.3
75.65747	0.3
80.61897	0.4
83.01413	1.1
85.02956	0.6
109.17589	0.4
121.02992	0.6
205.29794	0.4
372.28510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.27065	0.9
65.91245	0.9
70.10004	0.9
112.43272	0.8
119.05375	0.9
136.24924	0.9
328.01752	1.1
353.87646	1.0
372.24719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11146	0.8
59.01389	0.9
61.98830	100.0
64.25787	0.8
69.76285	3.6
73.53874	0.8
81.46809	0.8
83.01387	2.4
89.09571	0.7
91.00464	0.7
120.07851	0.8
241.21371	0.7
372.15204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03450	5.2
58.00602	0.6
59.01381	100.0
60.01719	1.4
61.98847	1.8
68.26295	0.4
70.52164	1.1
71.01391	7.9
72.99313	1.6
73.02964	0.6
74.02476	4.3
75.00864	0.9
78.61932	0.4
83.01385	5.4
84.02170	0.8
85.02953	36.7
86.03307	1.4
87.00872	0.9
89.02445	6.5
91.05572	0.5
95.01450	0.4
95.02502	0.4
98.02504	0.8
98.19865	0.3
101.02448	3.5
103.00393	0.4
111.00891	1.5
112.75323	0.3
113.02479	2.2
117.03474	2.2
119.03516	2.6
121.02973	1.6
121.87921	0.4
124.57620	0.3
125.03594	1.7
129.01949	6.1
130.08711	0.5
133.01477	1.7
134.03706	0.4
135.04530	0.9
136.05321	1.2
147.02983	5.7
150.09259	0.7
150.99582	0.6
153.01195	1.4
153.10330	0.4
157.06284	0.8
161.02567	0.4
165.10393	0.7
168.04353	0.6
173.00932	1.2
178.99091	5.5
179.03525	0.5
189.24411	0.4
191.02002	7.2
191.03664	0.7
192.02359	0.5
192.09142	0.5
197.00165	1.4
197.04639	1.2
207.11446	0.6
209.03038	22.7
210.03484	1.3
212.30028	0.4
218.47455	0.4
221.09427	0.7
265.02820	0.5
296.12759	0.6
327.02786	2.4
328.15118	10.0
356.12674	0.4
371.13434	12.5
372.10248	0.5
372.14035	0.7
372.17780	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	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
56.28095	0.4
57.03452	7.9
59.01377	6.6
65.13339	0.5
68.99818	1.2
69.71642	2.6
71.01379	7.4
72.99307	2.5
73.02891	0.5
75.00890	1.2
82.44140	0.5
83.01382	1.8
84.02151	1.9
85.02949	70.3
86.03291	1.6
87.00871	1.6
89.02444	3.8
98.19819	0.5
101.02415	0.9
102.98718	0.6
103.00362	1.9
111.00888	3.4
115.00345	1.2
129.01926	6.4
133.01418	4.8
135.04498	3.5
147.03020	4.2
173.00888	1.9
179.03455	1.4
191.01967	26.5
192.02307	0.9
194.02802	0.5
203.62595	0.5
209.03018	100.0
210.03351	3.6
233.70702	0.5
288.54218	0.6
358.74878	0.5
371.06097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0617
Annotation	2-O-Caffeoylglucarate
Peak:m/z	Relative Intensity
55.01879	0.6
57.03449	4.8
59.01371	3.9
71.01380	4.6
72.99308	1.2
75.00862	1.0
77.07819	0.4
83.01374	0.9
84.02163	0.8
85.02950	37.3
86.03280	0.8
87.00883	0.8
89.02448	2.2
98.20649	1.2
103.00354	0.8
111.00868	1.9
115.00355	0.7
129.01942	3.8
133.01443	2.8
135.04491	1.6
147.03017	3.6
173.00919	1.1
179.03502	1.2
191.01971	18.5
192.02312	1.0
195.68216	0.4
209.03021	100.0
210.03354	4.3
212.01297	0.5
322.35712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
57.03449	7.7
59.01371	4.8
69.71419	2.1
69.71824	0.8
71.01379	7.3
72.99298	1.3
75.00870	1.2
83.01376	1.3
84.02167	1.7
85.02949	55.4
86.03288	1.0
87.00861	1.1
89.02444	3.7
93.73547	0.4
95.97621	0.4
103.00378	0.9
111.00885	1.4
115.00355	1.0
129.01961	3.4
133.01431	4.8
135.04465	2.6
142.56870	0.5
147.02979	4.2
165.41216	0.5
173.00912	0.8
179.03476	1.2
191.01968	16.5
192.02319	0.4
209.03017	100.0
210.03372	5.4
227.11713	0.4
236.77560	0.4
350.35742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11029	0.6
56.12832	0.5
59.01374	1.6
61.98829	100.0
64.96092	0.6
71.01379	0.7
83.01385	6.7
85.02969	3.0
93.37331	0.6
98.20396	4.7
108.27936	0.6
121.02943	2.1
129.01904	0.6
136.05334	1.3
168.04256	0.9
206.46657	0.7
209.03008	4.1
243.45665	0.6
303.70657	0.6
360.12585	0.6
371.14728	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	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16262	0.8
51.44315	0.7
59.01376	4.6
61.98832	100.0
66.54168	0.7
69.56817	1.4
69.57230	2.8
71.01367	1.3
83.01397	7.2
85.02958	10.1
89.40923	0.6
98.19968	0.9
115.64822	0.7
121.02975	2.4
126.12094	0.6
126.89610	0.7
126.90536	0.8
129.02005	0.8
136.05331	2.4
174.71761	0.9
176.67654	0.7
191.02089	3.1
209.03021	9.6
213.29549	0.7
371.14868	3.7
371.24722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47651	0.9
51.45088	0.8
55.01860	2.0
57.03447	10.1
59.01380	10.2
62.78286	0.8
62.97614	0.8
68.99816	1.8
70.82977	1.6
70.83301	0.9
71.01383	13.4
72.10190	0.8
72.99310	2.6
75.00858	2.2
83.01373	2.8
84.02154	2.1
85.02951	72.3
86.03297	1.1
87.00864	2.1
89.02441	4.3
98.20593	1.1
103.00339	1.1
111.00871	4.5
115.00361	1.1
123.54601	0.9
129.01942	5.2
133.01433	5.5
135.04543	4.8
142.08467	0.9
147.02963	4.6
173.00888	2.0
179.03461	1.3
191.00259	1.5
191.01967	21.9
209.03020	100.0
210.03264	4.1
211.87021	0.8
212.46432	1.1
238.06630	0.9
284.39700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2434
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
58.33736	0.3
61.13872	0.3
61.98812	0.3
65.03587	0.2
70.65540	0.7
71.23302	0.2
78.95893	0.8
85.02969	0.2
96.96964	0.3
98.92783	0.3
104.02660	0.9
117.07101	0.3
117.38286	0.2
128.87329	0.2
130.89320	0.3
133.10236	2.6
147.08170	1.0
149.09737	0.6
151.11281	0.6
158.21159	0.2
161.09708	1.6
163.11284	100.0
164.11595	6.1
179.10767	19.8
179.12453	0.3
180.11133	1.4
187.11275	0.8
193.12328	24.6
194.12692	2.1
205.08786	0.5
279.13956	0.4
280.14603	0.7
293.52518	0.3
307.16956	0.3
309.22192	0.7
309.64517	0.3
321.18423	0.3
337.21729	12.8
338.22067	1.9
369.24319	86.4
370.24649	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	369.2198
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
57.06950	0.4
59.01382	0.5
64.58227	0.4
70.86679	0.4
78.95905	100.0
85.02956	0.4
95.96161	0.8
96.96964	32.8
98.19735	0.4
99.92570	0.5
173.42857	0.4
215.60089	0.4
229.45410	0.5
369.17291	0.7
369.22000	14.8
370.22186	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	369.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01394	5.1
61.98830	8.2
69.03438	4.7
71.01371	1.4
71.52155	1.0
82.19493	1.0
85.02956	3.5
97.02962	7.1
108.02113	1.4
109.06548	1.4
110.03777	1.8
111.00891	1.1
123.08189	3.5
125.09696	2.7
135.08208	1.0
136.05260	2.0
137.09698	1.3
142.02701	4.0
161.09718	2.3
163.11293	13.0
173.69023	1.1
179.10765	7.2
195.13924	2.3
207.10245	59.6
208.10518	4.7
221.11781	1.2
232.19928	1.1
239.12883	100.0
240.13258	6.7
245.16211	1.4
256.72943	1.0
268.13092	1.7
271.15494	10.0
274.26648	0.9
369.17337	1.3
369.22476	2.1
369.26578	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.3
57.03448	11.2
59.01379	10.5
63.87578	0.8
64.21111	0.8
68.99806	1.4
69.48879	2.3
69.49300	3.0
71.01384	14.0
72.99329	3.8
73.02901	0.8
75.00874	3.4
83.01386	14.5
84.02171	2.5
84.87760	0.8
85.02950	100.0
86.03281	2.7
89.02438	3.0
98.19903	1.4
98.20483	2.0
99.00877	2.9
103.00382	1.9
111.00871	14.0
115.00378	1.6
117.03484	1.7
118.03775	0.8
119.05026	20.9
125.02497	1.3
129.01945	15.7
133.01448	2.0
143.03490	6.7
145.02946	7.5
147.02998	7.4
147.75473	0.8
154.99916	1.2
163.04027	23.4
164.02238	0.9
164.04378	1.5
168.61472	0.7
172.99467	1.4
173.00912	20.7
191.01988	60.2
192.02327	2.3
203.07094	1.1
205.03493	1.1
223.04597	46.4
224.04985	1.6
231.06599	2.3
319.04782	1.2
337.05551	3.6
347.50034	0.8
347.54846	0.8
369.08212	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24733	1.2
55.01877	8.2
57.01086	1.3
57.03444	13.6
59.01381	14.2
61.98819	2.2
67.01895	1.5
68.99814	1.4
71.01380	33.9
71.27595	2.5
72.99309	11.6
75.00856	3.0
83.01384	33.7
84.01708	1.4
84.02182	2.4
85.02946	100.0
86.03283	2.2
87.00881	2.3
89.02444	5.4
93.03436	2.6
99.00874	3.6
101.02400	1.9
103.00388	1.4
111.00172	2.0
111.00885	24.3
112.01172	1.4
115.00360	5.3
115.03970	1.9
117.03456	3.7
119.05025	73.4
120.05348	3.7
124.14599	1.2
125.02434	5.2
129.01938	43.8
130.02278	1.5
133.01436	6.6
143.03491	20.6
145.02946	25.4
147.02963	6.2
147.04480	1.9
154.99831	7.5
163.04007	84.0
164.04321	5.5
173.00908	52.0
174.01231	1.9
185.06001	1.9
187.02519	1.6
191.01952	51.7
201.05363	1.4
203.07111	5.4
205.03532	3.6
223.02525	2.6
223.04579	37.9
224.04741	1.7
231.06624	11.6
319.04669	3.1
337.05664	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55616	0.9
50.62780	1.0
52.67213	0.8
52.75446	0.9
55.01874	2.5
57.03452	9.4
59.01374	3.8
64.34992	0.9
64.87831	0.9
69.72758	4.9
71.01371	4.4
72.99312	1.1
73.02937	2.1
75.00867	2.2
81.88689	0.9
83.01389	4.8
84.02150	1.3
85.02947	60.5
86.03293	1.3
87.00875	1.8
101.02452	6.9
105.95193	1.0
111.00880	24.6
119.05034	4.3
122.05158	0.9
122.27096	0.9
129.01933	21.8
130.38310	1.0
145.02924	1.2
147.02989	2.3
161.04507	2.0
163.03999	6.0
164.56201	1.0
173.00949	1.0
187.02443	2.0
205.03535	25.2
209.84908	0.9
223.04581	100.0
224.04955	4.8
353.66861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.7
61.98830	100.0
68.76701	1.0
91.15489	0.9
229.19260	1.6
234.65015	0.9
315.39108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21919	1.5
59.01373	3.2
60.18762	1.4
61.98832	100.0
70.78550	4.0
74.38885	1.3
79.95760	1.3
84.11958	1.5
190.40059	1.8
193.66545	1.4
211.28291	1.5
250.26491	1.5
369.17322	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36756	1.0
55.01876	4.4
57.03446	17.6
59.01381	1.8
65.41138	1.1
67.01883	1.4
67.78762	0.9
69.79218	4.9
71.01378	5.8
72.99295	1.5
73.02931	2.3
75.00868	1.2
83.01389	9.4
84.02158	2.0
85.02951	100.0
86.03279	2.4
87.98128	1.0
98.20619	1.9
101.02431	6.8
111.00880	30.8
119.05027	11.7
129.01942	48.2
130.02306	1.3
139.45044	1.0
143.03534	0.9
145.02986	1.9
147.02995	0.9
155.12996	1.0
161.04486	2.3
163.03992	8.6
173.61964	1.1
187.02386	2.7
205.03511	24.4
223.04584	45.6
224.04865	2.1
235.04683	0.8
239.63681	1.0
245.26913	0.9
369.08179	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	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.41472	0.6
59.01390	0.9
61.98826	1.2
65.08406	0.7
70.73347	2.0
71.89384	0.7
84.10863	0.8
122.25030	0.7
133.06581	1.7
149.09718	74.4
150.10049	4.1
161.10771	0.7
174.89102	0.7
205.15967	76.0
206.16228	5.2
269.02213	0.8
367.26416	100.0
368.26736	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	367.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81379	0.9
60.97953	0.8
71.42624	1.5
86.84884	0.8
95.27460	0.9
104.71239	0.8
126.32556	0.8
131.61029	0.7
133.06602	9.0
149.09721	75.2
150.10062	5.0
173.94301	0.8
205.15967	44.4
205.32239	0.9
206.16299	4.0
227.38324	0.8
295.17035	2.8
296.17371	1.1
328.16684	1.6
367.26431	100.0
368.26837	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	367.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.6
59.01381	100.0
60.01706	1.1
61.98839	2.2
63.22636	0.4
70.05531	1.4
70.05949	1.3
71.01386	1.0
72.99309	0.6
83.05038	0.6
84.36971	0.5
85.02962	0.9
89.02502	0.7
96.96028	1.9
109.06594	9.0
111.08173	0.7
115.92094	0.6
121.06606	2.4
124.70565	0.6
126.90527	1.3
129.02000	0.6
136.58502	0.5
161.09846	0.5
187.11305	1.2
189.12869	1.7
205.08749	1.1
205.12410	0.6
213.59082	0.5
219.09927	0.6
229.12354	5.1
231.13911	16.6
231.16129	0.9
232.14424	1.9
242.44379	0.6
249.14966	0.6
359.29730	0.6
367.14279	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	367.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46158	1.1
53.46408	0.9
58.27525	1.0
59.01377	100.0
59.67874	0.9
60.01692	1.4
64.11262	0.8
65.74525	0.9
68.03909	0.9
70.65170	0.9
139.88043	1.0
213.66919	1.0
221.15468	1.9
253.52985	1.1
373.04089	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58565	0.7
57.03449	1.3
57.09718	0.6
58.23129	0.6
59.01380	100.0
61.55019	0.7
61.98834	2.5
63.26007	0.6
67.88281	0.6
68.68983	0.7
69.30086	2.8
69.30513	3.6
85.02910	1.5
85.60574	0.7
96.96025	2.9
99.92587	1.0
109.06612	1.3
121.06590	1.3
127.07389	0.7
162.14677	0.8
201.12822	0.7
231.13974	3.0
307.19363	1.0
367.14185	0.9
367.21585	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52219	0.3
55.01878	3.4
56.09007	0.3
57.03452	5.0
59.01380	13.7
68.99806	0.4
69.17684	1.1
69.18110	2.1
71.01378	3.9
72.99322	0.7
73.02947	1.0
73.66036	0.3
83.01386	13.8
85.02952	6.3
87.00842	0.4
89.02448	0.6
89.03984	0.4
98.20605	0.7
99.00875	10.3
101.02450	1.3
105.03416	0.7
108.05485	0.4
109.02959	0.8
111.00880	4.8
113.02441	1.0
115.00385	0.4
115.04017	1.0
125.02444	1.0
127.00403	0.8
129.01944	25.8
130.02295	1.0
132.02200	1.6
133.02959	31.9
134.03671	1.3
135.04529	9.1
143.03502	15.3
144.03751	0.5
145.01410	2.8
147.22775	0.3
154.99907	0.5
161.02441	100.0
161.04619	2.6
162.02769	5.8
168.50531	0.3
173.00903	20.4
174.01181	0.8
175.04016	0.5
179.03505	6.6
193.05075	0.8
196.65407	0.3
205.03481	3.3
207.49582	0.3
217.05191	0.5
219.03011	1.1
229.04953	0.5
247.06119	0.4
261.07919	0.4
271.32242	0.3
273.04062	1.1
307.17624	3.8
335.04010	3.5
336.04315	0.5
367.06671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.8
61.98829	100.0
62.14718	3.2
66.02718	2.9
70.52741	4.6
70.53084	5.5
75.60524	2.7
79.88221	2.7
94.65910	3.2
98.20076	4.3
100.11598	2.5
143.41632	3.3
145.84151	3.1
166.01033	2.7
172.02284	3.0
190.62918	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	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10067	1.7
55.01889	2.2
57.03444	13.3
59.01381	16.3
61.98837	3.6
69.25496	7.4
69.25921	8.4
71.01385	6.4
72.41568	1.6
72.99300	2.2
83.01395	6.9
84.02174	5.3
85.02951	100.0
86.03295	2.3
89.04023	2.0
96.96009	5.9
98.19846	3.3
98.20540	6.5
99.00884	1.9
111.00888	7.7
117.03468	5.4
123.04536	2.8
125.02435	5.0
129.01942	46.8
130.02196	2.2
130.90884	1.7
132.02173	4.7
133.02975	26.1
134.03749	72.6
135.04553	25.3
137.02454	4.4
143.03476	5.3
144.03796	1.8
147.02994	7.4
149.06102	14.5
160.01646	19.9
161.02440	94.3
162.02820	6.8
173.00879	3.5
175.04005	35.3
176.04330	2.6
178.02733	5.8
179.03513	28.9
183.10233	2.8
191.01950	33.6
193.05048	46.1
194.05440	3.1
201.11281	3.6
205.12408	4.0
218.05867	5.9
233.08212	3.1
261.07654	37.7
262.08044	2.2
323.08105	4.7
367.06686	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	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85148	1.3
55.01871	2.6
56.16381	1.3
57.03446	19.0
59.01376	3.4
59.95282	1.3
66.88012	1.2
69.40005	9.9
71.01376	1.7
72.99284	3.8
83.01389	10.4
83.60445	1.5
84.02175	3.5
85.02949	100.0
86.03310	2.4
99.64754	1.1
111.00830	3.2
126.23544	1.3
129.01941	50.6
130.02281	1.7
132.02182	2.8
134.03740	28.2
135.04214	1.3
137.02406	1.6
147.02989	53.4
148.03316	2.0
149.06032	3.6
154.99831	8.5
160.01654	11.9
161.02399	1.5
166.13474	1.3
173.00903	47.8
173.02411	2.8
174.01250	1.8
175.03989	14.0
181.34425	1.3
193.05037	12.0
227.52045	1.7
233.08168	3.0
261.07602	3.6
275.05771	1.7
286.43277	1.3
349.05688	1.7
367.06482	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	367.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68890	0.5
55.01873	4.5
57.03445	7.0
59.01368	2.4
69.60015	0.9
69.60425	2.4
71.01383	1.9
72.99326	0.9
83.01389	16.1
85.02955	11.2
99.00882	8.5
101.02433	0.6
111.00874	4.5
114.02057	0.5
117.03493	0.8
125.02451	1.3
127.00381	0.8
129.01942	30.9
130.02292	1.2
132.02170	1.0
133.02954	26.9
134.03764	8.8
135.04530	13.8
136.04883	0.9
137.02477	0.7
143.03500	14.5
144.03835	0.6
145.01430	2.8
149.06049	1.5
150.03360	0.6
151.62187	0.6
154.99843	2.4
160.01666	1.9
161.02437	100.0
162.02802	4.9
173.00906	26.6
173.06143	0.5
174.01274	1.0
174.03238	0.7
175.03973	4.1
178.02763	0.5
179.03510	9.5
189.05594	1.2
193.05023	4.7
200.04735	0.6
205.03584	3.2
205.05174	0.6
205.12309	0.7
217.05046	0.8
218.05724	0.8
219.02939	1.5
219.06534	1.1
230.02032	0.6
233.08162	1.2
247.06006	0.7
255.44073	0.8
261.07620	4.0
273.04135	1.3
335.03955	4.1
347.94205	0.6
349.05746	1.1
367.06448	3.1
368.06955	0.7
380.86545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
57.03441	12.0
59.01372	3.0
68.99818	1.4
71.28955	1.9
72.99306	5.6
75.13290	1.1
80.19812	1.3
81.67078	1.1
83.01389	25.2
84.02152	2.4
85.02946	49.7
94.07246	1.2
99.00874	4.5
111.00883	16.0
112.97855	1.3
113.02403	1.2
117.03449	1.9
121.97533	1.2
125.02454	2.7
129.01939	62.7
132.02182	3.5
133.02962	26.0
134.03749	41.4
135.04530	58.8
136.04836	2.5
137.02415	3.4
143.03514	9.5
147.02989	6.3
149.06085	8.4
150.63513	1.3
154.99899	12.5
160.01675	10.0
161.02438	100.0
162.03024	6.0
163.03976	4.7
173.00906	53.7
173.02411	3.0
173.06090	2.0
174.01222	3.1
174.03152	2.5
175.04012	18.0
178.02687	3.1
179.03481	28.9
186.69565	1.2
189.05568	5.4
191.01949	4.0
191.03514	2.7
193.05048	23.2
194.05338	1.6
200.04823	1.8
201.05632	1.7
202.06290	1.8
205.03569	2.3
215.07103	3.8
217.05046	7.0
218.05763	3.8
219.02971	9.5
219.06367	1.5
233.08150	5.5
259.06155	1.7
261.07645	16.4
291.04965	1.4
292.35251	1.2
335.04111	7.3
349.05560	6.4
367.06656	15.4
368.06696	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	367.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20673	0.5
55.01865	2.2
57.03449	13.9
59.01382	3.0
68.99812	0.7
69.01051	0.5
69.50076	0.9
69.50480	3.0
71.01384	5.6
72.99306	4.4
75.00877	0.7
83.01396	2.8
84.02166	2.1
85.02951	100.0
86.03288	2.2
98.20226	2.2
103.00350	1.2
111.00915	3.4
117.03458	1.2
117.95533	0.6
119.84718	0.5
129.01945	17.8
132.02159	1.3
134.03743	12.0
135.04558	0.8
147.02994	35.0
148.03374	0.8
149.06137	1.6
160.01660	12.2
161.02457	3.1
173.00931	3.3
175.04002	18.6
176.04367	1.0
191.02042	1.0
193.05052	10.0
226.29747	0.6
261.07648	1.3
323.07620	9.5
324.08041	1.0
329.59686	0.6
367.06448	0.8
368.13757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	34.3
61.98825	100.0
64.03976	21.4
70.13687	21.6
71.51234	25.7
72.36956	21.7
88.43889	23.4
89.25065	26.8
90.66912	24.1
101.12009	21.3
156.91064	23.7
164.87682	21.2
171.17451	23.0
212.89630	24.5
276.70233	23.7
282.44318	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	367.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.7
55.45132	0.6
57.03444	2.3
59.01379	57.6
60.01712	1.0
61.98828	3.5
67.01895	5.9
71.01376	11.1
71.50922	1.3
72.99308	4.5
73.02942	2.9
74.02093	0.6
74.99107	1.9
83.01379	5.3
85.02950	27.1
87.00851	0.9
89.02411	1.6
95.01367	1.4
96.96034	1.0
97.57041	0.6
99.00862	1.1
99.11409	0.7
101.02444	5.6
111.00881	100.0
112.01237	3.2
113.02433	5.2
122.21680	0.7
125.02470	0.9
129.01936	6.0
130.97577	0.7
133.02983	1.5
134.03751	4.1
135.04556	0.8
136.05304	1.1
136.99159	1.7
137.02464	0.7
138.06844	0.9
147.03004	2.5
151.07625	0.8
152.08427	6.3
153.09229	5.2
154.99864	12.9
156.00305	1.1
161.02432	3.3
161.04544	4.1
173.00905	37.9
174.01299	1.2
175.03932	1.2
179.03429	1.3
191.01985	5.2
191.05659	3.2
193.05078	2.2
205.03468	0.8
205.12305	6.7
247.61960	0.7
307.17633	7.3
308.17746	1.5
367.14008	0.9
367.18045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80476	0.7
55.01876	0.8
57.03450	1.5
59.01381	100.0
60.01721	1.3
61.98841	3.1
70.92848	0.6
71.01385	7.7
72.99301	1.0
73.02955	2.5
74.99081	0.8
75.00911	0.9
80.96555	0.6
83.01408	0.9
85.02957	7.6
87.00902	0.9
89.02462	2.9
93.12487	0.7
95.01412	0.8
96.96037	1.8
97.02930	0.8
99.00892	1.7
101.02431	6.9
108.04595	0.8
113.02446	3.4
115.07657	1.1
117.03533	0.8
119.03521	0.8
129.01987	1.1
131.03783	1.0
134.03757	2.7
135.04530	0.7
143.03572	0.8
144.04510	1.5
159.03062	0.7
160.06445	1.1
161.04588	4.0
161.07213	2.2
189.06764	2.6
189.09308	0.8
190.64481	0.7
191.01987	1.4
193.05069	2.3
200.10904	0.7
203.08252	1.4
203.12877	2.4
204.06659	4.6
229.09853	1.2
298.45349	0.7
305.11560	2.9
305.16141	8.2
306.16565	1.2
365.08600	0.9
365.13416	1.5
365.18198	8.8
366.12158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77481	1.1
57.03449	100.0
58.03779	2.4
59.01380	72.8
70.50243	2.5
70.50566	1.4
71.01382	12.0
73.02946	5.2
81.03414	1.1
83.01396	4.0
85.02941	8.5
89.02437	2.0
89.65816	1.0
99.00891	1.9
99.04519	67.8
100.04874	1.4
101.02444	34.4
113.02448	7.1
116.57166	1.2
119.03445	1.7
121.12528	1.2
122.46121	1.2
125.02454	17.2
135.58260	1.2
137.59596	1.3
143.03493	3.0
159.02983	1.2
161.04510	5.4
221.10303	34.2
222.10448	1.6
263.11377	3.8
303.14499	1.4
365.14529	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	365.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.7
58.00577	1.2
59.01378	100.0
60.01703	1.4
61.98824	1.1
62.42862	0.8
69.03441	5.3
70.03577	3.2
71.01379	18.4
72.99302	3.6
73.02930	3.0
75.00860	1.5
78.08452	0.8
79.95756	1.1
80.96503	1.6
83.01391	2.5
83.52707	0.8
85.02950	11.6
87.00870	1.6
88.08134	0.9
89.02440	13.5
95.01381	2.4
96.95993	2.2
97.02935	2.5
99.00864	4.2
99.04498	5.9
101.02440	14.4
101.93111	0.9
111.00842	1.3
113.02463	7.6
119.03495	7.0
121.02966	1.0
125.02467	1.6
134.72112	0.8
135.04494	3.6
143.03522	1.0
159.06644	0.9
161.04523	4.7
169.06898	0.9
179.03453	2.1
185.00873	2.4
185.11789	2.0
191.01997	0.9
203.01958	9.6
203.12897	4.9
221.10281	2.7
250.21629	1.0
258.86368	0.9
277.10913	0.8
305.16058	9.3
355.77704	0.9
365.08691	1.2
365.18137	36.7
366.14481	1.0
366.18500	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03448	100.0
58.03783	2.1
59.01380	80.9
69.50104	6.9
71.01379	13.1
73.02951	5.6
73.09986	1.0
73.53056	0.9
75.59351	1.0
81.03436	1.4
83.01385	3.6
85.02940	7.4
95.01393	1.1
99.00873	1.2
99.04520	74.8
100.04846	2.6
101.01802	2.0
101.02445	36.6
113.02457	7.0
125.02444	18.6
126.02844	1.1
129.05675	1.0
143.03461	2.9
159.02954	1.7
160.82921	1.0
161.04544	5.2
221.10298	40.1
222.10587	2.2
263.11288	2.6
303.14438	2.4
312.96298	1.0
365.14572	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	365.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	11.8
59.01385	10.9
61.78228	5.7
71.01377	45.2
71.50904	4.8
72.99328	7.4
73.02948	5.2
76.76211	4.4
78.95936	10.3
81.66132	5.1
83.01379	7.0
85.02971	30.7
87.00874	81.7
87.92522	11.2
96.96014	78.1
96.96956	6.8
99.00900	31.1
103.92030	17.8
111.00879	79.7
112.98820	97.5
115.00320	12.0
118.94182	8.0
123.66094	4.6
124.98785	6.9
129.01920	20.9
142.99855	72.8
145.01498	6.4
168.88916	5.9
173.00903	100.0
191.01970	54.2
228.97522	13.2
260.88831	7.7
335.27048	4.8
364.89932	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	364.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.0
61.98832	100.0
63.02403	2.6
63.74923	1.0
65.00335	5.0
71.01379	1.4
71.52592	1.3
72.86684	1.2
83.01390	4.5
85.02986	1.5
88.12818	1.1
107.01400	11.0
109.03004	1.2
113.02302	1.3
121.02950	9.0
149.02414	1.2
151.00372	39.0
152.99652	1.1
161.04787	1.6
161.06075	12.7
178.99835	14.4
229.04898	1.5
242.02756	1.2
273.04123	1.8
301.03525	77.6
302.03882	9.0
341.72971	1.2
345.31741	1.1
354.91415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57502	5.1
55.64623	5.6
59.01379	83.1
60.01706	6.9
61.01794	6.8
61.98536	8.2
61.98833	100.0
71.51678	7.5
136.31464	5.8
173.66356	5.4
218.07471	5.2
219.06958	11.6
220.07042	10.7
254.34634	5.1
302.16385	7.1
303.16583	11.3
304.16611	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47504	1.6
59.01379	100.0
60.01709	2.5
60.96527	1.7
61.98830	25.9
68.99615	2.5
69.67270	4.6
69.67682	5.5
87.92525	2.2
97.93228	1.7
98.20631	3.9
99.92582	4.4
103.92023	8.7
112.98568	3.8
118.99279	2.8
122.89437	2.7
130.94360	2.5
137.00258	1.9
141.86801	7.8
142.46918	1.8
143.86552	9.5
145.86287	4.3
150.94736	2.8
160.84195	2.4
161.87538	2.1
187.86072	6.2
188.96854	2.4
188.98505	3.5
189.85861	8.3
190.96463	17.9
190.97891	4.5
191.85355	2.1
192.95808	6.0
193.86028	4.0
202.92781	2.3
206.82411	12.5
206.93680	3.6
217.00264	2.7
218.90457	2.8
222.95134	5.1
232.97490	25.0
233.97839	2.3
236.87921	2.1
238.85876	2.8
260.91577	2.9
262.89420	4.0
278.92676	4.3
280.90637	2.4
304.90417	7.2
318.90674	2.4
322.91559	29.0
336.89359	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	363.0755
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
55.01869	0.6
57.03444	1.1
58.68402	0.4
59.01110	0.7
59.01380	8.4
61.98834	0.9
67.09376	0.3
67.59637	0.3
69.93576	0.6
69.93979	1.4
71.01377	4.5
72.31905	0.4
72.99292	1.0
73.02956	0.4
73.61729	0.3
79.95745	3.3
80.96507	2.3
83.01372	0.7
85.02949	8.2
86.03291	0.6
87.00880	0.7
87.03303	0.4
89.02448	2.3
95.95205	0.5
96.96011	86.4
97.95924	0.6
98.20555	0.5
101.02435	2.5
110.05366	0.4
111.00880	0.7
112.98635	0.3
113.02447	0.9
119.03481	0.5
119.05071	0.4
122.97602	1.4
129.01939	0.7
131.38023	0.4
135.04544	0.8
138.97067	1.6
147.02988	0.4
150.97099	2.0
152.98703	0.4
161.04509	0.5
164.98576	0.6
179.03485	1.0
180.98123	1.3
191.01932	1.2
200.84216	0.4
200.98384	0.6
209.03047	1.6
241.00206	3.6
307.56885	0.4
363.07526	100.0
364.07828	10.5
380.68527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98835	3.0
71.51461	3.0
73.03005	2.2
168.33934	2.2
206.20174	2.3
222.48920	2.5
380.02725	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	363.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03436	0.8
58.00584	0.5
59.01377	10.8
71.01379	8.2
71.51107	0.3
71.51770	0.3
72.99305	12.4
73.02951	3.9
77.10896	0.3
77.18614	0.3
78.48925	0.3
83.01393	2.6
85.02946	5.5
86.00092	0.5
87.00882	0.7
89.02460	1.8
95.01370	0.8
96.96011	6.8
99.00855	1.6
101.02441	10.5
103.13804	0.3
108.48579	0.3
111.00881	0.5
111.92229	0.3
112.54079	0.3
113.02442	3.1
119.03506	0.8
129.01875	0.4
152.98627	0.5
155.10789	0.7
159.02933	0.4
161.04529	0.6
183.10281	1.6
201.11310	2.5
216.29214	0.3
241.00200	6.2
241.02519	0.5
244.78058	0.3
289.61133	0.3
317.16025	0.7
345.15567	2.2
363.16583	100.0
364.16898	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14138	0.2
55.01881	1.1
57.03448	1.6
58.00581	0.7
59.01381	13.4
60.01712	0.2
61.98816	0.4
66.17400	0.2
67.25151	0.2
69.03442	0.5
70.88968	0.3
70.89294	0.3
71.01380	16.4
71.05006	0.6
72.01737	0.4
72.99316	1.2
73.02943	2.8
75.00911	0.2
76.03207	0.2
80.57863	0.2
83.01380	2.6
83.05011	0.3
85.02460	0.4
85.02952	6.6
86.00100	0.5
87.00867	1.1
89.02443	4.0
94.15604	0.2
95.01382	1.1
97.02953	0.5
98.20139	0.3
99.00895	1.3
99.01440	0.2
101.02440	6.5
102.92008	0.2
111.00848	0.9
112.01638	0.3
113.02451	3.5
119.03500	1.0
125.02442	0.4
129.01924	0.5
153.12834	1.5
159.06589	0.3
181.12308	2.3
199.13385	14.4
200.13715	1.1
209.17068	0.2
211.13467	0.2
241.14427	0.3
343.17590	3.2
344.18076	0.3
361.18652	100.0
362.19009	11.1
362.22501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
55.01880	0.7
57.03436	2.3
58.00579	0.6
59.01380	31.1
69.37477	1.3
69.37897	2.7
71.01382	15.6
72.99307	11.9
73.02932	1.0
74.38141	0.5
80.57207	0.6
83.01385	1.8
85.02457	1.0
85.02950	12.3
87.00856	1.1
89.02444	12.1
95.01392	1.4
101.02441	9.9
101.55270	0.5
111.00909	0.5
113.02450	4.8
119.03502	2.5
119.08670	2.7
123.30717	0.4
129.01912	1.2
133.06546	1.5
135.08154	1.6
138.05573	0.8
145.02945	1.3
147.03026	0.9
156.75333	0.5
163.04008	0.6
163.07629	6.9
181.08701	10.6
191.01956	1.3
199.09645	1.1
200.26454	0.5
209.03041	1.4
301.11179	0.6
339.05200	1.4
342.47559	0.6
349.47351	0.5
361.15015	100.0
362.15350	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	359.846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59104	1.6
59.01384	2.4
64.64288	1.5
70.07111	6.4
71.01388	2.7
78.95893	4.4
85.02956	9.9
87.92534	100.0
88.92585	2.3
88.98801	4.1
96.95992	10.1
103.92034	34.4
104.92791	9.6
105.93578	13.6
119.91488	4.2
123.94659	7.5
125.19126	1.5
133.86052	1.5
140.16570	1.4
143.91519	1.7
155.43904	1.5
160.91782	18.1
183.87569	1.5
187.90501	19.9
231.89525	15.2
231.93040	2.2
243.15088	1.7
250.73526	1.7
287.84256	1.8
354.19846	1.6
359.09958	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48489	1.4
59.01379	22.9
69.29812	10.1
98.20603	2.8
102.81480	1.2
102.99816	1.1
117.99900	1.2
130.82362	1.4
144.17232	1.6
175.10135	1.4
180.24211	1.1
181.67099	1.3
200.68251	1.1
277.21713	100.0
278.22040	11.2
359.21985	24.9
359.26096	1.6
360.22217	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98819	44.5
71.52135	68.8
75.69380	39.3
117.07191	42.8
139.82054	47.9
181.33670	40.9
188.38622	44.2
199.09738	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	55.4
65.06867	32.2
78.65760	30.1
97.67371	30.6
98.19883	100.0
118.00278	35.2
129.37384	35.3
143.77452	35.1
146.89664	33.8
208.06799	34.0
277.62195	31.6
323.22195	99.9
359.27783	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82020	14.2
59.01376	56.3
63.36757	17.1
64.19361	13.6
64.34158	15.1
65.10945	14.2
71.05024	83.7
71.52022	17.5
74.39292	15.9
81.17663	17.6
95.05026	35.7
101.06901	15.3
104.49423	15.9
109.06576	36.3
165.09215	28.6
189.12836	41.8
243.17349	31.3
287.16556	100.0
305.17551	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1496
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
51.45448	1.7
57.03447	2.3
57.26501	1.4
59.01378	11.3
61.98821	2.2
68.46087	1.3
69.26123	13.4
71.01375	2.7
72.67786	1.7
72.99301	1.9
80.96487	1.5
84.02144	2.9
85.02934	7.5
87.00883	2.3
89.02444	2.3
98.20177	6.3
99.00896	2.9
100.70197	1.7
109.02232	2.5
109.02950	35.0
111.00858	2.9
117.03466	16.2
119.04269	2.4
119.05042	25.1
121.02902	3.9
121.42000	1.6
122.03695	1.6
123.00677	5.0
123.04514	3.0
124.01704	2.9
131.05035	3.3
133.02905	1.6
145.02956	62.4
146.03368	2.0
147.04538	4.5
151.00134	17.4
158.03708	3.5
159.04501	18.7
163.04001	9.4
173.06096	10.8
175.03983	3.4
176.04684	2.2
177.01863	1.7
185.02170	3.9
185.06052	5.8
187.03989	2.0
189.05519	8.7
190.06319	2.5
191.07138	3.5
194.99074	14.2
197.11812	2.9
199.03789	6.9
201.05595	3.6
203.03497	8.9
203.07129	4.5
213.05576	4.2
225.05305	3.2
227.03276	7.0
231.02943	3.8
240.04268	6.4
241.05061	21.9
242.05542	2.1
243.02965	2.2
245.04555	1.8
253.01210	6.1
253.04794	6.8
255.06683	14.4
256.07169	2.4
261.04031	2.9
267.06644	2.3
269.08124	3.7
283.10031	2.3
297.03857	2.2
299.06055	1.7
299.09216	8.8
313.10727	7.3
323.07886	5.3
327.12488	2.1
329.10281	13.4
341.02933	9.5
341.11392	2.3
343.11752	4.6
344.12650	31.6
345.12961	3.3
359.03830	19.0
359.15005	100.0
360.15366	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	359.15
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
51.12234	0.4
53.84050	0.4
59.01385	2.2
59.20880	0.4
59.61048	0.4
61.98815	1.1
70.70010	0.4
70.89200	1.3
71.01365	0.9
75.00838	0.5
81.03456	0.8
85.02937	1.6
87.88168	0.4
105.01045	0.5
107.04994	0.5
108.02154	2.1
108.08183	1.7
109.02950	32.0
109.08518	1.1
110.03279	1.3
123.04497	1.6
124.01585	0.9
125.02399	0.5
129.01912	0.6
135.04506	2.0
137.02469	0.7
143.04961	0.5
145.02951	0.6
147.03128	0.7
147.04550	0.9
152.07195	1.0
152.36786	0.4
153.07503	1.3
158.03729	1.5
159.04517	13.3
161.06050	1.9
165.05496	0.7
171.04506	1.4
171.19345	0.5
172.05341	0.5
173.06062	8.8
174.06396	0.6
175.03850	0.5
185.05986	1.6
188.04872	1.1
189.05568	10.3
190.06238	1.2
191.07147	5.1
193.04942	0.6
195.04398	0.6
196.06190	0.6
197.06339	1.4
201.05536	0.5
203.07118	4.8
205.08743	0.8
209.06082	0.4
212.04784	1.4
213.05577	2.9
223.04219	0.5
224.04727	1.3
225.05469	2.0
237.05597	1.0
239.07156	0.7
240.04259	6.0
241.05046	22.9
242.05385	2.2
243.07497	0.5
250.06451	0.5
251.06979	0.6
255.06601	14.5
256.06998	2.1
265.08676	1.7
266.05917	0.5
267.06580	4.5
268.07211	1.1
269.08212	5.8
271.09720	0.7
281.07944	2.6
283.09778	1.6
287.16058	0.5
295.09735	1.6
297.11057	0.6
298.08261	2.2
299.09235	16.4
300.09671	2.6
311.09213	0.5
313.10797	19.5
314.11169	2.5
316.99185	0.5
326.11343	0.7
327.12317	1.6
328.09439	1.2
329.10291	10.4
329.14117	0.8
330.10687	0.9
343.11786	5.3
344.12619	47.2
345.12936	4.7
359.14987	100.0
360.15292	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	359.0982
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
55.01866	0.8
58.00589	2.2
58.33552	0.7
58.68605	0.8
59.01380	63.4
60.01688	0.9
66.17155	0.7
69.79829	3.2
71.01384	30.5
72.99302	1.7
81.03424	0.8
83.01387	2.0
85.02950	7.9
89.02445	27.3
95.01392	3.2
96.95982	4.2
101.02440	15.6
111.00876	0.9
113.02442	10.4
118.79909	0.8
119.03501	10.0
121.02946	6.8
123.00900	2.8
125.99609	1.3
136.98820	0.9
137.02428	5.6
138.03194	2.4
139.00371	1.4
139.04002	2.2
143.03438	1.0
151.00409	0.9
153.02007	1.2
153.05585	9.4
155.03479	1.0
165.01927	2.0
166.99858	2.7
179.05692	1.2
180.04274	1.7
181.01384	4.8
182.02199	7.7
183.02881	1.7
195.06595	1.4
196.03830	4.0
197.04546	45.7
198.04866	2.6
211.06094	9.9
224.03238	3.2
239.05600	29.1
240.06009	2.2
269.06717	3.3
299.07779	5.0
344.07401	2.4
359.09851	100.0
360.10257	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	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.03435	1.1
59.01379	7.8
61.59481	0.5
61.98823	1.4
65.00327	0.5
69.03449	0.6
69.37815	1.7
69.38235	2.3
71.01381	7.1
71.05012	1.7
72.99306	7.1
73.02954	5.5
75.00868	15.1
80.96513	0.7
81.03455	3.4
83.01382	0.7
85.02946	5.9
87.00884	1.4
87.04504	1.4
89.00334	2.9
89.02444	1.4
91.01896	1.5
96.96011	0.8
98.20687	0.9
99.00861	2.1
99.04523	7.5
101.02464	0.6
106.00610	3.2
109.02952	2.9
111.00864	1.6
112.98832	0.5
113.02430	0.6
121.02956	52.2
122.03294	2.2
123.00893	1.8
125.02443	0.7
127.00376	0.9
129.02003	0.9
135.04543	3.0
136.98770	0.7
137.02435	0.8
138.03188	1.9
139.00372	1.5
139.04016	0.8
143.03494	5.2
145.02965	1.4
147.03009	1.0
153.05573	36.5
154.02693	0.7
154.05910	2.1
154.99933	0.6
158.37404	0.4
159.04546	0.8
161.04550	20.1
162.04831	0.7
162.14835	0.4
179.05594	9.4
182.02159	2.7
189.05545	1.1
189.72014	0.5
191.01935	1.0
197.04553	100.0
198.04898	6.9
241.05051	1.4
255.06596	0.9
277.99817	0.6
299.09149	1.1
313.10916	1.2
329.10361	0.9
344.12656	2.8
359.09827	14.3
359.14963	6.4
359.20667	2.4
360.10382	1.9
360.14908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0981
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.22800	0.9
57.03443	1.8
59.01379	13.3
59.25729	0.7
68.95004	0.8
71.01379	7.6
72.99329	0.9
85.02947	11.8
86.03296	2.9
87.03361	1.7
89.02457	3.6
95.01378	3.1
96.96018	3.4
99.00854	0.9
101.02441	4.1
113.02454	2.7
121.02921	1.0
123.00883	35.6
123.04530	0.8
124.01263	1.0
133.02951	0.9
137.02473	1.7
137.06071	2.4
138.03230	48.2
139.00349	1.7
139.03645	2.5
153.05573	20.0
165.01889	1.0
166.99849	11.3
179.03523	1.2
179.67024	0.8
181.01436	1.6
182.02208	37.1
183.02620	1.4
193.02452	1.4
195.02794	1.4
197.04547	100.0
198.04868	4.9
211.03429	1.8
211.06062	1.2
212.03802	1.2
213.03944	1.4
239.05563	5.3
252.46524	0.9
287.74756	0.8
299.07877	1.2
325.83905	0.8
359.09897	21.9
360.10101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0769
Annotation	Hyperxanthone B
Peak:m/z	Relative Intensity
50.58725	0.4
57.76543	0.6
59.01384	2.4
61.98861	1.8
63.76852	0.5
71.01404	0.7
78.19554	0.5
85.02974	0.9
87.00929	0.6
97.06613	0.4
109.02982	0.5
110.00127	1.0
110.41656	0.5
121.02989	1.9
123.04592	0.8
125.02480	0.5
132.02266	0.6
137.99617	0.7
139.00485	0.6
139.04079	2.3
141.03540	0.4
147.00943	1.8
149.02432	9.9
149.99591	1.2
153.01959	5.9
158.03783	2.0
161.02495	0.9
164.98274	2.6
165.99123	1.4
170.03767	2.4
172.01637	3.8
174.03255	1.4
175.00372	15.5
175.01799	1.0
176.00713	0.7
177.02013	0.5
177.99042	0.9
180.00635	0.5
180.56993	0.6
181.01527	0.6
185.02490	0.8
185.11877	0.8
186.03224	2.6
189.01982	0.8
197.02469	0.6
198.03259	2.0
201.01947	1.9
202.02711	8.5
203.03073	0.8
204.97893	0.6
211.13530	0.6
213.01968	1.8
214.02713	6.2
215.03087	0.5
216.00638	0.9
217.01538	0.7
226.02716	1.3
229.01456	1.8
230.02180	10.9
241.01453	1.2
242.02202	9.8
244.00157	0.9
245.04362	0.6
253.01343	0.6
254.02113	0.8
255.03130	0.9
257.01004	1.8
257.04486	0.7
258.01660	22.5
259.02054	1.9
268.00317	0.9
269.00766	2.4
270.01682	12.3
271.02264	2.7
273.03976	0.8
283.02548	2.0
285.00409	2.1
285.04086	4.9
286.01184	50.0
287.01599	5.0
287.16492	0.6
295.99646	1.8
296.03082	0.9
297.00397	5.2
298.01022	0.7
299.02203	0.7
300.03040	0.8
300.06384	0.7
301.03534	15.3
302.03778	1.2
312.02747	1.8
312.99844	1.1
314.00674	31.4
315.01053	2.7
315.04776	0.9
327.04810	0.6
329.03012	98.2
330.03372	8.7
343.04428	0.7
344.05347	100.0
345.05698	10.6
359.07700	79.8
360.08038	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	359.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03452	13.1
59.01388	8.1
70.84861	1.0
71.01404	3.3
72.99311	1.5
73.02953	0.7
75.00868	0.9
83.01384	2.8
84.02178	2.5
85.02953	100.0
86.03287	2.3
87.00840	0.7
89.02443	0.8
101.02454	0.9
103.00369	1.7
110.81111	0.5
111.00887	3.9
115.00332	0.9
123.04527	2.1
129.01950	9.0
147.03004	15.2
147.04163	1.1
167.03491	3.3
173.00932	1.7
182.02310	0.6
191.01996	21.6
192.02283	0.6
197.04587	2.0
209.03043	10.7
231.02213	0.6
235.06100	0.9
239.05675	0.8
341.05179	1.2
341.11530	0.6
359.06140	3.4
359.10095	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22790	0.5
55.01867	1.9
57.03199	1.0
57.03449	13.2
59.01377	10.1
68.99796	1.1
70.78642	1.7
71.01376	8.3
72.99306	3.2
73.02941	1.9
75.00874	4.6
76.14104	0.6
83.01378	3.3
84.02166	2.2
85.02949	100.0
86.03284	4.8
86.67165	0.6
87.00881	1.4
87.03380	1.0
89.02440	3.4
91.01926	1.1
96.96015	1.7
99.00911	0.6
101.02439	3.3
103.00346	1.5
111.00875	6.8
113.02438	0.9
115.00366	2.1
119.03489	0.8
121.02958	0.9
123.04530	4.1
129.01947	9.2
133.01427	0.9
133.02954	1.1
135.04491	0.7
138.03198	1.1
145.01346	0.9
147.02988	13.7
148.03323	1.1
151.87723	0.6
153.05550	0.8
154.01479	0.8
163.02565	0.7
167.03519	4.3
173.00900	2.3
179.05611	0.7
179.07092	0.7
181.01468	0.8
182.02176	1.7
191.01968	25.8
192.02409	0.7
196.03635	0.7
197.04553	5.8
204.01535	0.6
209.03029	18.5
239.05663	2.2
247.23291	0.7
299.07666	0.8
341.05286	0.7
359.06058	2.8
359.09988	6.1
360.06091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57346	0.7
54.38366	0.6
54.40902	0.6
57.85376	0.7
59.01380	83.3
60.01717	0.6
61.98832	7.6
63.74330	0.6
65.35738	0.6
69.39010	4.9
72.99313	2.4
73.02944	1.3
90.97128	0.9
91.25392	0.6
97.83685	0.6
114.98861	3.8
117.00488	1.7
118.96616	0.7
123.95927	0.8
132.98233	2.1
156.90771	1.0
156.99904	7.7
157.03610	2.3
159.01485	2.0
174.99257	23.1
175.99591	0.7
181.46025	0.7
198.91905	0.9
201.02563	25.3
202.02783	1.6
203.02274	1.3
203.99994	1.4
215.04082	1.8
217.00293	100.0
217.03761	2.8
217.97884	1.2
218.00473	3.3
232.98570	1.0
259.01556	1.1
273.01648	0.8
274.99600	5.8
275.99670	1.4
299.01028	3.1
300.01376	0.8
317.00607	11.1
318.00635	3.2
347.60587	0.8
359.01602	24.4
360.01794	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	357.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31256	2.8
59.01374	10.6
61.98794	4.7
69.26743	7.5
69.27164	19.3
81.03457	11.2
83.01389	56.2
83.05035	7.4
84.02166	9.3
85.88052	3.2
95.05025	5.1
97.06586	9.9
112.05283	5.0
119.08631	5.8
121.02953	16.0
122.03677	2.8
123.08169	5.1
125.09729	65.0
125.22091	2.6
135.08151	6.9
147.11798	5.5
163.11273	11.1
165.12820	8.8
171.10251	2.8
181.12373	3.8
184.11989	3.0
191.10753	46.3
197.11810	4.2
207.10274	5.4
209.11804	69.4
210.12181	5.4
211.13416	6.4
223.13435	12.1
226.12067	39.9
239.12859	9.9
241.14435	100.0
242.14787	8.3
289.17996	6.1
321.20724	6.6
338.19882	3.2
357.13449	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	357.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.0
59.01367	17.1
61.98822	7.4
63.75832	3.3
69.03462	6.5
70.52744	12.1
81.03447	14.1
83.01386	67.8
83.05013	9.5
84.02168	10.5
85.02942	4.5
88.69063	3.3
97.02976	3.6
97.06583	11.7
101.38480	3.8
111.08181	5.4
119.45328	4.3
121.02959	9.8
121.06572	5.3
125.09724	74.3
126.10021	5.3
127.07672	4.5
128.51027	3.8
135.08209	8.6
139.11304	4.2
142.31921	4.5
147.11752	4.0
163.11270	13.8
165.12782	9.4
181.12245	7.5
184.33815	4.2
185.11789	7.2
191.10786	54.4
197.11823	8.6
199.13390	7.2
201.12910	5.0
207.10179	7.8
209.09921	5.8
209.11810	83.8
210.12062	5.5
223.13353	17.6
226.12108	45.1
227.12535	4.8
228.76161	4.0
237.11156	4.6
239.12923	11.0
241.14455	100.0
242.14633	10.9
289.17957	4.6
316.31503	4.0
357.06473	5.0
357.13483	21.8
357.20667	6.9
357.26422	17.3
366.08185	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	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.5
61.98832	100.0
71.51464	5.5
74.31830	3.8
75.11318	4.0
83.01391	15.2
85.02953	6.0
92.97408	3.5
121.02942	9.7
272.85410	4.3
357.13370	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	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01390	0.4
62.33984	0.2
70.34010	0.5
71.10593	0.2
77.03989	0.4
83.01357	0.4
93.03457	0.5
99.42154	0.2
121.02956	100.0
122.03288	4.2
124.61334	0.3
136.07690	0.4
165.01952	1.0
180.05792	1.8
181.06590	6.9
181.67514	0.3
182.06995	0.5
225.03459	0.5
225.05583	5.8
226.06096	0.5
243.36789	0.3
269.08102	0.6
283.09778	0.3
295.06201	0.8
313.07172	8.9
314.07471	0.5
325.11121	0.3
327.08713	0.8
342.11093	0.9
357.06143	39.2
357.13422	2.5
358.06430	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
57.03437	1.1
59.01355	2.4
61.98823	2.4
69.03456	3.3
70.71012	1.8
71.01369	1.2
72.99239	0.5
77.84164	0.5
78.95892	1.2
83.05035	1.6
85.02944	7.5
95.05006	0.7
97.06590	19.6
98.06925	0.9
111.08109	0.7
137.09651	1.0
139.72110	0.7
147.03069	1.1
149.00113	3.0
149.13361	0.9
165.12813	1.5
171.10265	1.6
175.11275	1.2
183.01222	1.5
184.22101	0.7
191.01912	2.2
193.12332	19.1
194.12680	1.4
197.15372	0.7
201.67441	0.7
203.10619	0.6
205.15968	2.0
209.02951	3.2
211.13403	0.8
221.11830	1.9
222.12137	0.6
225.14946	30.4
226.15285	1.5
233.15413	0.8
253.14413	2.9
257.17615	2.6
301.52899	0.8
305.21100	1.2
312.06516	0.7
323.22296	2.3
337.23795	0.7
355.16403	3.6
355.24872	100.0
356.25201	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	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04587	0.3
59.01374	0.7
61.98829	100.0
69.83816	1.9
80.13068	0.3
98.26442	0.4
199.11380	0.4
221.15518	0.6
255.98897	0.4
351.08307	0.4
357.13367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
57.03450	1.4
58.14772	1.1
59.01384	10.0
61.98824	2.4
69.03441	4.8
70.74371	2.6
71.01372	1.7
80.02682	1.4
83.05018	3.7
84.87596	1.1
85.02953	12.4
90.35284	1.1
97.05978	2.4
97.06587	35.9
107.49571	1.2
129.01878	1.4
137.09738	3.0
149.13315	1.1
150.22084	1.2
151.11240	1.8
165.12846	1.9
171.10229	1.6
175.11284	2.2
191.01938	2.9
193.12328	38.4
194.12662	2.7
197.15483	1.6
209.03024	6.5
225.14948	86.9
226.15321	6.0
253.14398	2.0
257.17563	36.7
258.17856	3.3
305.20987	1.1
323.22226	1.6
351.31525	1.4
355.15527	3.0
355.24869	100.0
356.25244	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	355.249
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
52.76473	0.5
57.03436	1.3
59.01371	2.6
61.98819	1.1
68.84517	0.6
69.03445	2.4
71.01386	1.0
72.94777	0.6
83.05021	1.1
85.02950	6.5
97.06590	17.4
114.43254	0.6
117.50689	0.6
119.04976	0.9
136.77191	0.6
137.09703	1.1
141.34286	0.6
147.02966	0.8
148.56026	0.6
150.48755	0.7
151.11298	0.7
163.11215	0.7
165.12946	1.3
175.11253	1.4
183.01195	1.7
191.01990	1.6
193.12328	17.3
194.12700	1.5
197.15450	1.4
209.03033	2.6
211.13568	0.7
221.11813	2.3
225.14943	26.9
226.15257	2.6
241.96307	0.7
253.14305	2.9
257.17636	2.4
261.59845	0.8
305.21231	2.7
323.22318	1.5
355.20010	4.0
355.24872	100.0
356.25198	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
60.67014	1.4
61.90294	1.5
61.98827	5.6
71.50877	2.6
71.51285	2.1
81.36417	1.7
85.02937	4.1
109.02971	1.8
117.62547	1.6
122.03739	9.2
135.04518	24.8
136.01607	2.2
147.08165	4.2
149.09743	8.3
154.02756	2.0
161.09741	10.0
163.07639	3.4
163.11279	55.6
164.08446	18.7
164.11560	3.3
165.09160	9.1
177.09213	73.9
177.87721	1.8
178.09988	21.6
179.10771	69.5
180.11151	4.8
187.11229	2.2
191.10832	12.1
193.08679	8.5
209.03058	3.5
270.41318	1.7
280.14603	4.1
298.15729	45.3
299.16068	5.7
309.22128	2.1
321.18658	2.2
322.19452	2.3
337.17719	2.3
337.21744	47.4
338.22031	8.7
340.20401	93.3
341.20694	13.2
355.22781	100.0
356.23080	12.4
357.04288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	19.3
59.01376	22.2
61.98822	13.5
63.70372	6.4
71.01376	15.2
71.51985	12.3
73.64533	7.6
74.94550	6.0
77.64326	6.2
83.56239	7.0
84.02177	9.7
85.02946	97.9
91.07246	6.0
92.48972	6.5
93.41593	6.2
97.02950	10.7
106.05273	7.2
107.05006	24.9
118.19473	6.4
123.04504	7.5
123.08150	17.1
125.06046	13.3
125.09739	24.5
129.01942	10.2
135.08170	19.2
137.06168	9.7
147.03046	10.8
153.09235	9.8
162.18552	6.3
163.11249	9.6
171.10210	7.6
185.11835	20.9
191.01949	25.4
191.10765	9.7
195.13821	6.3
199.09753	11.5
209.02986	42.3
217.12393	6.9
239.12874	10.5
243.17462	16.5
253.14375	10.1
287.16608	9.6
305.17490	14.4
319.19095	18.3
355.15628	11.6
355.21292	11.3
355.25003	100.0
356.25397	14.6
378.47165	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	355.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46555	0.9
55.62246	1.0
57.03437	3.6
59.01367	4.0
70.52191	2.9
80.02658	1.1
81.03444	2.3
83.05016	1.5
85.02950	8.4
95.05060	1.9
97.02949	3.8
97.06619	1.2
98.03737	1.4
106.64450	1.0
121.06601	2.0
123.04498	4.6
123.08149	2.8
125.09760	5.9
135.08119	1.2
137.09692	3.5
141.12823	1.2
142.02719	1.6
145.09821	1.5
151.07664	2.9
163.11276	6.6
169.08727	1.5
171.10231	1.0
177.12825	1.7
179.10777	1.5
181.12363	2.0
183.01149	3.2
185.11833	6.8
186.12102	0.9
191.01961	2.5
191.14435	11.2
207.10234	4.9
209.02975	4.6
217.15944	1.6
225.11313	3.9
245.19086	25.3
246.19360	2.8
247.17029	1.2
271.16992	2.3
289.18091	100.0
290.18469	10.2
307.19147	63.9
308.19476	7.2
309.20639	1.1
321.84442	1.3
355.19489	18.1
355.24191	1.4
355.29510	3.7
356.19870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.57372	0.3
57.03448	2.1
59.01378	2.3
69.92966	0.6
69.93360	0.7
71.01385	1.7
73.02916	0.4
83.01404	0.4
84.60820	0.3
85.02950	20.6
86.03298	1.1
87.00885	0.5
89.02421	0.3
98.20654	0.4
98.75912	0.3
103.00393	0.6
111.00892	0.7
115.00386	0.5
117.03558	0.6
119.05019	0.8
129.01923	2.4
132.02161	0.9
133.01421	0.5
133.02966	7.6
134.13194	0.3
135.04530	1.6
136.04907	0.3
145.02959	1.2
147.03009	2.3
151.03989	0.7
160.01642	0.8
161.02443	100.0
162.02766	5.8
163.03993	3.6
173.00946	0.6
179.03468	0.3
179.31610	0.4
184.71336	0.3
191.01984	5.9
192.02261	0.3
193.05046	38.7
194.05359	2.2
203.03746	0.3
205.01395	0.4
209.01033	0.5
209.03020	8.3
210.03442	0.4
210.61505	0.3
235.58990	0.4
273.67764	0.3
333.96408	0.3
355.10440	2.9
355.14188	0.5
356.10535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03447	2.5
59.01375	2.3
61.98839	0.4
63.74501	0.3
64.25303	0.3
68.99795	0.3
69.71221	1.6
70.31170	0.3
71.01382	1.5
72.99311	0.5
75.00872	0.6
83.01375	0.6
84.02145	0.5
85.02948	20.0
86.03283	1.1
101.02415	0.4
101.22832	0.3
104.27374	0.3
104.80602	0.3
105.03468	0.4
111.00861	0.8
112.73183	0.3
116.70372	0.3
117.03470	0.7
119.05025	1.0
129.01936	1.9
132.02185	1.0
133.01454	0.6
133.02963	7.8
135.04530	2.1
145.02933	1.2
147.03041	2.2
151.04065	0.4
160.01627	0.9
161.02437	100.0
162.02808	4.7
163.04030	3.9
173.00893	0.5
175.01186	0.3
177.01949	0.4
178.02631	0.4
178.79897	0.4
179.03448	0.3
191.01965	5.3
192.02359	0.4
193.05043	37.0
194.05345	1.9
209.03014	8.0
210.03325	0.3
241.45842	0.3
244.87241	0.3
251.05576	0.4
263.11859	0.3
264.07422	0.3
355.06583	0.5
355.10330	2.5
355.14014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
55.01870	0.8
56.98015	1.1
57.03451	3.0
58.99593	1.2
59.01376	1.7
59.02223	0.4
59.21614	0.5
61.28013	0.4
69.25227	4.0
71.01375	1.6
72.99314	0.9
74.99085	0.9
79.95673	0.4
83.01390	1.1
84.02170	0.5
85.02950	22.5
85.48659	0.5
86.03305	0.5
89.25320	0.6
98.20423	2.0
111.00868	1.6
118.98096	0.9
119.05033	0.7
120.99648	0.5
121.02939	2.0
129.01926	1.6
132.02179	1.1
133.02951	1.6
134.03745	58.5
135.04010	2.8
136.99146	1.1
137.02441	7.6
139.04019	2.3
147.03021	2.2
149.02441	0.5
149.06085	17.8
150.03221	0.7
150.06439	1.0
160.01662	3.8
161.02248	0.4
163.04034	0.8
175.03976	5.8
178.02704	30.7
179.03058	2.0
191.01965	6.0
192.00661	1.1
193.01508	2.5
193.05049	100.0
194.05377	6.3
207.43666	0.5
209.01376	0.6
209.03036	9.1
217.04924	0.6
333.64996	0.5
355.06488	0.8
355.10440	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57629	0.7
55.01870	2.2
57.03451	14.1
59.01376	8.9
68.99817	0.8
69.41415	3.5
69.41828	2.7
71.01379	6.8
71.07262	0.8
72.99311	1.5
73.02941	0.8
75.00854	2.3
78.44103	0.7
83.01381	2.4
84.02168	1.9
85.02951	100.0
86.03281	2.3
87.00898	1.1
89.02438	2.7
101.02489	1.2
103.00372	1.4
109.93548	0.9
111.00858	2.0
119.05037	4.1
129.01944	7.0
133.01421	2.0
142.34209	0.7
142.38432	0.9
147.03011	7.6
163.04063	1.7
173.00958	1.1
185.35042	0.7
191.01976	27.6
192.02402	0.9
209.03027	39.7
210.03372	1.7
216.78120	0.9
355.06693	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	355.1034
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
55.01873	0.9
56.98018	2.4
57.03448	5.1
58.99617	2.3
58.99871	0.5
59.01375	3.8
61.98850	0.4
71.01374	2.8
71.51064	0.7
72.99309	1.2
74.99072	2.3
75.17557	0.4
75.86553	0.5
83.01394	1.4
83.27399	0.5
84.02165	1.0
85.02946	31.3
86.03278	1.5
87.00886	0.8
87.18951	0.5
89.02471	0.5
96.60063	0.4
109.02928	0.6
111.00903	1.7
118.98087	1.9
119.05042	1.3
121.02979	1.7
129.01950	2.7
132.02168	0.6
133.01433	1.0
133.02963	1.7
134.03734	66.0
135.04042	2.6
136.99141	2.9
137.02444	8.1
139.04008	1.6
145.02992	0.6
147.03017	3.2
149.02420	0.7
149.06078	15.8
150.03224	0.9
150.06410	0.6
150.89496	0.5
158.36421	0.5
160.01646	4.0
163.04002	1.4
173.00826	0.6
175.04018	6.0
178.02698	32.8
179.03096	2.0
191.00252	0.8
191.01978	8.5
192.00624	1.0
192.05896	0.6
193.05037	100.0
194.05357	6.0
209.01231	1.9
209.03009	14.8
217.04970	0.6
235.06093	0.6
355.06393	0.7
355.10211	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	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03451	9.3
57.12988	0.9
59.01385	4.8
70.83279	1.1
70.83627	1.7
71.01374	4.8
72.99313	1.1
78.97864	0.9
83.01389	1.4
83.38334	0.8
84.02158	2.4
85.02950	71.8
86.03301	2.0
89.02466	1.2
103.00383	1.8
111.00861	3.4
119.05022	1.5
129.01938	6.1
133.01437	2.7
147.03017	10.1
156.38217	0.9
163.03958	1.3
173.00977	2.0
191.01971	41.5
192.02361	1.6
208.52921	0.9
209.03015	100.0
210.03323	4.0
257.11053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
57.03452	13.9
57.29923	0.5
59.01380	8.2
60.75496	0.5
71.01385	4.1
72.99305	1.7
73.22282	0.5
75.00867	1.5
83.01376	2.0
84.02155	2.5
85.02952	100.0
86.03281	2.2
87.00883	0.8
87.11015	0.5
87.29323	0.5
89.02448	1.1
103.00364	1.1
111.00893	1.1
115.00386	0.9
119.05014	4.0
129.01947	7.0
133.01430	1.1
147.02991	8.6
148.03322	0.6
156.27812	0.5
163.02820	0.5
163.04016	3.6
173.00894	0.7
177.64749	0.5
191.01979	25.0
192.02390	1.2
209.03020	25.9
210.03387	1.2
355.06726	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27646	0.9
50.65148	0.8
54.16546	0.8
55.01894	2.2
57.03450	13.8
58.54350	0.8
59.01376	9.2
60.83686	0.9
69.51589	3.9
69.51993	1.8
71.01385	8.7
72.99310	2.3
75.00864	2.7
77.70060	0.8
83.01392	2.6
84.02142	2.4
85.02949	100.0
86.03279	2.6
87.00884	1.7
87.51462	1.0
89.02457	2.6
90.89428	0.8
91.34422	0.9
93.37151	0.9
98.19943	1.6
103.00359	1.6
106.67373	0.9
111.00871	3.8
111.49832	1.0
119.05025	2.0
129.01935	7.6
133.01448	4.3
147.02997	8.7
163.03876	0.9
173.00935	2.0
191.01979	34.4
192.02315	1.7
204.41547	0.9
209.03014	91.7
210.03404	2.5
217.00067	1.0
230.26254	0.9
253.16940	0.9
267.66370	0.9
355.06979	1.1
360.52371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.03448	12.7
59.01374	6.4
70.06183	2.3
70.06577	1.7
71.01367	4.6
75.00871	1.4
83.01389	1.7
84.02190	1.8
85.02953	100.0
86.03278	1.2
101.02422	1.3
103.00372	1.1
111.00900	2.0
115.00278	1.0
119.05019	2.4
129.01939	9.5
131.43979	1.0
133.01410	1.4
134.54196	1.0
147.02992	14.1
163.03995	2.5
173.00882	2.7
191.01984	40.0
192.02277	1.4
209.03023	64.6
210.03333	1.7
355.06638	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	355.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01382	4.5
61.98817	1.5
68.99812	1.8
71.01388	0.8
71.52003	1.1
72.97527	23.7
72.99305	0.8
73.01183	4.1
74.99098	2.0
76.13140	1.0
83.01412	1.2
85.02949	18.9
86.03271	1.1
87.00891	1.4
90.98595	1.1
103.49589	0.9
105.00159	83.7
105.03767	1.2
106.00511	1.0
117.00156	8.7
129.01924	1.7
130.08733	1.1
133.02959	25.4
135.04485	2.5
140.43996	0.8
147.02963	2.0
160.99152	27.3
161.02437	100.0
162.02776	5.7
191.01965	6.2
193.01747	48.1
193.05235	1.1
194.02032	1.9
209.02985	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	353.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
56.31770	1.0
57.03448	18.2
59.01383	4.3
68.61480	0.8
69.77763	2.4
69.78175	2.4
71.01388	1.8
83.01379	2.7
84.02176	2.0
85.02948	100.0
86.03284	2.2
109.02946	3.1
111.00831	1.1
129.01941	53.5
130.02350	1.0
133.02965	8.9
134.03690	1.0
135.04533	24.1
147.02997	49.4
148.03291	2.0
160.84438	0.9
161.02444	28.2
162.02806	1.5
173.00908	45.0
173.02411	2.1
174.01215	2.0
179.03514	16.3
191.01889	1.2
197.74649	0.9
214.74548	1.1
219.06647	1.3
239.16978	1.0
247.06097	2.5
335.03937	2.5
353.05215	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.39372	0.2
62.96529	0.2
63.85054	0.2
67.26764	0.2
71.28355	0.4
73.19041	0.2
78.33567	0.2
96.96007	2.7
99.56846	0.2
104.93950	0.2
109.92093	0.3
147.08144	0.4
161.06107	0.3
163.11284	88.2
164.11607	5.6
165.43535	0.3
177.09201	69.2
178.09557	4.8
194.05917	0.3
211.17171	0.2
222.08931	0.7
353.21188	100.0
354.21530	14.2
355.03955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51408	0.5
55.01883	1.8
57.03449	10.6
59.01378	6.0
66.49791	0.6
69.65968	3.5
70.32564	0.6
71.36930	0.6
80.52048	0.6
83.01366	1.1
84.02177	2.0
85.02950	95.8
86.03287	1.5
103.00334	0.9
126.30780	0.7
129.01941	2.3
135.04564	0.9
147.03041	4.1
161.02528	0.8
162.57150	0.7
173.00804	0.7
173.23882	0.6
179.03502	1.7
191.01965	100.0
192.02353	4.5
311.28104	0.6
340.56052	0.6
351.03622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0514
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
55.01865	2.9
55.14658	1.0
57.03451	18.4
58.03780	1.2
59.01370	3.9
69.80133	5.3
71.01381	1.2
74.14838	1.0
83.01385	3.8
84.02166	3.3
85.02950	100.0
86.03307	1.9
94.96311	1.0
98.19991	1.6
103.89401	0.9
109.02921	1.4
111.00854	1.2
129.01939	49.6
133.02954	11.9
134.03740	1.9
135.04536	26.6
147.02992	46.2
148.03369	1.6
161.01132	1.9
161.02432	29.5
162.02855	1.6
171.49461	1.1
173.00908	45.1
174.01172	1.6
179.03488	13.5
183.80362	1.1
191.01877	1.1
201.05484	0.9
218.38506	1.1
219.06534	2.3
247.06030	2.3
292.47086	0.9
335.03824	2.1
353.05215	6.5
367.01538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.87894	1.1
57.03443	15.8
59.01373	2.8
71.05746	1.7
73.07834	1.2
82.01265	0.9
83.01361	4.7
83.46835	0.9
84.02182	2.1
85.02949	100.0
86.03260	2.2
97.04054	1.1
109.02927	3.3
111.00913	1.6
118.77822	0.9
129.01938	66.1
130.02271	3.1
133.02965	11.9
134.03708	2.7
135.04520	47.1
136.04872	1.4
147.02989	52.6
148.03302	2.1
161.02437	40.5
162.02774	2.9
173.00897	59.0
174.01221	1.6
179.03487	26.7
180.03844	1.7
201.05627	1.3
219.06532	2.6
229.04980	1.2
247.06053	2.8
273.04050	1.3
293.14972	1.1
335.04065	3.8
353.05154	7.7
375.46567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0512
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
55.01870	2.7
57.03447	16.7
58.22203	1.1
59.01367	2.0
70.84347	3.4
83.01387	2.7
84.02175	2.1
85.02949	100.0
86.03268	2.9
109.02940	2.4
111.00889	1.9
129.01939	79.2
130.02246	3.4
133.02963	9.8
134.03712	3.2
135.04521	40.0
136.04811	2.6
137.00557	1.1
147.02991	79.2
148.03308	2.9
154.99883	2.0
159.04388	1.5
161.01132	2.5
161.02437	45.7
162.02783	3.7
173.00903	95.0
174.01253	3.7
179.03499	31.1
180.03758	2.8
191.02007	1.3
201.05490	2.2
219.06590	3.0
229.04745	1.2
247.06105	3.2
335.04062	7.2
353.05157	14.5
354.05405	2.6
364.80478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42206	0.5
55.01869	1.0
57.03452	9.5
59.01378	3.9
61.98311	0.6
71.01373	1.2
72.99286	0.9
82.35953	0.7
83.01390	1.8
84.02147	1.5
85.02950	100.0
86.03292	2.8
99.00862	1.0
101.62711	0.5
103.00395	1.0
104.72322	0.5
104.85567	0.6
111.00883	5.6
111.02057	0.6
112.23620	0.5
119.07613	0.7
129.01947	2.3
133.02946	1.9
135.04553	2.1
147.02995	9.5
147.39447	0.6
161.02420	7.4
163.03845	0.6
173.00938	2.1
179.03493	1.9
191.01973	95.7
192.00743	0.6
192.02238	3.2
195.20830	0.6
219.40739	0.6
262.33020	0.5
300.17096	0.6
309.06158	1.4
346.50458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
57.03447	12.5
59.01381	6.9
69.61478	3.9
70.58637	0.6
71.01378	1.8
72.99283	0.8
83.01368	1.0
84.02162	2.6
85.02950	100.0
86.03268	2.0
89.77010	0.7
109.02914	1.3
111.00862	1.7
129.01953	5.7
133.02948	5.8
134.03748	1.3
135.04520	19.2
147.02994	19.1
161.02438	23.3
162.02837	1.3
173.00917	4.2
179.03494	10.1
191.01968	81.2
192.02289	2.2
218.11073	0.7
247.06197	2.0
353.05115	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	353.0515
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
55.01879	1.8
55.93949	0.9
57.03452	11.7
59.01384	4.2
62.75564	0.9
71.01385	1.8
71.20492	1.7
83.01343	1.0
84.02180	2.4
85.02953	100.0
86.03300	3.0
93.90060	0.8
98.20179	1.7
103.00335	1.1
104.34402	1.0
107.05305	1.1
122.15266	0.9
133.02950	6.7
135.04532	3.1
147.03009	18.4
147.09808	0.9
161.02451	22.1
162.02766	1.6
173.00777	1.1
179.03513	2.7
191.01978	79.2
192.02281	3.5
240.17961	0.9
292.90817	0.9
309.06064	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59109	1.0
52.37290	1.0
55.01865	1.7
56.64911	1.0
57.03447	100.0
58.03775	1.6
59.01377	81.4
61.98800	1.1
71.01378	12.8
71.27390	1.5
73.02950	6.5
78.62376	1.1
80.33026	1.0
81.03473	1.6
83.01375	4.0
85.02950	9.8
89.02456	1.7
99.00842	1.4
99.04517	71.9
100.04844	2.4
101.02443	31.2
113.02442	4.6
125.02445	18.3
133.02927	2.1
143.03488	1.8
161.04546	5.0
207.08730	43.1
208.09039	2.2
249.09724	3.7
289.13080	1.9
304.75259	1.2
351.12927	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	351.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.0
57.03442	3.4
58.18560	0.5
59.01373	1.7
68.99809	0.6
69.62040	2.4
71.01375	1.6
77.21600	0.5
77.96545	0.5
78.98940	0.5
83.01386	14.0
85.02943	3.0
88.32729	0.5
93.03426	0.6
94.57593	0.4
99.00880	10.4
111.00872	4.3
115.04105	0.5
117.03462	28.7
118.03802	1.1
119.05032	8.2
127.00346	0.7
129.01942	20.4
130.02309	0.6
143.03500	16.6
144.03854	0.6
145.02951	100.0
146.03296	6.2
147.04529	0.5
151.37201	0.5
154.99831	0.9
161.02466	0.8
163.04036	5.3
173.00906	18.3
173.06038	0.7
174.01262	1.0
179.83253	0.5
189.07635	1.2
201.05560	0.8
203.03519	1.4
205.03554	2.2
227.68161	0.5
227.70505	0.5
228.26965	0.4
230.83900	0.5
257.04578	2.3
319.04468	2.3
345.02841	0.5
349.31668	0.5
351.07190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99807	0.8
51.83129	0.8
55.01875	2.7
57.03449	3.7
59.01382	2.8
62.48997	0.8
68.99802	1.1
71.01375	1.9
71.06522	1.6
71.06871	1.0
71.84843	0.9
72.99306	0.8
73.02943	1.0
74.99090	1.0
83.01393	12.0
83.58633	0.8
85.02963	2.2
86.21659	1.0
86.32539	0.9
87.87640	0.8
93.03439	1.4
99.00880	7.3
103.58278	0.9
111.00875	11.9
115.00275	0.8
115.03992	1.1
117.03465	32.8
118.03761	1.3
119.05023	64.3
120.05343	1.8
121.02962	1.1
125.02437	0.9
125.34772	1.0
125.99468	0.8
129.01945	23.5
129.03416	1.1
130.02315	0.9
131.05006	1.0
133.02901	0.9
143.03497	8.1
145.02950	100.0
146.03285	5.7
147.04564	5.9
162.38965	0.8
163.04001	35.8
164.04324	2.1
169.01512	1.1
173.00908	18.1
173.06065	11.2
175.03963	4.6
199.87354	0.9
201.05563	9.2
203.03456	12.4
203.07167	1.1
205.03647	1.9
217.05035	1.1
245.04543	1.4
257.04532	1.2
319.04596	7.4
320.05051	1.0
321.22156	1.0
351.07144	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	349.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.6
59.01381	100.0
61.98827	3.9
70.32316	2.9
70.32687	3.2
98.19939	1.5
116.92855	13.6
193.08453	2.2
233.11598	4.3
271.16962	6.4
335.34973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03446	11.4
59.01381	7.2
67.01882	0.8
67.38508	0.7
71.01386	4.6
83.01391	2.5
84.02164	3.3
85.02950	100.0
86.03297	2.3
89.02445	2.2
93.03461	1.3
98.20660	2.0
99.00903	1.0
101.01882	0.6
101.02411	4.2
110.89645	0.7
111.00902	2.6
113.02445	2.2
117.03461	9.8
119.03619	1.1
119.05017	10.3
120.05427	0.9
125.02460	1.4
129.01929	2.0
133.02966	2.3
145.02957	51.7
146.03267	2.8
147.04550	1.0
159.08112	1.0
161.02396	1.5
161.04536	4.2
163.03961	4.1
173.00902	0.9
187.07628	2.5
190.05110	1.5
201.05605	1.0
203.07140	1.7
205.03532	21.0
206.03790	1.2
231.06622	8.8
333.71454	0.8
351.20355	2.8
367.78329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0597
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
57.03420	0.5
58.84718	0.3
58.97018	0.3
59.01381	1.7
68.73994	0.4
71.01385	2.0
73.02939	1.1
78.05640	0.3
79.95735	4.0
80.96526	1.7
83.01369	0.5
85.02937	1.3
89.02441	0.6
94.98104	0.4
96.96011	96.6
98.19853	0.9
101.02435	2.1
113.02455	0.6
122.06129	0.7
122.97586	0.8
134.03606	0.5
138.97069	1.0
143.03517	0.5
150.97052	1.0
152.98639	1.2
180.98117	3.5
241.00250	5.4
279.20795	0.4
349.05969	100.0
350.06293	8.2
366.18732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86766	0.4
59.01380	100.0
60.01707	1.3
61.98836	1.1
62.85941	0.4
70.84932	0.8
71.01379	4.7
71.01745	0.5
73.02953	1.1
85.02971	1.6
86.92848	0.5
93.61507	0.4
96.96053	0.6
98.19965	0.6
99.00933	0.7
101.02467	1.7
113.02464	1.0
125.06062	0.5
161.04607	1.5
200.21045	0.4
289.16446	2.4
349.16690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30294	2.7
59.01373	12.6
61.98829	28.0
67.98537	3.5
71.01388	6.2
71.50253	3.2
85.02958	10.7
96.95989	3.3
108.02165	53.4
109.02954	9.3
121.26344	3.4
146.72978	2.9
147.03036	3.0
152.01143	47.9
153.01956	27.6
165.25432	2.9
174.16716	3.0
285.06146	100.0
286.06421	7.3
291.68918	3.1
357.16364	3.0
366.43494	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	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98827	100.0
62.98531	0.3
62.99269	0.1
63.99259	0.3
70.34063	0.1
71.49541	0.1
85.32874	0.1
94.01591	0.1
113.00051	0.1
127.22313	0.1
147.96059	0.2
162.98463	1.9
163.98546	0.2
164.96353	0.4
203.99986	0.5
205.00154	0.7
205.99698	0.9
206.97437	73.5
207.97531	5.7
208.00443	0.1
222.95387	0.1
306.51242	0.1
348.98495	0.5
349.98605	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77891	0.7
59.01363	2.0
61.98830	1.7
63.02389	2.0
65.00323	12.3
65.27125	0.7
70.87908	0.7
71.52371	1.1
72.71327	0.7
78.95882	0.6
83.01393	5.4
91.89890	0.6
107.01396	16.7
115.04830	0.7
117.82905	0.6
138.23589	0.7
151.00369	100.0
152.00717	4.1
178.99864	12.8
183.02980	3.5
189.45943	0.7
211.02477	50.4
212.02783	2.6
225.37796	0.7
347.14822	0.9
347.18704	1.3
358.40530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45613	14.5
59.01365	35.4
67.41236	14.4
69.40636	11.0
71.49892	11.6
73.15297	11.5
98.20691	23.4
100.78803	11.7
144.79860	11.2
153.44218	12.7
170.29434	12.3
180.59795	12.7
186.79547	13.8
300.86212	12.5
311.22211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.9421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03324	1.2
56.30862	1.3
57.03449	1.4
59.01393	3.3
61.91789	1.2
62.13136	1.4
70.17093	2.9
70.17487	2.8
71.01378	3.8
72.99308	1.8
73.02946	1.4
78.95909	5.7
83.01414	2.2
84.02158	1.3
85.02951	2.7
87.92538	29.3
88.98799	2.8
96.96030	3.8
96.96955	10.0
99.00919	1.5
101.02410	2.0
101.94086	1.4
103.92031	62.3
104.92807	22.1
105.93577	6.7
111.00845	2.0
112.98829	1.3
118.94364	15.3
123.94658	11.4
127.95652	2.2
128.96790	2.7
130.94376	5.1
143.03574	1.5
145.96704	9.2
147.94606	1.9
155.95134	2.7
158.93861	2.7
159.89380	5.3
159.94635	1.6
160.89328	2.4
163.97748	1.6
173.96198	23.0
187.97765	9.4
189.95714	4.4
193.32661	1.7
199.94150	14.7
201.92073	3.1
203.97298	1.7
217.95158	24.9
231.96742	100.0
232.97095	5.2
243.93127	5.6
282.92111	1.4
313.11740	1.6
349.08575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60582	3.6
59.01371	5.6
60.36945	3.8
61.98822	3.8
69.34118	3.0
69.93105	15.6
103.75641	3.2
111.08177	5.7
180.79027	3.6
182.02338	4.1
183.02960	4.0
197.11844	30.8
205.50160	3.7
211.13467	8.2
257.45181	3.1
291.19666	7.6
307.19110	3.9
309.17212	6.3
309.20718	100.0
310.21011	9.0
345.36084	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89526	2.8
70.81549	5.4
72.70829	2.6
141.43863	2.7
228.59978	3.0
264.55188	2.9
291.19702	19.1
297.56311	2.9
309.20706	100.0
310.21048	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21511	8.2
59.01349	10.4
61.98843	11.8
62.00708	7.8
62.25129	7.1
63.60509	8.4
71.08300	15.8
82.86150	7.4
87.07035	6.8
128.57141	8.4
134.89493	8.6
159.21303	9.3
165.12831	14.4
247.20557	12.8
291.19702	100.0
292.19864	9.9
307.19016	21.8
309.20618	94.4
310.20981	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.0
59.09058	0.4
60.01711	1.5
61.98830	100.0
66.86943	0.5
67.34084	0.4
70.05825	1.8
75.24542	0.4
81.81904	0.4
88.24052	0.4
91.64137	0.5
98.19983	0.7
98.20542	0.8
130.89178	0.4
159.03328	0.6
201.02583	2.1
202.02734	7.4
203.02264	9.2
203.99988	52.9
204.02798	1.8
205.00121	3.9
346.01254	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	345.1561
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.56982	0.8
55.01857	2.3
57.03448	4.5
58.00587	1.8
59.01377	41.2
61.98838	1.7
69.28584	5.8
69.29003	3.0
71.01381	44.4
72.01728	0.9
72.99304	3.5
73.02942	13.4
74.69270	0.8
79.95734	1.2
83.01379	9.4
85.02949	36.0
87.00867	2.5
89.02446	16.7
94.65150	0.9
95.01402	4.6
96.96000	1.9
98.20628	1.6
99.00879	5.2
101.02445	36.2
102.02776	1.0
111.00911	2.1
113.02450	18.6
119.03492	7.8
121.10223	5.5
129.01935	2.3
137.02512	0.9
141.31717	1.0
143.03455	1.5
147.02954	2.3
159.02991	0.9
161.04541	7.5
165.09169	1.5
183.10309	1.1
191.01947	2.2
231.16559	1.0
263.07205	2.1
301.16595	2.3
307.06046	2.7
308.06519	1.4
345.15503	100.0
346.15833	8.1
346.22717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67048	0.6
59.01370	0.9
62.33895	0.5
69.71439	0.5
71.01373	2.3
74.02454	0.5
75.00873	1.3
78.01080	0.6
85.02932	3.2
87.00862	1.0
88.82613	0.5
89.00328	2.7
91.01893	1.4
94.36866	0.5
99.00896	1.6
101.02469	0.7
106.00562	3.4
111.00888	1.0
112.98735	0.6
121.02958	50.6
122.03288	2.3
123.00823	2.8
127.00375	1.4
133.94888	0.5
136.98788	0.6
138.03235	2.5
139.00403	1.5
147.02969	4.7
153.05576	35.1
154.05928	1.4
165.04015	2.1
166.99883	2.2
182.02190	5.7
197.04546	100.0
198.04884	6.2
237.29662	0.6
300.74396	0.5
315.05029	0.6
345.08246	4.3
345.11780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99182	0.9
57.03440	2.9
57.49871	0.8
58.00592	2.1
59.01381	56.6
61.98819	2.9
68.59146	0.8
69.31714	5.4
69.32130	1.8
71.01382	28.0
72.99300	3.9
73.02946	2.6
79.95743	1.6
80.96511	1.0
83.01389	2.7
85.02462	1.3
85.02950	18.7
87.00877	100.0
88.01198	1.2
89.02444	27.7
94.98151	0.9
95.01376	2.6
95.05021	4.7
96.96004	4.0
98.95650	1.0
99.00908	1.1
101.02451	13.1
102.58795	0.9
111.00842	1.6
113.02460	11.0
119.03506	10.0
121.02953	15.0
129.01955	3.0
147.02925	2.1
147.04460	1.2
153.05568	1.1
161.04466	1.1
165.01947	13.5
165.05579	1.8
172.04465	0.9
179.05615	3.1
191.01978	2.2
197.04518	1.3
209.03088	1.2
226.12212	1.4
241.04279	0.9
269.12823	2.1
277.46371	1.0
289.45468	1.0
293.57422	0.9
307.06024	1.2
308.16379	0.9
345.07697	1.4
345.12134	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	344.8901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.9
60.01592	1.4
60.99310	9.5
61.98820	3.2
69.24064	13.6
71.01367	1.9
72.99318	3.7
78.95906	15.5
85.02949	2.2
85.69370	1.3
87.00917	1.6
87.92538	1.3
88.98805	100.0
89.02435	1.7
92.88981	1.3
92.92817	4.5
94.92518	4.9
96.96013	35.8
96.96666	2.0
96.96968	3.8
98.20316	6.5
110.97000	3.4
115.00387	1.5
115.93879	1.5
118.93426	2.0
118.94205	21.6
118.95021	2.5
126.94393	66.9
127.94768	2.2
129.01959	1.9
133.01425	4.5
134.91525	2.5
136.93985	2.1
136.95180	2.1
136.96181	1.8
138.97321	1.4
144.95419	2.1
160.91766	2.9
188.94460	4.1
190.85143	1.5
208.93608	8.3
209.03015	3.5
211.00111	1.6
216.90826	2.9
216.93913	19.2
233.58392	1.3
245.11429	1.4
246.87929	1.7
254.85352	1.9
268.87524	3.8
309.11801	2.3
346.05450	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.37086	0.8
51.72173	0.8
51.97699	0.9
57.03435	1.4
59.01369	2.9
59.88241	0.8
71.52401	1.3
95.17701	0.8
97.06590	0.9
98.76472	0.8
99.08170	6.0
113.09674	1.4
115.92127	0.9
121.10250	2.6
125.09719	2.1
126.74925	0.8
127.11265	2.3
129.09213	1.1
134.89436	1.3
137.09703	0.9
141.09206	0.9
171.10269	31.3
172.10551	1.5
183.13927	1.6
193.12347	8.5
211.13425	8.8
212.13895	1.6
225.14978	12.5
243.16043	4.9
293.21289	2.3
311.22397	1.1
325.20023	2.8
328.05865	1.0
343.24869	100.0
344.25159	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01376	3.2
63.45285	0.5
69.03462	0.9
69.15321	4.6
71.01369	0.7
78.88772	0.5
83.05048	1.8
97.06573	1.4
99.08162	7.8
109.06612	0.9
110.17426	0.5
121.02976	0.6
121.10208	1.3
125.09718	2.4
129.09215	0.8
132.40430	0.5
135.04622	0.5
137.09702	1.1
139.11281	1.1
141.09189	0.8
149.13382	0.8
151.11290	0.8
153.09221	0.7
157.45517	0.5
163.11281	0.7
165.12921	1.0
167.10844	0.7
171.10258	11.1
172.10616	0.6
183.13907	0.9
184.14284	0.5
185.11812	0.9
193.12325	11.3
194.12695	0.6
207.92564	0.5
209.11829	3.4
211.13423	8.7
212.13744	0.8
222.25940	0.5
225.14958	17.2
226.15337	1.4
243.15981	7.8
244.16319	0.6
289.18079	7.3
290.18228	0.8
293.21213	4.1
307.19266	1.6
311.22250	2.3
325.23807	0.9
343.24878	100.0
344.25195	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.3
60.34867	0.7
61.98815	1.7
69.43055	1.7
69.43470	3.7
71.01387	1.7
71.04968	1.0
80.02668	3.4
81.03463	2.9
83.05030	11.5
84.02179	4.2
85.02947	0.9
89.26505	0.7
95.05012	1.8
97.06583	1.8
120.76582	0.7
125.06072	1.6
125.09712	1.4
127.07659	1.9
134.86729	0.9
134.89488	0.7
135.08186	1.2
139.07524	0.8
163.11304	8.2
165.12865	5.6
171.10268	7.8
181.12401	1.1
185.11760	2.1
191.10805	2.6
197.11848	4.2
209.11823	100.0
210.12143	7.4
227.12877	1.8
307.19131	1.3
325.19574	1.0
343.12250	1.0
343.21210	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.68552	1.0
57.79580	1.1
58.35535	1.1
59.01370	3.9
61.98827	2.6
65.88345	1.1
70.50252	1.3
71.51793	1.0
77.47544	1.2
89.74580	1.0
99.92487	1.2
125.09721	5.4
129.09167	1.8
134.89476	4.1
163.11247	1.1
169.12306	5.9
173.11790	2.3
181.12366	7.6
182.31120	1.1
197.11815	2.1
199.13402	8.0
211.13402	1.4
215.12805	2.2
275.20148	2.4
293.21277	3.7
311.22528	2.3
325.23981	2.3
343.21466	4.6
343.24878	100.0
344.25180	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
69.14410	2.6
69.14835	4.6
71.01376	1.1
71.05000	1.2
78.69254	0.7
80.02670	2.4
81.03458	2.6
83.05028	10.5
84.02170	4.1
88.76186	0.6
93.03455	0.7
95.05031	2.0
97.06578	1.5
108.02293	0.6
109.06551	1.1
111.08112	0.8
113.06089	0.8
122.98674	0.7
125.06110	0.8
125.09753	1.2
127.07648	1.1
135.08197	0.9
136.12357	0.8
139.07716	0.8
163.11281	9.3
165.12788	4.7
171.10310	1.9
181.12329	1.6
185.11781	2.2
191.10754	2.6
197.11797	2.6
209.11816	100.0
210.12167	8.0
211.13455	1.7
225.11534	0.8
236.37109	0.7
242.12909	0.7
307.19449	0.7
343.21191	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	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.7
59.01379	66.0
61.98817	3.8
63.96222	3.8
71.01374	4.8
71.45869	0.9
71.51994	2.0
72.99296	1.0
73.02919	1.6
73.14676	1.0
75.00861	1.1
78.98586	16.0
85.02950	6.7
89.02440	1.4
93.03431	1.4
96.96017	4.3
101.02448	3.8
108.02156	4.0
109.02961	10.7
113.02431	4.2
114.34827	1.0
115.00397	1.5
121.02955	100.0
122.03300	3.1
123.04507	2.2
126.16620	1.1
130.08691	1.7
135.04498	4.2
137.02466	1.2
138.09175	1.3
143.03523	1.2
152.07152	1.5
153.05540	2.2
161.02423	1.3
161.04607	1.3
163.04051	1.7
179.03476	2.0
181.01743	15.7
181.05051	3.2
181.08754	1.1
197.04478	1.9
226.06232	4.9
227.07094	3.6
255.10243	22.0
256.10666	2.0
299.09064	1.1
309.14560	2.4
315.08600	1.6
343.08398	5.5
343.13989	2.0
344.13034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23089	20.7
56.30690	20.0
57.94121	18.3
59.01366	90.8
61.98840	30.8
71.51938	29.7
83.05022	19.9
102.13670	23.5
112.08369	21.4
134.89505	22.5
283.81808	25.3
289.18002	48.0
307.19128	100.0
308.19385	20.2
320.88574	22.6
343.24829	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	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	9.9
64.23205	3.0
71.05007	3.7
71.22256	3.8
83.05021	9.9
84.02131	3.4
90.80184	2.9
95.05020	3.5
97.06606	4.6
98.20332	3.0
99.08169	3.4
102.52229	3.1
109.06579	4.0
115.07594	8.0
125.09705	7.9
125.30357	2.9
127.07677	3.1
129.09183	3.9
134.89461	5.9
137.09798	3.7
142.02643	3.1
143.10722	3.6
145.86182	2.8
151.11345	3.9
153.09399	3.2
155.10765	5.5
163.11237	6.9
164.11787	3.1
165.12828	3.3
171.10265	11.4
178.09961	2.9
181.12282	3.9
198.78484	3.2
199.09721	7.7
201.11258	6.8
207.10243	6.4
209.11804	100.0
210.12047	4.9
211.13441	13.9
289.18127	19.4
299.19983	4.3
307.19174	25.9
308.19769	4.4
343.24921	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.4
59.01380	17.9
61.98833	3.1
67.59997	2.3
70.66215	3.8
70.66545	2.6
71.01370	7.6
73.02952	4.6
81.76862	2.5
83.01372	3.0
85.03008	3.1
89.02441	4.7
97.06597	9.4
98.03751	5.2
99.08149	6.3
101.02448	3.6
111.08096	3.3
113.02438	2.7
115.07645	7.2
121.03010	2.8
121.99374	2.6
123.08169	3.5
125.09725	100.0
126.09985	3.4
127.07652	19.9
129.09216	93.0
129.95770	2.2
130.09531	3.9
141.09224	64.2
141.10323	3.2
146.96069	2.1
155.10794	7.2
162.90897	2.4
167.10793	11.6
173.08212	4.3
191.10738	5.8
193.12257	3.6
199.13408	20.7
200.13780	3.0
247.20554	3.1
252.13739	10.8
272.16141	3.0
287.25876	2.3
291.19540	6.7
315.20691	2.7
323.22327	13.6
341.10556	3.2
341.17709	6.1
341.21393	8.3
341.26859	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66914	0.7
59.01368	2.6
69.03449	2.2
70.44758	0.5
71.01404	0.6
73.02953	0.6
83.05031	1.9
84.02155	1.5
89.02444	0.8
92.79102	0.7
97.06579	11.3
111.08175	1.1
120.17791	0.7
125.09730	1.5
137.09731	1.0
139.11317	0.8
149.13347	0.8
151.07651	1.6
165.12833	1.1
169.08665	1.1
171.10265	16.0
175.11253	0.9
183.13960	0.8
193.12314	15.8
194.12599	0.9
197.11954	0.9
201.11510	0.6
211.13426	6.0
221.11893	1.3
225.14946	20.4
226.15239	1.5
228.92191	1.0
228.94376	0.7
243.16032	8.9
249.56677	0.6
253.14333	1.0
265.02844	0.7
291.19495	1.4
291.26770	0.7
323.18515	4.5
341.23294	100.0
342.23602	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44313	0.9
54.07677	0.9
54.50790	1.0
57.03443	3.9
59.01374	5.4
59.26235	1.0
61.40824	0.9
66.91681	0.9
69.03448	4.0
69.18459	5.6
69.18882	3.4
71.01369	2.5
77.48473	1.0
81.07826	0.9
83.05031	5.5
89.02464	1.9
94.49748	0.9
98.20615	2.0
107.05009	1.5
109.06591	2.2
111.08150	23.3
114.03232	2.3
120.10254	0.8
125.09698	1.3
151.11235	1.1
161.09680	1.2
162.32306	0.9
169.12297	4.9
171.10237	1.1
172.61275	1.0
183.01146	4.6
184.01984	0.9
197.11821	44.0
198.12163	2.6
199.11388	1.3
199.13383	3.5
199.29871	1.2
209.15477	6.0
215.12848	1.0
217.12402	1.1
221.15260	1.2
227.12843	1.2
263.20126	2.3
265.18106	2.2
273.18533	1.7
283.16986	1.7
290.16757	4.3
291.19791	6.9
305.19028	2.5
309.20737	10.0
323.22626	7.9
341.18103	6.0
341.23315	100.0
342.19626	1.7
342.23645	12.9
353.98138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78810	0.4
57.03439	0.8
59.01375	1.5
69.03444	2.4
69.56470	3.2
71.01376	0.5
72.99290	0.4
80.94833	0.5
83.05019	1.7
84.02175	4.5
85.02960	0.5
93.37302	0.5
95.05013	0.8
97.02956	1.4
97.06587	10.3
98.20620	1.1
99.04529	0.8
111.08179	0.6
119.08627	0.7
123.04514	0.6
125.09714	1.6
127.46976	0.5
136.97763	0.6
137.09691	1.2
153.09186	1.0
163.11288	0.7
165.12837	0.8
171.10257	12.4
172.10541	0.6
175.11290	1.0
183.13916	1.5
193.12328	11.7
193.14055	0.5
194.12642	1.2
197.15485	0.6
209.11752	3.5
211.13362	5.5
221.11813	1.2
225.14957	17.7
226.15274	1.3
239.12828	0.6
243.15982	6.3
244.16420	0.8
253.14445	1.0
254.11450	0.7
268.83521	0.5
291.19611	1.8
323.22327	0.6
323.63431	0.6
341.23306	100.0
342.23663	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46322	0.5
57.03446	0.8
59.01381	5.9
60.32840	0.5
61.98806	0.5
63.35000	0.5
68.81860	0.5
70.79314	1.5
71.01381	1.6
71.70232	0.5
81.03457	0.7
83.04997	1.1
84.02189	1.1
85.02957	0.8
87.67672	0.5
89.02432	1.5
93.03468	0.5
95.05038	1.2
97.06603	0.7
99.00861	1.0
106.04250	0.7
107.05006	0.7
109.06600	1.2
110.03770	0.6
111.08164	4.8
115.07653	1.8
119.64317	0.5
121.03003	0.8
121.06586	1.9
122.52669	0.5
122.53759	0.5
123.08154	1.8
123.35104	0.5
125.09721	1.3
127.11255	0.7
133.06570	0.6
137.09669	0.7
139.07640	2.8
139.11349	0.6
149.09734	0.9
151.07632	6.1
151.11366	0.6
153.12862	1.5
163.11255	1.7
167.10791	1.4
169.08684	3.8
169.12340	7.2
171.10268	29.6
172.10562	1.4
177.12830	1.6
179.05597	0.6
181.12315	8.6
193.12358	0.9
195.13919	1.1
197.11864	0.9
199.13377	11.6
201.11349	2.9
207.10234	0.8
211.09752	0.8
211.13171	0.6
213.11253	0.6
215.12828	1.6
221.11810	5.1
225.11359	1.2
227.12692	0.8
239.12897	1.7
279.19690	2.1
297.12424	2.0
297.20609	0.7
305.17596	1.1
305.21213	0.9
323.18591	10.5
323.22321	3.3
324.19006	0.8
341.11795	2.7
341.23300	100.0
342.20322	0.5
342.23657	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43012	1.4
51.57603	1.2
57.03455	1.5
58.00574	1.2
59.01384	18.2
61.98820	2.2
69.03432	1.4
70.64021	1.6
70.64359	3.3
71.01389	4.3
73.02932	1.6
79.04320	1.3
81.03405	1.9
83.05009	2.3
87.00890	1.6
89.02438	3.6
93.03480	1.4
95.05009	3.7
97.06561	2.8
99.00881	6.2
101.02433	2.1
105.56001	1.4
107.05051	3.5
108.02190	1.3
111.08164	8.5
113.02465	2.0
115.07665	2.4
121.03002	1.5
121.06572	3.4
123.08160	3.8
125.06056	2.0
125.09734	2.0
127.07612	1.5
127.11273	2.6
129.09164	2.4
139.07628	5.6
139.11272	3.5
143.03448	1.6
148.18105	1.6
149.09671	1.5
151.07640	17.1
163.11253	2.3
169.08687	14.9
171.10266	100.0
172.10571	5.5
174.40514	1.3
179.05493	2.3
183.10225	2.3
195.05037	2.0
197.11729	2.1
201.11285	9.4
207.10220	4.6
213.11287	1.9
215.12823	4.9
225.11264	4.9
227.12930	1.8
237.10330	2.4
279.19641	5.7
297.12442	22.0
298.12668	3.0
305.17645	3.2
323.18622	40.0
324.18976	4.8
341.11365	33.2
341.19547	7.6
341.23300	15.0
342.11771	2.8
342.23938	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27177	0.5
57.03458	1.0
59.01384	5.8
69.03473	1.0
71.01385	1.9
71.22091	0.8
72.99292	0.5
73.02944	1.0
75.26585	0.5
81.03434	0.6
83.05034	0.9
85.02945	0.6
87.37763	0.5
89.02443	1.0
93.03457	0.6
95.05031	2.4
96.96000	0.5
97.06590	2.2
99.00882	5.7
105.07072	0.6
106.04230	0.7
107.05042	1.1
109.06606	1.2
110.03746	0.7
111.08167	7.6
112.08450	0.7
115.07643	1.9
116.92870	0.6
120.61301	0.6
121.02964	2.1
121.06602	3.5
123.08159	2.5
125.06083	1.6
125.09772	0.9
127.11314	1.8
129.09224	1.9
137.09761	0.9
139.07645	4.9
139.11301	2.0
141.09186	0.9
149.09680	1.4
151.03873	0.7
151.07658	8.3
153.09184	0.7
153.12854	1.8
154.81932	0.5
163.11293	1.8
165.12898	0.8
166.06299	0.6
169.08691	10.5
169.10110	0.8
169.12343	5.7
170.09042	0.8
171.10268	80.3
172.10622	4.3
173.22543	0.5
177.12848	0.8
181.12350	9.4
181.15955	0.7
183.01106	0.5
183.10239	0.9
185.11865	0.9
193.08719	0.7
193.12341	0.8
195.10303	0.7
197.11861	1.8
199.13385	13.2
199.15120	1.0
200.13693	1.1
201.11310	2.8
207.10326	1.4
211.09753	1.1
213.11418	0.9
215.12833	2.7
221.11874	1.2
225.11328	1.6
225.14883	0.6
227.13019	1.0
235.20816	0.6
240.93999	0.6
279.19745	3.8
280.19720	0.8
291.19571	1.2
298.36462	0.7
305.17563	1.9
305.21262	1.5
323.18680	28.4
323.22324	3.5
324.19095	3.7
341.19821	5.5
341.23306	100.0
342.19922	1.1
342.23706	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	341.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	28.0
71.01372	10.0
71.51157	8.5
74.80343	4.9
84.16420	5.0
88.65669	5.6
89.02441	8.6
101.02413	6.5
109.03071	5.3
125.09711	12.3
135.08124	21.5
185.11786	23.2
189.28465	7.9
211.09955	5.2
232.02829	5.3
243.17574	9.0
287.16586	48.9
288.16800	6.4
305.17624	100.0
306.17731	15.4
336.28024	5.9
341.23401	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01389	2.1
59.51809	1.0
61.98811	1.0
68.26842	1.1
69.03436	1.5
69.65083	3.5
69.65508	3.4
71.01378	2.0
72.44840	1.0
81.03448	2.1
83.05020	2.4
84.02168	11.7
91.24159	1.1
95.05031	1.5
97.02944	3.2
97.06587	9.3
99.04511	1.5
107.05048	2.3
109.06608	1.7
113.92187	1.5
125.06081	1.9
125.09740	4.4
133.18221	1.1
135.08142	2.1
137.09683	1.9
153.09181	2.6
171.10254	22.7
172.10503	1.2
176.08328	1.2
183.13875	4.5
185.11768	1.6
193.12340	11.6
197.11797	2.8
199.09711	2.8
201.11247	1.6
207.10165	2.0
209.11810	23.6
211.13324	5.4
211.76189	1.2
225.11514	1.8
225.14989	14.9
226.15308	1.2
243.16010	9.1
254.11705	2.7
284.56668	1.1
287.16446	1.9
291.19739	3.4
305.17654	3.7
322.74387	1.3
323.18781	1.5
341.23309	100.0
342.23630	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	341.088
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03450	3.5
57.35601	2.1
59.01375	21.3
61.98827	4.4
64.93848	1.8
65.60561	1.9
69.19837	2.0
71.01378	11.2
71.50898	3.8
72.99310	4.7
73.02936	2.9
75.00867	9.3
77.70707	1.6
83.01424	2.0
85.02943	28.0
87.00865	1.8
88.72144	1.9
89.02453	6.6
101.02444	6.3
107.05021	7.7
112.28647	1.9
113.02434	2.4
119.05050	12.3
121.03024	1.8
123.04555	2.0
129.01932	6.3
133.02974	4.7
134.03748	4.4
135.04524	98.2
136.04874	3.5
137.63411	1.8
143.03493	2.1
147.02988	5.0
161.00821	2.0
161.02426	4.6
161.04475	2.3
163.04019	16.2
179.03487	100.0
179.05585	8.8
180.03842	7.0
191.01988	2.8
195.05043	18.3
305.78104	1.9
333.78674	2.2
341.05072	3.3
341.08875	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
57.03446	1.7
58.00594	4.7
59.01379	100.0
60.01720	1.3
61.61768	0.6
62.97303	0.6
69.03449	0.7
71.01379	77.8
72.01730	1.3
72.99311	5.5
73.02941	3.6
78.95905	11.5
83.01399	2.4
84.69083	0.7
85.02953	13.4
86.97000	1.9
87.00874	9.8
87.92524	1.3
88.98804	1.3
89.02444	97.4
90.02790	1.8
95.01395	5.2
96.96001	2.7
96.96970	0.9
97.02935	1.1
101.02441	40.0
102.02785	1.7
103.92023	8.0
105.93624	0.6
111.00905	1.9
113.02447	29.3
114.02782	0.9
119.03500	33.7
120.40437	0.7
125.02455	1.5
127.00146	2.5
129.01939	0.9
131.02605	0.9
131.03477	5.0
135.04536	1.0
143.03502	8.4
149.04549	6.3
151.00204	0.7
152.89514	1.7
161.04530	11.8
161.05730	1.1
161.96126	0.7
164.95737	2.7
179.05612	40.9
179.34285	0.7
180.05923	1.6
182.91510	1.0
184.89532	1.1
185.89255	1.9
188.95700	1.0
189.95714	1.2
191.01988	1.0
197.50865	0.7
206.96811	0.9
207.91324	1.9
213.00220	1.2
250.95688	8.2
251.90463	2.2
251.96156	1.0
305.79474	0.7
327.56369	0.8
341.10873	59.7
342.11319	3.8
348.79007	0.9
353.77597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
55.01867	1.4
57.03442	2.4
59.01383	31.4
61.98831	10.5
71.01381	14.4
71.50488	1.3
71.50880	1.2
72.99309	4.3
73.02942	4.5
75.00864	10.6
83.01405	1.9
85.02949	17.0
87.00874	5.4
89.02442	9.9
93.03458	1.4
95.01398	1.3
95.91082	1.0
99.00872	6.8
101.02443	8.8
105.03448	1.4
107.04967	1.4
113.02427	1.9
119.03609	2.2
119.05027	58.0
120.05411	1.2
121.02980	1.4
123.04481	1.8
129.01930	2.7
133.02953	8.7
135.04530	16.8
139.32774	1.0
143.03569	1.2
145.01450	1.4
145.02913	2.3
147.02959	1.1
161.00905	18.0
161.02405	4.7
161.04579	2.0
163.04008	100.0
164.04337	3.9
177.01883	2.8
177.04108	6.4
177.05501	1.5
179.01952	34.4
179.03491	15.2
179.05490	2.4
180.02298	1.7
181.05054	1.7
195.05099	9.0
279.10889	2.7
325.89386	1.1
341.05154	2.4
341.08868	3.3
341.11411	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01373	1.3
61.98834	4.0
70.07627	0.4
70.67371	0.4
70.76865	1.6
71.01395	0.5
75.21822	0.5
80.55305	0.5
85.99434	0.5
85.99984	0.5
88.45351	0.5
89.02444	0.7
100.03646	0.5
101.02476	0.6
106.57824	0.5
107.05052	1.0
116.34602	0.5
119.03481	0.6
133.02931	0.6
134.03764	3.3
135.04524	97.6
136.04854	4.4
137.02431	0.5
157.97252	0.5
161.02446	0.7
179.03499	100.0
180.03877	4.5
341.08719	16.8
342.09213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.03447	0.4
59.01384	2.2
69.20167	3.5
71.01379	1.2
72.99316	0.6
75.00871	2.8
85.02940	2.1
87.00854	0.5
89.02460	0.8
93.03538	0.4
99.00894	0.5
99.22334	0.3
101.02444	1.0
102.04625	0.4
105.79873	0.4
107.05000	1.0
115.90123	0.3
118.76836	0.4
119.05030	1.5
129.01923	1.4
133.02972	1.0
134.03754	1.6
135.04530	88.0
136.04854	4.2
141.63481	0.5
147.03015	0.4
159.03015	0.6
161.02391	0.8
163.03979	1.5
171.28520	0.4
179.03503	100.0
180.03844	6.0
195.05098	8.4
196.05389	0.4
310.97162	0.4
341.08884	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	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.02517	0.4
57.24728	0.5
59.01373	1.1
65.27574	0.4
69.85585	1.9
71.01402	0.5
85.02952	2.7
89.02450	0.7
98.20232	1.2
107.05038	1.3
107.45373	0.4
107.58793	0.5
133.02937	0.5
134.03780	3.4
135.04527	100.0
136.04848	4.6
141.11143	0.4
163.04037	0.5
179.03497	98.5
180.03825	5.6
180.55927	0.4
185.25038	0.4
195.05130	0.6
197.04706	0.5
218.63284	0.5
241.35278	0.4
341.08755	10.2
341.12482	0.6
342.09055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92867	0.4
59.01380	1.0
70.98969	0.8
75.00885	0.5
85.33683	0.3
90.93059	0.3
106.72053	0.4
107.05019	0.9
134.03758	3.5
135.04527	100.0
136.04849	4.4
179.03499	98.6
180.03825	6.0
195.05074	1.0
200.04178	0.4
228.64241	0.4
318.33353	0.4
329.59003	0.4
341.08759	5.2
342.08936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
58.36089	0.4
59.01377	5.7
61.98829	1.1
62.87494	0.4
69.22831	2.3
69.23256	1.7
71.01390	5.0
72.99297	0.6
73.02940	0.7
73.98289	0.5
75.00854	1.3
78.95905	1.7
80.88584	0.5
80.96488	0.4
83.01355	0.6
85.02944	1.6
87.00878	17.2
88.56923	0.4
89.02436	3.6
90.98592	76.8
91.98946	0.9
96.96003	1.8
98.87054	0.5
101.02435	1.6
107.05026	3.3
113.02444	1.5
117.00168	2.0
119.03516	1.1
121.02949	1.5
133.02943	0.8
134.03763	1.0
135.01219	7.7
135.04539	4.0
135.08113	0.5
143.03421	0.4
148.54230	0.5
149.02397	1.1
152.99545	1.3
160.99129	1.2
161.02451	1.5
161.04617	0.7
164.04752	0.7
165.04070	1.7
179.00189	100.0
179.03494	19.5
179.05551	3.4
180.00514	2.5
180.03798	0.8
193.05022	0.5
197.04547	0.5
223.06149	1.4
252.31924	0.5
274.53381	0.4
341.09177	1.0
341.12527	1.1
342.12012	0.6
343.02814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.65754	0.3
52.02505	0.3
52.35463	0.2
66.40833	0.3
71.31190	0.5
163.11285	100.0
164.11623	5.7
296.38620	0.3
310.32254	0.3
339.23264	61.6
340.23599	8.6
350.40549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23284	2.0
57.03456	3.1
58.02979	4.9
59.01379	100.0
59.28920	1.6
60.01709	11.3
60.99300	11.9
61.98832	2.8
66.48956	2.1
69.13992	19.1
70.02984	2.1
71.01384	16.4
72.12621	1.9
72.99303	1.9
73.02940	3.3
75.00877	3.4
75.77059	1.7
78.78071	1.9
85.02946	11.8
86.03370	2.3
87.00863	3.9
87.60336	1.8
88.98804	80.9
88.99361	4.0
89.02449	15.0
95.01408	2.9
101.02450	10.4
111.00881	3.6
113.02455	4.1
119.03474	5.4
119.05002	3.9
133.02937	2.3
133.99609	1.7
134.03728	4.5
135.04518	6.1
137.32481	1.8
143.03551	2.1
147.04529	9.0
149.02408	4.6
161.02458	8.3
161.04568	3.5
162.02739	1.8
164.07155	26.5
165.04131	2.2
166.56546	2.1
174.86754	1.6
179.03508	2.7
179.05649	8.8
193.05052	6.6
199.18564	1.8
206.08226	48.2
207.08534	3.1
223.06117	4.0
280.14899	3.7
329.81149	2.1
340.15698	4.8
341.11755	5.7
341.16068	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33323	6.4
59.01379	36.3
59.90748	5.5
62.43455	6.2
68.74342	5.4
71.01390	12.8
71.51818	8.7
83.05025	6.1
95.05028	85.9
96.72677	5.2
97.06582	28.2
99.08160	15.1
109.06562	11.1
113.06127	8.7
123.04557	7.5
125.09698	9.7
127.07632	58.5
137.02414	7.7
139.07582	8.2
151.11256	13.5
153.09215	10.8
153.12810	27.6
167.03424	8.7
179.10695	8.3
181.12366	17.2
183.01178	13.8
183.13893	83.8
184.14244	7.8
190.52754	5.8
197.11690	10.1
205.12328	11.1
209.11842	10.3
210.12674	8.3
211.13387	68.9
229.14441	6.8
241.14391	17.8
243.15976	35.3
244.16368	8.1
245.19078	9.9
251.46951	5.2
270.14734	75.0
272.03140	5.5
279.19623	21.8
289.18094	53.8
307.19098	11.9
309.26804	6.5
311.22238	14.2
321.20688	100.0
322.21213	8.5
339.12338	16.6
339.16104	7.6
339.21924	47.5
364.88242	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	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99776	5.4
54.73201	6.2
59.01382	51.2
63.27066	5.5
66.52196	6.3
71.01355	6.2
95.05019	91.9
97.06571	15.1
99.08156	18.2
109.06577	13.7
113.06120	6.8
125.06062	8.4
125.09689	16.1
127.07654	75.1
145.86914	7.3
151.11333	13.3
153.12837	23.0
161.02486	7.8
168.08936	6.5
171.06541	9.9
179.10780	12.1
181.12335	17.4
183.01160	9.8
183.13902	100.0
184.14131	7.1
197.11769	11.5
205.12193	6.3
209.11749	15.7
211.13387	82.2
212.13777	8.7
229.14529	8.0
229.29956	8.1
241.14464	13.8
243.15971	39.4
245.19109	7.8
254.75107	7.4
270.14716	85.9
279.19577	20.0
289.18143	48.8
311.22305	14.7
321.20648	99.9
321.24136	10.5
322.21027	10.0
339.16348	15.1
339.21402	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20085	1.2
57.03442	6.0
58.00591	3.0
59.01360	5.8
69.03424	2.1
69.65821	2.9
69.66234	5.8
71.01380	30.8
71.05002	3.1
72.02155	16.8
73.02943	3.7
81.07106	2.2
83.05035	2.9
84.02165	4.7
85.02943	4.4
89.12942	1.3
95.05015	3.8
97.06586	14.2
98.03741	3.6
98.19980	1.9
98.20483	1.9
98.69476	1.3
99.08151	16.3
109.06596	9.2
111.08155	7.2
117.96059	1.8
121.06591	3.4
123.08157	2.5
124.05261	2.2
125.06076	5.4
125.09720	97.6
126.10044	5.4
127.07653	100.0
128.07967	3.7
136.43959	1.4
139.07654	81.8
140.07979	3.3
153.09193	4.9
155.10805	2.0
167.10800	10.1
175.36835	1.3
183.01173	6.8
191.10713	3.2
199.13368	18.0
237.14867	2.5
241.14415	3.3
245.19037	1.7
252.13657	63.7
253.13971	4.6
268.13190	18.1
269.13739	3.8
276.65585	1.3
289.18082	4.7
303.19675	1.8
307.19009	2.1
321.20700	11.0
339.12741	1.9
339.16403	8.7
339.21786	12.7
360.76315	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51699	1.3
55.01885	1.7
57.03429	2.9
59.01369	4.5
69.17452	3.8
69.17870	9.6
71.01404	1.5
73.16190	1.4
78.95916	1.5
81.03446	4.4
83.01374	10.0
83.05016	1.9
83.51987	1.5
84.02163	3.0
95.05002	2.3
97.02951	2.2
97.06598	5.8
111.08116	1.3
119.08654	4.1
121.06579	8.0
123.08170	2.6
125.09721	57.0
126.10043	1.6
127.07642	5.5
135.08185	3.0
137.09715	3.8
139.07623	1.9
152.08482	1.5
163.07626	3.9
163.11346	7.0
165.12816	1.6
167.10820	4.0
171.10280	5.7
173.09729	1.7
181.12323	2.8
185.11790	3.3
191.10756	12.5
194.48569	1.3
197.11955	1.7
199.13370	7.9
201.99365	1.5
207.10269	5.6
209.11855	19.8
210.12178	2.5
223.13408	4.8
226.12077	14.3
237.11333	6.1
239.12875	22.7
240.13313	1.7
241.14445	100.0
242.14818	7.0
245.19104	4.9
252.13574	2.0
271.17099	2.5
277.14334	2.0
289.18039	30.7
290.18427	3.1
292.64938	1.5
306.18390	3.8
307.19125	4.3
313.36765	1.4
321.20703	81.0
322.21082	9.1
339.21841	14.2
340.22067	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51744	0.7
59.01372	2.8
69.03484	0.9
72.99321	3.3
83.05047	0.8
89.57380	0.7
96.34624	0.6
97.06586	5.7
98.19935	1.8
125.06085	16.3
125.09777	1.3
127.07664	0.8
128.13522	0.7
143.07140	70.3
144.07494	2.5
151.11284	13.6
152.11658	0.8
155.50914	0.8
169.12338	100.0
170.12665	5.7
183.01207	1.9
195.10268	1.1
213.11320	92.4
214.11728	5.3
218.27364	0.8
237.15060	1.6
289.18103	1.0
321.20749	1.6
339.18198	17.2
340.18533	1.4
355.23648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.4
58.00593	1.9
59.01371	3.3
68.12279	1.6
69.18272	4.4
69.18682	10.6
71.01378	27.9
71.05003	2.1
72.02163	19.3
73.02937	2.0
81.07070	1.5
84.02161	4.4
85.02948	6.9
97.06603	11.9
98.03717	4.1
99.08161	15.5
100.87174	1.6
108.65981	1.9
109.06594	8.5
111.00910	1.9
111.08146	7.2
113.02416	3.1
121.06615	1.6
123.08175	3.5
124.05288	2.0
124.35577	1.8
125.06064	5.0
125.09721	97.2
126.10048	3.5
127.07647	100.0
128.08017	3.5
139.07645	78.8
140.07941	3.7
153.09181	7.8
167.10806	12.7
191.10713	2.1
199.13379	19.7
211.46385	1.6
252.13635	62.4
253.13985	6.6
268.13196	15.3
269.13818	5.2
271.17126	2.6
289.18051	15.0
321.20682	18.6
322.20877	3.1
339.21811	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	339.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34540	0.7
55.32639	0.7
57.03445	1.3
59.01377	100.0
60.01709	1.1
60.54877	0.6
61.98822	1.3
67.79646	0.6
69.64657	4.2
71.01382	7.4
75.00901	1.1
78.95911	5.2
83.01376	1.0
85.02950	6.7
87.00896	1.2
96.96975	2.1
98.61892	0.7
101.02440	1.5
103.04020	2.5
111.00926	0.7
113.02411	1.6
121.02945	1.0
129.01938	1.7
133.02975	2.0
135.04478	1.1
149.00887	2.0
163.04025	1.9
177.01918	3.4
178.33961	0.8
189.53703	0.8
191.01949	0.7
207.02913	0.8
237.09926	0.7
241.01122	1.4
247.08174	7.7
338.98953	1.4
339.10818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2384
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
59.01365	2.5
77.07497	0.8
78.25081	0.9
86.47467	0.7
89.57119	0.8
92.47787	0.8
98.20673	2.3
116.28078	0.7
123.33029	0.8
158.94112	0.8
174.81929	0.9
229.48692	1.1
229.73590	0.8
305.21198	8.5
337.23834	100.0
338.24130	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	338.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12734	0.2
57.03461	0.2
58.02975	2.2
59.01383	1.0
60.18415	0.2
61.98829	0.6
66.66068	0.1
68.50162	0.2
69.03470	0.2
69.64058	0.4
69.64472	0.5
77.39369	0.1
81.03483	0.4
85.02938	0.4
95.05029	0.2
97.06596	0.8
98.19883	0.2
109.06606	0.2
120.35756	0.2
128.10818	10.7
129.11148	0.5
130.08739	100.0
131.08252	0.2
131.09096	3.0
135.08177	0.3
147.08147	0.2
172.09789	2.1
173.79532	0.1
211.44695	0.1
265.09183	0.1
338.19714	47.9
339.20102	5.0
348.79132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.9887
Annotation	D-myo-Inositol 1,4-bisphosphate
Peak:m/z	Relative Intensity
52.46034	0.4
61.13545	0.5
70.98536	1.1
78.95900	100.0
85.75183	0.4
86.36716	0.5
96.96957	62.4
126.58735	0.4
138.97998	2.3
150.98019	1.6
156.91524	0.4
158.92526	10.7
168.99077	1.2
176.93608	3.2
180.98987	0.5
203.37193	0.5
223.00117	4.3
238.87715	0.7
240.87558	2.1
241.01184	37.2
242.01501	1.4
255.44257	0.5
256.84955	1.9
259.02216	3.2
320.97784	6.1
338.98834	44.9
339.99094	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	337.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26184	2.5
57.03447	7.1
59.01373	19.0
69.66355	12.0
73.02993	3.1
79.76666	2.6
81.03443	5.8
83.05046	7.9
84.84346	2.9
85.02932	3.2
85.63619	2.9
93.03432	3.6
93.12465	2.5
93.33657	2.7
95.05022	6.9
97.02923	5.9
97.06580	6.5
99.06339	2.5
107.05032	38.1
109.06559	5.2
111.08144	2.9
119.04977	6.1
121.02880	2.7
123.04531	16.7
123.08153	4.7
125.02451	4.6
125.06091	19.8
125.09743	20.8
127.07673	3.8
127.24735	2.8
135.04526	2.7
135.08153	21.1
137.06108	14.6
137.07037	2.7
139.11234	2.8
147.04472	3.3
153.09206	30.7
163.11284	5.8
176.08376	5.4
179.10719	3.8
181.12321	3.7
185.11804	20.0
189.12846	5.9
191.10741	17.1
197.11810	8.4
199.81754	3.0
206.44485	3.4
207.10155	4.8
209.12018	3.6
212.16493	3.1
217.12317	9.5
232.78992	3.2
243.17535	36.1
261.18576	6.6
264.04510	3.4
267.12350	9.3
269.15433	4.6
287.16547	36.7
293.21207	7.2
305.17468	33.8
306.18024	3.9
319.19141	100.0
319.22900	4.8
320.19467	11.2
322.17789	18.8
337.20248	48.8
338.20541	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	337.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17267	1.4
53.20549	1.6
53.48923	1.6
57.03447	4.6
59.01375	7.8
61.98827	2.8
67.01883	3.2
69.03448	6.1
71.01366	2.8
71.05016	2.6
80.02666	5.3
81.03461	11.6
83.01380	18.7
83.05028	5.9
84.02171	19.9
85.02946	6.9
93.03468	2.9
93.08961	1.6
95.05016	8.4
97.02961	7.0
97.06587	34.5
107.05024	26.2
108.02168	3.0
109.02981	2.0
109.06544	4.1
110.03730	4.1
111.00886	10.2
111.04484	4.2
113.06085	4.8
121.02917	4.0
123.04508	4.7
123.08133	11.8
125.02412	3.0
125.06078	7.2
125.09715	38.2
127.07639	6.6
129.01857	2.3
135.08151	38.4
137.06148	1.6
139.07654	5.9
142.02727	1.8
147.04506	2.5
147.08087	2.0
147.11781	4.1
148.17404	1.5
151.07610	2.7
153.09215	38.2
153.10365	3.5
154.09558	1.9
161.09744	3.0
163.11266	13.6
165.09201	10.9
165.12811	2.6
171.10243	2.8
176.08430	1.9
179.10777	4.3
185.11823	1.9
191.10776	32.8
192.11043	2.8
205.25543	1.9
207.10268	30.1
208.10738	1.9
209.11824	31.9
217.12431	3.3
217.27631	1.6
223.13377	24.5
239.12836	23.0
240.13406	4.7
241.14423	25.7
242.14856	1.9
243.17552	6.1
250.12117	5.9
267.12350	4.0
268.13141	100.0
269.13516	20.2
277.18008	2.7
283.89398	1.7
285.40054	1.7
287.16605	5.3
293.21478	2.8
309.20691	3.1
319.19125	37.9
320.19446	4.6
337.20190	77.9
338.20746	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	337.202
Annotation	5,8-Diacetoxynerolidol
Peak:m/z	Relative Intensity
51.97704	1.1
55.01863	2.5
57.03440	3.1
59.01395	5.8
63.28257	1.1
69.03443	3.0
70.51227	1.2
71.05021	3.3
71.52213	1.6
71.80537	1.1
74.17939	1.2
78.14761	1.1
80.02692	6.3
81.03458	14.1
83.01393	23.1
83.05026	4.8
83.91708	1.1
84.02169	29.6
85.02951	3.1
93.03416	1.9
94.88098	1.3
95.05022	8.3
96.95987	1.2
97.02957	3.5
97.06593	48.9
98.06956	1.3
107.05070	2.2
109.06590	2.1
110.03749	4.4
111.08167	2.0
116.72308	1.2
118.49570	1.4
123.08148	8.1
125.09721	33.3
126.10058	2.1
129.01927	1.9
131.05708	1.4
135.08168	55.3
136.08473	2.1
147.11794	3.2
149.09666	1.9
149.82005	1.2
151.07625	3.2
152.08459	1.3
153.09206	36.5
163.11308	11.7
165.12883	3.6
181.12361	3.8
191.10771	30.6
192.11247	1.8
201.11325	1.5
207.10263	6.7
209.11830	43.8
210.12067	3.4
223.13382	35.6
224.13780	2.5
239.12885	9.0
240.13504	1.9
241.14458	39.9
253.18185	2.7
268.13168	8.1
276.42612	1.4
277.18076	4.4
305.17648	3.5
309.20786	5.7
319.19168	4.4
324.78070	1.2
337.20193	100.0
338.20551	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	337.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51845	1.1
57.03446	2.9
59.01379	5.9
69.03439	4.4
69.66003	6.8
70.54530	0.9
71.01369	3.2
71.05025	2.1
73.02956	1.5
77.94124	1.2
80.02649	1.5
81.03467	8.5
83.01390	4.9
83.05037	6.8
84.02168	8.1
85.02947	2.8
93.03481	1.7
95.05046	6.3
97.02940	5.8
97.06606	10.0
98.19836	2.0
99.04506	2.6
99.08160	1.8
106.04279	1.4
107.05030	47.3
108.05362	2.1
109.02968	2.7
109.06573	4.3
110.03756	2.8
111.00164	1.2
111.00881	11.0
111.04530	4.9
111.08149	2.9
113.06064	5.7
119.04997	1.6
121.02930	4.4
123.04536	10.0
123.08143	10.0
125.02409	4.9
125.05257	1.4
125.06090	19.2
125.09723	27.6
126.09961	1.1
127.07633	8.1
135.04526	1.1
135.08170	12.7
137.06082	1.7
139.07671	5.6
142.02713	1.8
146.16458	1.1
147.04478	2.9
147.08200	1.2
147.11821	2.0
149.09708	1.1
151.07584	1.4
151.11298	1.5
153.09215	27.6
154.09528	1.2
163.11278	9.4
165.09167	6.2
167.10735	1.3
176.08400	4.0
177.09158	1.4
179.10710	2.6
189.09198	2.6
191.10765	20.8
192.11060	1.5
197.54659	1.1
207.08363	2.1
207.10252	31.5
208.10703	1.4
209.11812	12.6
217.12314	8.7
223.13332	8.7
237.11223	1.4
239.12897	21.3
240.13594	2.2
241.14462	7.1
243.17522	5.0
245.15472	1.8
250.12184	7.2
253.11205	1.1
259.17102	1.5
261.18469	1.8
267.12350	7.7
268.13147	100.0
268.38083	1.2
269.13309	7.4
277.18066	1.3
287.16492	6.3
293.17987	1.1
293.21152	2.7
305.17551	3.6
309.20663	1.3
319.19119	71.3
320.19467	7.3
337.20230	28.6
337.23810	2.2
338.20334	4.0
338.24097	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	337.093
Annotation	1-Caffeoyl-4-deoxyquinic acid
Peak:m/z	Relative Intensity
51.03468	0.3
57.03433	1.0
57.08053	0.3
58.02975	0.6
59.01379	4.4
60.83859	0.3
61.98828	0.5
63.80411	0.3
69.27805	2.8
70.00332	0.4
71.01387	0.7
73.02946	3.2
80.96528	0.4
82.19614	0.3
85.02963	3.1
96.96096	0.3
97.06645	0.4
98.20271	1.6
99.04511	2.1
107.05028	0.4
111.00959	0.4
111.37992	0.4
115.04078	0.4
117.03429	0.5
119.05022	1.0
128.10820	4.4
129.01930	1.5
130.08736	42.4
132.02171	1.0
133.02956	22.7
134.03290	1.2
135.04515	4.3
137.22922	0.4
143.03496	13.9
144.03810	0.8
145.02960	1.2
147.02982	0.7
156.34154	0.3
161.02438	100.0
162.02777	5.6
163.03981	0.6
165.05560	0.8
172.09790	1.0
173.00914	0.9
175.06114	18.1
176.06500	0.4
179.03470	1.7
191.02008	0.5
194.01273	0.3
270.97327	0.4
313.79602	0.4
337.09143	0.9
337.13107	0.6
337.16763	0.9
338.19739	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	337.202
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
52.76468	1.8
57.03431	4.9
59.01371	13.5
69.03459	2.7
78.61721	2.1
80.02692	2.2
81.03472	2.4
83.01390	2.9
83.05032	3.0
85.02976	3.3
93.03445	2.7
95.05025	8.8
97.02916	2.9
97.06587	7.3
107.05024	34.0
109.06580	5.6
112.22635	2.1
119.05003	3.2
121.06570	2.6
123.04536	13.4
123.08160	3.9
125.02438	4.3
125.06083	17.2
125.09723	17.9
128.13582	1.8
135.08154	18.9
137.06090	10.5
137.09712	3.4
147.04539	4.9
151.11267	2.4
153.09221	23.9
161.06076	2.7
163.11292	7.1
165.09227	3.7
173.00833	2.8
176.08380	6.8
181.12326	2.2
185.11826	13.2
189.09218	2.3
189.12837	5.2
191.10786	13.0
197.11807	3.8
207.10278	4.9
209.11781	5.0
217.12334	7.7
225.11385	3.1
239.12766	2.2
243.17517	30.2
244.17809	4.3
261.18469	3.8
262.18982	2.4
267.12372	9.3
269.15479	4.0
287.16510	38.1
288.16779	5.0
293.21152	6.1
305.17554	31.7
306.17917	4.5
308.55630	2.3
319.19125	100.0
320.19479	11.1
322.18079	11.7
337.17169	2.3
337.20197	55.7
338.20477	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46611	1.0
55.01862	1.8
57.03448	11.9
59.01372	5.5
69.61486	4.7
71.01374	2.3
72.99295	2.2
82.95956	0.9
83.01370	1.6
84.02168	1.7
85.02949	100.0
86.03278	2.1
98.20609	1.2
103.00344	1.4
111.64759	0.9
117.03432	4.5
119.05018	7.0
129.01933	6.3
134.55832	0.9
145.02942	22.0
146.03236	1.6
147.01846	1.8
147.02982	27.6
163.04027	6.5
191.01968	35.3
192.02313	1.4
271.30200	1.0
293.06613	4.0
359.36874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
56.71422	0.9
57.03448	8.0
59.01376	6.2
69.51169	5.2
71.01403	4.5
72.99305	4.2
75.00864	0.9
78.35637	0.9
83.01385	2.1
84.02144	1.2
85.02950	100.0
86.03262	2.1
98.20776	0.8
111.00897	2.5
117.03471	6.8
119.05029	6.6
129.01936	2.2
136.24475	0.8
145.02948	22.2
147.02997	57.6
148.03317	1.9
149.80070	0.8
163.04013	5.6
173.00890	1.1
191.02016	1.9
210.50034	0.9
231.06586	1.1
272.84628	0.9
293.06662	2.7
337.05759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
56.41890	0.6
57.03448	18.0
59.01369	1.3
59.82576	0.6
70.19974	2.1
72.99331	0.8
83.01383	1.8
84.02148	1.1
85.02949	100.0
86.03266	2.4
111.00887	3.1
117.03482	0.6
119.05029	10.5
129.01944	33.5
139.20247	0.7
140.17050	0.6
140.57886	0.6
145.02927	1.6
147.02980	2.8
163.04002	9.0
173.00839	5.6
174.01253	0.7
174.81429	0.6
182.63390	0.6
191.01903	0.9
337.05380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66872	0.7
55.01869	2.1
56.20054	0.7
57.03448	11.9
59.01377	4.1
66.37421	0.7
69.41222	3.9
69.41628	1.2
70.77512	0.6
71.01387	1.1
83.01389	3.8
84.02162	2.6
85.02952	100.0
86.03291	2.2
92.59177	0.7
95.81247	0.7
98.20283	3.1
103.00361	1.5
110.88065	0.7
111.00891	2.5
117.03443	2.0
119.05029	8.0
129.01930	5.2
145.02957	8.4
147.03014	9.8
150.17470	0.7
163.03995	6.2
173.00893	2.2
191.01976	99.6
192.02310	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	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.2
57.03452	12.0
59.01357	2.8
66.91675	1.6
69.56786	3.0
69.57187	10.7
71.01335	2.4
74.11703	1.7
83.01392	5.3
84.02166	3.9
85.02950	100.0
86.03300	2.9
87.29355	1.9
93.03466	4.9
96.56229	1.8
107.79352	1.6
110.77780	1.6
111.00871	7.5
117.03487	9.1
119.05024	72.3
120.05366	3.4
125.02425	2.7
129.01952	36.6
145.02957	61.9
146.03333	2.6
147.02992	8.9
147.04532	2.6
161.06035	2.4
163.04002	56.6
164.04291	2.1
173.00864	6.9
177.05540	3.3
182.83304	1.9
191.01974	49.0
203.07137	6.2
231.06610	27.8
232.07008	2.1
241.06375	1.8
264.76282	2.1
300.28391	1.8
337.05603	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	337.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02171	1.6
56.38368	1.6
57.03445	15.5
59.01358	2.8
66.11278	1.5
68.97359	1.5
70.26189	4.1
71.01381	1.7
72.99288	1.7
80.53329	1.6
83.01379	6.8
84.02171	4.0
85.02950	100.0
86.83580	1.5
93.03438	1.7
99.41382	1.7
109.81003	1.5
111.00904	1.8
116.53365	1.7
117.03455	4.4
119.05023	19.8
122.69501	1.6
124.96249	1.9
129.01939	61.5
130.02277	2.3
145.01892	1.2
145.02943	32.0
147.02997	53.3
148.03297	1.8
154.99861	6.5
162.93842	1.6
163.04016	18.1
166.47420	1.8
173.00903	91.3
174.01233	4.6
179.84799	1.8
203.07115	5.2
231.06644	16.1
275.05634	2.1
319.04666	4.0
320.04892	1.8
337.05679	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
57.03447	20.6
59.69839	1.6
68.75461	1.6
69.45353	3.3
69.45773	8.6
71.01404	2.3
72.99302	6.5
83.01376	23.5
84.02170	5.6
85.02949	73.2
93.03445	6.1
97.02943	2.3
111.00901	8.3
117.03442	13.0
119.05025	100.0
120.05332	3.3
121.02940	2.2
125.02460	2.3
129.01939	98.0
139.51575	1.9
143.04980	4.6
145.02946	69.8
146.03319	3.3
147.02957	4.9
147.04427	2.2
154.99870	19.5
160.05342	2.4
163.03996	64.7
164.04280	1.7
173.00900	93.8
174.01198	2.6
174.06969	1.9
185.06058	9.5
203.07172	12.8
231.06621	33.4
231.95831	2.2
232.06912	2.4
275.05435	2.4
319.04486	6.5
337.05658	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03446	11.0
59.01370	4.3
69.27553	6.3
71.01373	2.0
72.99289	1.3
83.01388	1.9
84.02142	2.3
85.02951	100.0
86.03268	2.0
89.39484	0.8
98.20294	4.2
103.00353	1.9
111.00907	1.5
117.03461	7.7
119.05006	3.7
123.73435	0.9
129.01939	2.1
145.02953	27.3
146.03276	2.2
147.01849	1.5
147.02998	22.7
148.93001	0.9
159.96220	0.8
163.03981	2.5
173.00905	0.9
185.64079	0.9
191.01978	98.9
192.02315	3.6
202.85590	1.0
239.90486	0.8
293.06729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
56.41816	0.7
57.03446	13.3
58.80169	0.6
59.01373	6.1
70.99829	1.5
71.01387	1.6
72.99287	1.1
82.71391	0.6
83.01393	2.9
84.02145	2.3
85.02946	100.0
86.03288	2.7
86.18941	0.6
88.04363	0.6
103.00385	1.3
111.00903	3.6
117.03459	0.9
119.05024	21.8
120.05371	0.9
129.01939	6.1
137.40561	0.7
145.02983	3.5
147.02991	5.4
148.87933	0.6
160.01639	2.2
163.04008	22.0
164.04361	1.0
173.00949	3.9
175.03984	3.7
183.47661	0.6
191.01962	83.2
192.02310	2.2
231.06612	1.4
258.04730	0.6
293.06601	0.7
337.05685	1.4
337.12964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40121	0.9
55.01885	1.2
57.03450	10.1
59.01374	3.2
68.99828	1.0
70.49653	2.5
70.49992	0.9
71.01388	4.3
71.01754	0.9
72.99306	3.6
75.00871	1.0
83.01394	2.1
84.02157	2.3
85.02953	100.0
86.03294	2.9
98.20247	2.1
111.00876	1.2
117.03461	5.6
118.31464	0.9
119.05029	8.5
129.01952	7.5
135.11456	1.2
145.02957	40.3
146.03264	2.2
147.03003	56.4
148.03311	2.4
163.04021	10.4
191.01953	1.9
231.06570	1.4
266.55066	0.8
293.06631	10.8
294.07187	1.0
320.64252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
59.01379	4.6
61.01024	0.8
68.99802	1.7
70.04005	0.6
70.78406	1.8
71.01382	6.0
72.20232	0.6
72.99301	9.9
73.02956	0.8
73.95095	0.7
75.00877	4.2
75.02590	6.3
83.01374	4.0
85.01022	4.2
85.02964	2.9
86.64114	0.6
87.00896	1.5
88.98832	0.7
89.02459	1.7
96.96016	0.9
99.00877	4.3
99.02598	2.4
99.99722	1.3
101.02445	2.1
103.00389	2.3
111.00885	2.0
112.98796	4.5
113.02467	1.5
114.98441	7.0
115.00386	1.1
115.02107	2.8
116.59801	0.9
117.01920	0.8
124.98839	1.3
127.00320	1.0
127.02116	1.6
129.01953	3.1
129.03679	2.8
131.37436	0.6
141.03662	0.7
142.99860	3.7
143.01549	4.3
145.01370	1.1
155.01668	0.7
157.01402	1.8
168.99522	1.4
169.52795	0.6
170.66682	0.7
171.01076	14.6
172.01355	1.3
173.00940	2.3
173.02579	0.8
175.02544	0.7
199.00555	2.0
201.02202	1.2
203.03708	5.9
231.03108	2.8
263.05789	100.0
264.06256	4.9
283.41983	0.7
316.59567	0.7
335.04269	68.6
335.12863	3.5
336.04764	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	335.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46249	0.5
53.72932	0.5
55.01864	0.7
56.37431	0.5
57.03447	14.4
58.50907	0.5
59.01373	5.5
61.98847	0.5
65.00349	0.5
69.89599	1.4
69.89996	1.0
71.01379	2.8
74.89812	0.5
80.05058	1.3
83.01389	2.0
84.66823	0.6
85.02956	11.8
86.03262	0.5
87.00883	0.8
89.02441	1.3
96.96003	1.0
98.20555	0.9
99.00879	1.8
101.02452	2.7
107.05039	0.6
109.02951	3.9
111.00890	1.4
121.23647	0.5
129.01945	100.0
130.02281	2.6
132.02202	0.9
133.02951	19.9
134.03697	0.9
134.06079	1.0
135.04536	8.6
137.02457	0.8
152.07260	1.4
159.04512	1.1
161.02438	54.1
162.02803	2.5
164.01134	1.3
171.04494	1.0
173.00906	41.3
173.06015	1.0
174.01268	1.2
174.03253	1.8
179.03499	2.0
187.03999	0.8
194.04584	1.5
203.07095	1.3
217.05057	1.2
219.06604	2.3
229.04997	0.8
231.02954	3.2
245.04486	1.9
260.03375	1.1
261.03912	0.8
265.64108	0.6
273.03995	6.0
274.04373	0.6
274.07242	0.6
291.05020	0.6
335.04068	33.4
335.17023	2.5
335.20694	1.0
336.04358	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	334.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14723	1.9
54.41194	2.4
56.72485	2.1
57.01747	2.3
61.98830	100.0
68.24643	2.1
98.19858	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	335.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30092	0.6
55.01881	1.2
57.03448	13.4
59.01377	12.0
61.98821	0.7
65.66338	0.5
66.70753	0.5
69.36703	2.8
69.37120	1.2
71.01368	4.6
72.99306	0.9
73.02941	0.8
74.99091	0.6
80.05070	1.0
81.70722	0.5
83.01394	2.4
85.02952	12.5
87.00873	0.8
89.02441	1.3
95.01399	0.7
96.96007	2.7
98.20605	1.3
99.00896	1.9
101.02442	3.0
109.02950	4.4
111.00908	0.9
113.02448	1.3
119.05035	0.7
129.01938	100.0
130.02254	3.4
132.02159	1.2
133.02946	21.1
134.03773	1.0
135.04521	9.9
137.02452	0.6
145.02908	0.7
145.06540	0.6
149.98491	0.6
154.99852	0.7
155.04944	0.6
155.10751	0.9
159.04483	1.5
161.02435	56.4
162.02853	2.7
163.03998	1.3
164.01170	1.2
171.04590	0.6
173.00902	39.9
173.06020	1.4
173.11855	3.5
174.01262	0.8
174.03197	2.1
175.03934	0.8
175.07584	1.0
179.03487	2.8
187.03905	0.8
189.05550	2.1
194.04588	1.1
200.59245	0.6
201.05511	1.1
203.07036	0.7
217.05170	1.5
217.21857	0.6
219.06592	1.9
229.05069	1.6
231.02972	3.8
245.04485	2.4
247.05997	1.3
261.04034	0.6
273.04086	7.1
291.05096	1.3
293.16086	0.8
335.04059	33.3
335.10925	1.1
335.17227	13.5
336.04501	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71177	2.2
59.01369	10.1
59.36131	2.4
61.98832	13.2
66.71391	2.4
69.14435	2.4
71.51945	2.9
79.90053	2.5
85.02934	4.5
92.05063	6.5
96.96027	5.4
98.40760	2.6
103.04270	2.7
104.05019	3.9
108.04566	3.8
117.50371	2.7
122.06116	20.2
128.03528	3.6
138.05597	14.5
140.07208	12.0
148.04022	5.6
154.06668	3.1
155.07375	2.9
158.09680	3.3
166.05055	15.1
167.05856	4.1
168.06729	3.9
169.08960	3.2
172.11295	7.0
184.11256	12.1
187.06422	2.7
200.07071	4.1
201.07851	2.8
202.12375	9.5
205.12616	11.3
212.05846	5.7
214.08733	4.5
215.09349	4.5
216.10417	13.3
217.07433	30.3
225.06525	3.1
226.07338	3.5
227.04544	3.5
231.08960	12.9
238.07330	2.9
240.08914	3.4
241.09811	24.0
242.10512	3.0
246.11319	71.4
247.11713	9.5
253.09891	11.9
259.10846	17.0
271.10870	100.0
272.11252	7.6
289.11780	14.5
315.09818	10.9
333.10739	67.2
333.14069	5.7
333.20190	2.8
334.11124	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.9263
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48574	1.8
70.48924	2.8
71.01384	2.2
72.99305	2.9
87.92528	100.0
90.94916	1.6
98.20606	1.2
101.94115	1.8
103.92025	69.9
104.92797	36.3
104.93495	2.1
105.93575	11.1
106.94388	2.5
119.91504	3.7
123.94646	7.5
125.94149	1.1
130.94418	1.7
143.91577	1.4
143.95183	1.6
147.94600	6.2
158.93921	1.6
160.91805	3.1
171.94643	1.4
173.96161	5.8
175.94098	1.7
185.92642	1.3
199.94038	1.8
217.95190	14.6
227.93570	8.1
245.94629	14.8
273.90466	6.3
274.90399	1.3
290.59680	1.3
315.91571	17.2
333.92664	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18343	1.6
59.01357	7.1
61.98821	8.1
71.01350	1.7
71.52719	2.0
72.86906	2.0
79.38486	1.9
85.02948	2.2
88.11252	1.9
92.05051	7.9
96.95998	4.2
100.54981	1.9
103.04220	4.0
104.05037	7.0
118.02946	2.8
120.04551	3.1
122.06120	22.1
123.03192	2.6
125.34692	1.8
136.04044	5.1
136.07675	5.5
138.05580	18.2
140.07207	11.5
141.03514	1.9
146.85406	1.7
148.04037	4.0
154.06648	2.1
158.09682	2.9
166.05077	12.4
167.05841	2.8
168.06697	4.2
168.08119	2.8
169.08931	3.6
172.11281	7.7
184.11304	20.7
187.06337	3.5
188.07088	2.2
188.10719	3.0
201.07883	3.3
202.12395	10.1
205.12579	5.3
210.07858	2.4
211.05072	2.2
212.05775	5.7
214.08722	3.2
215.09384	7.2
216.06674	3.2
216.10349	11.5
216.12041	1.9
217.07411	34.8
218.07761	2.7
225.06573	4.9
226.07286	5.4
227.04764	2.1
227.08244	2.8
228.10373	1.9
229.83255	1.9
231.08969	14.6
237.06645	2.8
238.07220	1.8
241.09837	26.6
242.06871	3.8
242.10153	2.6
243.11372	3.4
246.11339	78.0
247.11531	5.6
253.09828	9.6
254.10017	1.9
255.07610	4.8
256.08304	2.6
257.12848	5.0
259.10779	18.6
269.98251	2.1
270.09998	2.7
271.10886	100.0
272.08853	3.4
272.11163	7.5
289.11877	19.6
297.08643	4.0
315.09952	10.7
333.10767	78.8
334.11108	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	331.2488
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.18766	0.7
51.84533	0.7
59.01369	1.6
59.22947	0.8
71.20557	0.9
71.52096	1.4
83.72863	0.8
126.81638	0.9
127.11260	1.5
136.13312	0.8
150.64424	0.9
199.54716	0.8
219.09808	0.9
267.19598	11.0
268.19885	1.5
299.22168	1.5
313.18030	1.8
313.23871	1.1
331.19305	4.6
331.24878	100.0
332.25201	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	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34035	1.3
59.01382	100.0
60.00295	1.2
61.98840	4.1
65.07112	1.4
69.55405	8.3
71.01393	7.1
72.23065	1.2
72.78156	1.2
73.02937	2.4
76.58601	1.4
85.02950	5.7
87.00883	1.3
87.50497	1.4
96.96009	4.9
97.94756	1.5
98.20630	2.6
98.95595	7.9
99.00853	2.0
101.02434	4.0
110.94962	1.4
113.02450	2.5
156.09140	1.2
161.04543	2.3
188.95097	1.7
196.25888	1.4
199.93753	1.3
249.14864	2.9
251.15486	1.6
289.16483	2.6
331.04166	1.8
331.10458	21.0
332.10641	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03450	1.0
58.00592	0.9
59.01389	2.5
61.98822	0.5
71.55378	0.5
96.96002	7.3
99.08162	0.5
125.09716	4.9
125.14920	0.4
126.10132	0.4
127.11298	7.3
137.09702	1.3
139.11275	1.1
155.10748	3.4
165.09233	3.0
171.10277	8.7
172.10501	0.5
183.10202	1.4
199.09767	1.9
201.11327	45.4
202.11670	2.1
211.13284	1.0
219.13907	0.6
235.96758	0.5
249.14908	1.9
263.20209	0.7
275.19931	1.1
293.21237	3.7
311.09720	0.5
311.22250	2.9
314.04150	0.7
327.21771	0.7
329.10648	12.1
329.23318	100.0
330.10867	0.9
330.23682	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	331.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47022	0.3
57.96417	0.2
63.02396	2.2
65.00323	8.8
69.22273	0.7
69.22691	1.6
83.01382	5.2
84.43216	0.3
85.06520	0.2
88.16920	0.2
92.68441	0.3
98.20451	1.1
107.01393	16.2
107.95242	0.3
108.01704	0.3
108.99301	0.3
111.03159	0.2
151.00368	100.0
152.00710	4.1
169.01410	0.5
178.99861	12.0
180.00179	0.5
183.02983	2.8
211.02477	46.9
212.02766	2.4
246.86465	0.3
251.16345	0.4
331.19153	1.1
332.19473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
50.44969	0.3
55.76157	0.4
57.03448	0.6
59.01361	1.0
68.64120	0.3
70.25773	1.4
71.01405	1.8
72.99299	0.6
83.01363	0.5
85.02957	3.1
92.38609	0.4
95.36114	0.4
101.02428	1.2
110.00101	6.7
113.02453	2.8
123.00898	0.5
124.01662	0.7
125.02456	6.2
126.02769	0.4
135.04527	0.4
136.01624	0.4
137.02483	0.7
137.99583	10.0
138.03290	0.6
139.00395	2.3
140.01166	0.9
151.00357	0.5
151.03998	0.9
152.01152	2.7
153.01935	100.0
154.02409	4.1
155.03514	2.4
161.02458	0.5
161.04521	1.3
166.02740	0.7
167.03496	12.1
168.04280	52.6
169.01427	1.3
169.05038	9.6
170.05426	0.4
179.03526	1.2
181.05064	0.5
191.03491	0.9
194.02263	0.5
209.04558	0.8
211.06038	0.7
241.21747	0.4
241.63708	0.4
242.06284	0.4
299.07858	0.9
302.90601	0.4
307.18665	0.4
331.06802	1.0
331.10306	6.6
332.10681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
56.42096	0.5
58.00598	0.7
59.01379	22.0
63.88247	0.5
73.02957	1.1
99.08138	1.4
111.08158	0.6
125.09744	3.1
127.07585	0.8
127.11295	5.6
128.11633	0.5
129.09227	4.9
130.09561	2.6
131.09677	2.1
139.11279	3.8
141.09206	1.6
142.09535	1.4
143.09764	1.0
145.59689	0.5
153.33636	0.6
155.10709	4.0
156.11101	2.9
157.11259	1.6
165.09218	1.1
171.10265	26.2
172.10583	3.9
173.10815	1.9
185.11784	5.4
185.12987	0.5
186.12158	5.6
187.12357	6.4
197.11823	3.0
198.12134	5.0
199.12292	4.7
201.11322	19.0
210.12219	0.9
211.12338	0.8
213.11189	0.6
259.32831	0.6
269.21069	1.2
275.20129	1.1
276.87335	0.5
287.22229	8.2
293.20505	4.4
308.67062	0.6
311.21417	9.4
314.04388	0.9
329.23160	100.0
330.23636	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	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03441	1.0
58.12047	0.5
59.01379	2.4
62.03531	0.4
69.03457	0.5
71.09185	0.8
80.92957	0.4
83.04997	0.8
97.06608	0.6
99.08157	6.8
111.75636	0.4
122.56129	0.4
125.09740	1.3
126.00815	0.5
127.11286	2.9
132.71400	0.4
137.09709	1.1
139.11276	4.9
147.60962	0.5
155.10770	0.7
155.14410	0.7
157.12398	0.6
165.12852	0.7
167.10960	0.6
167.14401	1.3
168.14629	0.6
171.10281	13.6
172.10699	0.9
183.13895	4.6
193.12344	2.0
197.11682	0.5
198.63576	0.5
199.13367	0.6
209.11876	1.5
211.13399	28.3
212.13655	2.4
227.03458	0.5
229.14430	17.1
230.14722	1.0
242.02242	0.6
243.03000	1.5
257.04550	0.6
259.15469	0.6
270.01746	0.6
271.02505	2.7
281.91803	0.5
285.03915	1.0
286.04681	0.5
293.21304	1.0
299.01956	1.4
311.22293	1.6
314.04364	3.0
329.06699	4.0
329.23315	100.0
330.06711	0.6
330.23642	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	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
58.00591	0.8
59.01379	3.4
66.35622	0.4
69.03490	0.4
70.35215	0.6
70.35598	0.7
74.28915	0.4
75.50137	0.5
79.05527	1.2
95.05016	0.4
95.19540	0.4
97.06642	0.6
99.08154	6.4
106.88869	0.4
113.09718	0.6
113.32729	0.5
115.07590	0.4
127.07657	1.3
129.09221	6.9
131.92625	0.4
151.94612	0.4
155.10849	0.4
167.10815	0.7
169.12338	3.8
181.12317	5.5
183.13895	1.8
186.61246	0.4
193.12273	1.2
197.11786	2.6
199.13400	19.1
200.13788	1.3
211.11487	0.9
211.13399	12.7
212.13782	0.6
227.12874	0.9
229.14401	1.9
267.17365	0.5
293.21243	3.1
294.21786	0.5
311.22498	2.4
329.23309	100.0
330.23697	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71932	1.0
55.01879	1.2
57.03439	2.3
59.01377	100.0
60.01710	0.8
61.98820	1.2
69.50798	5.6
71.01381	11.5
72.99319	0.9
73.02944	2.8
78.95914	1.3
79.95734	1.3
80.96469	1.0
83.01373	1.2
85.02945	11.5
87.00863	1.4
89.00350	0.8
89.02435	1.3
90.44743	0.9
91.01874	0.9
91.42048	0.9
93.03439	0.8
96.96001	7.2
99.00860	2.0
101.02439	8.0
107.05029	18.3
108.05373	1.7
113.02451	4.7
118.42416	0.8
121.02162	1.5
121.02958	15.2
122.03194	1.1
130.08731	1.3
147.02962	0.9
149.04529	1.1
153.05591	10.9
159.02962	2.0
161.04561	18.5
162.04932	1.2
167.03499	1.1
185.47508	0.8
191.01936	1.7
197.04532	31.0
198.04898	1.1
209.03008	1.4
249.52585	1.0
269.10229	1.0
285.08188	1.0
329.08929	7.7
329.12509	1.9
329.16055	1.4
330.20425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03438	1.0
57.50575	0.6
59.01379	100.0
60.01719	0.8
70.04214	0.6
71.01389	5.6
71.51638	1.0
73.02959	2.4
77.69586	0.7
79.95746	1.0
80.65593	0.6
85.02938	4.9
87.00878	1.0
96.96017	1.8
98.95595	1.8
100.45158	0.6
101.02441	3.5
109.02999	0.7
113.02476	2.2
123.04503	1.3
159.03044	0.7
160.04077	0.8
161.04550	4.5
162.05617	1.3
167.03543	2.3
182.99675	0.8
269.10297	5.1
270.10651	0.8
285.12744	0.9
290.35205	0.6
329.03592	0.8
329.07925	2.6
329.12247	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	329.1062
Annotation	4-Gingesulfonic acid
Peak:m/z	Relative Intensity
57.03446	0.5
59.01387	1.9
61.03339	0.3
61.98811	0.4
62.98251	0.3
71.52605	0.5
78.95917	0.3
79.95736	2.9
85.02975	0.5
95.95221	3.1
96.96010	90.0
123.04497	0.3
127.11300	0.5
139.11298	0.9
167.10741	1.8
171.10310	2.0
171.11632	0.4
187.14993	0.6
201.11189	0.4
211.13341	1.5
229.14430	0.8
231.13858	8.2
232.14215	0.7
249.14948	11.4
250.15227	0.9
260.10355	1.8
285.11722	1.9
286.00626	0.3
298.97867	0.4
299.01779	0.7
311.09576	2.8
314.04324	0.4
329.10617	100.0
329.23242	10.2
330.10968	9.5
330.23712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1064
Annotation	4-Gingesulfonic acid
Peak:m/z	Relative Intensity
54.92694	0.4
71.29278	0.6
79.95743	2.5
83.58199	0.4
88.30916	0.3
90.53316	0.3
95.95232	6.5
96.96013	48.3
97.02953	0.3
165.02249	0.6
175.14839	0.4
197.86775	0.4
203.14342	0.5
219.07033	1.0
219.13962	0.6
231.06982	3.1
249.14952	17.6
250.15289	1.4
285.11597	3.2
311.09592	2.1
329.10635	100.0
330.10965	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	329.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01387	1.9
61.03339	0.3
61.98811	0.4
62.98251	0.3
71.52605	0.5
78.95917	0.3
79.95736	2.9
85.02975	0.5
95.95221	3.1
96.96010	90.0
123.04497	0.3
127.11300	0.5
139.11298	0.9
167.10741	1.8
171.10310	2.0
171.11632	0.4
187.14993	0.6
201.11189	0.4
211.13341	1.5
229.14430	0.8
231.13858	8.2
232.14215	0.7
249.14948	11.4
250.15227	0.9
260.10355	1.8
285.11722	1.9
286.00626	0.3
298.97867	0.4
299.01779	0.7
311.09576	2.8
314.04324	0.4
329.10617	100.0
329.23242	10.2
330.10968	9.5
330.23712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01850	2.0
55.96030	1.8
59.01380	49.8
59.57130	1.7
67.01884	3.3
69.47716	11.8
71.01383	31.6
72.99301	4.0
76.35419	1.8
79.01875	1.8
81.03459	2.2
85.02948	21.9
87.00867	3.0
89.02444	22.5
93.03432	2.4
95.01399	6.5
99.53510	1.7
101.02432	16.0
108.02165	5.0
109.02981	3.0
109.06579	2.0
111.00898	2.9
113.02467	10.9
116.92823	2.5
119.03478	10.7
121.02965	2.1
123.00883	24.5
123.04544	10.6
124.01679	3.6
125.02455	3.4
127.00377	3.0
128.03590	3.1
129.01974	2.3
136.01665	2.1
136.98872	2.1
137.02444	9.3
138.03221	27.8
139.00400	3.1
143.04617	2.6
151.00380	2.2
151.04141	1.8
152.01184	10.7
153.01903	2.6
153.05544	26.3
154.05894	2.2
156.79825	1.7
165.01900	2.3
165.05530	1.8
166.02621	2.7
166.99930	8.2
167.03493	44.7
175.04034	1.7
181.05081	5.2
182.02216	29.3
191.01968	2.3
192.99658	3.0
194.02142	2.3
197.04543	100.0
198.04842	4.0
209.02925	2.9
209.04599	15.9
239.05498	2.4
269.06604	3.1
293.12460	26.5
294.12930	2.9
304.37741	2.0
329.08783	69.9
330.09116	6.8
347.85532	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	329.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03614	0.6
55.01877	2.2
57.03448	14.5
57.89068	0.5
59.01381	7.2
64.29170	0.6
65.08466	0.5
69.28471	1.1
69.28882	3.6
71.01389	5.7
72.99301	1.9
73.02970	0.9
75.00863	1.8
77.87969	0.6
80.79295	0.6
81.93156	0.6
83.01393	2.9
84.02161	2.1
85.02950	100.0
86.03305	2.6
87.92527	1.0
88.98807	1.9
89.02489	0.8
93.03476	3.3
96.96030	0.7
98.70142	0.6
99.00907	0.7
101.02444	1.5
103.00375	1.8
103.92060	0.8
105.83603	0.7
111.00869	3.3
115.00375	0.7
122.03740	4.7
123.04529	2.6
129.01935	8.9
131.65891	0.6
133.01448	1.0
137.02484	5.1
147.02991	14.9
148.03368	0.7
161.04596	0.9
166.12698	0.6
167.23637	0.6
173.00929	1.6
191.01968	21.0
192.02408	0.7
209.03017	29.2
210.03398	1.1
211.67053	0.6
256.00742	0.7
311.04214	0.9
313.34149	0.6
329.05267	3.0
338.25851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.01256	0.6
51.42338	0.7
52.36535	0.5
57.03446	0.8
59.01372	2.4
68.46839	0.6
71.01361	1.9
71.51107	1.1
72.99297	1.0
85.02937	3.4
85.21071	0.6
87.00853	0.6
108.02174	56.1
109.02480	1.1
113.02431	0.9
116.07172	1.9
123.00867	0.8
123.04527	22.0
129.10345	1.2
133.02960	1.1
135.64993	0.5
140.54295	0.6
147.03162	0.7
152.01147	39.3
153.01469	2.1
161.13483	0.5
167.03491	100.0
168.03809	4.2
173.09291	1.9
191.01999	1.0
256.12933	1.4
269.35251	0.7
306.20157	0.7
311.07663	0.7
314.04544	0.8
329.08890	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03446	0.7
58.99598	0.4
59.01384	3.4
59.73430	0.3
62.36506	0.4
65.00314	0.4
67.01891	0.5
69.03488	0.4
69.36029	0.3
71.01373	1.7
71.05033	0.4
72.99300	1.1
73.02948	1.5
75.00874	2.4
79.95731	0.4
81.03452	3.4
81.56171	0.3
83.01393	1.9
85.02937	2.0
85.65866	0.4
87.00877	0.4
87.04580	0.4
89.02442	0.4
91.01892	1.3
93.03463	0.4
95.01400	0.8
95.05035	1.1
96.96017	0.7
97.02980	0.6
98.19843	0.6
99.00903	0.4
99.04501	0.9
107.01376	0.5
108.02205	0.9
109.02957	0.4
111.23374	0.3
113.02453	0.7
121.03051	0.6
123.04522	36.8
124.04865	1.5
125.02454	3.4
135.04532	4.6
136.04912	0.4
136.95190	0.4
137.02444	1.2
137.06110	0.7
138.87825	0.3
139.04028	0.8
143.03503	1.1
145.02913	1.1
145.70244	0.4
149.02458	0.9
151.00369	1.3
151.03996	1.1
152.01114	1.1
161.04587	3.5
162.03258	0.6
163.03987	1.0
166.02769	0.5
167.03491	100.0
167.07144	3.6
168.03844	4.1
172.45612	0.3
175.00339	1.2
177.05507	0.9
179.03514	0.4
179.05618	2.1
181.05080	2.4
191.03496	19.2
192.03824	0.9
209.02890	0.5
209.04550	7.6
210.04915	0.6
221.04543	2.3
227.03799	0.4
285.07629	0.4
329.08875	7.1
329.12323	0.6
329.15579	0.4
330.08829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91593	0.7
55.01873	1.6
57.03448	11.6
59.01379	8.4
67.01835	0.8
70.65224	0.8
71.01385	7.7
71.50883	1.1
72.99303	2.8
73.02942	0.9
75.00889	4.0
77.88390	0.7
83.01374	4.0
84.02175	2.5
85.02953	100.0
86.03278	1.7
87.00877	2.6
88.98804	2.4
89.02451	1.6
93.03468	3.9
99.00854	0.9
101.02422	1.4
103.00372	1.1
108.02115	1.7
111.00885	6.0
115.00392	1.7
123.04525	0.8
129.01929	8.5
133.01486	1.7
137.02467	5.4
147.03014	11.2
165.44443	0.7
167.03497	1.4
173.00903	1.9
191.01988	24.0
209.03026	41.5
210.03456	1.6
236.99913	0.7
328.11548	0.7
329.05228	3.0
329.08911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74335	0.5
54.43691	0.5
57.03450	2.7
69.03450	1.7
71.00914	1.5
71.01374	1.0
83.04990	0.6
85.02947	9.4
95.05022	1.0
97.02943	1.1
97.06590	4.1
102.33051	0.7
102.88319	0.6
125.09718	1.2
127.11259	1.7
129.35710	0.6
137.09729	1.8
155.10771	0.7
155.14493	0.5
165.12944	1.2
171.10268	20.4
172.10596	0.8
177.12854	0.8
183.13895	4.6
185.11726	1.0
193.12312	0.8
197.11790	1.6
199.13364	0.7
201.11345	1.1
207.98788	0.6
209.11833	1.6
211.11488	1.1
211.13380	16.5
212.13737	2.2
221.11751	1.7
229.14435	11.0
239.12868	1.4
284.80728	0.6
291.19623	3.0
309.20795	1.3
327.21750	100.0
328.22012	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	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.23811	0.7
53.35485	0.7
57.03444	1.9
58.00585	2.0
59.01114	1.3
59.01381	14.9
61.98820	1.0
69.03449	2.8
71.01384	1.3
73.02950	1.3
83.05021	1.3
85.02958	0.9
87.04498	1.1
95.68336	0.8
96.36047	0.8
96.96005	3.6
97.06583	1.7
106.06611	2.3
109.06580	1.0
111.08131	3.9
114.16959	0.8
115.07640	1.4
119.08661	3.8
121.02930	1.9
125.09694	2.0
127.07687	1.3
127.11314	1.1
135.08102	1.4
137.09720	11.9
137.65117	0.9
153.12840	1.2
155.10805	1.8
160.36044	0.8
169.12312	3.5
171.10266	40.0
172.10574	2.9
181.12405	2.0
183.01053	0.9
185.11902	2.1
195.13860	1.0
197.09991	1.5
197.11816	25.9
198.12186	1.6
199.13373	3.0
201.11292	8.0
211.13387	3.1
213.11162	1.1
221.11739	0.9
227.12843	1.5
229.14531	1.6
239.11696	1.2
239.16479	7.0
241.17410	0.9
247.13326	0.8
291.19724	3.0
292.19547	0.9
309.20691	9.6
327.09094	2.7
327.21762	100.0
328.22125	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	329.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57927	0.7
59.01377	38.6
61.98821	2.6
66.08636	0.7
69.27833	0.8
70.69687	2.1
71.59059	0.7
87.00875	1.4
90.50294	0.8
113.84519	0.8
115.02516	2.0
117.00440	4.4
125.00919	1.4
126.54005	0.9
126.98846	1.9
132.29015	0.8
143.01988	4.0
147.53673	0.9
157.03426	0.9
159.01486	59.7
160.01604	4.8
168.99886	5.8
170.97812	3.8
187.00977	100.0
188.00676	10.2
201.00722	0.9
201.02541	15.3
202.02690	1.1
241.00504	2.9
259.01538	1.4
274.99326	1.6
287.01132	2.4
305.80594	0.9
311.01132	1.6
329.02109	4.6
329.06244	1.3
330.01901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2173
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.53973	1.6
52.76654	1.4
57.03460	2.4
58.00607	2.3
59.01381	9.7
61.98827	1.9
71.08958	3.6
83.05062	1.7
83.93934	1.6
97.06573	3.8
115.07651	32.6
116.92901	1.8
121.02962	1.9
129.09198	4.7
130.53851	1.6
135.85551	2.0
153.12863	13.9
155.10777	4.0
155.14395	4.5
171.10149	3.1
181.12309	1.8
183.01154	1.9
183.13876	5.3
185.11838	1.5
189.83260	1.6
192.84213	1.4
197.11827	20.3
199.13387	13.6
200.13921	1.4
209.11794	3.1
211.13307	5.5
215.12881	13.1
227.12880	27.8
228.13380	2.9
229.14430	100.0
230.14761	6.9
231.20934	1.4
265.21472	1.6
288.18875	1.7
288.92029	2.2
291.19501	5.4
299.22290	2.4
308.90646	1.7
309.20752	20.4
310.20700	2.1
327.16086	3.7
327.21848	25.6
328.21979	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.3
59.01383	2.6
60.80603	0.5
67.83385	0.6
69.03483	0.6
71.01384	0.6
71.05027	2.6
73.02946	0.6
79.43851	0.5
81.73399	0.5
83.05016	0.6
85.02954	1.1
97.06655	0.5
99.04513	0.7
107.08665	1.6
107.38666	0.6
107.64999	0.5
111.08156	1.0
119.08634	0.8
119.46507	0.6
125.09711	2.7
127.11286	4.1
137.09717	0.9
139.07625	1.5
141.08130	0.5
155.10767	1.9
155.14304	0.6
165.09184	1.5
169.12360	3.1
171.10263	8.4
181.12294	3.7
183.10219	0.8
183.13814	0.7
197.11815	2.2
199.09738	1.7
199.13393	8.2
201.11319	33.4
202.11589	1.4
209.11865	0.5
211.13399	1.6
229.14391	1.1
233.15732	0.8
261.18625	0.6
273.18646	1.4
291.19629	2.9
297.20569	1.2
309.20752	3.9
327.21753	100.0
328.22083	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80827	0.5
57.03440	2.1
58.41544	0.5
69.03452	2.1
71.01360	0.7
71.28563	0.8
71.51883	0.5
81.10126	0.5
83.05018	0.7
85.02952	7.7
94.88018	0.6
95.05042	0.7
97.02960	1.3
97.06581	4.9
110.03703	0.9
123.08172	0.6
125.09722	1.7
127.11284	2.3
137.09734	2.8
155.10811	1.1
165.12808	0.7
167.10748	0.5
167.14368	1.0
171.10263	21.6
172.10565	0.8
177.12831	1.3
183.13893	5.4
185.11865	1.6
193.12242	1.3
197.11757	0.5
197.93620	0.7
209.11806	2.0
211.13391	23.6
212.13777	1.4
221.11823	3.7
229.14438	14.6
230.14842	0.9
239.12903	2.1
261.28595	0.5
291.19644	3.2
292.19876	0.7
309.20825	0.8
327.21768	100.0
328.22086	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.64571	1.0
57.58653	0.8
59.01381	5.3
61.98814	1.0
67.69823	0.9
69.03442	1.5
71.01392	1.4
71.05010	0.9
71.12139	0.9
71.52050	1.5
71.52745	1.1
73.02945	2.6
97.06569	1.0
99.08147	1.9
115.07675	1.6
121.02945	1.0
125.09713	1.6
127.07664	5.1
129.09216	29.1
141.09232	9.1
141.12845	1.7
155.10750	1.4
162.98796	0.9
171.10234	2.1
185.11816	44.3
186.12096	2.4
197.11819	32.7
198.12163	1.3
209.11772	6.0
229.14444	1.2
248.54601	0.9
267.63840	1.0
274.49652	1.1
291.19720	7.4
309.20795	12.7
310.21030	1.3
311.15616	1.0
327.21762	100.0
328.22012	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	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.76312	0.6
58.00596	1.7
59.01376	3.8
70.37327	2.4
71.01392	0.9
83.05032	0.9
97.06598	1.9
109.06602	1.0
111.08166	8.5
124.35382	0.6
127.07693	0.9
145.31729	0.6
151.61284	0.6
153.12827	1.6
169.12346	5.0
171.10262	0.9
181.12323	1.9
183.13844	0.8
185.11864	1.7
193.12479	0.7
197.11824	41.5
198.12141	2.6
199.13385	7.4
209.12006	0.9
211.13487	5.7
221.11833	1.0
229.14401	1.1
239.16608	1.3
291.19653	3.6
309.20566	3.1
327.21765	100.0
328.22110	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	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.10242	0.8
54.62818	0.8
57.03446	1.1
69.03477	0.9
71.04993	1.5
72.65999	0.7
73.02942	2.2
77.62534	0.9
93.89388	0.7
97.06612	1.8
98.03737	0.9
99.08167	2.6
112.05279	0.9
113.09695	0.9
115.07632	2.5
125.09712	1.6
127.07663	3.6
127.11240	1.1
129.09225	31.5
141.09219	10.4
141.12889	1.3
155.10788	20.0
156.11043	1.0
171.10269	17.3
185.11827	43.7
186.12160	2.1
197.11832	35.1
198.12242	2.0
198.46558	0.8
206.14531	0.8
209.11867	5.9
291.19632	13.1
292.20111	2.3
299.37778	0.8
302.88654	0.8
309.20715	28.1
310.21054	3.4
327.21765	100.0
328.22098	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
58.00594	1.2
59.01383	5.4
62.13220	0.5
67.49466	0.6
68.73628	0.5
69.03443	0.7
71.01379	3.0
79.88712	0.5
81.03500	0.6
83.00200	0.5
83.05008	0.8
97.06587	1.7
110.03703	1.0
111.08154	7.1
121.02962	1.0
123.08160	0.6
125.09718	1.2
125.84379	0.7
127.07608	0.9
153.12926	0.6
155.10808	0.7
169.12369	3.1
171.10298	1.1
177.12804	1.2
185.11816	9.8
195.14110	0.6
197.11823	30.2
198.12172	1.9
199.13380	2.5
203.10814	0.7
209.11862	4.2
209.15446	1.7
211.13385	1.9
221.11847	4.0
223.16994	0.7
227.12907	0.9
233.15521	0.6
239.12772	3.6
239.65921	0.6
251.16501	3.3
263.20145	0.6
291.19574	4.3
309.20612	5.7
327.21765	100.0
328.22110	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	5.0
59.01370	13.4
61.98814	3.3
71.01393	3.3
71.52377	4.1
87.49068	3.1
97.06605	4.3
99.92613	4.2
115.07662	86.7
121.02960	11.3
123.48097	3.3
129.09206	10.6
153.12860	37.7
153.31700	4.0
155.10767	10.8
165.12828	6.2
171.10268	11.8
183.13831	6.9
185.11804	4.5
197.11821	58.5
199.13327	30.3
209.11743	5.6
211.13390	7.1
212.79352	3.4
215.12894	32.9
227.12886	100.0
227.15143	5.6
229.14438	60.0
230.14836	4.8
251.16602	4.2
265.21536	4.5
291.19635	11.7
299.22330	10.9
309.20776	39.4
327.16153	7.1
327.21906	48.5
328.21951	4.1
344.79535	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	327.1085
Annotation	Paeonoside
Peak:m/z	Relative Intensity
53.48933	0.5
59.01379	17.2
61.98810	0.4
65.26325	0.5
66.95074	0.5
71.01387	2.7
71.50798	0.5
72.99313	1.0
73.02933	0.9
73.34389	0.5
73.77822	0.5
75.00877	1.1
79.95735	0.6
80.96572	0.5
83.01395	0.9
85.02952	5.4
87.00877	1.3
93.03465	6.7
95.05011	0.6
96.96026	0.8
97.02953	0.6
101.02454	1.3
105.01976	0.6
109.02932	1.2
111.00908	0.8
113.02447	0.9
119.05001	1.0
121.02931	2.3
121.06593	7.3
123.04508	1.2
125.02451	1.2
129.01965	1.4
135.04489	2.3
135.70105	0.5
137.02448	1.5
139.28529	0.5
147.03017	1.0
147.04504	0.7
149.02417	0.8
151.03876	0.7
161.04672	0.7
161.06078	0.6
165.05563	100.0
166.05908	5.7
179.03447	0.8
191.76164	0.6
197.04543	0.7
203.07198	0.8
207.02992	0.8
245.08183	1.3
281.16431	0.5
283.11917	0.5
289.07196	5.4
326.88138	1.4
327.07639	0.5
327.10950	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	327.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
59.01378	100.0
60.01722	0.8
61.98835	1.1
71.01397	1.1
71.22482	1.3
85.02964	2.1
93.03500	0.8
101.02427	0.9
107.05010	0.7
115.78535	0.7
119.05021	0.7
120.01256	0.6
121.02956	1.8
129.53746	0.6
135.04544	1.9
137.09755	1.2
165.09169	1.6
176.08415	2.2
191.10770	12.7
192.11160	0.9
221.51576	0.7
237.15118	0.9
238.06346	0.8
239.07043	0.7
249.14995	1.1
267.06754	1.2
267.16187	1.7
284.03079	0.8
312.10086	3.1
327.05222	2.2
327.12100	4.2
327.18207	0.8
327.21979	1.0
328.12543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
59.01378	100.0
61.98829	4.2
62.56177	1.3
71.01385	3.3
71.52689	1.6
80.96533	1.4
85.02930	2.2
101.51545	1.3
107.05093	1.4
107.06980	1.4
116.07178	1.4
121.02951	4.6
126.90540	2.6
135.04521	3.2
136.76364	1.4
176.08458	1.7
191.10762	14.4
267.15936	2.9
283.15274	1.5
327.04736	1.4
327.09036	1.9
327.14316	5.9
327.18057	2.6
327.21835	2.3
327.25491	1.5
328.18668	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	326.9428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79335	0.7
57.03443	4.2
57.21212	0.7
58.82786	0.9
59.01374	1.1
62.34321	0.7
67.01878	1.3
70.61761	0.9
70.62088	1.8
71.01375	3.0
75.00864	2.4
77.30643	0.7
78.95894	2.6
85.02950	21.4
87.00876	35.9
93.03465	1.5
96.96004	2.7
99.00844	0.8
101.83069	0.8
103.00376	1.3
103.92040	2.0
111.00881	100.0
112.01207	2.9
112.98711	0.9
129.01952	6.4
130.99867	1.0
135.02994	2.0
142.45309	0.8
146.98792	1.4
147.02959	1.5
154.99863	0.9
165.04085	1.3
173.00870	5.2
191.01968	92.9
192.02278	3.7
202.58307	0.8
306.67386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.3
59.01380	14.8
70.25595	7.0
71.01380	83.3
72.99304	29.0
85.02944	63.2
86.03247	2.6
87.00866	29.7
89.02442	5.7
93.03462	4.4
96.52702	2.4
96.96014	3.4
111.00953	3.0
115.00377	24.4
121.02955	2.8
129.01942	9.2
135.04485	3.1
147.02991	100.0
148.03307	3.4
159.04524	7.2
159.08458	3.0
163.04028	4.6
165.04005	3.7
177.05586	4.4
207.06606	4.7
297.06137	4.5
301.04916	2.7
327.07080	21.6
339.96381	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87725	0.8
57.03443	0.8
59.01365	1.8
71.05040	0.9
73.02934	1.1
79.73766	0.7
80.02683	2.0
81.03443	2.2
83.05032	6.6
84.02175	1.2
84.05348	1.1
88.76501	0.7
95.05044	1.6
97.02993	0.7
97.06583	1.8
98.19887	2.7
107.05035	2.1
108.05379	1.1
109.06621	1.2
115.07654	7.5
125.06106	1.9
125.09673	3.8
126.10069	1.1
127.07613	1.5
127.11273	1.0
129.09155	1.2
135.08147	1.4
137.09700	1.7
151.11290	0.8
153.09171	2.3
154.09612	1.5
155.09766	0.8
155.10797	5.8
163.11281	7.8
164.11597	1.3
165.12924	4.1
171.10220	1.0
176.08345	0.8
178.10046	5.7
179.10463	0.9
180.11092	0.9
181.12408	1.2
185.11787	1.3
191.10696	3.0
197.11844	5.9
198.12079	1.3
199.12395	0.9
199.47676	0.8
207.10274	1.8
209.11826	83.7
210.12155	13.8
211.12383	13.7
225.11278	1.0
226.11412	1.6
236.10568	1.1
245.18967	1.0
253.18089	1.9
263.19489	1.3
265.17899	1.1
279.19412	2.2
281.20840	1.2
289.17801	5.3
305.17346	2.2
307.19055	100.0
308.19501	9.9
325.15067	0.7
325.15686	0.9
325.20132	16.4
326.20523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
54.11909	0.6
58.13529	0.5
61.98849	0.6
64.05573	0.5
69.52188	4.1
79.95740	1.1
104.87701	0.5
119.05063	0.7
149.09720	92.4
150.10068	4.9
163.11285	100.0
164.11613	6.4
170.00441	0.9
183.01204	40.9
184.01953	5.2
191.22202	0.6
197.02747	2.2
216.00980	2.8
225.05956	0.7
239.07385	0.8
261.22070	0.9
325.18307	84.4
325.21716	96.9
326.18631	9.5
326.22073	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46336	1.2
59.01375	4.5
63.82401	1.2
71.01329	1.2
73.13869	1.3
89.46270	1.4
96.40922	1.2
101.02418	1.3
120.57983	1.4
125.09702	3.7
136.78358	1.3
163.11275	4.8
167.10751	3.0
181.12413	2.0
183.01216	5.7
197.11821	6.5
203.43355	1.2
257.45963	1.3
261.18570	1.6
293.21350	7.0
307.19363	2.4
307.22501	1.9
308.73810	1.6
309.20721	1.7
310.21478	5.6
325.15002	3.1
325.18106	8.2
325.23822	100.0
326.24109	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.24342	0.7
57.03427	1.5
69.95150	3.1
80.02688	2.6
81.03448	2.1
83.05032	7.4
84.02148	1.4
89.37222	0.7
97.06586	2.1
115.07653	7.3
125.06084	0.9
125.09691	1.7
127.07671	1.1
127.11259	1.0
129.09219	1.0
133.05396	0.7
135.04492	0.9
135.08128	1.4
137.09749	1.3
142.02821	0.7
155.10742	7.1
156.11017	0.9
163.11320	6.0
165.12852	3.0
178.09978	5.3
179.41417	0.7
181.01469	0.8
181.12321	0.9
191.10722	2.5
206.51941	0.8
207.10213	2.5
209.11818	88.5
210.12123	6.4
225.11406	0.7
234.61040	0.7
236.10561	1.1
245.19011	0.9
263.20193	1.7
279.19562	1.4
281.20987	1.4
289.18213	3.5
307.19144	100.0
308.19461	10.0
325.20126	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88758	10.0
53.33812	10.6
57.03442	10.0
59.01360	44.4
63.20980	11.2
69.79848	49.6
71.01382	18.4
77.71731	9.9
78.95892	46.5
80.02727	11.3
83.05013	19.3
89.43806	10.7
93.03451	14.1
95.05032	11.3
96.96992	15.2
97.06581	40.8
125.09731	25.9
151.11295	26.9
155.10814	17.7
163.11353	19.9
165.12823	21.3
167.10785	23.5
179.10777	15.7
181.12321	37.4
183.01228	24.0
197.11803	26.0
209.11836	100.0
230.52379	11.1
247.85356	12.3
255.23209	21.3
293.21109	24.0
307.19128	92.8
325.18533	38.3
325.23566	39.0
326.18420	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03442	1.3
58.00594	0.9
59.01381	1.8
70.26395	2.0
71.01379	5.4
71.05009	1.6
72.02155	1.2
73.02969	1.4
80.02686	1.0
81.03442	1.4
83.05028	4.9
84.02164	3.8
85.02953	0.9
86.12576	0.6
90.45364	0.6
91.00890	0.5
95.05050	1.6
97.06568	3.0
99.04524	1.9
99.08147	3.9
106.04227	0.7
109.06584	1.8
111.08166	1.4
112.05289	1.6
115.07619	2.9
123.08092	0.7
125.06091	0.9
125.09717	6.1
127.07658	15.1
135.08188	1.9
137.09758	1.1
139.07668	3.7
153.09221	14.8
155.10796	4.0
163.11290	4.2
163.15347	0.6
164.11780	0.7
165.12798	2.0
171.10266	17.4
172.10640	0.7
178.09985	2.7
179.10638	0.7
181.12346	1.0
185.11835	16.0
191.10809	1.4
191.14386	1.4
197.11832	16.8
198.12189	0.6
207.10352	0.9
209.11821	75.0
210.12154	5.6
211.13396	0.7
225.11342	0.8
227.12927	1.6
236.10596	1.1
238.12076	7.0
239.16426	0.8
245.19061	2.4
253.10686	0.6
253.18152	1.0
256.13034	3.4
263.20151	1.1
265.18115	1.1
279.19748	1.8
281.21225	1.1
284.92072	0.6
289.18121	9.5
290.18298	1.1
297.20764	1.0
307.19144	100.0
308.19504	11.2
325.20172	47.0
325.24139	1.4
326.20422	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
59.01374	3.0
70.71077	2.0
71.01377	3.4
80.02670	2.4
81.03434	1.2
83.05007	5.9
84.02170	4.8
87.46148	0.8
89.91544	0.8
95.05016	1.7
97.06584	2.9
99.08147	1.8
101.02424	1.3
109.06577	3.8
112.34338	0.9
115.07661	1.8
125.05988	1.2
125.09686	2.3
127.07677	10.2
139.07668	1.6
141.20363	1.0
155.10745	1.5
163.11266	6.0
165.12868	4.7
171.00826	1.0
171.10217	1.6
178.09978	2.0
180.30360	0.8
185.11809	11.5
191.10710	2.2
197.11821	15.0
198.12167	0.8
209.11809	100.0
210.12196	6.0
211.13405	1.9
227.12892	7.5
229.14320	1.0
238.12062	3.4
245.19064	1.9
256.13086	1.5
263.19934	1.2
289.18097	5.7
307.19125	57.9
308.19437	5.3
325.11285	1.2
325.20160	30.5
326.20438	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05335	2.6
70.05726	2.6
71.01383	7.3
71.05016	1.3
73.02938	1.4
80.02654	1.4
81.03474	2.2
83.05025	6.0
84.02164	4.8
94.69248	1.1
95.05006	2.3
97.06582	3.6
98.20009	1.7
99.04540	1.3
99.08172	3.1
109.06602	1.3
111.08167	2.1
112.05299	1.7
115.07638	3.5
122.03735	1.5
125.09718	6.8
125.55323	1.4
127.07650	17.9
135.08160	2.2
139.07646	4.5
153.09216	11.8
155.10767	3.7
163.11255	3.5
165.12854	1.6
171.10245	13.0
178.10019	2.3
178.91130	1.0
181.12366	1.3
185.11813	18.7
197.11812	21.0
198.12093	1.2
207.10313	2.1
209.11815	71.9
210.12106	6.2
236.10405	1.9
238.12111	7.3
245.19150	3.5
253.17964	2.3
256.13113	3.4
271.16644	1.2
289.18036	11.0
290.18405	2.1
307.19131	100.0
308.19623	9.7
325.20181	43.1
326.20599	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
57.37733	0.6
58.00574	1.1
59.01360	0.9
59.47022	0.6
68.79638	0.7
69.03447	1.0
69.17889	6.8
71.01388	5.2
71.05017	1.1
72.02155	1.4
73.02943	0.9
80.02678	0.8
83.05023	4.0
84.02179	3.8
95.05021	1.4
97.06567	2.0
98.19987	2.6
98.20692	1.3
99.08154	3.6
108.91308	0.8
109.06587	1.3
111.08133	1.3
115.07626	2.8
125.09696	3.2
127.07656	16.7
135.08180	0.9
137.09689	1.9
139.07648	3.7
153.09181	0.7
153.12811	0.8
155.10783	3.9
163.11282	3.3
165.12796	2.3
169.57361	0.8
171.10181	0.8
178.09959	3.1
179.10693	0.8
181.12247	0.9
185.11824	19.0
186.12268	0.8
191.10727	1.9
197.11826	18.8
198.12189	1.1
199.13396	1.1
207.10246	1.4
209.11829	71.7
210.12115	3.8
213.11223	0.7
227.12910	3.0
229.14203	0.7
236.10648	1.4
236.92310	0.7
238.12091	7.7
239.16580	1.3
245.19026	1.7
251.16615	1.3
253.18140	1.8
256.13062	3.2
263.20233	0.7
265.17993	0.8
279.19714	1.1
281.20999	0.7
289.18097	7.5
307.19138	100.0
308.19479	9.7
308.68185	0.7
325.20193	46.5
326.20514	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
56.41051	0.3
57.03435	0.5
59.01379	6.7
69.45392	1.7
71.01376	3.3
72.96452	0.3
72.99309	0.9
73.02946	0.3
78.95911	0.5
79.38490	0.3
79.95778	0.3
85.02940	2.3
87.00873	1.0
89.02446	2.3
93.03429	0.4
96.96017	0.9
99.00851	0.4
100.00397	0.3
101.02428	2.4
101.26178	0.3
103.00345	0.8
108.11081	0.3
108.64890	0.3
113.02453	1.5
117.03462	19.5
118.03799	1.0
119.03593	0.6
119.05025	5.4
121.02937	1.0
130.99895	0.4
131.03470	0.3
133.06558	0.7
134.03738	2.1
134.04723	0.7
135.04520	1.2
144.02951	0.4
145.02953	100.0
146.03297	4.8
149.00923	0.3
149.03485	0.4
149.06039	0.4
153.05548	0.3
159.04480	0.8
161.02357	0.6
161.06052	1.3
163.02547	1.0
163.03990	10.2
164.04280	0.6
171.81775	0.3
178.02690	0.6
179.02023	0.4
179.03505	1.5
187.04002	4.0
188.04288	0.3
193.05017	3.1
194.05566	0.4
197.04524	0.6
205.05029	1.4
206.01408	1.1
209.04683	0.3
233.04446	0.4
235.06195	0.6
265.07129	1.6
269.38821	0.3
295.29269	0.3
325.09305	6.5
325.12909	0.7
326.09525	0.7
342.06662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
53.33274	0.3
59.01388	0.5
65.50536	0.3
69.25169	0.3
71.50790	0.5
77.36935	0.3
82.20608	0.3
85.02926	0.6
93.03445	0.5
101.02415	0.6
109.02939	0.7
117.03478	0.7
119.05026	100.0
120.05359	4.5
123.04524	0.6
145.02954	3.4
147.04471	0.3
163.04007	79.5
164.04353	4.4
182.59154	0.3
205.05023	0.5
219.83978	0.4
239.35225	0.4
245.08313	0.5
289.07230	2.6
325.09256	1.0
325.13446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02447	0.9
52.49727	0.7
55.01890	0.8
57.03449	0.7
59.01379	100.0
60.01728	1.0
61.98832	0.9
65.15723	0.6
70.09479	2.3
71.01379	10.1
72.99305	11.4
73.02940	6.9
74.99118	0.9
78.95916	2.4
80.96503	1.0
83.01401	3.1
85.02941	4.6
87.00882	1.0
89.02448	4.0
96.96031	2.1
99.00919	2.9
101.02438	19.6
109.02935	0.8
111.02028	0.7
113.02462	2.8
119.03555	1.7
119.05061	1.7
123.04590	0.7
123.36472	0.8
127.00459	0.7
133.02980	1.6
134.04733	10.9
135.04535	4.1
137.02385	0.7
145.01476	2.9
147.04472	0.7
148.83157	0.7
156.46526	0.7
161.02391	1.3
161.04561	5.0
163.02489	16.8
163.03876	1.5
175.04095	0.7
179.03545	1.6
206.99127	0.8
209.71445	0.9
217.05130	1.1
230.02748	0.7
245.04593	2.1
260.63770	0.7
265.12888	11.3
325.05679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14546	5.1
57.03442	6.6
59.01389	30.1
59.26361	5.9
60.99277	5.9
69.29549	6.3
70.01999	17.7
71.01384	33.5
72.99301	21.5
74.96166	7.0
74.98696	6.7
78.95895	26.0
85.02956	40.6
87.00880	42.7
87.92502	7.7
88.98806	38.9
89.02438	8.2
92.92799	29.1
96.95978	37.3
98.20605	6.3
100.04048	7.7
101.02419	6.4
103.00341	10.7
104.95160	12.1
108.90192	14.0
111.00867	19.6
113.02442	44.3
115.00382	48.3
118.94193	7.4
125.87318	28.8
126.90531	10.5
127.00127	17.1
132.03014	8.7
133.01419	100.0
145.06128	9.7
146.04579	6.3
148.98277	38.4
157.86282	32.7
162.99931	7.5
168.02734	14.9
175.02376	13.6
181.07140	9.4
184.00116	5.6
191.01903	15.9
192.97314	7.3
213.00159	9.4
234.98322	87.6
250.83440	8.9
267.07056	11.0
268.87430	16.3
288.95416	9.2
325.07654	5.8
325.11270	14.3
325.93240	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	325.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79609	1.2
55.01869	3.8
59.01379	44.2
68.99802	1.5
71.01382	30.2
71.46835	1.2
71.50251	1.1
71.50657	1.5
72.99310	49.1
73.02945	34.3
73.99642	1.8
74.96400	1.2
74.99058	1.3
75.00842	1.6
78.95888	3.0
83.01378	15.3
85.02945	4.4
87.00889	2.5
89.02454	9.2
97.56454	1.4
99.00882	9.7
101.02439	100.0
102.02792	2.4
109.02953	4.3
117.01868	1.3
119.03505	5.8
121.02957	2.3
127.00348	2.5
133.02917	3.7
134.03708	4.1
134.04715	3.3
135.04517	19.1
137.02422	3.6
139.04117	1.2
145.01424	17.8
151.03922	1.8
161.02408	3.2
161.04546	2.4
161.06001	2.1
162.08563	1.2
163.02480	91.6
164.02831	2.8
173.17766	1.4
175.03990	2.2
178.02687	4.6
179.03473	8.3
189.05522	3.9
201.05498	2.1
203.03448	2.6
217.05095	2.0
233.04570	5.8
245.04556	8.9
265.12955	6.1
325.05554	2.6
325.13828	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56310	1.3
53.92371	1.0
59.01371	5.3
69.92036	2.5
69.92446	3.0
71.01369	4.3
72.99318	1.8
73.02940	3.0
83.01377	3.3
85.02924	2.3
87.00876	7.5
89.02414	1.1
90.32590	1.2
96.95998	2.7
99.00870	19.1
101.02425	2.3
109.02946	3.2
119.04979	1.1
123.00888	1.2
125.02386	1.8
127.00385	8.1
132.02202	1.3
133.02956	26.6
134.03703	3.7
134.04677	1.4
135.03502	2.4
135.04532	47.6
136.04834	1.3
137.02417	5.6
145.01434	2.8
145.02972	1.8
147.03368	1.1
147.04520	2.4
149.06062	3.6
160.76454	1.1
161.02438	100.0
162.02769	5.6
163.02605	2.0
163.03992	6.9
173.02434	2.6
174.03113	1.4
175.03954	5.0
177.01894	1.3
179.03510	28.4
189.05544	2.2
191.03468	4.6
201.05519	2.6
203.03471	1.4
212.67682	1.1
217.05058	1.9
219.02960	24.5
220.03511	1.9
237.70348	1.1
245.04449	4.9
247.02513	5.3
248.02707	1.4
289.03439	2.6
307.04572	51.9
308.04865	4.0
325.09274	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	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.65062	2.2
59.01377	11.6
61.98826	2.3
63.77719	1.9
70.65880	2.1
70.66196	4.2
71.01383	6.0
75.75126	2.2
80.61777	2.0
83.05048	2.4
84.02168	2.9
95.05005	4.3
97.06611	15.0
111.08158	3.8
124.05304	5.8
125.06086	73.4
126.06902	17.4
127.07627	2.1
138.06873	6.4
158.05846	2.1
165.12825	7.0
177.12773	2.2
181.12268	2.4
193.12253	4.2
197.15530	2.8
209.11853	5.2
221.11766	3.9
225.14832	4.9
247.20880	2.7
252.13684	8.4
253.14468	34.5
254.15224	41.4
255.15576	5.0
273.18622	5.2
286.14270	6.6
291.19727	21.5
305.17862	4.4
305.21185	21.6
306.21585	3.2
323.18860	5.2
323.22260	100.0
324.22748	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17504	1.3
54.91650	1.2
55.77167	1.4
57.03460	2.6
57.29762	1.3
58.34860	1.3
59.01377	5.6
61.98820	3.7
63.61294	1.4
70.17693	4.8
71.01383	1.4
81.02863	1.3
83.05016	2.4
90.81480	1.4
97.06570	1.5
98.20676	1.3
109.06570	3.9
111.08161	6.1
121.06658	1.7
151.11264	6.4
153.12810	1.6
169.12318	5.9
179.10828	2.0
181.12332	8.7
187.36278	1.4
193.12294	2.8
197.11832	67.4
198.12221	3.7
209.11809	3.9
212.14194	3.0
213.14952	14.1
220.14682	3.8
221.15372	1.7
225.14908	4.5
239.13116	1.5
241.14409	4.4
244.13211	4.7
253.14471	2.2
263.20197	3.7
273.18604	9.5
291.19690	25.1
292.19897	1.6
305.17828	2.3
305.21127	10.3
323.22263	100.0
324.22571	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	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.28876	1.2
57.03447	6.6
59.01376	3.6
59.97085	1.1
66.19652	1.2
69.03467	6.8
69.91974	5.8
71.05009	3.7
81.03459	4.8
83.01389	3.7
84.02171	1.6
95.01377	2.9
95.05000	5.7
96.02178	2.6
97.02945	15.4
97.06592	10.9
106.04224	1.5
107.05030	1.5
109.06600	2.1
110.03728	2.9
111.00883	2.0
111.08155	3.6
123.04513	6.5
123.08165	12.7
125.09730	71.1
126.10006	2.7
127.07669	5.4
135.08157	2.1
136.05309	2.1
137.09712	5.0
142.02725	2.9
149.09702	1.3
152.49519	1.3
163.11293	68.9
164.11613	2.1
165.09207	31.6
165.12779	1.8
166.09875	5.5
167.10771	2.6
171.10211	1.7
179.10797	3.7
179.14333	2.3
181.12337	34.8
186.09190	1.3
189.12825	1.3
191.10762	1.8
197.11893	2.2
205.12349	1.8
207.10252	20.3
209.11903	3.5
221.11780	1.9
223.13393	7.1
235.13358	2.0
237.14879	2.7
239.12883	21.8
240.13591	5.3
240.39261	1.6
247.20631	7.0
255.15962	3.1
263.20264	1.9
273.18591	10.6
274.18939	1.7
291.19659	81.8
292.19971	7.8
305.17575	3.4
305.21130	19.7
306.21457	2.2
308.19864	1.6
323.22263	100.0
324.22641	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29832	0.7
52.65124	0.7
70.81158	1.2
84.10417	0.6
97.02943	1.2
111.21563	0.7
123.08143	1.0
125.09728	4.8
127.07614	1.6
148.69147	0.7
159.12276	0.7
163.11293	3.1
165.09186	2.5
177.12758	0.8
179.10852	1.0
181.12332	1.9
197.11807	4.7
204.30185	0.7
221.11832	3.6
239.12804	3.9
248.48230	0.7
291.19626	9.9
292.19949	1.2
305.21365	1.1
307.19238	1.3
308.19943	6.6
323.22263	100.0
324.22662	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	323.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01379	100.0
59.86475	0.3
60.01734	0.6
61.98835	1.7
69.35577	0.8
69.35983	2.2
71.01392	2.6
73.02966	0.9
78.95889	0.4
85.02970	1.9
87.00891	0.6
92.71622	0.4
96.96030	1.3
98.20342	1.8
99.00876	0.7
101.02452	2.4
109.36478	0.4
113.02454	1.1
126.90532	0.6
133.03091	0.5
143.03534	0.5
158.04724	0.4
160.95682	0.8
161.02412	0.9
161.04518	1.0
163.52243	0.4
185.34508	0.4
191.14325	0.5
195.08472	0.8
211.07352	0.4
235.13805	0.5
263.15002	4.1
279.12506	0.5
323.08392	0.5
323.11627	1.7
323.15085	1.2
329.82867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91989	5.8
56.57091	5.3
59.01362	28.3
62.30946	5.5
65.03980	7.7
69.95676	15.9
71.05022	100.0
81.03441	12.2
83.05013	9.4
93.03457	6.1
95.05030	60.4
95.25407	5.9
98.19991	10.7
98.20531	8.8
106.04264	10.4
106.45824	4.6
107.05023	8.5
109.06599	44.4
113.23713	4.9
121.06599	9.4
127.07593	5.9
130.65224	5.4
147.04590	6.9
149.09737	7.8
150.06873	5.7
152.84535	5.4
161.06117	6.6
165.09189	26.4
189.12839	43.8
205.15984	15.4
209.11795	7.5
215.10765	7.8
233.11780	7.9
237.14923	12.0
243.17482	24.4
249.14975	32.4
287.16537	59.8
288.16766	6.9
295.92993	4.9
305.17581	37.6
323.18750	8.0
323.22324	9.0
343.63626	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.14150	0.8
51.51767	0.8
59.01376	1.4
69.61986	4.5
69.62386	1.5
71.05005	1.4
80.02675	1.7
81.03471	2.7
83.05028	8.2
84.02155	2.3
95.05011	2.0
97.02949	1.5
97.06594	3.2
107.05035	12.9
109.06582	2.6
110.03741	2.3
113.06108	1.2
121.02974	1.7
123.04543	1.8
123.08147	1.4
125.02456	2.2
125.06039	4.1
125.09708	7.4
135.08168	6.9
140.14265	0.9
153.09219	12.9
155.89574	0.8
163.11290	10.7
165.12822	2.7
168.99750	0.9
176.08394	2.8
178.10017	2.5
181.12212	1.9
185.11835	3.3
191.10818	1.3
197.11841	11.4
207.10225	7.3
209.11823	100.0
210.12154	6.3
225.11292	7.8
236.10559	2.7
237.11060	0.7
243.17548	1.8
245.15379	1.5
253.10786	1.1
254.11473	2.4
261.18506	6.3
263.16580	1.7
269.15939	1.2
277.18015	2.1
279.19568	4.2
287.16550	7.2
305.17572	95.4
306.17926	9.6
323.18610	15.3
324.18848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.82368	6.0
53.24123	5.3
59.01380	30.6
59.16602	6.0
61.85863	6.1
61.98829	12.6
73.05337	5.4
80.26273	5.2
81.24770	6.3
97.06567	16.8
98.19894	20.1
98.75710	6.5
100.09206	6.4
120.17587	5.9
124.05308	6.5
125.06084	75.6
126.06867	6.2
140.58713	5.8
165.12862	7.4
215.79742	7.4
225.14940	6.6
229.03380	7.3
252.13586	14.2
253.14302	35.5
254.15137	36.7
273.18640	7.9
291.19687	16.4
305.21075	20.9
323.16879	50.5
323.22284	100.0
324.22803	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03441	3.6
59.01368	8.7
63.53432	2.2
65.83330	2.2
67.45123	2.3
71.01363	8.6
83.05019	5.7
84.02187	2.7
84.94292	2.3
95.04992	3.1
97.06586	8.0
98.20665	6.9
109.06567	2.5
111.08130	8.6
125.09738	2.6
131.05394	2.2
138.06866	100.0
139.07700	14.6
140.08342	6.8
140.09442	2.8
145.20903	2.4
151.11279	22.1
153.12842	7.2
163.11278	9.3
165.12801	5.5
181.12349	22.5
183.13882	5.2
191.10698	3.1
200.10437	2.5
207.13843	3.7
209.11826	22.6
211.13263	3.7
228.99033	3.0
240.13666	3.7
241.14452	12.1
247.20787	4.5
273.18567	7.2
291.19672	57.1
292.20047	6.2
305.17773	4.4
305.21060	16.9
323.22238	96.1
324.22638	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	323.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55488	1.8
57.03447	67.8
59.01378	91.3
65.92963	1.7
69.06004	1.7
69.55253	9.1
71.01381	46.4
72.99300	6.1
73.02948	38.1
75.00874	2.6
78.95889	13.0
80.96526	11.2
81.03439	2.5
83.01385	8.6
85.02944	8.0
87.00879	2.7
88.98780	4.4
89.02442	43.4
95.01361	2.7
95.05010	1.9
96.96015	2.2
96.96973	4.8
97.06574	4.0
99.00843	2.9
99.04519	49.6
100.04852	1.8
101.02438	50.7
103.92045	2.0
110.95051	1.8
111.02000	2.4
113.01739	2.0
113.02462	21.3
113.06078	2.3
117.01942	34.3
119.03486	15.1
123.04514	19.5
125.02447	18.7
131.03476	5.5
141.05545	4.3
143.03468	7.6
149.04506	5.4
153.05576	2.5
161.04546	100.0
165.06619	2.7
178.88811	2.5
179.05608	26.4
202.94127	2.9
203.05576	3.2
211.00090	3.4
233.06621	7.6
241.08344	4.3
242.98904	1.8
263.07657	19.5
291.02872	5.6
315.11743	2.3
323.09680	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34385	0.9
55.01871	3.0
57.03448	5.6
58.00581	1.7
58.14549	0.9
59.01380	73.9
61.98807	1.1
63.75306	0.9
70.05559	3.5
71.01384	38.1
72.99309	2.6
76.00254	0.9
78.95901	1.3
79.22611	1.0
83.01379	2.4
85.02952	50.7
86.03282	1.0
87.00878	1.1
89.02443	39.5
95.01387	3.2
96.96022	1.7
96.96951	1.7
99.08147	1.1
101.02436	22.5
110.04617	0.9
113.02447	15.2
119.03509	17.0
120.29111	0.9
129.01930	1.5
133.02991	7.4
137.83644	0.9
143.03448	2.3
143.07156	1.0
147.02991	8.1
160.01631	2.0
161.02444	22.0
161.04562	3.6
161.08209	1.2
162.02892	1.2
173.05934	1.0
175.04007	1.5
179.05640	3.1
203.07121	1.1
238.22231	1.0
323.07422	2.5
323.13467	100.0
324.13910	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77116	0.8
55.01868	1.0
57.03433	1.0
58.00583	3.3
59.01379	86.7
63.16546	0.8
70.01083	3.7
71.01381	47.4
72.99287	2.7
73.02930	1.3
83.01373	1.8
85.02951	8.5
87.00867	2.6
89.02444	50.0
95.01373	3.8
99.08120	1.2
101.02441	26.6
113.01716	1.3
113.02450	15.4
119.03499	21.0
131.03473	1.1
143.03444	1.5
143.07144	0.9
149.04561	1.7
161.04555	1.8
161.08203	2.7
179.05569	2.8
228.16603	1.0
323.13455	100.0
324.13776	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	323.15
Annotation	(-)-Blumealactone C
Peak:m/z	Relative Intensity
53.64734	0.5
57.03450	2.2
59.01379	23.8
61.98820	2.2
69.56998	0.5
71.01380	2.3
81.03480	0.4
82.21731	0.4
83.01412	0.4
83.05022	3.5
85.02946	1.2
89.02440	0.7
95.05036	1.0
96.96014	6.2
97.06567	1.0
121.06546	0.6
123.08155	3.2
133.06612	0.9
135.08170	1.8
137.06165	0.6
149.04332	0.6
149.06131	0.8
149.09729	0.7
150.04716	0.8
151.07680	0.7
161.06012	0.7
161.09737	0.6
163.07693	1.1
163.11278	1.3
175.11287	1.5
177.09177	0.7
189.09251	1.0
189.12831	0.6
191.10820	1.1
193.12334	1.8
194.03564	0.7
197.11871	1.2
201.12759	1.2
202.10031	1.4
209.15485	0.6
217.12344	2.9
219.10255	1.0
219.13910	4.7
235.13399	0.9
235.66229	0.5
237.14948	100.0
237.81833	0.5
238.15327	8.8
250.97252	0.5
263.12885	1.4
278.81018	0.4
279.15994	0.8
281.13934	43.9
282.14313	3.7
305.14023	0.7
323.11670	2.5
323.14975	37.4
324.15192	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	323.077
Annotation	Skimmin
Peak:m/z	Relative Intensity
57.01590	0.9
57.03433	1.3
58.73302	0.9
59.01377	15.3
60.01694	1.1
60.62931	0.8
61.01787	1.1
61.98810	2.1
69.93893	0.9
71.01379	3.3
71.05023	5.5
71.51961	1.6
73.02917	1.0
76.80562	0.9
79.95696	0.9
80.96494	2.2
85.02956	4.0
87.54758	0.8
89.02414	0.9
91.35404	1.0
96.96028	5.9
97.02934	2.1
97.51185	0.9
99.04536	6.8
101.02425	1.1
111.49321	0.9
115.03986	3.6
117.05591	7.6
125.02452	2.0
126.90503	3.4
129.01900	1.0
133.02945	6.9
135.04533	3.6
143.02428	1.6
143.03494	17.6
145.02921	1.9
147.04529	1.0
161.02534	18.0
161.04549	100.0
162.02809	1.3
162.04846	2.6
179.03503	2.6
276.41785	1.1
323.07700	3.0
323.11230	1.9
323.14944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01711	0.5
61.26064	0.4
61.42282	0.3
63.72276	0.4
71.01395	0.3
71.09248	0.8
78.03612	0.3
94.33035	0.3
94.84695	0.3
98.20496	0.4
101.02467	0.3
104.76083	0.3
120.36006	0.4
125.46274	0.4
130.08754	0.5
149.06052	0.4
163.61243	0.4
167.93806	0.3
168.44260	0.3
183.49310	0.4
190.24373	0.3
321.17130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2071
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01373	20.2
71.01380	2.4
71.05019	18.5
81.03455	5.9
83.05048	2.1
97.06596	2.6
104.68080	1.7
109.02936	2.7
109.06588	5.8
111.04525	33.3
111.08157	3.9
123.08136	1.6
127.07661	2.9
130.96614	2.1
133.66151	1.5
137.06088	7.1
141.09241	1.8
149.09741	4.5
151.07655	3.9
163.11273	2.1
173.13770	1.9
177.11354	2.3
177.12808	14.7
191.14355	3.4
194.06169	1.9
195.13986	2.0
229.32321	1.9
233.15359	3.5
235.13353	6.5
245.19064	4.6
249.15067	2.4
289.18094	19.4
303.19421	3.0
306.18259	3.5
321.20703	100.0
322.20944	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	321.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27063	0.6
57.03452	1.4
59.01378	6.0
61.98849	1.4
65.88023	0.7
69.47793	4.8
71.01385	1.0
80.96516	1.8
83.04987	0.8
97.06570	1.3
98.19957	1.5
119.08653	7.9
121.06607	0.8
123.08176	1.4
125.09724	3.3
137.09731	1.5
163.11256	0.8
185.11795	0.9
191.10806	3.4
211.13396	1.2
237.11270	12.3
245.19115	2.3
271.16904	1.0
289.18079	28.6
290.18436	1.9
319.60931	0.8
321.20682	100.0
322.21027	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
54.69897	0.3
58.02978	1.7
59.01382	0.4
60.89243	0.3
66.48825	0.3
69.62504	1.5
83.05067	0.3
95.05032	0.6
97.06608	0.5
109.06597	0.5
128.10814	7.3
129.11208	0.3
130.08740	100.0
131.04488	0.3
131.09093	3.4
139.15924	0.3
165.12808	0.7
166.90527	0.4
168.97954	0.3
181.40802	0.3
209.11777	0.9
290.18689	0.4
305.17615	1.2
306.13583	0.3
322.20209	34.8
323.20724	3.7
343.60077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68221	1.9
57.03161	3.6
57.03448	72.1
58.00912	2.0
59.01377	85.4
61.62017	2.3
69.03431	2.4
70.41432	6.2
70.41785	2.9
71.01376	41.1
71.02814	1.9
72.99303	2.8
73.02944	57.3
76.55773	2.1
78.95902	15.8
79.05530	2.1
80.52984	2.2
80.96513	12.0
83.01359	5.0
85.02953	9.3
87.00887	4.6
88.98836	3.4
89.02445	46.5
95.01454	2.4
96.38412	1.9
96.96022	5.8
96.96977	4.7
99.00894	3.2
99.04527	48.9
101.02437	45.9
102.90364	2.6
109.02991	3.2
113.02457	20.1
113.06068	2.3
117.01939	100.0
118.02261	2.4
119.03471	14.1
123.04490	15.4
125.02440	16.1
130.08766	2.8
131.03456	2.8
141.05559	4.0
143.03496	7.7
149.04526	3.9
161.04546	95.9
161.05902	4.9
170.73848	2.0
175.26627	2.0
178.88824	4.9
179.05560	24.3
194.11797	2.1
203.05591	3.1
203.70866	2.1
211.00165	5.0
221.06575	2.5
228.82957	3.1
233.06613	4.7
263.07712	21.8
263.45041	2.2
323.02377	2.4
323.06351	2.4
323.09848	15.6
324.20444	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	323.0772
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.59675	0.2
51.78494	0.2
55.01877	1.4
55.39595	0.2
55.85715	0.2
55.96242	0.2
56.79961	0.2
57.03448	10.2
58.17842	0.3
59.01379	4.6
61.98798	0.2
64.94502	0.2
65.37493	0.2
68.99818	0.6
69.50169	1.5
71.01010	0.4
71.01381	6.1
72.99306	4.1
73.02921	0.3
75.00887	0.6
78.95888	0.3
80.96499	0.2
83.01382	1.2
84.02161	2.2
85.02948	100.0
86.02481	0.3
86.03271	1.8
96.96014	0.4
97.02896	0.3
99.00896	0.3
101.02419	0.5
102.85565	0.2
103.00381	0.8
111.00857	0.3
114.01972	0.4
117.03455	0.4
119.04988	0.6
129.01923	1.0
132.02177	3.2
133.02991	0.4
134.03745	4.6
135.04185	0.3
138.43115	0.2
144.03030	0.3
145.02965	0.9
146.04573	0.4
147.02991	48.2
148.03313	1.7
149.06108	1.6
156.95218	0.3
160.01651	18.1
161.02417	2.0
163.03995	0.5
164.04341	0.4
175.03990	26.9
176.04324	1.2
177.05617	0.2
178.09781	0.2
192.87605	0.3
193.05112	1.7
202.06386	0.3
216.56042	0.2
217.08725	0.3
247.06261	0.3
261.07742	0.5
323.07697	7.1
323.11209	0.4
324.07980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
55.05257	1.1
57.03430	1.8
58.00581	2.6
59.01379	79.9
60.01719	1.2
70.87659	1.7
70.87977	1.5
71.01379	54.9
72.99299	3.6
73.02954	8.4
79.45399	1.3
83.01385	4.7
84.77865	1.2
85.02949	16.4
87.00869	2.7
89.02447	46.9
95.01382	4.7
96.96017	1.8
99.00887	2.8
101.01794	2.6
101.02444	38.4
113.01714	2.0
113.02457	22.4
119.03494	18.9
127.38349	1.3
143.03513	2.6
149.04568	1.2
151.63535	1.3
159.03021	1.9
160.04115	1.4
161.04568	6.0
176.93864	1.3
179.05655	3.0
321.11893	100.0
322.12131	7.1
334.52692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01723	0.8
62.99707	0.4
69.40583	0.7
69.40985	2.0
71.01386	2.3
89.02454	3.0
98.20461	1.4
101.02451	1.4
105.34238	0.4
113.02475	1.3
118.44247	0.3
119.03531	1.4
162.04460	0.4
179.05632	0.5
186.91049	0.4
258.18854	0.4
281.07016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
52.33436	1.1
57.03431	1.4
59.01377	7.7
66.58993	1.0
71.52324	1.5
75.66254	0.9
82.69067	1.0
91.26964	0.9
95.05038	1.1
97.06581	4.0
107.05040	1.0
109.06611	2.2
121.02956	2.7
122.03745	7.3
123.08154	3.6
125.09739	8.1
133.06572	3.6
135.04527	6.4
136.01663	1.8
136.05316	8.4
138.03279	1.0
143.08243	0.9
149.02475	1.1
149.06041	7.2
150.06812	4.3
151.04039	1.4
151.07640	25.7
151.11293	1.0
159.04497	3.2
162.03236	1.7
163.11313	2.3
177.05557	73.4
178.05898	4.8
183.63980	0.9
183.92513	1.1
185.11842	11.1
197.11821	1.6
207.10219	2.7
208.96371	1.0
209.11809	3.7
225.11317	4.1
252.13655	1.2
259.17053	3.5
262.16199	1.2
275.16519	1.5
277.18060	4.8
285.14905	5.9
289.17947	2.0
303.15997	32.0
303.19553	1.6
304.16412	2.9
321.17029	100.0
321.20300	4.7
322.17365	9.7
331.14801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80338	1.3
57.03426	1.4
59.01379	100.0
60.01697	1.6
61.98819	2.6
71.52572	1.7
106.04266	1.3
107.05027	2.0
111.08123	1.3
123.04525	5.8
125.09724	3.4
130.08740	15.9
137.02463	7.5
137.09688	1.9
137.85297	1.3
139.04077	2.1
149.06073	1.4
151.88448	1.5
165.12898	2.4
175.64397	1.5
178.10010	1.4
193.08618	1.3
193.12292	2.6
219.13896	4.3
245.19089	2.5
251.12947	2.8
252.13651	18.2
253.13927	2.2
265.10938	2.6
271.16858	2.3
283.12088	2.1
289.18124	34.5
290.18347	2.2
303.19730	1.6
321.17297	2.4
321.20679	33.2
322.20413	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	319.0457
Annotation	1,3,6,8-Tetrahydroxy-2,7-dimethoxyxanthone
Peak:m/z	Relative Intensity
50.42088	0.7
57.03452	15.3
59.01381	11.8
65.00351	1.0
70.08581	0.8
71.01384	2.6
72.99307	2.4
83.01388	4.2
85.02956	11.7
93.03462	3.4
93.71233	0.7
96.96061	0.7
98.20674	1.7
99.00880	2.2
99.52243	0.8
101.02426	1.2
106.25547	0.9
111.00891	2.3
113.36790	0.8
117.03462	18.8
119.04305	0.5
119.05028	14.7
121.02966	1.6
129.01942	100.0
130.02312	3.5
143.05019	2.6
144.05782	0.7
145.02950	63.1
146.03297	3.1
147.04506	1.7
151.00421	0.8
154.99837	3.0
156.05779	2.9
157.06526	3.5
159.04445	0.9
159.08206	1.2
160.05296	1.0
163.04013	5.8
173.00902	33.1
173.02403	1.6
173.06093	2.1
174.01183	2.0
185.06084	2.2
186.03229	1.2
187.04016	0.8
187.07619	2.8
201.05473	3.9
203.07170	2.6
214.02719	0.9
215.03494	7.5
229.05048	4.5
244.03796	1.5
245.04550	2.7
257.04572	13.5
258.04822	1.3
319.04568	61.0
319.14941	1.7
320.04962	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	319.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40079	0.7
57.03450	16.5
59.01381	13.6
59.39368	0.7
64.37444	0.7
64.65356	0.7
71.01380	3.8
71.51598	0.8
79.95722	1.4
80.96510	1.2
81.03465	0.8
83.01385	2.7
85.02953	2.5
89.02446	4.9
93.03458	1.8
95.01389	1.3
97.02943	2.2
101.02451	3.3
107.08817	0.8
109.02953	4.0
111.00877	1.9
113.02461	2.4
117.03394	0.9
119.03497	1.7
120.02143	2.2
121.02977	4.0
125.02448	100.0
126.02721	4.3
133.02924	2.9
135.04514	1.1
135.92134	0.9
137.02451	7.9
139.03995	1.2
149.02408	1.7
157.08740	1.3
161.02452	20.2
162.03035	1.6
163.00362	1.4
164.01155	17.7
165.01923	25.7
176.99719	0.9
177.01880	1.5
197.04544	14.2
201.05724	1.0
203.03503	1.1
224.10608	0.8
243.06566	1.5
269.04556	1.3
287.05701	8.5
301.05417	1.4
315.18097	0.9
319.08698	4.8
319.13992	10.0
320.14505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92274	0.5
55.01868	1.0
58.00593	0.9
59.01380	39.6
66.92626	0.4
69.22256	3.2
69.22674	1.4
71.01379	19.8
71.05020	8.3
72.99307	1.2
73.02947	28.1
75.00873	0.8
79.95760	0.6
80.96509	1.1
81.63263	0.6
83.01389	6.1
85.02975	3.0
85.03401	0.6
87.00869	1.5
89.01291	0.5
89.02457	3.6
93.03503	0.6
93.36654	0.5
96.95979	1.5
99.00867	1.5
99.04531	4.1
101.02440	17.2
101.06099	3.4
113.02454	3.1
113.06081	2.4
117.05577	49.7
118.05891	1.1
119.03497	1.2
125.02470	0.7
131.03513	1.1
138.32855	0.5
143.03491	0.7
144.44716	0.5
145.03000	0.5
159.06674	2.7
159.07768	0.5
161.02495	0.6
161.04524	1.6
241.00249	1.1
243.59047	0.5
261.09845	1.2
279.10831	7.6
321.11899	100.0
322.12271	7.5
322.15863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23271	0.4
57.81479	0.4
59.01377	1.9
59.06651	0.4
61.98820	0.6
71.06383	0.6
74.70851	0.3
79.95758	0.8
96.96010	53.9
97.99930	0.4
99.92590	0.4
106.06603	1.0
116.92880	0.4
154.27649	0.3
167.05882	1.0
186.51720	0.4
255.11382	0.6
273.12323	0.5
299.96808	0.4
317.14261	100.0
318.10983	0.7
318.14597	9.1
320.77332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03442	12.8
59.01376	4.4
65.00317	0.9
68.99815	0.5
69.03452	1.0
71.01372	2.2
72.99306	8.4
73.02934	0.6
81.03456	0.5
83.01385	34.2
85.02948	9.2
87.85358	0.4
89.02449	1.1
93.03448	4.5
96.95995	0.6
97.02956	1.8
98.02478	1.5
99.00874	1.0
100.04892	0.5
100.92593	0.8
101.02432	1.6
109.02940	0.7
111.00875	4.3
111.04492	1.0
113.02451	0.7
117.03456	3.7
118.03071	0.4
119.05024	37.9
120.05379	1.2
121.02956	0.6
125.02394	0.7
127.00381	0.5
129.01941	100.0
130.02248	2.5
130.04251	0.4
132.04549	0.8
133.06570	0.7
135.04477	0.4
137.02437	1.8
143.05037	4.6
144.04480	2.5
145.02946	9.3
145.03775	0.3
147.04500	1.0
154.99869	14.4
155.03487	1.4
156.05838	0.6
157.06548	1.0
159.04527	1.5
160.05275	1.2
161.04636	0.4
161.06078	0.9
163.04005	19.8
164.04276	0.8
165.37379	0.5
173.00902	47.0
173.06100	1.2
174.01147	2.0
174.06673	0.4
175.07626	1.1
177.01775	0.4
177.45676	0.4
178.05391	0.4
182.65973	0.4
185.06067	8.0
186.06345	0.5
187.04033	0.8
199.09770	0.8
201.05563	1.1
203.07135	11.4
204.07521	1.2
209.08337	0.6
213.05605	1.4
229.05072	0.9
231.06572	2.6
233.09286	1.2
235.11870	0.8
257.04507	0.4
270.15088	0.4
319.04880	0.9
319.08264	1.9
319.21185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0461
Annotation	1,3,6,8-Tetrahydroxy-2,7-dimethoxyxanthone
Peak:m/z	Relative Intensity
50.47517	0.9
52.33553	0.9
54.70454	0.8
57.03162	1.4
57.03445	15.9
59.01379	44.2
60.01722	1.0
61.98835	4.5
68.08817	0.7
68.99780	1.1
69.03461	1.2
69.57569	5.1
71.01379	4.9
72.99300	3.4
73.02948	1.2
83.01383	8.5
83.05029	2.0
85.02949	15.7
89.02434	2.1
93.03441	3.1
96.96028	1.6
97.02930	1.1
99.00887	2.6
101.02441	2.9
103.92002	1.5
104.87506	0.8
111.00881	4.6
113.02433	1.2
117.03467	18.4
119.03651	1.1
119.05022	18.9
121.02977	1.5
121.06663	0.9
123.94698	0.8
125.02441	3.0
125.60319	0.7
127.03985	0.9
129.01942	100.0
130.02260	2.2
131.05043	1.0
133.06544	1.4
135.08180	2.3
136.05266	1.0
137.06065	5.9
143.05014	2.8
145.02953	58.5
146.03336	1.8
147.04500	1.6
151.07674	1.5
154.99863	2.2
156.05801	2.7
157.06636	3.9
159.08171	2.4
161.04565	2.2
161.06097	2.3
163.04005	7.5
167.06082	0.8
173.00902	34.1
173.06053	2.9
173.09711	2.4
174.01212	1.0
185.06078	2.7
186.03192	0.9
186.88394	1.1
187.03943	1.0
187.07645	2.2
200.08371	4.7
201.05569	4.7
203.03438	1.1
203.07166	4.9
213.05737	1.2
214.02658	1.3
215.03508	6.8
215.10709	7.0
229.04988	4.6
233.11888	4.7
244.03690	1.1
245.04442	3.3
257.04550	12.2
258.04489	1.0
259.09729	5.5
275.12906	2.2
277.10831	4.0
300.44720	0.8
313.92169	0.9
319.04565	60.1
319.11737	7.7
319.90994	1.3
320.04901	5.4
320.11917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65406	0.4
57.03454	0.6
59.01383	6.1
61.98832	0.6
67.97444	0.5
69.25362	4.1
71.01379	1.3
72.99315	0.5
73.02949	0.8
78.95896	0.9
80.05061	0.9
80.96523	2.0
83.05029	3.2
83.05476	0.5
85.02927	0.8
95.30753	0.5
96.96981	0.6
97.06587	0.5
99.92590	5.8
106.06642	1.8
108.04552	2.9
109.96628	0.5
122.06139	1.3
132.23949	0.5
136.07639	0.7
137.48608	0.6
139.07655	0.7
141.05591	2.0
147.94681	0.5
148.07716	0.5
161.07220	1.1
173.92622	0.9
181.12349	1.1
183.05673	0.7
184.06389	1.8
185.07191	1.6
187.05171	0.8
196.07628	1.6
197.07156	1.5
198.08015	2.4
211.05115	0.6
211.08795	1.4
211.12347	0.6
212.05957	0.5
212.10840	1.6
213.10323	4.0
214.10550	0.6
225.06696	7.8
225.11273	0.6
226.07463	6.8
227.11844	2.8
238.07379	1.0
239.08203	5.2
240.09021	9.5
241.14441	1.0
243.12286	1.0
254.10483	0.8
255.11389	50.6
256.11691	5.0
272.08002	0.7
273.12439	100.0
274.12772	9.9
285.13461	2.3
317.05481	1.8
317.11401	13.8
317.16016	11.8
317.19525	0.7
318.11606	1.0
318.16483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17617	0.4
58.73718	0.5
59.01385	2.3
69.16255	4.0
70.34174	0.5
71.01380	0.5
75.95631	0.5
80.96538	0.6
84.04534	0.7
87.97908	0.6
91.76918	0.5
94.06608	0.6
104.05058	1.1
108.02168	1.1
118.03005	0.8
121.02935	0.7
122.06113	5.0
123.00901	0.8
123.04545	0.8
124.07681	4.2
124.86525	0.4
131.03731	0.7
132.04521	0.5
134.03734	1.3
134.06113	0.5
136.07671	12.2
136.08664	0.8
149.04852	0.5
150.05620	1.5
164.03494	2.1
165.01956	0.5
181.03767	0.9
185.07178	1.6
188.10645	0.5
196.07635	2.1
197.07083	0.7
198.04385	1.8
199.09888	0.6
200.10843	0.8
211.08495	0.5
212.10849	1.1
225.06787	2.2
226.07468	1.5
227.08263	7.7
227.11818	0.8
230.11967	0.8
238.08664	0.5
239.08215	3.5
240.08986	5.8
243.11365	4.6
255.11380	26.0
256.11621	1.8
257.09134	0.5
258.10190	0.8
272.07797	1.1
273.12433	100.0
274.12790	8.4
287.09286	1.6
317.11374	11.7
317.15762	1.1
317.19647	0.8
318.11407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02010	1.2
59.01374	6.1
61.98814	1.3
70.71346	2.8
70.71689	1.4
75.18291	1.5
83.05023	2.3
96.95997	18.9
98.20319	1.8
100.71051	1.2
106.06623	91.2
107.06957	3.0
110.02469	2.2
113.94325	1.0
116.05052	3.9
116.92839	4.2
122.06126	2.0
123.03314	1.8
124.04036	1.2
132.04564	4.0
134.06104	3.7
138.05609	15.3
140.07166	14.5
144.08205	2.2
150.05621	11.2
152.03542	39.7
153.05888	1.4
157.08971	1.7
158.09673	2.0
166.05095	17.2
167.05878	100.0
168.06210	2.9
170.09671	2.8
186.12886	11.4
187.13161	1.3
194.04541	2.6
200.07150	1.7
201.07945	16.3
202.08440	1.5
213.10300	2.1
215.09494	9.1
225.06641	5.0
226.07452	5.1
227.11995	2.6
228.42029	1.3
230.11845	41.2
231.12108	2.3
237.10245	2.3
239.08008	2.1
240.09039	5.3
255.11382	40.0
256.11731	4.2
273.12442	50.0
274.10452	9.2
299.10400	13.3
300.10590	1.4
317.11310	72.3
317.14365	29.3
317.17499	2.1
317.20923	2.2
318.11688	5.5
318.14865	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	317.0666
Annotation	CHEBI:68128
Peak:m/z	Relative Intensity
59.01363	1.6
62.49301	0.5
65.00325	0.5
67.01889	2.4
68.99813	5.9
69.03452	1.9
71.01369	0.7
80.30650	0.4
81.03456	2.0
83.01388	6.7
85.02923	1.4
93.03449	3.1
95.05006	1.7
96.96015	0.8
97.02353	0.9
97.02949	12.3
98.19940	0.9
99.04535	0.6
107.01366	0.5
108.02161	0.8
109.02950	15.9
110.03290	0.6
111.00871	2.3
121.02946	6.3
123.00982	0.9
123.04527	12.6
124.04858	0.5
125.02435	7.0
135.04509	1.0
137.02452	2.2
138.03239	0.8
139.03998	7.5
145.02879	0.8
146.03773	1.1
149.02441	20.1
150.02831	1.2
151.00348	1.6
151.04007	6.1
153.01936	8.3
159.04498	1.8
160.05330	0.8
160.06667	0.5
161.02431	1.7
161.06081	3.0
162.03273	1.0
163.00378	2.2
163.04051	0.6
165.01935	13.1
166.02722	3.8
167.03535	3.0
173.06088	0.9
175.03978	1.2
175.07616	1.1
177.01891	0.8
177.05466	1.2
177.41147	0.4
179.03476	3.0
181.12430	0.4
185.06107	0.7
187.03929	2.9
188.04701	2.3
189.01993	0.5
190.02806	0.6
191.03743	0.5
192.00636	1.4
193.01427	3.7
194.02232	0.8
195.02966	3.8
199.13417	0.5
201.05594	1.4
202.06293	0.9
203.07152	6.8
205.03273	0.8
205.05043	6.9
207.02969	3.7
208.03432	0.6
211.03996	0.6
213.05554	1.5
221.08217	1.1
223.87724	0.5
225.11490	0.7
227.07079	1.6
228.92618	0.6
229.05135	2.6
230.05765	1.2
231.06609	4.6
243.12407	0.8
245.08131	5.0
247.06105	10.8
255.06621	1.2
273.07584	2.5
289.07129	5.0
299.05597	0.6
317.06638	100.0
318.07028	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	317.0302
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
53.72911	1.0
56.07708	0.9
56.11089	0.9
57.03452	5.2
59.01358	3.2
59.27330	0.9
63.02388	5.6
65.00324	10.3
67.01891	1.2
68.99787	1.0
69.49126	2.1
69.49534	4.7
71.01381	1.6
72.99290	1.5
79.95731	1.5
83.01382	9.6
85.02955	2.4
93.03466	1.3
95.01379	8.2
98.20715	2.0
99.04520	1.2
107.01395	18.2
108.02189	3.5
109.02950	100.0
110.03268	1.9
111.00864	2.4
119.01401	1.6
123.00860	2.8
124.01620	7.9
125.02448	18.0
133.02945	3.2
135.00883	10.2
135.04507	1.7
137.02420	1.4
141.94470	1.1
147.00826	1.3
151.00366	52.3
152.01169	20.3
153.01935	30.4
159.04483	2.2
161.02380	2.3
163.00366	69.3
164.00916	4.1
169.01341	2.9
174.03218	1.2
175.02583	1.2
175.03995	4.7
178.99857	32.3
180.00105	1.3
181.01468	1.4
183.04510	2.4
185.02417	1.6
187.03926	3.6
190.99860	46.7
192.00200	2.4
202.02774	1.6
203.03482	4.8
206.97369	1.7
206.99330	33.4
208.00096	18.4
209.00632	1.6
211.04057	6.4
213.01828	1.1
217.05055	4.3
217.43782	1.1
227.03490	16.0
228.03886	1.4
229.01491	1.2
229.04982	2.2
230.02094	1.8
231.03015	8.1
245.04645	5.4
255.02998	22.0
256.03363	1.7
258.01733	2.6
271.02499	5.0
272.90158	1.0
273.04004	6.4
282.01514	1.5
289.03400	1.3
299.01974	18.9
317.02933	13.0
317.06277	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	315.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
60.03753	0.7
70.99412	0.6
70.99744	1.4
71.01381	2.4
72.99291	0.9
73.02937	1.0
75.00881	1.2
79.95743	3.0
80.96530	1.2
83.01383	1.7
85.02957	1.9
89.00325	2.4
89.02448	0.8
90.33588	0.7
91.01898	1.6
96.96008	82.8
101.02447	2.0
102.74791	0.8
106.00607	1.9
111.00908	2.2
121.02954	38.6
122.03310	1.0
126.97704	0.6
127.00334	0.9
135.03003	3.1
138.03223	1.8
139.00447	1.2
153.05569	29.5
154.05873	1.0
180.98105	1.9
182.02170	1.4
197.04539	71.2
198.04875	2.7
209.85739	0.6
241.00204	3.1
278.30338	0.8
303.00165	0.8
315.07547	100.0
316.07837	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67501	0.8
59.01379	6.6
61.98847	1.0
69.76520	0.8
70.66065	2.7
71.01401	1.4
73.02942	1.0
79.95741	1.5
80.05061	1.7
81.03462	1.5
83.05029	3.8
85.02954	1.6
93.07436	0.9
96.96042	1.4
100.15495	0.9
108.04551	18.7
119.05041	1.3
121.02939	1.2
121.05357	1.4
136.07681	32.9
137.07947	1.1
147.03223	3.2
151.00369	0.9
153.01936	7.5
162.05635	9.6
163.00400	1.5
165.01921	4.6
192.00517	1.1
193.01410	2.3
197.04568	2.1
197.11818	0.9
228.10304	1.0
238.07471	2.9
241.06157	1.5
242.06871	2.3
243.11380	3.0
253.09808	5.3
254.10449	1.3
256.08420	2.2
269.18631	1.0
270.10083	2.0
271.10867	100.0
272.11148	8.6
287.05823	1.1
299.99173	2.5
300.02777	0.9
315.01620	1.2
315.05054	2.2
315.09811	9.8
315.13571	1.5
315.14297	1.4
315.18268	1.6
336.03912	1.0
338.34702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.9157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50974	0.5
64.49754	0.5
64.90005	0.6
70.20877	1.3
70.21272	1.0
72.99306	1.1
80.96494	1.0
84.84316	0.5
87.00855	0.6
87.92530	100.0
88.92568	1.3
88.98824	0.5
90.94884	2.0
103.92026	37.8
104.92105	1.1
104.92805	14.7
105.93583	12.2
106.94382	1.7
111.00904	1.0
111.97999	0.9
114.94829	0.6
119.91493	3.5
123.94648	10.1
143.89906	0.8
144.92290	1.6
147.94638	2.4
158.89302	0.9
158.93849	1.2
159.89378	19.4
160.89272	10.2
160.91754	3.3
165.60916	0.6
172.88922	1.5
173.96236	1.3
175.94131	2.0
186.93430	0.8
187.90479	1.3
188.85263	0.6
208.29773	0.5
227.93777	0.7
245.94679	13.4
246.95070	0.7
315.91629	7.4
316.89569	0.5
317.05469	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
58.00110	1.2
59.01379	5.2
71.01390	3.5
72.99311	2.2
85.02950	5.4
93.03455	1.6
95.01403	1.6
95.05025	1.4
98.20504	5.4
101.02495	1.7
108.02172	100.0
109.02981	24.5
110.23106	1.2
113.02418	1.7
117.05576	8.2
121.02943	1.6
121.06668	1.7
123.00871	2.3
123.04505	1.4
125.02433	1.1
133.02953	1.1
136.64716	0.9
151.03943	2.6
152.01144	66.0
152.91747	1.2
153.01942	31.1
157.10040	1.0
163.04001	1.9
165.01903	3.1
222.82866	1.0
254.85793	1.0
279.10718	1.3
308.08804	1.1
315.07214	86.5
316.07510	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	315.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
65.00292	0.5
65.57696	0.4
66.27831	0.4
68.99817	0.4
69.73695	2.2
71.01383	0.9
75.00874	1.7
78.01141	0.5
83.01367	0.6
89.00336	2.7
91.01889	1.8
98.19908	0.8
106.00612	3.7
111.00902	1.2
117.01951	0.6
121.02954	52.5
122.03288	1.6
123.00898	1.6
127.00382	1.0
135.02979	5.2
136.98819	0.8
138.03186	1.8
139.00369	1.4
140.10451	0.4
149.18680	0.4
153.05569	37.7
154.01456	6.7
154.02621	0.7
154.05859	1.9
182.02245	1.6
196.54294	0.5
197.04546	100.0
198.04884	4.4
315.07150	2.2
316.07245	0.9
322.17212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70298	0.3
55.01876	0.5
59.01384	1.8
61.86189	0.3
63.02369	0.5
65.00305	0.5
67.21117	0.3
68.99791	0.5
70.88879	0.7
70.89227	0.4
71.01369	1.0
75.00864	1.7
78.01119	0.7
80.09863	0.3
80.95399	0.3
83.01397	0.7
85.02950	1.0
89.00338	3.2
89.02451	0.5
91.01884	1.4
94.31448	0.3
95.01416	0.3
101.02428	1.1
106.00588	3.8
111.00891	1.3
115.92086	0.7
117.01912	0.5
121.02954	54.8
122.03254	2.1
122.87803	0.3
123.00867	2.8
123.04494	0.4
124.01687	1.8
127.00363	1.3
130.08728	0.7
135.02988	5.4
136.98788	1.3
137.99612	0.3
138.03215	2.0
139.00354	1.1
153.05571	39.6
154.01457	27.4
154.02545	0.7
154.05853	2.2
154.99852	0.5
174.29202	0.3
182.02248	1.6
182.53238	0.4
197.04543	100.0
198.04877	4.2
213.86050	0.3
286.17719	0.5
305.86115	0.4
315.07135	2.5
316.06656	2.9
316.18695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.6
58.02974	11.7
59.01381	30.5
60.52427	2.4
61.40555	2.4
61.98822	22.8
65.95472	2.6
70.02979	5.5
71.01382	22.4
71.51754	4.1
72.99313	3.0
73.02953	6.8
75.00859	2.4
79.95731	4.2
83.05034	3.3
85.02947	13.1
87.00913	4.9
89.02433	12.1
91.05548	4.3
93.03467	3.1
95.01410	3.7
96.96021	8.5
97.02985	2.4
101.02438	12.6
103.62846	2.2
109.02959	4.2
113.02446	6.8
119.03513	5.3
121.02940	3.1
129.01897	2.3
132.97968	2.2
133.06628	2.9
135.04570	3.9
137.02367	5.8
143.03473	4.3
147.04529	24.9
148.57596	2.3
151.03981	3.3
159.04434	3.3
161.04553	5.0
164.07166	56.7
165.05556	2.7
206.08205	100.0
207.08592	7.5
247.81566	2.7
253.09326	3.8
269.13492	3.3
284.89362	3.1
313.09039	25.7
313.12830	11.1
313.16193	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01378	0.8
61.98849	0.4
71.22083	0.4
93.03466	0.2
98.20279	0.3
121.02956	100.0
122.03288	3.6
128.37379	0.2
136.87531	0.2
180.05849	0.7
181.06613	4.3
182.06935	0.4
225.05571	6.7
226.06039	0.3
313.07181	15.8
313.23853	0.6
314.07553	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	313.0928
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
51.21362	0.4
51.95461	0.4
55.01879	1.2
57.03449	1.2
59.01375	4.5
71.01380	16.6
71.21814	0.6
72.99301	0.4
73.02945	5.3
75.00874	0.8
77.61810	0.4
79.95748	0.6
83.01408	1.9
85.02952	8.2
87.00860	0.6
89.02444	1.6
91.46995	0.4
95.01384	1.2
96.96001	1.0
97.02947	0.7
97.34342	0.5
99.00867	2.5
99.84665	0.4
101.02443	8.5
107.05028	100.0
108.02165	0.4
108.04705	0.5
108.05354	2.8
111.00851	0.7
113.02454	6.6
121.02954	0.8
123.08180	0.5
143.03484	1.1
151.04008	8.0
159.03003	1.9
161.04550	10.1
165.05565	0.4
179.03468	0.4
193.05228	0.4
224.16032	0.4
227.07367	0.5
251.09138	0.6
253.08954	0.6
267.84232	0.4
269.10257	0.4
313.05930	0.6
313.09341	4.2
313.12311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1192
Annotation	3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine
Peak:m/z	Relative Intensity
58.04542	2.0
59.01376	8.3
69.20474	17.1
70.91764	1.5
75.39898	1.9
106.06614	28.4
108.08191	4.1
120.04562	10.2
132.04543	3.6
133.06567	9.2
136.04065	4.7
136.07675	72.7
137.09711	2.3
138.03186	7.0
150.05600	3.8
153.05594	17.5
158.24591	1.9
180.06674	4.8
194.08421	2.9
207.06635	3.2
207.09378	2.1
208.10086	1.9
214.12309	7.1
215.09427	3.5
223.12462	11.0
225.42148	1.9
240.09160	2.7
242.11842	21.3
251.11868	33.9
252.12321	2.3
253.09193	3.4
269.12930	100.0
270.13223	9.4
295.16849	2.4
313.06857	2.0
313.07788	2.4
313.11908	47.6
313.15176	3.3
313.17450	2.4
313.23734	8.4
314.12039	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	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.04133	0.7
59.01376	2.3
60.31001	0.8
61.98813	1.3
65.86336	0.7
70.08942	1.0
71.05006	2.2
71.43182	1.4
83.05029	2.5
92.99564	1.2
113.09746	1.9
121.02940	0.8
125.09760	1.0
127.11292	2.6
141.12865	1.0
155.14369	1.0
171.10286	2.3
190.43042	0.8
196.92374	0.8
251.23883	1.1
292.98245	1.5
293.21036	1.4
295.22766	2.4
313.23840	100.0
314.24161	9.7
320.12146	0.9
336.16788	0.8
337.87366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03442	0.7
58.16823	0.3
59.01366	0.3
70.99887	0.3
71.05005	0.7
71.51928	0.4
83.05005	0.3
85.02969	0.3
89.21256	0.3
111.08160	0.9
121.02956	0.5
125.09705	0.7
127.11286	1.4
133.73978	0.3
139.11263	0.2
155.14400	1.1
158.18253	0.3
165.12727	0.4
171.10248	4.1
183.13905	2.2
185.15390	0.3
201.14861	0.5
209.11790	0.3
211.13498	0.5
229.14447	4.4
277.21704	0.4
295.22775	5.1
296.23022	0.5
311.22333	3.3
313.23828	100.0
314.24167	10.4
314.27875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
57.83267	0.7
59.01383	7.8
71.51989	1.1
76.96025	0.7
85.02908	0.8
99.08150	2.1
101.02427	0.9
111.08134	1.1
113.09750	3.8
129.09224	6.4
139.11266	1.6
141.09219	0.9
160.89279	0.9
169.12309	1.9
171.10255	8.0
181.12352	4.6
183.01135	1.8
183.13847	1.6
185.11800	1.0
193.12370	1.7
197.11766	8.7
199.13408	4.3
201.11343	1.4
211.13379	16.7
249.22157	1.1
265.21689	2.4
266.84750	0.8
275.20212	1.5
276.85571	0.7
293.21198	13.9
294.21576	1.1
311.22269	100.0
312.22653	9.9
317.89532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03449	0.5
58.00594	4.4
59.01383	5.4
70.61839	1.2
73.02940	1.4
91.99702	0.7
96.75600	0.5
105.72028	0.4
109.06553	0.8
111.08122	0.7
122.71541	0.5
125.09710	0.9
126.08885	0.5
127.07641	4.1
127.11308	1.0
153.12825	1.0
161.07904	0.6
169.12321	2.5
171.10248	0.9
181.12317	5.0
182.12570	0.7
183.01193	0.8
183.13901	11.7
184.14342	0.5
190.25835	0.5
195.13852	0.8
197.11850	0.9
199.13383	2.1
201.11336	5.5
211.13341	0.7
211.23933	0.5
213.14931	3.4
223.13371	1.4
241.14375	3.2
251.11441	0.6
265.21335	0.5
275.20184	2.0
291.19336	0.6
293.21027	8.3
311.22250	100.0
312.22595	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	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03434	3.7
58.07308	1.7
59.01383	13.6
67.42489	1.5
69.03436	1.5
71.01353	2.1
79.95751	1.9
82.26866	1.8
83.05045	2.5
98.58434	1.5
102.81193	1.7
109.06596	2.1
111.08147	12.6
127.11290	4.0
157.08716	3.9
163.11292	3.1
166.39865	2.0
171.10297	20.9
183.01215	39.6
183.10283	6.7
184.01718	1.7
197.02759	24.2
202.06067	1.8
249.22266	4.6
252.57034	2.0
275.20178	3.6
293.21213	69.8
294.21582	7.7
311.16864	100.0
311.22180	11.3
311.29446	2.8
312.17126	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01372	0.8
64.89217	0.5
69.04141	0.4
69.75968	2.1
71.05025	3.2
71.60866	0.4
83.05006	0.7
84.02184	0.5
87.44758	0.4
111.08125	0.8
125.09702	1.6
127.11312	1.1
139.11284	1.0
155.14439	0.6
158.32883	0.4
163.11234	0.5
165.12796	0.7
171.10268	4.7
183.13881	1.3
209.11784	2.5
243.15956	0.9
249.22144	1.0
291.19641	1.4
293.21262	3.6
309.20593	0.5
311.22256	100.0
312.22589	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.5
59.01385	1.0
62.05847	0.4
62.44976	0.5
69.03455	0.4
71.05035	1.1
72.25941	0.4
82.07207	0.4
97.06592	0.6
125.09734	2.2
127.11353	0.9
132.89392	0.4
139.11301	1.5
141.12804	0.5
153.12845	0.7
163.11269	5.6
164.11983	0.6
165.12907	1.2
167.10767	1.7
167.14471	0.8
168.11537	2.0
171.10292	0.7
181.12265	0.6
182.13100	1.7
184.87148	0.5
211.13452	0.4
229.47557	0.5
239.23917	0.5
249.22241	5.2
250.22603	0.9
293.21219	91.2
294.21500	8.9
294.79919	0.4
306.30295	0.5
311.22260	100.0
312.22589	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53336	0.3
54.65850	0.4
56.74465	0.4
57.23227	0.4
59.01377	2.3
97.06576	0.5
98.19768	0.8
113.09721	0.8
115.07668	0.9
127.07613	0.4
134.27434	0.4
140.03217	0.3
165.12862	0.6
167.14424	3.9
171.10275	0.9
177.12868	0.5
183.13855	2.8
195.13904	10.9
196.14319	0.6
211.13319	1.4
213.14963	1.0
213.79298	0.4
216.73647	0.4
242.15201	1.0
249.22198	0.6
265.21759	0.9
267.23126	0.5
293.21243	7.8
294.21509	0.8
311.22266	100.0
312.22638	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66299	0.3
57.03437	0.5
59.01387	2.3
59.05671	0.4
62.61565	0.3
66.65956	0.3
66.71140	0.3
70.65061	0.4
70.65398	0.7
80.36328	0.3
81.62468	0.3
88.09564	0.3
93.03438	0.3
97.30748	0.4
99.89037	0.3
103.07053	0.3
111.08166	0.9
113.09701	0.5
114.73687	0.4
117.13214	0.4
125.09716	0.7
127.11313	1.3
129.09198	1.3
131.01079	0.3
141.09171	0.7
142.10036	0.5
153.12856	4.2
169.12311	1.9
181.12347	11.0
182.12674	0.4
183.01285	0.4
197.11821	1.0
199.13406	1.3
228.13644	1.1
247.16962	0.7
249.22226	1.0
251.11267	0.6
265.21686	1.0
267.23276	0.8
275.20029	0.4
283.22726	0.7
293.21259	7.5
294.21646	0.6
311.13788	3.3
311.22272	100.0
312.13452	0.7
312.22610	9.9
312.26071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32903	0.6
57.03434	1.2
59.01378	7.8
60.35136	0.5
70.78950	0.7
70.79295	1.3
71.01375	1.7
72.99310	3.0
73.02945	1.0
75.00872	28.0
78.95903	0.9
79.95734	0.8
80.96508	0.8
83.01397	0.8
85.02949	1.7
87.00871	5.7
89.02425	0.8
89.03972	0.7
96.96013	1.5
102.66084	0.5
107.04990	0.9
109.02989	0.5
117.01955	6.9
117.03395	2.8
119.05042	1.4
121.06546	0.6
134.03738	40.2
135.02998	100.0
135.04498	3.3
136.03349	2.2
149.00980	1.0
149.06096	1.8
161.02425	0.9
178.02637	0.7
179.03432	2.7
186.28725	0.6
191.10800	0.7
193.05040	38.2
194.05388	2.4
194.39848	0.5
267.09024	0.6
267.12415	0.8
311.07895	3.5
311.11447	3.8
311.14917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21012	0.6
59.01371	7.5
70.25604	2.1
71.01384	3.6
72.99306	1.4
73.02940	5.9
75.00879	2.7
78.95895	0.8
79.95732	0.9
83.01423	0.8
85.02933	2.2
87.00875	42.5
88.01205	0.8
89.02444	1.3
89.03969	1.9
93.03429	1.1
94.56967	0.7
96.96011	2.5
98.20562	0.9
115.89281	0.8
117.01940	56.3
117.03399	9.6
117.04206	1.4
118.02271	1.8
129.01927	1.4
133.03040	1.1
134.03738	83.7
135.02994	3.0
135.04419	3.7
137.02419	2.5
149.00969	0.9
149.04651	1.7
149.06064	8.8
158.90604	0.7
160.01630	1.9
161.02402	1.0
161.09782	0.9
163.04057	1.5
165.04016	3.2
173.00941	1.2
175.04047	1.8
175.23409	0.8
178.02695	5.2
179.03517	2.2
193.05043	100.0
194.05385	6.6
267.12247	1.0
311.07828	4.4
311.11490	2.4
311.22168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49696	0.8
55.01876	7.4
57.03434	1.3
59.01381	11.1
64.83479	0.9
67.56458	0.8
70.02775	1.5
70.03168	1.4
70.57112	0.7
71.01380	2.5
72.91199	0.7
72.99319	2.7
73.02944	27.0
75.00871	3.6
75.06768	0.8
79.95733	0.9
80.96484	0.9
82.62813	0.9
83.01406	1.2
85.02943	10.2
87.00848	1.3
93.03460	1.6
96.96015	3.9
101.02437	3.5
115.00352	1.0
119.05019	2.3
121.02967	1.9
129.01920	1.7
131.03508	9.6
133.02950	3.6
134.03751	1.0
135.04524	16.1
137.02502	1.5
147.03026	3.1
149.04549	100.0
150.04897	2.0
154.25446	0.8
157.45772	0.7
161.02415	5.9
163.04002	2.9
165.04002	4.4
179.03506	14.7
245.98366	0.9
311.08185	3.7
311.11069	1.1
311.22113	1.3
311.29510	0.9
312.07492	0.9
312.11700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.78039	4.2
51.91243	3.8
57.03453	6.1
59.01374	35.7
61.98809	9.6
63.18669	4.1
69.05148	4.6
69.55917	28.4
71.01381	13.9
71.19178	4.6
80.26541	4.0
83.05037	5.7
86.50201	4.1
95.05042	7.4
95.06248	4.3
96.96001	6.7
97.06570	7.6
98.20219	16.1
99.00940	5.5
99.96409	4.2
104.34031	4.3
111.08164	31.8
113.09705	6.9
119.05022	5.6
124.21740	4.8
134.06390	4.0
151.03952	9.2
151.07587	12.5
151.11316	14.1
152.08430	14.2
165.12845	15.4
167.10796	9.6
177.13008	4.5
179.10780	12.6
181.12321	16.1
183.13892	6.7
195.13916	21.9
197.11807	12.0
206.96207	4.3
209.11819	41.8
209.15427	15.6
211.13393	8.2
247.20625	10.1
263.19952	5.2
273.18677	10.9
291.19629	100.0
292.20154	7.1
309.15210	34.1
309.17139	24.6
309.20435	85.1
310.15649	6.5
310.21048	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	309.2435
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.16647	0.4
51.32788	0.4
57.03470	1.6
59.01380	5.8
60.59492	0.5
61.98842	0.6
71.01411	0.7
79.95758	0.8
80.96546	0.7
83.05055	0.6
84.19437	0.5
85.06604	0.4
96.96011	10.5
96.96615	0.7
97.06612	1.1
111.08149	0.5
113.09748	2.1
151.03983	0.5
152.08440	0.9
179.14412	16.1
180.14848	1.1
194.93544	0.5
209.15451	0.9
230.58376	0.5
233.22705	0.9
259.20621	0.7
277.21713	70.5
278.22083	7.3
279.23273	0.9
309.17514	12.8
309.24329	100.0
310.17599	1.2
310.21124	0.7
310.24719	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	309.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98868	0.7
59.01379	4.7
61.98837	1.0
64.93996	0.6
70.73189	1.9
72.35387	0.7
96.96002	11.0
122.97640	0.8
125.09834	1.6
151.11302	1.2
156.52171	0.7
163.52820	0.7
197.11743	0.8
209.15414	1.3
216.43768	0.7
236.92659	0.8
259.20718	1.6
277.21725	100.0
278.22061	10.9
291.19598	2.5
309.17471	19.1
309.21173	2.8
309.24335	75.9
310.17770	1.5
310.24628	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	309.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
61.98864	0.5
71.06025	0.9
79.95756	0.5
89.64545	0.5
96.96001	4.9
125.09763	0.9
136.38216	0.5
146.37238	0.5
152.08374	0.7
160.30434	0.5
209.15500	0.6
233.22830	1.2
259.20685	1.0
269.40820	0.5
270.29541	0.5
277.21710	100.0
278.22067	9.9
280.47552	0.6
291.19479	1.2
309.17484	7.5
309.24326	57.9
310.17703	0.7
310.24640	6.2
313.99097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
57.05688	1.0
59.01378	12.0
61.98834	2.8
62.18063	1.0
67.01879	1.6
71.01408	1.5
71.65978	1.0
86.68844	1.1
93.75568	1.1
99.22251	1.0
111.08170	1.3
112.08496	1.2
121.10243	4.8
122.10588	3.7
125.09721	2.9
125.96912	1.1
126.10069	2.8
133.79196	1.1
137.09705	3.0
138.10030	2.2
161.04573	1.2
163.58830	1.1
167.14444	2.3
171.10280	6.0
172.10628	5.0
182.12643	1.4
183.13878	1.5
185.11807	5.0
186.12148	4.3
194.37724	1.2
195.13940	5.0
195.89961	1.2
196.14375	1.3
197.11855	1.3
198.12190	2.2
211.13385	24.1
212.13730	40.1
213.13965	2.0
229.38382	1.2
274.18842	1.6
292.19995	100.0
293.21008	13.4
310.21036	25.7
311.22244	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31829	0.7
59.01367	1.6
62.08635	0.8
71.01373	0.9
97.06585	2.1
98.20753	1.7
113.09718	2.1
115.07629	0.9
125.06182	1.0
126.06828	1.4
141.09244	1.7
151.11301	1.0
165.12825	4.1
167.14438	1.5
181.12321	3.5
183.13850	1.6
193.12239	1.6
195.13954	2.1
209.11792	0.8
211.13408	4.0
221.15475	1.7
240.13658	2.4
247.20569	4.5
265.21582	1.0
273.18558	2.6
281.21130	2.1
291.19650	41.1
292.20108	3.8
292.24240	0.8
309.20691	100.0
310.20993	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	309.2071
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.12271	0.4
57.03433	1.8
59.01377	2.1
69.03450	0.6
71.01376	0.6
71.05010	1.4
75.56352	0.4
78.95922	0.4
80.02642	0.6
81.03449	0.9
82.13693	0.4
83.05020	0.8
84.02164	0.5
85.92305	0.4
95.05033	0.8
97.02951	2.1
97.06564	0.8
98.03735	0.7
109.06567	0.5
111.08148	1.1
119.04939	0.4
120.79452	0.3
123.04516	0.6
123.08134	1.7
125.06080	0.7
125.09772	2.3
127.11279	0.4
135.08063	0.4
137.09723	0.7
141.12808	1.2
151.11288	0.5
153.12840	1.2
161.09712	0.8
162.10506	0.7
163.11284	6.2
165.09209	1.3
165.12856	8.6
166.09981	1.0
167.14447	0.7
171.10268	0.7
175.11278	0.6
177.12799	0.5
179.14455	3.6
181.12326	3.5
183.13863	0.6
185.11836	0.9
189.12924	0.4
191.10742	0.4
193.15970	2.2
195.13831	0.4
197.11845	1.1
197.15352	0.6
207.10220	0.7
209.11880	2.0
211.13313	0.6
219.17447	0.5
221.11748	0.7
223.13409	4.1
247.20676	9.6
248.21054	0.7
273.18607	2.7
291.19653	99.6
292.20001	10.0
309.20706	100.0
310.21066	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28633	0.7
57.03431	0.9
59.01368	1.7
63.20493	0.9
69.03445	0.9
70.83202	1.5
78.32194	0.7
80.02625	0.8
95.05035	0.8
96.40424	0.8
97.02938	0.9
123.04483	0.9
123.08148	0.9
125.06015	0.7
125.09702	1.5
132.68614	0.8
141.12830	1.0
151.03981	1.2
151.07664	1.4
152.08374	1.3
153.12782	1.5
158.22639	0.9
163.11267	5.2
165.12869	8.8
166.09941	1.9
168.49690	0.9
176.89737	0.9
179.14342	3.1
181.12352	3.7
185.11879	1.2
193.15977	2.3
209.11832	2.5
209.15450	2.2
219.17470	1.1
223.13367	2.7
247.20586	10.6
248.21048	1.5
271.05676	0.8
273.18646	2.6
291.19644	100.0
292.20053	5.7
309.17294	4.2
309.20679	84.9
310.20920	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.92507	0.8
54.40218	0.8
59.01363	1.0
71.14158	2.0
83.05075	1.1
102.17631	0.8
111.08152	3.6
125.09695	0.8
127.11296	1.4
129.21385	0.9
151.11292	1.5
153.09225	1.0
153.12865	5.2
155.10791	1.9
165.12836	1.2
167.10690	1.0
169.12346	1.7
174.32477	0.9
179.14342	3.0
181.12338	4.3
197.11836	4.0
199.13434	1.9
207.13884	2.5
227.12854	1.2
228.13527	1.2
247.20729	5.9
265.21783	1.5
273.18594	1.5
281.21075	1.8
291.19659	38.1
292.19974	3.2
309.20703	100.0
310.21005	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49634	0.9
57.03453	1.1
58.00592	1.6
59.01375	1.8
69.66817	2.6
69.67223	1.5
73.02966	0.9
83.05025	0.9
90.63497	0.7
93.07138	0.9
97.06611	0.9
98.20058	2.0
98.20654	1.1
99.30936	0.9
105.62118	0.8
109.06556	1.1
111.08150	28.5
111.08897	1.5
112.08547	0.8
125.65498	0.8
127.07655	3.0
141.09241	0.7
144.71579	0.7
151.11284	0.8
153.09186	1.0
153.12839	1.8
167.10757	0.8
169.12292	6.5
179.10683	0.9
181.12347	2.2
183.13818	1.2
193.12341	1.2
197.11819	100.0
198.12134	5.7
199.13379	3.6
209.15340	1.1
211.13400	11.9
212.13745	1.1
225.14911	1.5
227.12941	2.0
247.20558	0.9
263.20142	8.1
265.18082	2.4
272.89972	0.7
273.18332	1.9
291.19647	23.3
292.20038	2.2
309.17340	1.8
309.20670	46.8
310.21085	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	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03464	0.9
59.01379	1.8
61.98833	0.4
62.26481	0.3
65.29729	0.3
69.03444	0.4
69.60024	0.3
71.01394	0.7
71.05022	0.3
72.73927	0.3
83.05024	0.5
85.02955	0.3
85.06609	0.4
95.05007	0.7
96.96012	0.4
97.02970	0.3
97.06595	1.8
98.20280	2.7
99.08155	0.6
110.71461	0.3
111.08162	1.0
113.06121	0.3
113.09719	2.6
115.07630	1.6
121.10232	0.4
123.08214	0.5
125.06104	1.0
126.06881	1.2
137.09723	0.5
139.11275	0.9
141.08310	0.3
141.09192	1.8
151.11272	0.9
152.08440	0.4
153.12811	0.5
155.10870	0.4
163.11237	0.3
165.12817	3.4
167.10730	0.9
167.14420	2.0
167.99237	0.3
169.12312	0.4
177.12816	0.3
179.14417	0.4
180.11551	0.3
181.12358	3.6
183.13857	0.9
193.12283	2.2
193.16000	0.5
194.22592	0.3
195.13869	2.0
196.14212	0.3
197.11847	1.7
209.11787	0.4
211.13370	4.7
213.15012	0.6
221.15422	1.6
229.14621	0.3
239.12729	0.5
240.13686	1.9
241.14362	0.6
245.19125	0.3
247.20657	3.6
248.20985	0.4
252.58533	0.3
263.20190	0.6
265.21686	0.8
273.18625	3.1
274.18912	0.3
281.21094	1.5
291.19638	41.2
292.19971	3.9
293.38718	0.3
306.66028	0.3
309.20685	100.0
310.21066	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28845	1.0
53.05303	0.9
53.36998	0.9
54.46517	1.1
57.03444	1.5
59.01374	1.5
69.03510	1.4
70.82117	2.4
83.05041	1.6
109.06596	1.4
111.08160	31.6
127.07677	2.3
153.12866	2.0
167.10698	1.4
169.12337	4.9
181.12378	1.8
189.59764	1.0
197.11827	100.0
198.12170	5.3
199.13367	3.2
209.15457	3.2
211.13397	8.6
227.12898	2.8
247.20705	1.9
263.20236	4.9
265.18048	3.0
273.18539	1.5
291.19647	21.1
292.20029	2.6
309.17377	1.5
309.20728	41.4
310.21048	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	309.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56292	0.4
55.01846	0.4
57.03442	0.8
57.99062	0.3
59.01379	100.0
60.01717	1.0
61.98806	0.6
65.93072	0.3
69.21310	1.8
69.21725	1.2
69.41686	0.3
71.01384	3.0
72.99323	0.5
73.02954	1.0
78.95882	0.3
83.01377	0.6
85.02947	4.2
96.12714	0.3
96.96007	0.6
97.70924	0.4
98.19876	0.8
101.02426	2.4
113.02438	0.9
113.20518	0.3
117.03390	0.4
119.05011	1.7
133.02968	0.7
135.04555	1.6
145.02971	1.1
147.03030	1.0
161.02472	3.1
161.04594	1.2
163.02571	0.6
163.04024	0.9
176.31731	0.4
179.03528	1.3
221.11946	0.4
222.95496	0.3
224.35721	0.4
236.96846	0.3
249.13385	3.6
265.07007	0.4
309.06332	1.3
309.09995	1.4
309.13229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1708
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
53.79805	0.6
57.03446	2.0
59.01378	100.0
60.01706	1.2
61.98834	1.8
69.03461	2.0
69.45689	5.2
71.01373	1.2
79.95752	1.6
80.96479	1.0
83.05031	3.2
85.02966	5.2
96.96012	10.4
96.97004	0.8
97.02948	2.0
98.19843	0.8
98.20414	2.8
101.02478	1.7
107.05048	1.9
109.92439	0.8
115.92034	0.8
119.05027	1.0
129.01952	1.6
147.02971	0.9
147.08197	3.1
163.03978	1.1
187.11278	2.2
188.57707	0.7
189.66199	0.7
191.10793	5.0
202.77982	0.7
213.12877	2.9
231.13907	8.0
249.14980	1.0
265.14633	0.9
280.09473	0.7
291.19760	1.5
309.10153	3.7
309.13498	2.9
309.16946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
58.16298	1.1
59.01389	6.4
71.00382	2.2
71.01385	1.4
73.57990	1.4
81.59167	1.1
93.07104	1.2
97.06581	3.3
104.88687	1.3
112.45621	1.1
119.05028	1.4
120.78561	1.2
121.10232	11.0
125.09720	8.9
137.09720	1.8
152.65401	1.2
168.33455	1.2
171.10272	4.2
185.11858	11.8
195.13881	1.8
197.11821	3.8
199.31517	1.3
209.11778	1.6
211.13382	66.0
212.13728	4.2
223.13437	1.4
225.14912	1.4
226.68753	1.3
291.19656	100.0
292.20059	9.6
309.20670	16.4
310.21106	1.5
316.81061	1.3
334.54504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01377	65.0
61.98800	1.3
67.00672	0.7
68.57398	0.8
69.03444	1.3
69.52714	5.1
81.03445	1.0
83.04976	0.9
95.05006	0.9
97.02960	1.3
97.54953	0.9
98.20663	0.9
99.08111	1.2
109.90636	0.7
110.12396	0.7
119.05061	1.4
119.08644	1.6
123.08143	0.9
130.43529	0.8
137.09734	5.8
159.01106	0.7
165.12802	1.8
171.10287	8.6
179.10757	1.3
179.14461	1.1
181.12340	1.0
183.13954	1.8
185.11847	1.2
209.11827	3.3
209.15547	1.1
211.13425	1.9
221.15491	0.8
227.12901	8.0
247.20297	1.0
249.18358	0.9
273.18549	1.0
291.19650	11.1
292.20084	1.3
309.20685	100.0
310.20990	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	309.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94454	0.2
57.03439	0.8
59.01373	2.0
66.58858	0.2
69.57220	0.9
69.57648	0.6
71.01377	1.7
72.99324	0.7
79.95721	2.2
79.96062	0.2
80.96531	0.3
84.02145	0.2
85.02950	8.0
87.00854	0.3
87.03822	0.3
96.96011	100.0
97.95924	0.5
101.02450	0.4
107.05047	0.3
110.97581	8.9
111.00909	0.2
115.00385	3.0
117.03509	0.3
119.05033	0.8
125.06078	0.3
129.01910	0.4
133.01428	6.5
133.02942	0.4
134.03745	6.8
135.04459	0.5
143.07063	0.3
145.01471	0.4
147.03000	4.2
149.06081	0.5
159.04520	0.3
161.02441	0.6
163.03979	0.4
175.02751	0.3
179.03522	0.5
179.42583	0.2
193.05052	5.4
194.05322	0.4
209.03050	0.6
306.07648	0.4
309.10126	54.7
310.10406	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01880	2.3
57.03444	3.3
58.00585	3.4
59.01380	77.0
60.01701	1.5
71.01382	40.9
72.99310	3.0
73.02937	2.4
75.15092	0.8
83.01390	2.3
85.02952	27.9
87.00871	1.3
88.37537	0.9
89.02445	43.4
93.01907	0.7
95.01363	2.3
99.00877	1.1
101.02444	28.8
113.02448	16.0
119.03498	20.4
119.05009	1.6
131.03491	1.9
133.02950	2.5
135.04547	1.3
143.03456	1.6
147.03003	9.3
147.06598	2.2
149.04526	1.2
161.02440	10.3
161.04568	2.1
163.02574	1.4
163.03993	1.9
179.05595	2.4
229.89734	0.8
309.11902	100.0
310.12350	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
53.94833	0.8
55.01868	1.1
57.03442	1.8
58.00588	2.4
59.01377	70.2
60.01715	1.0
70.78114	1.8
71.01379	30.0
71.08176	0.7
72.01714	0.8
72.99300	4.2
73.02943	4.0
78.95890	1.3
80.96539	1.0
83.01368	2.6
83.05018	1.7
85.02949	9.0
87.00884	1.7
89.02441	29.5
95.01399	2.5
96.25306	0.7
96.96953	1.6
98.44928	0.8
99.00859	1.2
101.02444	23.7
110.55243	0.7
112.59305	0.7
113.02438	13.0
114.18572	0.7
117.01910	4.2
119.02673	0.9
119.03499	12.6
129.05586	13.8
130.08673	0.9
131.03484	0.8
143.03514	1.2
147.02991	1.4
147.06606	1.0
159.02986	0.8
161.04573	1.6
179.05579	0.9
215.19135	0.9
231.77786	1.0
242.92403	0.7
249.09769	2.2
309.11880	100.0
310.12201	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70988	0.4
55.01854	0.4
57.03441	0.7
57.93155	0.4
59.01379	100.0
60.01699	1.0
69.57666	2.6
71.01379	2.5
72.99321	0.7
73.02952	1.0
83.01406	0.7
85.02956	3.3
96.96026	1.0
98.20668	0.6
99.00881	0.6
101.02422	2.6
103.00396	0.5
113.02483	0.5
116.92944	0.4
117.03451	0.6
117.46532	0.5
119.05029	1.0
123.05622	0.5
133.03001	1.0
134.03709	1.2
135.04558	1.7
145.08702	0.6
147.02980	0.6
161.02527	2.4
161.04631	0.9
163.02527	1.3
163.04086	1.3
179.03525	1.5
193.05086	1.4
212.47624	0.5
221.11903	0.5
249.13400	3.0
284.92102	0.5
292.38083	0.5
309.06372	0.9
309.09967	1.1
309.14194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19997	0.2
54.50840	0.3
55.01892	1.5
55.24878	0.3
57.03452	10.2
59.01385	3.5
62.95692	0.3
69.54093	1.7
71.01383	1.4
72.99322	0.6
83.01380	1.2
84.02180	2.2
85.02954	100.0
86.03295	2.2
98.20016	0.6
98.20628	0.6
101.02417	0.7
103.00377	0.8
111.55330	0.3
129.01936	0.9
132.02144	0.7
133.02963	16.0
134.03322	0.4
135.04536	4.2
147.03000	45.2
148.03326	1.2
161.02448	52.1
162.02768	1.8
163.02446	0.4
163.04010	0.4
179.03523	3.2
203.07126	0.8
233.04482	0.4
247.06084	1.3
263.49564	0.3
309.06216	5.0
310.06601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03446	10.5
59.01374	8.0
61.98829	0.6
71.01376	2.9
71.51166	0.5
72.99305	6.1
73.02949	1.0
73.33050	0.5
79.95756	0.9
83.01384	1.4
84.02161	1.9
85.02947	98.6
86.03290	2.0
96.96008	49.9
99.00859	0.6
101.02446	1.5
103.00298	0.6
103.03985	1.5
106.60076	0.5
110.97575	4.8
111.00911	0.6
119.05029	1.3
121.58987	0.5
129.01939	7.3
133.01424	1.4
133.02953	1.4
134.03772	2.8
135.04526	18.6
143.76501	0.4
147.02992	100.0
148.03346	2.6
159.04526	1.2
161.02434	4.8
163.04013	0.8
176.03506	0.6
179.03488	17.7
180.03819	0.8
190.73180	0.4
191.01970	1.1
193.05011	1.2
209.02997	1.5
213.37761	0.5
247.06128	0.8
249.09822	0.6
265.10706	0.5
265.14221	0.5
306.07712	0.9
309.10120	28.1
309.12872	1.1
310.10458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01378	2.1
61.98834	0.5
69.03446	0.7
69.14488	0.5
69.14894	1.9
71.01387	0.5
72.99286	0.3
75.99468	0.3
79.18474	0.2
79.95729	3.1
80.96503	0.4
83.05012	0.3
85.02949	1.1
87.00872	0.2
95.95232	0.4
96.96008	100.0
97.02952	0.9
97.95936	0.3
98.20625	0.4
110.97578	30.3
119.05009	0.5
133.02954	0.5
133.05046	0.4
135.04503	0.4
145.02954	0.4
147.03043	0.2
161.02478	1.7
164.96733	0.3
189.09027	0.8
196.13478	0.2
197.11809	0.8
203.00751	0.2
205.98015	0.2
231.10007	0.4
233.22258	0.2
249.07996	0.7
249.11070	0.8
265.14365	0.3
273.54947	0.3
309.10117	59.7
309.12973	2.5
310.10471	4.3
310.16937	0.3
310.56888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38559	0.2
55.82686	0.2
57.03443	0.4
59.01382	2.6
61.98836	0.3
65.79574	0.3
69.03461	0.7
71.01389	0.4
72.99309	0.3
75.12543	0.2
79.95285	0.4
79.95728	2.8
80.96509	0.5
83.63816	0.2
85.02956	0.9
87.00871	0.2
95.95245	0.3
96.96011	100.0
97.02943	0.5
97.95966	0.3
98.20667	0.6
110.97579	31.2
113.02413	0.2
117.86621	0.2
119.05018	0.5
123.04528	0.3
133.02960	0.5
133.05017	0.3
135.04515	0.8
145.02939	0.7
147.02957	0.3
151.11324	0.3
161.02431	2.8
161.04561	0.4
189.09100	0.5
197.11845	0.5
228.96263	0.2
249.08003	1.0
249.11035	0.6
291.12015	0.4
309.10126	56.3
309.12930	2.0
310.10452	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	308.9782
Annotation	D-Ribose 1,5-bisphosphate
Peak:m/z	Relative Intensity
58.13227	0.4
59.01366	0.8
62.71736	0.3
66.99332	0.3
70.18922	1.2
78.95901	57.3
91.28518	0.3
96.96959	100.0
122.01233	0.3
134.91621	5.1
138.98001	2.3
150.98050	0.6
158.92537	5.7
174.98021	0.4
176.93567	5.3
176.94884	0.5
192.99094	1.9
194.94603	0.5
202.94153	0.4
211.00128	7.7
218.94601	0.5
233.78668	0.3
238.87903	1.1
245.38899	0.4
308.79544	1.5
308.97809	12.6
309.97635	0.3
332.31131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.0
57.03439	4.4
59.01379	100.0
71.01020	1.8
71.01385	30.3
71.50731	3.1
72.99314	4.7
73.02943	7.2
75.00871	65.2
78.95913	13.4
79.95750	2.0
80.96514	3.5
83.01382	9.5
85.02952	21.5
87.00890	4.2
88.98807	2.0
89.02448	25.7
95.01364	2.9
96.95991	7.0
96.96947	18.4
98.95518	1.8
99.00879	5.0
100.74505	1.8
101.02446	12.7
103.00372	76.5
109.03002	1.9
109.11260	1.8
111.00871	3.1
112.98804	9.7
113.02425	9.3
115.00372	4.4
117.01939	11.1
119.03522	10.5
119.05048	4.6
128.03516	3.2
129.01930	6.9
129.05597	10.3
130.08743	6.2
130.81764	1.5
131.03487	1.7
133.02933	1.7
141.86749	1.6
142.99834	17.2
143.03484	3.2
147.02991	2.3
159.02992	6.8
161.02481	1.7
161.04558	4.3
163.03925	1.6
173.00894	14.8
177.02068	1.9
179.05573	3.8
191.01930	4.7
209.03096	2.4
308.98056	4.0
309.03091	2.5
309.08591	2.5
309.11890	69.3
310.12384	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03448	10.0
57.48761	0.2
58.15889	0.2
59.01379	4.4
68.99816	0.4
69.12988	0.6
69.13400	2.0
71.01387	1.8
72.99310	0.5
73.02969	0.4
79.95741	0.2
80.96535	0.3
83.01398	1.6
84.02178	2.2
85.02950	100.0
86.03283	2.3
88.51748	0.3
96.96019	0.5
99.00877	0.4
101.02448	0.8
103.00381	0.9
109.39941	0.3
119.05022	0.5
129.01906	1.0
132.02165	0.6
133.02956	18.6
134.03302	0.8
135.04556	3.5
145.01431	0.5
147.02994	46.0
148.03313	0.9
161.02438	58.2
162.02773	2.6
163.02625	0.4
163.03932	0.5
179.03477	2.9
203.03519	0.3
203.07117	1.0
233.04594	0.5
247.06084	1.2
309.06189	4.9
309.09650	0.6
310.06659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
52.98316	0.5
54.96822	0.4
59.01364	1.0
61.98797	0.4
70.73385	0.9
71.01377	2.4
71.14180	0.4
103.03999	1.3
157.05046	0.7
175.03888	0.5
184.57448	0.5
191.06795	0.4
307.22775	100.0
308.23108	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	308.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98038	0.8
59.01370	2.3
61.98820	0.7
70.53101	0.9
71.01385	1.0
74.99097	0.3
85.02956	0.8
96.96025	1.3
116.01774	0.5
119.05062	0.6
129.01956	0.5
135.02751	100.0
136.03094	4.3
144.04562	0.4
145.04904	1.2
145.99100	0.3
146.06079	0.5
147.06454	0.5
161.00703	0.3
161.02440	0.7
179.01726	85.4
180.02005	3.3
184.59235	0.3
190.05116	0.6
191.05403	0.8
207.07773	0.3
244.89581	0.4
308.06055	1.3
309.10059	1.2
309.13336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
59.01374	3.6
70.81487	1.3
71.01392	1.4
109.90733	0.6
122.50623	0.7
136.66675	0.6
149.09753	1.4
177.16475	1.3
179.38443	0.7
203.18045	0.7
205.12129	0.8
222.04532	0.6
231.21155	6.3
232.21494	0.9
275.20157	100.0
276.20502	10.3
307.22781	19.0
308.23065	2.2
312.15808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.03442	1.7
59.01387	4.1
69.03481	0.7
69.18475	5.0
71.01381	2.2
71.04996	0.7
71.51901	0.5
79.81326	0.5
95.05027	1.2
99.49386	0.5
103.03998	1.1
107.21850	0.5
111.08153	1.0
167.10811	0.8
177.12886	4.4
177.16458	1.0
179.14436	9.5
180.14615	0.6
191.14439	0.6
195.13895	4.3
205.12364	2.9
205.15965	7.1
206.16212	0.6
223.13403	15.4
224.13631	0.9
231.21164	5.5
257.19165	1.2
270.86996	0.6
275.17023	1.3
275.20142	69.5
276.20486	5.9
307.22781	100.0
308.23126	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
59.01373	7.1
59.47800	0.9
64.33713	0.9
69.91464	4.1
71.01389	6.0
81.03436	2.3
95.05015	1.7
97.02940	3.3
97.06597	2.5
103.03998	3.2
106.04230	1.2
108.02328	1.1
109.02913	1.1
109.06583	2.5
110.03733	1.0
111.04505	1.0
120.96461	0.9
121.02909	0.9
121.06580	2.0
123.04536	6.5
123.08180	1.2
125.09729	8.2
129.66885	1.0
135.08165	1.8
137.06023	1.3
137.09718	6.3
141.12816	2.9
142.02690	1.1
149.06070	2.0
157.05089	1.3
163.11290	9.4
165.12773	0.9
171.10316	1.2
177.12880	2.1
179.10759	1.2
181.12343	2.0
185.11819	14.0
186.12218	1.1
191.14410	13.3
202.13684	1.3
207.10284	9.1
213.09114	1.2
225.11324	8.5
226.11819	1.5
235.23152	1.1
245.19086	29.2
245.21596	1.6
246.19402	2.1
247.08299	2.3
271.17072	2.5
289.18085	100.0
290.18347	7.5
307.19119	51.8
308.19449	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50255	0.6
57.03381	2.8
59.01307	3.8
59.79814	0.6
69.03415	0.8
69.18591	0.7
69.44679	3.9
71.01308	2.4
71.23412	0.6
80.02615	1.7
81.03377	4.0
83.04959	1.5
88.59873	0.7
93.03356	0.7
95.04930	2.6
97.02950	5.1
97.06501	3.0
98.03744	0.8
106.04176	1.2
109.02863	0.6
109.06490	2.3
113.06001	0.8
121.06509	1.7
123.04520	4.9
123.08055	2.5
125.09724	7.1
135.08061	2.3
136.05151	0.9
137.05995	0.9
137.09718	6.9
138.09921	0.6
141.12808	1.6
149.06035	1.3
149.09633	1.0
151.11259	1.2
161.09663	1.9
163.07610	1.3
163.10065	0.7
163.11288	8.9
165.12791	1.8
166.09753	0.9
171.10155	1.7
171.11729	0.6
174.49483	0.6
177.12781	1.5
179.10745	1.6
181.12218	2.9
185.10283	0.9
185.11832	11.3
191.10797	0.8
191.12782	0.9
191.14401	13.5
192.14668	1.4
201.80557	0.6
207.10219	7.1
209.11778	2.4
217.16040	1.6
225.11333	6.6
226.11832	0.9
227.17967	1.0
238.80794	0.7
245.19104	33.5
246.19403	2.8
271.17090	2.5
289.18094	100.0
290.18433	9.7
305.33490	0.7
307.19162	53.1
308.19461	5.7
311.84424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.73999	1.3
55.79228	1.5
58.93925	1.4
59.01374	6.8
69.79043	5.9
71.01381	5.3
76.48803	1.2
81.03477	1.9
83.04996	2.1
95.05030	1.8
97.02972	1.3
97.06580	2.7
103.04026	3.1
104.21920	1.3
109.06564	2.7
111.08186	1.4
123.04524	3.2
123.08126	2.3
125.09714	5.4
127.07631	3.2
132.19792	1.3
137.02451	2.1
137.06160	1.6
137.09650	3.3
141.45679	1.5
149.06065	1.9
149.09706	1.9
151.11287	5.6
153.09175	3.2
153.12868	1.8
155.10776	5.9
157.05122	1.6
161.09660	1.4
163.11301	5.8
165.09200	1.4
167.10788	2.9
169.12340	2.3
177.12891	3.7
179.10866	2.8
181.12341	2.0
185.11821	5.5
191.14433	9.5
191.16006	1.9
197.11876	2.3
205.12352	3.2
207.10255	2.3
209.11845	5.1
211.13388	5.4
224.10493	1.9
225.11304	2.7
239.09239	1.6
245.19063	27.4
246.19417	4.2
247.08406	2.0
261.18497	1.5
263.20203	7.2
271.17120	3.6
289.18088	67.1
290.18353	7.0
307.19144	100.0
308.19510	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.4
59.01373	15.5
63.17646	3.3
69.03458	5.6
70.81699	9.7
71.01384	21.5
80.02699	3.8
83.05022	10.6
84.05084	3.1
93.03452	3.5
95.05012	3.2
97.06587	21.1
104.77234	3.1
106.04277	3.7
109.06583	6.3
111.08163	13.1
121.87542	3.4
123.04553	4.1
123.08145	3.9
125.09749	8.2
137.09760	7.8
149.09688	3.3
151.11290	32.8
153.09215	4.6
155.10803	10.6
157.05048	5.8
163.11259	8.2
165.12872	36.3
177.12852	6.1
179.10773	12.7
181.12349	45.3
184.79105	4.2
191.10791	20.6
191.14368	11.5
192.64276	3.8
197.12038	4.9
209.11829	100.0
210.12181	10.5
211.13390	9.0
226.14912	3.1
245.19069	43.5
251.20181	3.2
263.20038	13.8
279.19583	4.0
289.18039	53.2
307.19125	94.8
308.19296	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29778	0.6
57.03445	1.1
59.01167	0.5
59.01385	6.6
70.74221	1.9
71.01383	5.4
71.05020	4.2
72.94917	0.6
75.14019	0.6
80.02674	1.0
81.03443	2.5
83.05009	2.2
95.05029	2.2
98.03723	2.4
103.03992	2.7
109.06588	13.2
111.04530	6.2
111.08121	1.0
122.33360	0.7
123.08182	1.6
127.07639	3.6
135.04547	0.7
137.06065	0.7
143.10753	1.6
145.06595	1.8
149.09651	0.8
157.05034	2.0
163.11261	1.0
167.10780	1.8
177.12714	0.8
179.10625	0.9
181.12347	0.8
191.14302	1.2
195.13875	3.6
207.17473	0.7
235.13414	1.1
237.12386	0.6
245.19009	4.9
247.08153	1.8
251.16455	0.9
263.19943	0.7
271.17068	2.1
287.16406	1.1
289.18082	100.0
290.18423	7.6
307.15768	1.2
307.19131	12.7
308.19324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14980	0.6
57.03424	1.0
59.01387	4.7
61.98817	0.8
69.03435	0.7
70.52837	2.4
71.01392	5.5
71.05025	4.8
71.41467	0.6
80.02691	1.1
81.03452	2.3
83.05035	2.6
95.05028	1.9
97.06571	1.2
98.03738	0.8
103.04010	2.3
107.05027	0.7
109.02908	0.8
109.06594	14.5
110.06914	0.8
111.04522	7.0
111.08192	1.6
123.08158	1.5
127.07623	3.2
137.06090	1.3
137.09749	1.6
143.10767	1.5
143.33876	0.7
145.06580	2.0
149.06024	0.8
149.09761	1.4
157.05061	1.5
163.11380	1.2
167.10759	2.5
167.93398	0.6
177.12773	0.7
178.09967	0.6
179.10742	0.9
188.44958	0.6
191.14363	1.2
195.13860	3.7
235.13287	2.1
245.19136	5.6
247.08412	1.5
249.14816	0.9
251.16647	0.8
260.83392	0.6
271.16931	1.8
271.25327	0.8
287.16455	1.8
289.18079	100.0
290.18417	10.5
307.15836	1.2
307.19122	12.1
308.19199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73779	1.8
53.14043	1.8
56.26698	1.9
56.40786	2.1
57.03449	8.4
59.01378	20.8
69.27390	1.8
70.51631	2.6
70.51986	5.8
71.01390	21.5
79.95740	3.0
80.02672	3.1
81.03450	4.7
82.81999	2.5
83.01365	10.4
83.05019	4.1
90.72321	2.0
95.05045	5.5
97.02961	6.0
97.06610	12.4
98.54733	1.8
102.02916	2.2
103.03986	11.8
106.71716	2.0
109.06626	2.5
111.08228	2.1
119.08704	2.3
121.06631	4.2
123.04508	10.8
123.08136	3.4
125.09706	22.9
135.08136	4.1
137.09695	13.1
141.12862	3.5
149.06046	3.1
157.05067	7.4
163.11307	16.7
165.09206	2.4
165.12849	2.8
170.37668	2.0
171.10323	2.2
177.12823	2.6
181.12450	2.9
185.11835	18.9
191.10739	4.0
191.14410	22.3
195.36089	1.9
205.15773	2.2
207.10320	10.8
209.11838	55.1
210.12201	3.2
211.13440	2.4
225.11380	7.9
226.12022	2.2
245.19096	45.9
246.19411	4.4
247.08173	5.7
263.20126	3.3
271.16983	4.7
275.20154	6.5
289.18082	100.0
290.18469	9.2
307.19153	54.8
307.22766	11.9
308.19266	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	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23470	0.5
59.01381	100.0
60.01707	1.1
63.94519	0.5
68.72114	0.4
71.01385	7.1
71.02320	1.0
72.99300	0.6
74.02460	0.7
79.95770	0.5
85.02962	1.5
87.00939	0.6
89.02448	5.5
94.90781	0.5
95.01435	0.6
98.20237	0.7
101.02444	2.5
103.04012	1.2
113.02428	2.3
119.03500	2.3
120.99657	0.9
127.07661	0.6
133.03006	0.8
135.04526	1.0
146.04622	1.8
151.69385	0.6
157.05106	1.0
158.92587	0.5
159.10255	0.5
161.02440	1.6
161.04536	0.6
166.91319	0.5
179.03490	0.8
211.57431	0.5
225.47592	0.6
307.13977	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	307.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03449	10.6
59.01379	2.5
61.98800	0.5
71.01373	3.2
72.99290	0.7
83.01378	1.4
84.02164	1.6
85.02949	100.0
86.03285	1.7
93.03415	0.6
96.96012	0.6
99.00880	0.9
103.04008	1.1
111.00888	0.5
117.03468	15.6
119.05020	2.0
129.01942	1.8
133.02914	1.5
135.04524	1.4
145.02951	66.6
146.03271	3.0
157.05042	0.8
159.08142	1.2
161.01100	0.7
161.02448	4.6
161.04539	4.9
163.04005	1.9
187.07632	6.3
191.01912	0.7
219.02959	0.9
219.06609	0.5
231.06628	1.1
247.08105	0.5
253.38235	0.5
271.60260	0.5
302.38779	0.5
302.42236	0.5
305.31433	0.4
307.01242	0.4
307.04422	1.0
307.07889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03452	9.9
59.01377	3.3
61.98827	0.5
68.95088	0.3
71.01385	5.3
72.99336	0.6
75.00874	0.9
79.95757	0.4
80.96534	0.5
83.01398	1.0
84.02178	1.7
84.02590	0.3
85.02952	100.0
86.03288	2.2
89.02460	0.5
96.96008	5.3
96.96977	0.4
98.20072	1.7
98.20765	0.5
99.00903	0.6
101.02441	0.6
103.04028	1.8
117.03466	15.9
118.03763	0.4
119.05039	2.0
120.99637	0.4
124.52852	0.3
129.01111	0.3
129.01891	1.8
132.11856	0.3
133.02959	0.6
135.04553	0.6
145.02963	67.2
146.03294	3.7
157.05118	0.7
157.06621	0.4
158.03638	0.4
159.08195	1.8
161.02444	0.9
161.04559	5.8
163.04007	0.9
187.07649	5.6
188.08089	0.6
191.09286	1.8
231.06566	1.8
247.08286	0.6
249.09883	1.4
307.08551	1.0
307.12402	3.4
308.12561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55821	0.8
57.03431	1.6
59.01381	7.9
61.98822	1.7
69.36642	1.7
69.37051	4.7
71.01382	13.2
72.00919	6.1
72.86806	0.9
73.02934	1.0
79.95732	1.2
80.96511	1.3
85.02934	2.0
92.05072	3.8
96.96028	4.0
98.19861	0.9
98.20434	3.1
99.00896	1.2
101.02464	2.0
103.04006	5.7
116.05049	2.3
118.06621	13.1
128.05067	16.2
131.03758	13.5
133.02934	1.9
135.02748	78.0
144.04547	100.0
145.02965	1.4
145.04878	4.2
146.06117	47.4
146.73981	1.0
147.06390	1.7
157.05051	4.6
160.03998	1.6
161.02425	4.7
170.06110	2.5
172.02753	1.3
172.04054	12.8
173.04535	1.0
179.01717	69.6
188.07162	2.2
190.05086	84.3
191.05412	5.8
207.07742	19.6
208.07968	1.2
213.06682	3.6
219.02945	1.5
247.08228	2.6
263.06909	1.0
275.06628	2.6
285.18304	1.0
307.05063	1.6
307.08542	2.6
307.11725	2.0
308.06204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91341	1.1
59.01373	6.6
61.98841	2.8
66.99079	1.2
67.97179	1.4
70.02976	5.5
71.01378	7.7
71.51752	1.1
71.52241	1.8
74.00693	1.3
74.99104	1.4
79.95740	3.0
80.96507	4.2
85.02958	3.4
85.92191	1.3
87.01986	2.1
87.05639	93.6
91.05519	1.5
96.89771	1.3
96.96017	4.9
97.04073	74.8
98.04468	1.8
99.05636	2.6
100.04028	1.2
103.04014	4.5
113.03574	39.8
115.05143	10.7
118.06628	1.5
128.03572	1.6
140.04662	17.6
141.03070	2.3
143.04628	8.8
157.05034	2.2
158.05705	25.8
161.02419	2.2
190.05122	1.8
191.12030	1.7
217.05983	1.5
217.09814	2.7
244.10896	100.0
245.11215	7.0
247.08180	2.3
262.11954	57.2
263.12302	3.6
306.10944	31.3
307.05228	1.3
307.08502	3.4
307.11557	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	306.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47784	1.4
52.30198	1.5
57.03435	1.2
59.01386	11.1
61.98830	100.0
70.05187	4.6
71.01382	11.2
71.42960	1.1
74.31503	1.2
78.64910	1.3
85.02959	2.3
96.96002	2.3
99.05668	1.6
100.04046	1.4
103.04013	3.8
111.00832	1.3
119.48225	1.3
128.03490	3.6
143.04665	3.9
157.05156	2.0
173.02698	1.3
247.08200	1.9
250.47523	1.3
254.07681	1.6
262.55508	1.3
306.07468	2.2
307.08347	2.4
307.12024	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32865	1.0
57.03451	2.4
59.01381	5.6
59.36917	1.0
61.46783	1.0
71.05020	48.7
71.35603	1.5
80.02658	1.1
81.03448	3.5
83.05022	3.2
92.38184	1.0
93.03454	2.9
95.05025	18.2
95.06007	1.1
97.02934	1.5
97.06577	1.2
106.04247	2.7
107.05042	2.3
109.02929	2.0
109.06593	18.6
110.03703	1.1
110.06900	1.2
111.04519	2.7
119.05025	1.3
121.06615	5.6
123.08197	1.4
127.07668	2.4
133.06612	1.7
135.08156	2.8
139.07603	1.6
147.04472	2.4
147.08163	3.3
149.05991	1.6
149.09714	1.5
153.09253	1.3
161.06055	2.7
161.09743	1.7
164.08421	1.8
165.09215	12.8
189.12842	15.3
190.13159	1.3
203.14330	1.8
205.15924	8.7
206.16179	1.6
231.13853	3.4
233.11829	7.1
235.13258	1.0
243.17514	9.7
245.15616	1.8
249.14940	12.5
255.95596	1.2
261.18588	2.9
269.15421	3.7
284.66223	1.0
287.16534	85.8
288.16873	9.1
289.14539	1.0
305.17566	100.0
306.17862	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	10.3
61.98819	4.7
71.05024	26.0
71.51941	3.3
95.05069	13.2
100.28118	3.3
100.73161	3.3
109.06577	12.3
118.46286	2.7
153.09274	3.4
165.09195	8.0
167.35573	3.1
168.13922	4.0
189.12802	13.7
205.15916	7.6
209.11772	4.9
209.29698	2.9
233.11873	7.1
243.17505	11.2
249.14893	8.2
273.76666	2.7
287.13440	3.3
287.16528	59.4
288.16867	4.8
305.13995	5.0
305.17560	100.0
306.17780	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01372	4.1
61.74932	1.3
61.98836	1.8
62.26714	1.2
81.03457	1.9
82.83206	1.4
93.03464	1.4
95.05009	1.7
97.06573	3.5
109.06630	3.3
119.04971	2.1
120.05810	5.2
121.06594	2.6
123.04509	3.8
123.08140	3.1
125.09724	11.0
135.08160	36.9
141.12848	2.9
147.04472	2.0
161.06081	2.3
161.09752	3.2
163.11301	4.5
175.07703	4.8
179.10768	2.9
179.29861	1.5
185.11816	34.7
186.12183	2.4
189.12878	5.1
207.13876	1.7
209.11905	2.1
223.13391	1.8
229.76927	1.6
236.10669	1.5
243.17528	20.5
245.15552	2.5
258.47736	1.5
261.18607	5.1
269.15344	3.1
273.18643	2.7
286.99039	1.4
287.16522	54.4
288.16852	3.8
305.17599	100.0
305.21136	8.8
306.17957	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01366	4.0
69.03451	1.1
69.85435	2.7
69.85828	2.0
69.86725	1.3
71.05022	29.2
81.03466	2.4
83.05022	1.7
91.56407	1.1
93.03458	2.5
95.05020	11.6
97.06596	1.1
98.20013	2.4
102.68612	1.2
106.04241	1.8
107.05000	2.2
109.06586	11.0
111.04548	2.6
121.06593	4.5
122.03744	2.0
123.04512	1.1
123.92880	1.0
125.09741	2.2
127.07635	1.1
135.08167	9.6
137.09665	1.3
147.04503	1.9
147.08144	2.1
161.06058	2.6
161.09731	2.2
165.09225	7.0
175.07594	1.6
185.11786	6.6
189.12849	11.2
205.16057	6.2
215.10762	1.4
231.13878	1.5
233.11838	5.4
243.17540	10.7
244.17744	1.6
245.15588	1.2
249.14952	9.4
261.18768	3.0
266.68747	1.1
269.15518	2.7
287.16528	62.9
288.16919	4.8
305.17578	100.0
306.17963	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
51.70203	0.5
57.03432	1.6
59.01383	3.6
68.30977	0.5
69.03439	0.5
71.05021	28.2
73.40811	0.6
80.02678	0.8
81.03461	2.3
83.05026	1.2
87.71005	0.5
93.03474	3.1
95.05029	14.9
97.02958	0.5
97.06577	1.1
98.03706	0.8
106.04264	1.1
106.08303	0.5
106.28945	0.5
107.05050	1.5
109.02925	1.1
109.06594	12.2
111.04512	1.6
119.05000	1.6
119.87095	0.5
121.02901	0.6
121.06584	4.4
123.04553	1.5
123.08202	0.9
125.09734	1.3
127.07645	1.8
135.08199	4.5
135.75752	0.5
136.05315	0.6
139.07626	0.9
147.04527	2.0
147.08150	2.3
149.06067	1.2
149.09644	1.5
150.06836	1.7
153.09233	1.2
161.06071	1.9
161.09715	1.0
162.06784	0.9
164.08414	1.3
165.09203	10.6
165.12631	0.5
173.09724	0.7
175.07666	0.8
179.14467	0.6
185.11790	2.5
186.10463	0.6
189.12833	11.2
203.14305	0.8
205.15953	7.8
209.11789	0.6
231.13942	1.6
233.11835	5.8
235.13618	0.6
243.17502	8.7
244.17874	0.7
245.15347	0.8
249.14938	9.8
255.96152	0.5
261.18591	1.9
263.16663	1.3
269.15442	2.7
286.47421	0.6
287.16525	62.1
288.16830	6.4
305.17578	100.0
306.17914	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03442	5.5
59.01377	5.2
69.03456	1.6
71.05012	2.8
81.03458	1.9
83.05070	1.0
93.03475	2.3
95.05022	2.7
96.50237	0.9
97.02956	1.1
97.06602	4.1
98.20710	1.5
107.05001	0.9
109.06578	3.1
117.07069	2.0
119.05000	2.6
120.05833	8.0
121.06580	1.7
123.04526	6.0
123.08154	3.9
125.06105	0.9
125.09723	19.1
133.06575	1.1
135.08159	50.8
136.08479	2.8
137.06119	1.0
137.09712	2.4
139.11316	1.0
141.12822	3.2
147.04506	2.8
149.09785	1.0
160.08899	2.5
161.06064	2.4
161.09714	2.8
165.09187	1.9
175.07632	5.8
177.09296	1.4
179.10658	1.5
185.11821	53.4
186.12143	2.1
189.12802	7.0
207.13956	1.0
209.12024	1.0
211.13240	1.2
223.09776	0.9
225.23885	1.0
243.17513	27.7
243.20010	1.4
244.17921	2.6
245.15414	1.9
249.14862	0.9
259.16730	1.4
261.18594	2.4
263.16418	1.7
269.15347	4.7
287.16528	73.1
288.16794	6.2
292.54596	0.8
305.17566	100.0
306.17877	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	305.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59514	2.0
57.98433	2.3
59.01378	23.0
69.58866	14.8
71.01398	3.3
72.33364	2.2
72.99342	3.2
73.02952	21.3
79.05549	2.9
85.02954	8.1
85.06590	10.2
89.02425	4.0
90.46984	2.3
95.05024	5.7
96.95995	2.3
97.06580	41.0
98.06950	3.1
98.19906	4.3
98.20502	5.6
101.02402	2.7
109.06568	6.9
113.06104	5.2
115.07658	12.3
125.06096	21.9
127.07652	5.9
138.05617	2.5
141.05566	3.8
145.08713	100.0
146.09071	2.8
207.13980	2.7
211.20212	2.4
243.16032	4.0
261.17029	24.7
281.91629	2.6
305.12506	6.0
305.16013	54.1
306.16507	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	cis-Dihydroquercetin
Peak:m/z	Relative Intensity
52.72950	0.8
55.83442	0.8
56.24106	0.7
57.03446	16.9
59.01381	7.5
61.98830	0.9
63.02381	1.0
65.00314	3.3
67.68403	0.8
71.01386	1.3
71.51704	1.1
71.52077	0.9
78.13148	0.8
81.03475	1.1
83.01394	7.2
85.02951	1.2
93.03472	1.4
96.96010	2.2
97.06550	1.1
105.03429	1.1
107.01366	3.3
109.02939	3.1
111.00887	1.5
112.95428	0.8
115.01850	0.8
115.07838	0.7
120.99637	2.6
121.02940	2.0
123.04523	6.8
124.01621	2.0
125.02444	100.0
126.02808	2.5
135.04565	1.0
137.02426	2.2
139.03993	2.3
145.02861	1.0
146.03712	1.4
147.04543	2.0
149.02423	5.7
150.03220	6.4
151.00383	10.2
151.03996	10.8
152.01198	4.8
153.01935	7.9
161.02527	1.1
165.05573	1.3
171.04517	1.2
173.02422	0.9
174.03215	3.9
175.03986	16.1
176.04300	1.1
177.01921	20.7
178.99876	9.8
181.01463	1.7
185.06036	1.1
188.04811	1.9
189.05630	4.5
193.05022	2.4
197.05966	0.9
199.03966	9.5
201.01894	3.5
213.05486	1.2
216.04253	1.1
217.05046	8.9
218.05362	0.9
231.06511	1.8
241.05061	7.1
243.02856	1.0
257.04431	1.6
259.06082	7.5
261.13498	0.9
268.26031	0.9
275.05646	5.4
285.04025	65.9
286.04382	5.7
303.05090	12.7
303.08768	1.4
303.14331	2.1
303.18130	0.8
303.19571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11311	1.1
59.01372	5.3
60.12065	1.5
61.98834	1.6
68.01419	8.4
68.99816	5.8
70.02992	3.6
71.01385	2.7
84.16349	1.2
85.02986	1.3
92.89123	1.3
96.00916	4.8
97.01684	5.8
98.02480	63.2
110.02478	15.0
116.05058	19.6
128.03505	1.3
130.05098	12.5
142.06667	1.5
181.08638	1.4
227.08264	100.0
228.08601	5.1
259.10828	2.1
303.01706	1.5
303.08908	1.5
303.18442	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	303.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
57.28100	0.5
59.01374	2.9
61.98818	1.0
68.01409	1.7
68.99815	1.6
70.02982	0.9
71.01371	0.8
71.51706	0.6
72.00910	9.2
74.02470	11.8
81.62442	0.4
84.00909	0.6
85.02951	2.0
86.12856	0.4
88.64358	0.4
96.00902	0.9
96.96020	0.5
97.01678	0.4
97.54718	0.5
98.02471	9.2
101.02460	0.4
111.00864	0.5
116.05062	36.1
117.05402	1.8
118.06636	0.9
123.74922	0.5
125.02448	1.6
126.90538	0.4
130.06616	1.4
142.06616	10.3
143.06937	0.6
157.07648	0.9
159.09273	8.9
160.09590	0.5
186.05513	2.2
198.84818	0.4
203.08257	100.0
204.08565	4.8
221.19064	0.5
227.08249	41.3
228.08719	2.3
229.06151	0.8
231.03053	0.6
259.02350	0.9
271.07336	0.5
284.97571	0.7
285.00449	3.6
303.01529	2.5
303.09717	2.1
303.18979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	39.6
58.93916	0.3
59.03313	0.6
60.30399	0.3
60.38609	0.2
67.42856	0.2
68.53765	0.2
71.00022	0.5
168.13942	100.0
169.14291	5.1
212.12875	2.9
213.13326	0.3
241.39200	0.2
304.16150	0.4
304.19159	1.2
305.17395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59547	2.1
57.03428	2.8
57.45453	2.2
59.01377	47.7
59.66194	2.1
60.23125	2.4
70.02982	9.5
70.07777	9.4
71.01379	8.2
71.05022	2.7
72.04536	5.3
72.99319	3.5
73.98275	2.4
74.02472	100.0
80.96492	2.3
81.03458	5.4
81.30675	2.3
85.02953	7.5
89.02458	5.1
91.27022	2.2
96.96018	5.0
97.06604	2.7
98.02469	17.6
99.04506	10.3
101.02424	3.2
109.02984	3.0
113.02438	3.3
116.03540	65.5
125.02457	12.5
125.06057	2.7
128.03522	11.3
132.04558	34.1
137.02435	4.7
143.07076	5.4
144.04543	8.0
145.08682	6.3
158.06090	2.3
161.02438	7.5
184.90451	2.7
201.06723	15.1
219.07768	4.8
259.19806	2.3
261.08813	36.7
262.08957	2.2
287.14713	2.3
305.03394	3.0
305.06735	10.3
305.12393	8.7
305.16034	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	302.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75002	0.8
57.03450	4.9
59.01372	2.6
65.85618	0.7
67.01873	1.6
70.13520	0.7
71.01376	2.5
71.08949	1.2
72.99306	9.7
73.02940	4.1
74.96178	1.9
75.00874	1.1
78.95899	3.7
85.02950	29.4
86.96986	3.1
87.00875	56.6
88.01213	1.7
88.97769	5.0
88.98794	2.1
92.92793	6.4
93.98293	0.6
94.92519	4.6
96.92229	0.8
96.96016	11.1
96.96968	2.6
99.00899	3.8
101.02434	1.6
102.94357	1.2
103.04023	1.0
103.92027	0.7
110.89885	1.2
111.00880	96.0
112.01229	2.4
112.98746	1.7
115.00406	3.8
115.01061	0.7
115.02016	1.0
117.01936	7.8
117.41855	0.7
126.90507	1.1
126.98868	1.2
127.00099	3.7
128.96754	1.3
129.01941	6.4
130.99944	1.7
133.01418	7.7
136.98566	2.7
139.00134	0.9
141.01733	2.9
142.97505	1.5
143.01561	1.5
151.00136	4.3
154.99788	7.3
160.96222	1.1
166.97487	2.0
166.99658	1.0
169.01138	2.7
171.01025	1.5
173.00908	12.8
191.01970	100.0
192.02307	4.1
194.99089	3.9
198.89729	5.5
198.97368	2.1
210.96449	1.8
212.98338	0.9
213.00191	12.7
213.03638	0.8
228.92969	3.8
228.95186	1.2
228.97548	11.5
230.99898	0.7
231.00824	0.9
231.03107	9.2
302.90875	1.2
303.01645	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01377	100.0
61.25959	0.8
61.29621	0.8
66.12492	0.8
69.48039	1.8
69.48447	5.3
71.01373	2.1
72.64278	0.7
72.99322	1.1
73.02940	1.2
75.00852	0.8
77.47546	0.8
79.95702	1.2
80.96515	1.3
85.02949	2.3
87.00869	1.8
109.02925	1.2
109.06576	0.9
123.00863	2.6
125.02328	0.9
125.06099	1.1
128.03540	1.2
130.08788	1.1
133.02937	1.2
137.02444	6.8
137.06084	3.0
138.03264	4.1
139.03894	1.1
141.01923	1.1
149.02440	1.6
153.05566	2.4
155.03450	1.4
161.09709	1.2
165.01848	2.1
165.09219	7.8
181.05000	2.1
182.02176	2.6
183.01338	1.0
195.06581	2.8
196.03741	1.8
197.04497	7.8
207.02911	4.1
221.02753	0.9
221.11644	0.8
223.13275	1.7
225.07613	1.1
225.11302	1.0
227.03198	1.0
239.05476	2.1
257.13318	0.9
269.06628	3.6
300.99854	2.5
301.03741	2.8
301.08960	3.0
301.12842	6.0
301.16534	1.5
301.21567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97506	0.9
61.98840	0.2
66.74500	0.2
70.51648	0.4
70.51995	0.3
74.99088	0.8
90.40446	0.2
93.00149	0.2
100.28654	0.2
118.96228	0.9
128.04489	0.2
134.99408	5.3
135.00464	0.3
135.99390	0.2
136.97343	1.7
141.07405	0.4
143.05339	1.1
150.98874	0.2
159.08455	1.6
161.06412	5.3
171.18054	0.2
187.04185	0.2
201.04112	0.6
203.05678	3.1
205.03534	1.2
215.05704	1.1
217.07201	82.2
218.07362	6.4
235.08257	0.3
261.06244	0.5
283.12079	0.4
285.13464	33.2
286.13657	3.6
301.16599	100.0
302.16785	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	301.2017
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03454	3.3
59.01372	3.2
61.98820	1.8
70.66783	0.9
70.67107	1.1
71.01403	0.6
78.95901	1.2
79.55775	0.6
83.05003	0.6
96.95973	0.8
97.06559	1.1
99.92575	0.8
113.09703	1.4
115.07654	0.8
125.09699	2.3
145.02954	0.7
151.00430	0.9
153.12843	0.7
183.13861	0.7
187.09738	1.1
221.19087	29.8
222.19444	1.8
237.18634	0.8
239.20212	3.2
254.99199	1.1
257.21201	1.3
265.18069	19.4
266.18484	1.3
283.19122	15.9
284.19437	1.8
286.03854	0.7
300.93951	1.3
301.00107	1.6
301.03311	1.1
301.20163	100.0
302.17404	1.4
302.20432	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	301.0566
Annotation	fludiazepam
Peak:m/z	Relative Intensity
56.53577	0.6
59.01370	1.9
69.03450	2.5
71.01380	0.6
71.50954	0.6
73.19345	0.6
79.01890	1.0
79.95724	0.7
81.03455	1.6
83.01395	1.6
85.02974	0.8
87.00860	0.7
95.01381	0.8
96.35123	0.5
97.02944	2.3
97.90729	0.5
99.00886	0.6
102.16957	0.6
107.01382	1.7
123.00862	3.9
124.01665	15.0
125.02448	48.7
126.02768	1.2
137.02438	0.8
149.98363	1.3
149.99582	26.5
151.00435	3.3
158.36087	0.5
164.29280	0.7
165.01709	0.6
167.03410	0.9
168.00636	66.2
169.01379	6.4
230.03461	5.0
237.92644	0.5
276.74930	0.6
283.04590	6.4
284.04843	0.8
301.05634	100.0
301.21725	1.7
302.02042	3.0
302.05975	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	301.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30483	1.7
53.84798	1.8
55.10328	2.3
57.01888	1.8
59.01374	12.3
61.98834	5.7
70.71712	2.8
70.72056	3.8
71.01394	2.2
78.95926	3.6
93.03481	2.8
99.92526	2.1
107.01379	2.3
108.08184	2.8
119.05019	2.4
123.03361	1.7
136.04021	13.2
136.07675	42.3
137.04843	2.7
138.05569	5.7
145.03006	2.5
162.04842	1.9
163.04044	2.3
164.07243	1.9
178.08728	3.0
180.06636	7.5
198.09259	24.4
199.09961	2.1
214.12375	25.5
221.19090	5.1
225.06837	2.4
230.11798	2.6
239.08197	2.1
240.09055	6.0
243.08932	6.7
254.10646	2.7
255.11276	18.5
258.11334	100.0
259.11563	9.9
265.18063	2.2
268.08502	2.2
283.10892	50.5
283.19208	2.9
284.11356	3.0
301.00064	2.9
301.03482	2.6
301.11887	20.1
301.20032	18.3
302.12366	2.5
302.17444	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	Quercetin
Peak:m/z	Relative Intensity
59.01375	3.2
63.02396	7.7
65.00321	16.2
69.70622	2.6
71.12949	0.5
73.02941	0.6
83.01386	8.4
90.16169	0.4
93.03466	4.9
98.99789	0.4
106.06631	0.7
107.01386	22.9
108.01701	0.8
108.04548	3.8
109.03005	2.1
121.02956	19.9
124.01604	0.8
124.07666	2.1
125.02462	0.9
136.07678	6.9
139.04008	1.4
148.01678	0.5
149.02438	3.1
149.03452	0.5
150.05573	0.8
151.00365	71.8
152.00679	2.5
159.04491	0.7
161.02426	1.3
163.00385	1.0
163.04088	1.1
164.01152	1.9
169.01416	2.0
178.99855	23.7
180.00238	0.5
183.04382	0.5
187.04007	1.0
190.74715	0.4
193.01407	1.2
199.03847	0.6
201.05632	0.8
205.05145	0.5
211.04068	0.5
225.15041	0.6
227.03490	1.0
229.05075	2.0
243.02992	0.6
245.04549	1.9
255.03020	1.2
257.04819	0.5
257.12927	17.5
258.13287	1.1
273.03986	3.1
283.15656	0.5
299.01703	0.7
301.03519	100.0
301.11740	1.8
302.03870	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
57.03434	3.7
58.91427	0.8
59.01379	5.2
63.02395	8.5
65.00330	18.4
65.03916	0.9
68.99818	1.4
69.49289	5.5
79.95741	1.2
80.96500	1.0
81.03458	1.8
83.01383	14.8
84.77811	0.9
85.02955	0.9
93.03458	35.0
94.03801	1.4
95.01369	3.5
95.17629	1.0
98.20642	1.3
103.58459	0.8
107.01392	25.9
107.04987	1.0
108.02177	1.1
108.99311	1.2
109.02934	3.2
111.00850	1.8
117.03490	6.3
119.05015	2.2
121.02959	4.6
123.00882	2.1
124.01680	6.5
125.02446	19.1
128.20697	0.7
135.00880	3.1
135.04539	7.0
137.02420	3.5
139.00340	1.8
143.04962	1.7
145.02933	5.1
149.02419	2.1
151.00371	70.4
152.01170	23.2
153.01952	5.9
157.06740	1.0
159.04488	4.6
160.04787	0.9
161.02448	8.4
161.06084	1.6
163.00375	10.6
163.03972	2.1
164.01135	2.5
167.04909	1.4
169.01401	3.0
171.04498	1.5
173.06023	1.4
177.05515	1.8
178.99861	23.3
181.01485	1.4
183.04561	1.4
183.10298	1.0
185.06038	2.3
187.03885	4.4
189.05611	1.2
191.03511	1.9
199.04005	1.0
201.05579	7.9
205.05009	1.1
206.99362	25.1
208.00099	17.2
211.03885	1.4
213.05646	1.8
215.03506	5.2
227.03477	1.4
229.05011	7.0
241.06186	2.3
244.03549	1.0
245.04530	62.0
246.04868	2.8
255.02950	2.3
257.04559	9.8
272.02747	1.2
273.04041	100.0
274.04507	5.7
283.02438	3.5
300.99847	3.6
301.03464	45.8
301.13000	1.7
301.16516	3.8
301.21521	1.8
302.03784	3.8
311.09720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.259
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
54.16521	0.8
59.01371	1.9
61.92371	0.8
62.29651	0.8
65.60546	0.7
67.65234	0.7
141.12859	2.5
163.00372	0.8
185.00943	1.0
200.04718	1.2
227.03471	1.5
228.04250	1.1
239.03615	1.0
240.04260	2.6
253.25426	1.9
255.02956	2.2
256.03738	1.1
281.24805	1.9
283.02560	1.2
284.03247	30.7
285.03668	2.8
299.05609	20.6
299.20609	15.2
299.25891	100.0
300.05984	1.8
300.26236	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	300.026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00632	0.2
59.01370	0.3
63.02392	1.3
65.00321	2.0
71.00351	0.5
71.00702	0.2
71.93761	0.2
83.01401	0.9
91.01945	0.5
93.03447	0.3
95.01398	0.2
105.01946	0.3
107.01395	3.6
108.02171	3.1
109.02973	1.1
110.21117	0.2
120.02187	0.7
121.02953	1.5
123.00890	0.5
124.01638	0.6
127.05433	0.2
131.76904	0.2
135.00853	1.7
139.04073	0.2
143.05043	0.3
144.30879	0.2
146.03731	0.3
147.00906	0.6
148.01662	4.4
148.02739	0.4
149.02264	0.2
151.00365	6.5
152.01155	0.3
155.04990	0.4
159.04480	0.3
163.00401	2.7
164.01138	1.4
171.04437	1.1
173.02382	0.2
175.03973	0.6
178.99875	2.2
182.03693	0.4
183.04482	1.0
185.02528	0.3
187.04063	1.4
192.00685	0.4
198.03223	1.0
199.04004	4.7
201.01984	1.5
202.02594	0.3
203.03529	1.3
211.03986	2.5
213.01959	0.8
214.02512	0.3
215.03516	2.7
216.04163	0.8
226.02704	2.7
227.03487	7.5
228.03922	0.5
229.01364	0.8
229.04999	0.4
242.02142	0.6
243.02963	20.8
244.03389	1.4
245.04498	0.8
254.02182	2.6
255.02974	33.2
256.03320	2.0
271.02460	75.1
272.02850	6.9
273.03983	0.5
283.02374	0.4
285.03650	0.6
299.02029	1.6
300.02725	100.0
301.03329	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00339	0.5
51.78533	0.2
58.00602	0.3
59.01377	2.6
59.87149	0.2
61.98820	0.3
68.01411	2.7
70.02949	0.2
70.23185	0.2
71.01384	0.8
72.99291	0.4
73.13755	0.2
75.00877	0.4
85.02937	0.3
89.02454	0.3
95.05042	0.3
96.04559	0.6
100.62419	0.2
101.02454	0.5
107.01406	0.3
110.06087	0.4
118.79384	0.2
122.02480	1.0
123.03272	5.6
124.04034	0.3
124.07687	1.0
135.03032	0.7
136.07686	0.7
137.04829	0.9
138.05609	100.0
139.04118	0.3
139.05949	3.3
140.07185	0.3
152.07188	1.5
166.08717	0.5
167.01715	0.7
167.03403	0.2
167.05855	2.4
167.28120	0.2
168.02039	1.9
168.06657	0.7
180.06677	4.9
183.02957	0.8
210.07809	0.5
222.07776	0.2
285.03583	0.8
300.05847	0.5
300.10883	17.4
301.11288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1863
Annotation	Achaetolide
Peak:m/z	Relative Intensity
55.44514	1.7
57.03437	1.8
58.70062	1.7
59.01381	85.5
61.98808	1.5
71.05011	2.9
71.52306	1.9
81.03461	2.8
81.30291	1.7
97.06597	2.0
106.52715	1.8
115.07651	1.8
121.03001	1.8
143.07158	11.6
148.01732	2.2
153.09198	5.7
155.10757	12.1
183.13928	3.6
190.99838	3.6
200.04790	2.4
211.04037	2.7
217.00218	2.8
221.15471	14.1
222.15900	1.6
227.03528	4.6
228.04382	2.6
229.11002	1.8
237.18582	4.0
239.03619	1.9
239.16710	1.8
240.04283	6.2
255.02957	4.7
256.03735	6.4
281.17563	6.1
283.02475	4.7
284.03259	100.0
285.03619	7.0
299.02295	3.6
299.05600	67.6
299.09143	3.7
299.18634	60.7
300.05972	6.9
300.09207	2.1
300.18961	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
57.03440	0.7
57.52989	0.4
59.01379	7.0
60.01685	0.4
64.88246	0.3
65.03948	0.5
71.01378	6.8
72.99299	0.7
73.02948	0.8
75.00852	0.5
76.44554	0.3
83.01363	0.5
85.02952	2.2
87.00880	0.8
89.02429	6.1
93.03455	56.9
94.03803	1.7
95.01362	0.8
96.96034	0.7
99.00872	0.8
101.02429	3.2
105.01928	1.5
108.02167	0.9
113.02438	2.4
118.91351	0.4
119.03525	2.4
119.05038	3.9
121.02937	1.6
122.02509	0.5
123.03266	2.8
123.04541	0.7
128.03485	0.5
133.02954	0.8
135.04535	0.5
135.87611	0.4
136.05336	0.4
137.02441	100.0
138.02763	3.5
138.05605	28.8
149.09752	0.5
149.62907	0.4
151.04039	0.7
151.12735	0.3
152.69495	0.4
161.04517	1.0
163.00372	0.4
167.03514	1.4
172.52910	0.3
179.05597	0.6
190.99904	0.5
211.03949	0.5
227.03452	0.4
228.04227	0.4
239.05641	0.4
240.04198	1.3
255.03116	0.6
255.08650	0.4
281.32626	0.3
283.02448	1.0
284.03250	12.0
285.03632	0.6
299.05032	5.4
299.08163	2.1
299.11667	1.1
299.26114	0.4
300.05817	0.7
300.11029	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	299.056
Annotation	Koparin
Peak:m/z	Relative Intensity
50.47879	0.6
56.18303	0.5
59.01304	4.8
60.05335	0.5
65.00255	2.5
70.60635	0.9
70.60950	1.0
72.99210	0.7
82.54966	0.7
86.70378	0.6
90.23690	0.6
132.02150	1.0
133.02948	0.8
136.98727	2.6
143.05013	0.7
143.07018	1.4
155.10727	1.5
163.00320	1.6
183.01108	2.1
183.04494	0.9
184.05197	1.1
190.99915	3.3
199.03917	1.3
200.04730	2.4
211.03862	2.0
212.04681	1.2
217.00287	1.1
227.03491	4.1
228.04265	3.6
239.03465	2.5
240.04227	9.1
255.03046	4.5
256.03665	2.3
283.02420	6.2
284.03253	100.0
285.03610	8.0
299.05603	61.3
299.09201	3.0
299.18719	2.7
300.05875	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	299.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01749	0.3
52.58527	0.3
59.01368	2.0
61.98860	0.3
67.01359	0.3
68.01411	0.4
69.63287	1.8
71.01380	0.7
79.95684	0.3
87.38863	0.3
89.55376	0.3
91.48486	0.3
95.25189	0.3
99.98402	0.3
101.02400	0.6
107.05014	1.6
107.56161	0.3
109.11428	0.4
110.99084	0.4
111.02751	0.4
120.99667	2.6
121.02946	0.3
122.02522	0.3
123.03262	0.7
123.04546	0.8
131.03453	0.4
133.02957	1.9
134.03775	0.7
134.06160	0.5
135.04509	1.2
136.07674	0.6
137.02399	1.5
138.05612	17.5
139.02229	7.4
140.07141	0.3
150.01453	0.3
151.86076	0.3
167.01715	100.0
168.02061	3.8
177.01810	0.3
179.03516	0.9
180.06627	0.9
181.01422	1.3
200.04802	0.3
201.06624	0.3
211.00702	15.9
212.01028	0.8
240.04277	0.7
255.03302	5.8
256.03540	0.5
283.02600	0.5
284.03238	6.6
285.03534	0.4
288.42542	0.3
299.02237	1.9
299.05649	4.1
299.11258	1.0
299.14844	0.5
300.10876	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	297.1707
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
54.13647	1.2
57.03442	4.3
59.01379	35.4
61.98810	2.9
69.15218	3.3
69.15618	11.7
71.01387	8.8
71.05017	2.7
78.95905	2.5
81.03412	1.9
83.05028	19.7
84.02174	3.0
85.02927	2.8
95.05019	3.0
97.02910	1.6
97.06603	10.7
99.04548	1.5
99.08152	5.0
99.92614	3.0
101.02453	1.5
109.06610	6.7
110.03774	2.0
111.08120	1.7
113.09715	4.2
115.07664	1.8
116.92847	4.8
116.97479	1.3
123.08131	1.7
125.06068	1.5
125.09715	1.7
127.07649	19.0
135.08167	7.1
137.09662	2.5
139.07628	8.5
151.07657	3.3
151.11572	1.5
155.10876	2.2
157.08688	23.8
160.13319	1.6
163.07599	1.9
163.11261	2.1
169.08679	18.8
178.09955	4.5
181.07144	2.8
181.08705	49.3
181.12270	8.0
182.08998	4.1
191.03525	6.6
207.64909	1.3
208.07384	1.4
210.08955	34.8
217.15985	10.8
218.16315	1.5
219.13815	2.3
228.09912	3.1
235.17023	9.8
237.09738	2.2
237.14903	1.5
253.18086	1.6
261.14877	6.1
279.16006	100.0
280.16318	8.0
297.04364	2.1
297.07571	1.7
297.17041	70.5
297.24100	7.1
298.17242	4.9
319.29111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
69.52112	1.7
70.66969	0.3
75.62573	0.2
88.06754	0.3
90.23577	0.2
106.06624	10.4
108.08202	1.7
121.05358	0.5
134.06122	100.0
135.06473	4.6
136.04092	2.0
136.07681	46.4
137.08022	1.7
139.14873	0.2
152.03510	0.4
195.82538	0.3
237.09889	0.3
253.09737	0.3
253.13428	0.5
269.12921	0.7
279.40240	0.3
282.10068	1.1
297.12424	51.1
297.24329	0.8
298.12735	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	297.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.6
60.10167	0.5
63.96243	0.4
70.44053	0.5
70.44375	1.0
71.01383	1.9
72.99311	2.9
75.00874	30.9
76.97041	0.4
78.91907	0.6
85.02946	0.9
87.00874	0.5
89.02438	2.2
93.03465	5.3
96.95988	0.5
103.44058	0.4
115.00356	0.6
117.01945	3.6
119.05008	1.0
122.39660	0.4
127.63884	0.4
132.99622	0.5
133.02945	1.0
135.02998	100.0
135.04474	9.1
136.03340	2.6
145.02924	0.7
161.02441	2.6
163.03938	0.8
179.03473	3.6
181.63588	0.4
226.99323	0.4
234.98666	0.5
296.98917	0.5
297.06256	2.3
297.09738	0.9
297.24329	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	297.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	37.5
69.40075	91.1
69.44533	11.0
72.67831	11.8
79.36682	11.9
79.95726	15.5
96.96016	100.0
135.03023	24.7
162.35811	12.1
179.07121	13.9
297.04211	13.6
297.10016	74.3
297.13266	28.8
297.24445	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	297.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78394	0.2
59.01378	3.2
61.10928	0.2
71.01385	2.3
71.50629	0.3
73.02928	0.3
75.00871	0.5
83.66707	0.2
85.02951	0.6
87.00873	0.2
89.02443	2.2
89.49754	0.2
92.02682	0.6
93.03458	100.0
94.03788	3.2
95.01395	1.4
99.74474	0.2
101.02452	0.5
103.00379	0.4
107.05061	0.5
108.02181	1.5
113.02399	0.5
119.03453	0.3
121.02918	0.3
121.08091	0.2
125.26211	0.2
135.04517	0.8
135.06618	0.3
137.02441	6.5
137.03514	0.3
161.04553	0.3
165.01926	3.9
207.02922	1.0
225.07672	3.7
237.09744	0.3
269.06577	0.9
297.06140	8.2
297.11337	0.4
298.06494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
59.01389	1.4
70.51918	0.3
70.52251	0.6
71.01385	0.3
72.99299	0.3
73.82078	0.2
75.00874	0.3
77.65765	0.3
83.01334	0.2
84.42864	0.3
85.02956	0.7
96.47403	0.3
96.96007	0.8
104.02682	1.0
105.03453	0.4
109.01199	0.4
120.99608	0.6
121.01113	0.3
121.02945	0.5
135.03003	0.4
135.04521	1.3
137.00676	1.1
148.01662	2.2
149.02452	2.3
155.21118	0.2
155.57660	0.3
165.00151	9.8
165.09195	0.4
166.00583	0.3
176.01141	24.9
177.01820	2.1
180.99629	0.6
182.20567	0.2
208.99123	100.0
209.99435	4.4
210.29677	0.3
253.10747	0.3
297.00723	6.4
297.06287	0.3
297.09766	0.8
297.13422	0.7
297.24414	0.7
298.01071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36932	0.3
59.01377	2.6
69.35852	1.2
69.36284	1.1
71.01380	0.9
72.99294	2.6
75.00871	30.1
87.00848	0.4
89.02416	1.8
93.03464	1.9
98.20658	0.7
115.00381	0.5
117.01950	4.2
133.02945	0.9
135.02997	100.0
135.04439	4.8
136.03293	2.0
161.02461	2.0
179.03499	3.7
195.27306	0.3
241.07542	0.3
259.49527	0.3
279.36279	0.3
297.06174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.20932	0.5
57.03441	1.2
59.01377	3.3
62.23888	0.5
64.23756	0.5
65.89005	0.5
71.01392	1.0
98.20655	2.0
98.26125	0.7
113.09754	2.9
124.45627	0.6
145.54376	0.6
179.14354	0.9
195.13910	17.6
196.14232	0.6
259.20349	0.7
277.21738	20.0
278.22061	1.6
295.22778	100.0
296.23117	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	295.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50115	0.5
58.67536	0.5
59.01379	100.0
60.01718	0.8
61.98834	1.4
63.17243	0.6
69.33476	2.1
69.33904	2.1
69.69266	0.6
70.92380	0.5
71.01388	1.7
85.02943	0.9
95.95248	1.9
96.96016	2.0
112.98563	0.7
133.01437	1.4
146.64250	0.6
147.32986	0.5
150.43878	0.5
162.74115	0.5
191.14256	0.5
199.76082	0.6
215.16393	0.6
251.12665	0.5
295.12128	2.5
295.15552	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	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59705	0.5
57.03440	0.6
59.01379	100.0
60.01710	0.6
61.98830	2.4
71.01372	3.3
71.50776	0.8
72.99299	0.8
73.02977	0.6
85.02962	3.6
89.02482	0.5
96.96010	11.1
101.02467	1.6
113.02434	0.7
114.49993	0.5
115.00385	0.8
119.05064	0.8
121.02949	1.3
129.01915	0.9
133.01489	1.6
135.04604	0.9
161.04552	0.8
163.04103	0.9
215.12982	1.1
223.63251	0.5
235.11859	4.0
295.05316	1.2
295.08560	7.7
295.11792	0.6
296.05597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01728	0.9
60.83310	0.7
71.01382	7.1
71.50624	0.7
72.99313	1.1
83.01407	0.9
85.02957	2.7
88.04080	1.0
89.02476	2.3
96.96075	0.7
101.02484	2.0
103.08516	0.8
113.02467	1.1
115.00385	3.1
119.05061	2.9
132.03044	2.4
133.01476	2.3
147.04498	0.7
163.04001	3.1
177.02010	0.8
231.72655	0.7
235.11894	3.8
236.99591	0.8
295.08395	0.9
295.12891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32304	0.6
55.26601	0.7
57.03459	1.2
58.00596	3.3
59.01379	84.4
71.01382	38.4
71.01786	1.8
72.01719	1.2
72.99310	3.0
73.02950	1.1
75.00882	0.9
80.96528	1.0
83.01386	2.0
85.02950	7.5
87.00846	1.5
88.98794	1.8
89.02445	47.7
95.01410	3.8
98.20628	2.4
101.02439	24.5
103.00380	0.8
113.02448	15.3
119.03495	19.4
130.59067	0.8
131.03534	1.2
133.05093	1.7
143.03416	0.9
149.04590	1.4
161.04517	1.7
179.05627	2.8
295.10339	100.0
296.10522	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	295.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01375	14.4
61.98829	1.4
69.47614	6.2
70.10915	0.8
71.01369	2.2
72.99287	1.6
79.95737	37.4
79.96210	2.0
85.02940	1.9
87.00858	1.0
89.02437	0.9
95.95225	8.1
96.96013	59.8
97.50018	0.9
98.20334	3.1
110.97579	100.0
151.00681	1.8
207.06931	3.7
207.13869	1.6
235.06352	2.0
235.08434	0.9
251.12830	1.2
254.21153	0.8
295.08588	71.8
295.11816	6.2
295.15530	3.0
295.22665	1.1
296.08896	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	295.0457
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
52.98244	0.4
56.59177	0.4
57.03443	1.3
59.01377	5.3
61.98811	1.1
70.76682	0.5
70.77029	1.0
71.01382	14.7
72.99316	3.5
73.44814	0.4
78.95905	0.5
79.95735	0.5
83.01391	0.8
85.02951	4.0
87.00890	0.7
89.02448	2.6
96.96008	0.9
101.02389	0.6
111.00900	1.1
115.00369	41.5
116.00708	0.8
119.05074	0.5
121.02962	4.0
129.01938	0.9
133.01427	100.0
134.01775	2.0
134.03722	1.0
135.04523	14.3
161.02501	0.5
161.04633	0.6
161.06093	0.5
163.03989	1.0
165.01936	0.4
179.03491	13.5
189.05602	1.0
207.10341	0.5
251.05661	0.8
251.09210	0.5
295.04929	0.8
295.08359	1.5
295.11838	0.9
316.64615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52068	0.4
57.03431	1.4
59.01379	3.9
69.13947	3.3
71.01370	1.4
71.05009	0.5
73.02949	1.1
73.65571	0.3
77.62334	0.3
78.09045	0.3
79.95735	2.2
80.75672	0.3
80.96516	3.9
83.05017	0.5
85.02949	7.5
87.00867	0.9
87.04520	1.0
89.02464	0.4
95.05051	0.5
96.96013	100.0
97.95951	0.4
97.99214	0.3
98.20786	0.6
101.02444	0.4
104.07888	0.3
109.02956	0.3
111.00864	0.4
111.04620	0.4
113.02448	0.4
113.06116	0.4
115.00351	0.3
119.05050	1.2
121.02951	0.7
125.09741	0.5
129.01932	1.0
133.01395	0.8
135.04543	0.5
149.04616	0.5
151.11295	0.4
163.03989	0.9
163.11394	0.5
169.12393	2.0
173.06119	0.3
189.12837	1.1
197.11836	0.8
197.33324	0.3
207.13866	0.5
209.04892	2.9
215.12877	13.1
216.13213	0.7
233.08540	1.0
251.09451	1.2
251.12869	1.9
277.07544	0.9
295.08569	74.1
295.11496	2.9
296.08829	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	295.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00991	0.4
58.26332	0.4
59.01370	0.9
70.99562	1.0
71.05011	0.6
73.02956	0.3
79.95747	1.4
94.31379	0.4
96.96010	100.0
111.08182	2.0
114.87164	0.3
145.73289	0.4
163.04053	0.4
169.12314	1.4
197.11829	5.4
198.12192	0.4
198.63847	0.4
215.12863	27.6
216.13179	1.3
232.80310	0.4
233.08513	1.8
249.08116	0.5
272.99512	0.3
277.04483	0.7
277.07501	13.5
295.08545	50.9
296.08914	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	295.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.2
59.01371	2.7
68.99832	2.7
70.56809	8.1
71.01387	16.5
71.01711	3.0
73.02937	4.0
75.00875	71.9
83.01378	3.7
85.02952	5.5
87.00853	2.4
88.98808	9.4
99.00882	15.1
103.00373	100.0
111.00880	19.8
112.98817	40.9
129.01898	10.9
142.99849	13.2
173.00941	26.2
291.81714	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	295.0459
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
59.01381	13.3
59.01668	0.5
61.37940	0.4
71.01380	4.4
72.99310	1.4
73.02925	0.7
74.99089	1.1
76.28950	0.6
80.96507	0.9
85.02956	2.4
87.00877	7.0
89.02446	1.6
93.03497	0.6
96.77551	0.6
96.96001	0.6
99.00869	1.2
103.00381	2.9
104.61558	0.6
109.02981	1.3
112.03870	0.5
112.98808	8.0
115.00347	1.5
119.05029	53.5
120.05383	1.4
129.56960	0.6
133.01419	3.1
133.03030	1.5
135.04506	1.3
136.99153	1.2
145.03053	0.6
149.00897	1.4
163.04007	100.0
164.04372	4.5
177.01878	0.5
177.05449	0.7
181.30867	0.6
203.03418	0.9
295.04761	3.2
295.08530	1.3
318.79782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
56.73414	0.3
57.03444	1.1
59.01374	2.2
61.98829	0.6
68.45387	0.4
70.57252	0.5
70.57606	1.0
71.01366	0.5
71.05025	0.4
96.96024	1.6
97.06596	0.7
99.77412	0.4
103.21946	0.3
111.63731	0.4
113.09776	0.4
123.08168	1.0
125.09732	3.3
126.10091	0.4
127.11343	0.6
141.12848	1.0
142.31499	0.4
148.77834	0.3
149.09721	1.8
162.50362	0.4
165.12813	0.4
166.65399	0.4
167.14378	0.5
185.11833	7.3
192.11519	0.5
193.15825	0.8
197.11772	2.5
220.14644	2.7
221.15469	4.6
236.10536	3.8
249.22125	1.0
261.18433	0.4
275.20200	0.6
293.21210	100.0
294.21576	8.8
294.24991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89811	0.4
57.03447	5.1
59.01386	2.2
70.51651	1.3
75.85499	0.4
83.05028	0.7
85.39732	0.4
96.95975	0.5
97.06575	0.9
102.92430	0.5
104.51591	0.5
106.98930	0.4
109.06562	0.7
113.09730	19.7
114.10100	0.8
139.11290	1.8
167.10777	2.5
177.12854	0.9
179.10709	2.0
195.13921	2.9
220.14615	0.9
221.15480	0.9
221.44460	0.4
236.10455	0.9
249.22177	2.7
262.96854	0.5
275.20178	0.5
293.21222	100.0
294.21555	9.7
309.81082	0.4
313.12296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
58.19505	0.3
59.01382	0.9
61.98815	0.4
69.03443	0.3
70.03281	0.3
71.01385	0.5
71.50519	0.3
71.50849	0.5
73.04504	0.4
73.78048	0.3
85.02956	0.9
96.95990	1.7
99.08740	0.3
109.06588	0.7
111.08153	0.6
125.09725	0.7
136.08917	0.4
165.12807	2.6
179.14383	0.4
181.12372	0.4
181.15935	0.5
191.14409	0.7
192.11526	0.7
193.15956	0.8
195.13812	0.4
205.16042	0.3
220.14766	1.8
221.15431	4.0
225.14958	0.5
236.10579	2.1
249.22163	0.6
272.50146	0.3
275.20157	1.0
293.21210	100.0
294.21542	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.06537	0.9
59.01361	0.7
61.43747	0.7
71.27720	1.7
71.28058	1.0
81.97919	0.9
88.81512	0.8
89.11086	0.8
94.89934	0.7
116.40320	0.8
131.47746	0.7
179.14453	1.8
185.33540	0.8
195.13878	13.6
196.14500	1.4
223.13370	11.5
224.13983	1.2
228.13730	1.3
256.13150	4.5
275.20142	8.3
286.12482	0.8
293.21222	100.0
294.21558	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07538	0.5
61.22939	0.5
69.95738	0.4
70.65711	1.3
77.02563	0.4
77.76947	0.5
78.95885	0.5
81.03432	0.6
87.93568	0.4
128.82788	0.6
140.98814	0.5
149.09663	0.8
165.12804	0.5
221.15417	0.8
225.14928	1.5
249.22290	0.7
267.40686	0.5
273.12018	0.5
286.68140	0.5
293.21198	100.0
294.21530	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19933	0.2
64.11309	0.3
69.72852	1.4
71.01382	8.4
89.10046	0.2
98.19781	0.3
99.78063	0.2
126.43081	0.2
127.07642	1.0
140.15982	0.2
148.05292	1.4
164.08412	1.2
177.09210	5.1
178.09555	0.3
190.09969	0.3
192.11549	6.7
193.12085	0.7
205.12329	6.2
206.12747	0.3
207.13861	1.1
217.08656	0.7
218.09489	1.9
220.14673	47.2
221.15448	100.0
222.15785	6.3
235.13390	1.0
236.10524	70.7
237.10899	4.1
293.17603	11.0
293.20844	0.4
294.17935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51802	0.4
55.01872	1.8
57.03446	5.6
58.00590	1.5
59.01380	39.6
60.01741	0.5
69.94039	1.3
69.94444	1.1
71.01382	22.7
72.99309	4.0
73.02935	1.6
73.67886	0.4
75.00883	1.0
83.01389	2.7
84.02165	1.5
85.02951	65.4
85.06590	9.3
86.03297	1.0
87.00881	1.7
89.02444	19.5
95.01391	1.8
96.96025	1.4
98.20220	1.0
99.00872	0.9
101.02445	15.0
101.03110	0.8
101.06109	0.5
103.00401	0.5
113.02450	7.5
113.06069	2.4
115.07645	1.4
117.03461	5.1
119.03516	8.2
119.04987	3.5
120.05440	0.5
121.03004	0.5
127.07637	1.6
129.01924	0.8
131.03470	0.8
131.07143	40.1
132.07449	0.8
133.02943	0.5
139.05400	0.4
145.02957	23.6
146.03317	1.2
146.04535	0.4
147.02995	30.4
148.03352	0.7
154.37837	0.4
161.04576	1.3
163.03998	1.7
173.08162	1.7
179.05612	1.0
249.08086	0.5
293.06876	3.6
293.12418	100.0
294.12778	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
58.00579	1.7
58.14327	1.1
59.01379	100.0
59.93172	1.1
69.73782	2.8
69.74190	2.8
71.01379	51.1
72.99300	4.8
73.02937	1.7
83.01380	3.1
85.02956	18.4
85.06599	1.1
87.00880	2.3
89.02444	67.4
89.86236	1.0
95.01399	3.0
96.95991	1.8
99.00887	1.5
101.01804	2.0
101.02444	35.0
109.78701	1.2
113.02444	21.3
113.06091	2.1
117.48670	1.2
119.02670	1.8
119.03503	33.0
131.03500	2.7
131.07120	6.8
143.03473	2.3
145.02939	3.6
147.02983	2.5
148.80899	1.2
149.04474	1.5
161.04582	2.7
179.05676	2.8
293.12408	58.5
294.12711	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47693	0.7
52.48490	0.6
52.93601	0.6
55.01874	2.2
57.03451	8.3
58.00586	2.9
59.01379	80.6
70.99330	0.8
71.01381	42.5
72.99299	6.1
83.01398	3.6
83.94672	0.7
84.02149	2.5
85.02950	100.0
86.03274	2.2
87.00858	0.9
89.02444	50.9
95.01378	2.8
98.85314	0.6
101.02444	25.3
102.02771	0.6
103.00367	1.1
113.02452	18.7
113.06090	1.8
117.03483	4.8
119.03501	26.3
119.04866	3.1
128.52844	0.6
129.01971	0.8
131.03531	1.6
131.07123	4.0
143.03510	1.4
145.02953	18.5
146.03278	0.8
147.02997	50.5
148.03287	1.4
149.04550	1.3
159.89529	0.8
161.04503	1.4
163.04008	1.7
175.16234	0.9
179.05554	2.4
179.81384	0.6
200.30830	0.7
293.07010	1.8
293.12411	60.3
294.12729	3.3
307.40250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84291	0.2
66.14386	0.2
69.29157	1.5
79.95729	1.9
80.78838	0.2
95.95264	0.4
96.96011	100.0
97.95975	0.4
98.20016	0.6
101.71364	0.2
110.97580	5.7
158.10313	0.2
173.73839	0.2
214.84621	0.2
293.10648	47.8
294.10977	3.3
295.15329	0.2
314.46021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72050	0.5
55.01891	0.5
57.03447	0.6
59.01374	1.6
62.81073	0.4
69.54855	2.3
71.01368	1.6
73.02948	0.8
79.95731	12.8
80.96518	5.6
82.58973	0.4
83.01385	0.5
85.02938	1.8
87.04506	0.8
96.96011	100.0
99.47235	0.4
101.02441	0.7
117.03447	0.7
119.05019	1.1
122.12717	0.4
125.09710	1.8
133.02953	2.3
135.04485	1.2
137.02425	0.6
139.11292	0.6
145.02943	2.0
161.02431	6.1
163.03970	0.8
175.07796	0.4
185.11932	0.5
205.12234	0.6
213.09261	1.1
213.11308	21.9
214.11588	1.0
231.13840	0.5
249.07953	0.9
249.11368	1.0
293.07001	79.0
293.13980	1.6
294.07376	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	293.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
57.03452	9.2
59.01374	5.6
63.43803	0.6
64.99715	0.8
69.53708	1.6
69.54116	2.9
71.01379	3.3
72.00906	0.8
72.99303	2.1
73.02953	0.7
73.17967	0.7
79.95736	0.8
83.01387	1.4
84.02168	2.4
85.02950	100.0
86.03305	2.1
96.96003	8.2
98.20663	0.7
101.02467	1.0
103.00356	0.9
104.09717	0.7
116.05006	0.7
117.03455	10.1
118.06623	1.6
119.05010	3.9
121.02943	1.4
128.05074	4.1
129.01933	1.1
131.03777	2.5
133.06746	0.7
144.04549	18.7
145.02956	46.3
146.03305	1.5
146.06129	8.9
147.02991	52.8
148.03323	1.6
161.02466	0.9
163.04033	1.4
164.11412	0.7
172.04065	1.6
187.07629	0.7
190.05086	15.7
190.06627	1.2
191.05431	0.8
207.07793	1.0
213.11273	1.8
231.06636	1.0
249.08249	1.0
257.04056	0.8
293.06860	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03450	9.5
59.01379	3.6
68.99812	0.7
69.77452	0.4
69.77866	0.7
71.01380	4.0
72.99311	4.8
75.00870	0.4
83.01382	1.5
84.02163	2.0
85.02952	100.0
86.03283	1.9
96.96012	0.5
98.19998	0.5
98.20605	0.4
101.02493	0.3
103.00375	0.9
103.34031	0.2
113.02380	0.2
117.02652	0.5
117.03463	7.9
119.05032	5.0
119.05755	0.1
129.01950	0.6
131.85138	0.2
145.02957	41.2
146.03313	2.0
147.02997	51.4
148.03357	1.4
163.04036	2.1
187.07646	0.8
231.06755	0.5
293.03583	0.4
293.06674	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	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58453	0.7
54.76567	0.6
55.01876	2.9
57.03449	10.4
58.89773	0.6
59.01387	1.2
62.06824	0.6
68.99813	1.8
69.73531	3.5
69.73823	0.7
71.01387	3.0
73.02946	2.5
83.01388	2.5
84.02165	3.9
85.02950	88.7
86.02473	0.9
86.03291	1.6
93.03463	4.7
96.96024	1.4
97.02958	1.7
98.20412	1.7
101.03583	1.3
105.03492	0.7
111.00888	6.7
117.03469	12.3
119.05028	76.3
120.05364	3.0
121.02938	1.4
125.02437	5.5
126.90499	0.7
129.01945	32.9
131.03510	1.0
131.05026	0.8
133.02957	10.6
133.06581	1.1
134.03845	1.0
135.04515	1.7
137.02464	2.0
143.63789	0.7
145.02954	100.0
146.03293	4.1
147.04491	3.3
159.04524	1.5
160.05208	0.8
161.02446	45.0
161.06093	2.8
162.02785	2.1
163.04013	49.7
164.04330	2.6
164.82002	0.7
175.07651	1.7
177.05559	2.7
185.06107	1.6
187.03996	1.6
187.07603	1.0
187.63791	0.7
203.07149	6.6
214.32803	0.9
231.06615	33.5
232.07162	1.7
249.07755	1.3
293.06680	17.3
293.10120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03449	9.8
59.01108	0.4
59.01378	4.4
60.89031	0.2
68.99815	0.6
70.77248	0.4
70.77565	0.2
71.01382	4.3
72.99309	4.0
75.00867	0.6
75.05663	0.3
83.01401	1.5
84.02174	2.4
85.02951	100.0
86.03293	2.3
89.02430	0.3
93.03436	0.3
96.96011	0.7
101.02417	0.4
103.00391	0.7
111.00902	0.4
117.03468	8.2
119.05017	4.1
121.02917	0.3
129.01945	0.8
131.03488	0.4
131.07101	0.4
139.81859	0.3
145.02956	37.4
146.03271	2.0
147.02995	51.6
148.03363	1.2
153.49426	0.2
161.02477	0.2
163.04027	2.1
165.01892	0.3
187.07678	0.9
190.96213	0.2
196.80899	0.3
231.06702	0.3
293.06689	4.0
294.06757	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	293.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14617	0.4
53.44138	0.3
53.45999	0.4
55.01871	1.8
57.03448	9.1
59.01380	3.5
60.33280	0.4
68.99829	0.5
69.31164	2.2
69.31583	1.1
71.01394	2.5
72.99307	2.7
83.01385	1.4
84.02172	2.4
85.02948	100.0
86.03271	1.8
96.96001	0.5
103.00394	0.9
115.06774	0.4
117.03461	9.6
118.03803	0.6
119.05032	3.3
129.01920	0.9
129.65327	0.4
133.02934	0.4
135.04446	0.5
144.04561	0.9
145.02953	44.6
146.03270	1.6
147.02994	52.4
148.03314	1.2
161.02484	0.5
163.04018	2.1
179.82863	0.4
187.07677	1.0
190.05051	0.8
205.97159	0.4
219.03008	1.1
232.54807	0.4
244.43712	0.5
293.03241	1.0
293.06607	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	292.1918
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.33042	0.7
59.01364	1.8
60.22713	0.7
60.96297	0.8
69.77499	3.7
95.76468	0.8
98.19868	1.1
156.13937	100.0
157.14259	4.5
177.09291	1.0
178.81606	0.7
200.12828	4.2
201.13391	0.9
214.83623	0.7
220.14659	2.9
221.15459	9.4
234.15758	0.9
236.10497	5.8
292.20001	3.6
293.17850	1.6
293.21204	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.3
59.01369	4.3
61.98810	1.6
70.02979	4.7
70.33560	1.3
71.01411	1.7
71.02511	1.7
71.51883	1.2
71.52245	1.8
73.04070	100.0
74.02472	21.0
74.06819	1.5
83.02512	19.8
84.04550	6.2
85.02953	16.6
96.96020	3.6
98.02473	5.1
99.02006	42.4
100.02402	1.3
101.03575	12.7
104.03530	2.9
110.02525	1.7
111.00869	2.0
112.26638	1.4
116.03541	20.0
117.03465	4.4
119.05028	36.9
126.03077	10.0
129.01945	5.4
129.03059	5.2
133.65356	1.5
144.04152	44.7
145.02956	23.3
146.04587	66.6
147.02940	3.1
159.04523	2.2
161.04596	1.4
163.04005	38.3
177.10295	2.3
203.08426	2.4
205.09763	1.8
230.09341	36.5
231.06702	2.6
231.09705	2.2
246.08852	2.1
248.10399	52.0
249.10883	2.8
292.09341	15.6
293.06870	4.1
293.10001	2.8
297.86035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	0.6
59.01371	1.8
61.98829	0.8
69.71175	1.6
69.71588	1.5
71.01377	0.9
71.91117	0.5
76.11647	0.5
81.41483	0.6
86.35497	0.5
88.28791	0.5
96.17888	0.5
98.19955	0.7
102.08171	0.7
132.31767	0.5
136.58463	0.5
142.26355	0.5
156.13945	100.0
157.14304	4.8
176.60966	0.5
200.12994	4.7
205.12369	0.6
220.14687	3.0
221.15488	6.3
236.10558	5.1
292.19901	6.5
293.14572	0.6
293.17670	1.5
293.21021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43305	0.5
57.03447	3.1
59.01370	2.4
61.98831	1.7
65.63174	0.5
66.83721	0.6
69.38872	4.3
70.02669	0.7
70.02991	6.5
71.01381	1.4
72.04553	1.7
72.99306	0.6
73.04070	5.9
74.02472	32.6
78.81063	0.5
79.95753	1.1
80.96530	1.4
83.02516	1.4
84.04540	10.9
85.02950	6.3
93.03448	1.2
95.95204	0.6
96.66814	0.5
96.96016	5.3
98.02481	8.6
98.19891	0.7
99.01984	2.8
101.03548	0.6
104.03556	4.8
116.03539	24.9
117.03422	3.0
117.34624	0.6
119.05027	59.8
120.05353	2.2
129.01921	1.3
134.93214	0.6
135.04500	1.3
144.04181	2.0
145.02957	15.4
146.04594	100.0
147.02951	0.7
147.04909	2.3
161.02411	0.7
163.04007	66.2
164.04399	2.0
169.44467	0.6
219.02937	0.9
230.09418	1.7
231.06604	0.9
248.10536	3.2
271.87082	0.7
292.09097	2.1
293.03922	0.8
293.07083	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	292.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70728	0.4
59.01390	2.0
61.20960	0.4
62.92171	0.4
62.96407	17.9
69.06968	0.3
71.01376	1.1
71.47182	0.3
71.50521	0.4
74.99106	0.4
78.95903	100.0
79.95776	0.5
80.96529	1.0
85.02953	2.6
90.41508	0.4
92.05025	0.4
96.96011	0.4
109.72586	0.4
133.02956	1.0
134.86975	0.3
135.04459	0.6
146.02460	1.5
147.02975	0.8
148.95462	0.6
164.03561	3.6
177.01941	0.4
179.01524	0.4
191.01901	0.4
200.01218	4.3
209.71063	0.4
209.99661	0.7
211.45784	0.4
228.00665	65.5
229.00961	2.8
292.05899	0.8
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
52.61706	0.3
57.03430	0.4
59.01371	0.4
59.59380	0.4
61.98293	0.3
61.98812	1.4
69.35413	2.9
71.01380	0.7
73.02971	0.3
108.74925	0.4
121.10234	0.5
122.78893	0.3
125.09689	1.0
127.07664	0.4
138.09041	0.3
185.11879	0.3
222.12599	0.8
232.08394	0.3
291.19650	100.0
292.19986	9.5
304.43149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15471	0.5
59.01368	0.6
61.98825	3.1
71.26218	0.8
73.02946	46.5
77.23855	0.7
102.29491	0.6
149.86357	0.6
239.69049	0.8
291.19650	100.0
292.19998	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.02980	0.6
59.01361	1.7
83.05035	0.8
87.91912	0.5
90.26727	0.5
93.07097	1.1
93.67841	0.5
95.05003	1.2
97.06594	0.8
106.46663	0.4
111.08166	5.7
113.02255	0.4
116.92837	0.5
121.02965	1.6
121.10229	9.1
122.03298	0.5
123.08201	1.1
125.09713	4.0
137.09712	0.7
141.12830	0.7
147.08116	0.6
161.09830	0.4
165.12766	0.6
167.10893	0.9
169.14206	1.0
177.12904	0.6
179.10828	0.8
185.11824	8.6
195.13889	3.7
197.11790	2.5
209.11800	0.9
211.13379	1.4
215.14391	0.8
219.76776	0.5
223.13231	0.5
247.20689	1.3
273.18536	1.4
280.07333	0.4
291.19653	100.0
292.19974	8.0
310.77982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
59.10907	0.3
95.05038	0.3
97.06602	0.3
103.61951	0.3
107.12879	0.3
108.40002	0.3
109.06590	0.3
125.06107	0.5
148.08920	1.0
149.09679	0.4
150.10434	0.7
151.11308	0.6
163.11270	0.9
165.12842	20.6
166.13171	1.1
175.11261	0.5
176.12044	0.7
217.16003	0.3
247.20653	10.2
248.21057	0.5
273.18607	7.2
274.18793	0.4
291.19656	100.0
292.20007	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55382	0.6
57.03435	1.2
59.01377	2.5
61.98810	0.6
64.88868	0.7
71.28011	1.3
75.22762	0.6
83.05019	1.0
93.03477	0.9
95.05023	1.5
109.06557	0.7
111.08168	12.5
149.09645	0.7
167.10780	2.6
171.55957	0.6
177.12816	2.3
179.10767	1.6
190.02953	0.6
195.13916	8.1
219.07886	0.7
247.20702	2.1
259.22647	0.7
273.18521	1.6
291.19659	100.0
292.19998	7.2
303.53275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12128	1.0
58.02974	32.0
58.47186	0.9
59.01361	2.1
61.98848	1.7
71.52156	1.5
83.31742	1.1
86.79504	0.8
93.03454	7.4
103.12283	0.9
109.02943	2.6
112.98500	1.0
121.02953	100.0
122.03299	2.5
123.08137	0.9
168.13934	78.9
169.14256	2.2
170.53885	1.0
192.69450	1.2
212.12965	4.6
246.19429	1.6
273.46350	0.9
290.17914	26.7
290.20660	6.2
291.19678	11.3
310.63617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.01015	0.8
59.01376	12.0
71.01378	4.0
71.28159	1.5
73.02971	0.8
73.21808	0.7
75.27216	0.8
80.00696	0.8
80.96497	0.9
83.01396	2.3
85.02961	1.3
87.00876	4.5
90.61345	0.8
93.03455	2.6
96.95992	1.1
99.00886	13.2
100.03985	1.1
117.03461	23.3
118.03820	1.2
119.05025	30.1
120.05353	1.0
121.02956	2.2
123.04544	1.0
125.02430	1.0
127.00379	8.6
129.01974	1.2
129.03487	1.4
131.05006	1.7
132.02165	0.9
133.02965	1.6
133.06567	1.8
134.03693	0.9
135.04573	0.9
138.44641	0.8
143.04997	0.8
145.02956	100.0
145.48849	0.7
146.03323	3.5
147.04507	9.9
159.04535	1.5
163.04008	17.2
175.03979	6.8
185.06096	1.0
203.03502	25.5
204.03757	1.8
204.10489	0.9
231.02979	7.2
232.85605	0.9
248.09273	2.5
273.04077	1.1
290.99918	1.8
291.05115	20.3
291.12296	1.5
291.19504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.03428	1.2
57.04808	0.7
57.84774	0.7
59.01371	1.3
61.95382	0.6
61.98838	1.5
69.03446	0.9
69.21429	0.6
71.05012	1.3
95.81868	0.7
97.06561	1.3
98.20741	1.5
111.77406	0.6
119.08666	17.4
123.08125	1.4
125.09728	4.9
151.11253	0.9
181.12129	0.7
185.11813	1.7
211.13553	1.0
245.19109	2.6
246.19475	1.0
271.17062	2.5
282.78085	0.7
289.18079	100.0
290.18436	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	290.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.7
61.98831	100.0
69.03455	1.4
71.01364	2.4
71.21553	2.7
73.37533	1.1
86.07439	1.3
101.47109	1.4
108.82621	1.5
115.92068	1.6
121.02950	1.6
126.90437	1.6
136.58653	1.2
162.02280	3.9
234.20164	1.4
290.18027	1.4
291.12344	1.4
291.19510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.60185	0.7
57.03442	1.1
59.01384	1.2
61.98813	1.0
69.84966	3.4
97.06551	1.1
98.19913	1.4
117.93083	0.6
119.08677	9.7
125.09730	4.0
125.33921	0.7
191.14441	0.8
229.16008	1.5
250.38866	0.6
256.05569	0.7
257.15405	4.1
289.18085	100.0
290.18466	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	289.0829
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
57.03445	4.4
58.02981	18.1
59.01386	11.6
70.02975	14.4
70.44110	4.4
72.00912	5.0
72.04555	3.5
74.02473	74.1
74.58083	2.0
78.95898	3.4
85.02953	13.6
98.02488	15.7
116.03533	26.8
116.05050	28.2
121.60109	2.3
127.90876	2.7
129.12724	2.2
130.06619	2.9
142.06618	6.6
159.09219	6.2
201.10379	4.8
203.08255	72.4
204.08546	4.3
215.10728	3.9
245.09300	100.0
246.09598	7.8
275.12744	5.4
289.03421	2.6
289.07028	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	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50824	3.0
57.03448	100.0
59.01379	36.1
61.92845	3.1
63.76805	3.0
71.01368	4.6
71.09115	8.5
75.30022	3.8
75.39831	3.3
78.95930	4.2
81.03409	3.3
83.05030	75.2
85.02912	7.1
97.06550	4.0
99.00903	6.6
99.04528	14.1
99.92595	6.0
105.07097	11.2
107.05003	23.7
108.85328	3.5
109.06613	3.2
123.08167	91.5
124.08567	3.8
125.06082	5.5
129.07149	4.7
145.10255	23.2
147.08150	34.7
173.09729	3.8
185.13312	17.9
187.11258	41.9
189.12883	3.5
199.02641	3.0
211.14903	17.0
227.14403	26.3
229.15974	18.4
230.16220	3.7
231.13902	51.6
232.64252	3.0
238.13620	34.0
253.15962	57.7
253.18402	5.5
271.17014	52.4
285.84628	4.0
289.10919	4.7
289.18161	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.42002	0.6
57.03452	3.7
59.01370	2.0
69.03461	1.0
69.54195	1.1
69.54601	1.7
73.02956	0.8
73.10406	0.5
76.51416	0.5
78.95849	0.6
80.02691	1.1
80.94965	0.5
81.03456	4.7
83.01385	4.9
85.02972	0.8
92.12561	0.5
93.03459	2.7
95.01385	1.4
95.05020	6.1
96.96971	0.9
97.02946	11.4
98.19933	1.1
98.20585	1.1
99.04509	0.7
108.02193	1.7
109.02953	43.0
110.03253	1.3
117.03458	0.8
119.04945	0.6
119.57921	0.6
121.02975	5.0
122.03724	2.2
123.04520	28.7
124.04847	1.0
125.02445	26.7
133.03006	0.6
135.04515	3.3
137.02443	14.2
137.96806	0.5
138.03169	1.8
139.03999	5.6
145.02921	2.6
145.08710	1.3
146.03708	1.8
147.04466	0.8
149.02440	6.6
150.03215	2.2
151.04007	13.9
153.09279	0.7
159.04539	4.3
160.05333	2.5
161.02438	1.5
161.04785	0.8
161.06062	6.9
162.03207	2.9
163.04008	1.7
164.01160	4.5
165.01939	5.7
167.03522	2.1
173.06042	1.6
174.03281	0.9
175.04004	3.7
175.07597	3.1
176.52066	0.5
177.05588	1.2
178.77316	0.5
179.03496	9.1
184.05286	0.6
185.06081	1.7
187.04004	7.2
188.04753	6.8
199.07635	1.2
201.05568	0.9
202.06287	2.9
203.03419	0.9
203.07135	19.0
204.07587	0.9
205.05045	11.9
206.05399	0.7
212.04820	0.9
217.08829	0.8
221.08220	5.2
227.07153	3.3
228.53941	0.6
230.05824	1.2
231.02942	1.1
245.08182	31.9
246.08578	1.4
247.06108	0.9
271.06085	1.7
289.07175	100.0
289.16089	3.2
290.07516	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
56.66977	0.6
57.03443	4.1
69.03451	1.4
70.83572	1.4
73.39093	0.7
80.02697	0.8
81.03473	4.7
83.01376	4.1
89.87444	0.6
93.03460	2.6
95.01369	1.2
95.05031	6.0
97.02944	10.5
98.20269	0.9
98.70413	0.7
99.04484	0.9
108.02160	1.7
109.02951	39.2
109.87036	0.7
110.03250	0.8
112.73089	0.7
121.02964	5.1
122.03763	2.1
123.04527	29.5
124.04844	1.0
125.02445	23.4
126.02814	0.8
135.04498	2.3
137.02444	15.2
138.03206	1.3
139.04005	4.8
143.05104	0.7
145.02989	1.3
146.03719	1.6
146.27682	0.8
147.04483	1.1
149.02437	6.4
150.03189	2.1
151.04005	12.7
157.06558	0.9
159.04529	4.0
160.05278	2.7
161.02386	1.3
161.06075	7.1
162.03217	2.2
162.30734	0.6
162.59546	0.8
163.03931	2.4
164.01144	4.4
165.01929	4.9
167.03465	1.9
173.06070	1.6
174.03162	1.2
175.04004	3.4
175.07599	2.3
177.05528	0.9
179.03496	9.9
185.06111	1.6
187.03981	5.8
188.04761	5.4
199.07709	0.9
201.05556	0.9
202.06320	3.0
203.07140	17.3
204.07484	1.1
205.05031	11.8
212.04823	1.1
221.08200	5.0
222.08618	0.8
227.07132	2.6
230.05797	1.4
231.02901	1.1
245.08156	30.0
246.08467	1.4
247.06062	1.6
271.06067	1.2
289.07169	100.0
290.07516	5.6
293.87106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51581	0.9
54.70185	0.8
54.93346	0.7
57.03446	4.0
58.06304	0.7
59.01375	3.2
61.58297	0.8
66.90610	0.9
69.03458	1.5
70.25277	2.1
70.25629	0.9
71.01389	1.3
81.03451	4.0
81.06525	0.7
83.01389	4.4
93.03458	2.4
95.01402	1.3
95.05035	6.3
96.96982	1.2
97.02949	11.3
99.04518	1.8
106.30091	0.8
108.02171	1.5
109.02953	41.8
110.03283	0.9
121.02946	4.6
122.03686	1.4
123.04529	25.8
124.04895	0.9
125.02452	24.6
135.04518	4.9
137.02443	13.3
137.23160	0.9
138.03227	1.6
139.04034	5.6
145.02962	2.2
146.03758	1.4
147.04530	1.3
149.02423	5.3
150.03189	2.0
151.04010	14.2
156.21042	0.8
157.06563	1.3
159.04488	4.4
160.05284	2.3
161.02417	1.1
161.06078	6.8
162.03227	2.3
163.04041	2.4
164.01187	5.1
165.01910	5.4
165.09267	1.1
167.03490	3.2
173.06053	1.5
175.04057	2.8
175.07640	3.0
177.05606	0.7
178.24173	0.7
179.03499	11.4
183.10258	2.3
185.06111	1.6
187.04008	6.7
188.04829	4.7
189.05034	0.9
201.01695	2.8
202.06342	2.5
203.07126	18.9
205.05064	13.7
212.04739	1.3
217.05238	0.9
217.08707	1.4
221.08167	6.6
227.07137	3.9
230.05853	1.3
231.03137	0.9
245.08163	31.5
246.08435	2.1
247.06184	1.0
252.28159	0.8
271.06058	1.1
289.07172	100.0
290.07529	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	288.9871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17268	0.5
70.39919	0.8
70.40302	0.8
78.95891	5.6
79.95735	1.6
87.92528	1.3
96.96009	100.0
96.96914	10.1
103.04926	0.6
103.92055	2.2
104.43884	0.4
111.00880	1.1
123.94608	0.6
126.90524	1.0
142.99858	1.8
144.55737	0.5
173.00885	1.3
191.01945	1.1
289.03226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13815	0.4
51.88186	0.4
58.01271	0.4
59.01393	2.1
60.29953	0.4
63.02399	6.5
64.02721	0.4
65.00326	27.2
66.00657	0.5
68.14180	0.4
69.41055	3.3
71.01369	0.6
73.28230	0.4
76.30640	0.4
76.72573	0.4
78.95911	0.7
83.01385	11.7
85.02940	0.7
86.98640	0.4
96.95975	0.5
96.96975	1.0
98.19941	0.8
98.20581	0.9
106.56138	0.5
107.01393	29.4
108.01743	1.0
116.72599	0.5
117.03438	1.0
118.43620	0.4
119.98889	0.5
125.02483	0.9
127.07650	0.5
135.04604	0.5
151.00369	100.0
152.00705	3.8
161.02441	0.5
161.03606	0.6
169.01479	2.1
169.12262	0.5
173.02390	0.5
191.48581	0.5
271.02328	0.5
289.03296	0.8
289.07382	1.4
289.16568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01048	0.5
65.50947	0.5
71.01373	0.7
71.49743	0.5
75.77406	0.6
78.51337	0.5
78.95906	2.1
79.95736	1.9
85.02962	0.6
87.00898	1.2
87.92515	1.0
88.98824	1.0
96.96011	100.0
96.97008	2.6
103.92044	3.3
106.55322	0.5
111.00879	4.5
115.00387	2.0
126.90498	0.7
133.01419	4.5
162.83922	4.4
178.88429	0.6
184.12511	0.5
191.01997	3.5
217.01595	2.4
289.00217	1.5
289.03806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03447	1.3
59.01379	91.9
60.01722	0.9
60.99327	0.5
69.36534	2.7
73.24538	0.4
83.05035	0.5
97.06604	0.7
99.04512	1.5
103.76086	0.4
111.68777	0.4
130.05763	0.4
134.02589	0.4
165.12854	1.5
167.10722	0.6
196.52594	0.4
207.13858	2.2
209.11807	6.0
225.14972	6.6
227.12878	46.3
228.13165	2.2
251.12877	1.2
269.13913	11.7
270.14215	0.7
287.14990	100.0
288.15320	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	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01368	1.5
59.01625	0.3
70.52444	0.4
70.52779	0.8
71.97479	0.3
75.15042	0.4
75.83941	0.3
78.95942	0.5
84.54404	0.4
91.42184	0.3
96.46931	0.3
97.06588	0.4
99.08145	1.3
99.92587	0.7
101.07845	0.3
116.08324	0.4
129.09271	0.7
139.11368	0.4
141.12852	1.4
158.93825	0.4
183.34212	0.4
241.21689	1.1
242.76033	0.4
269.21207	2.4
285.20740	1.2
287.22266	100.0
288.19446	0.5
288.22586	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.2
61.98836	0.6
64.84526	0.4
69.49530	1.1
69.49950	1.9
71.01401	0.4
72.99308	1.1
73.21712	0.5
80.96499	0.4
84.01952	0.4
84.75006	0.4
85.02957	0.8
97.06588	1.0
98.20371	1.6
110.02394	0.6
123.00808	0.5
131.03731	0.5
131.40884	0.5
132.04530	1.0
144.04559	0.7
145.04073	1.1
155.06012	0.6
157.07680	1.7
162.96295	0.5
173.03548	4.6
181.07664	1.0
183.05621	10.4
197.04593	0.5
215.04623	32.9
216.04851	1.9
225.06746	1.1
227.09238	0.8
243.07721	4.0
287.06729	100.0
287.14813	2.7
288.07104	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
58.91094	0.4
59.01373	2.6
61.98825	0.5
69.15065	3.8
70.02959	1.0
70.90298	0.4
74.06100	1.7
97.83904	0.4
118.05099	0.8
128.41234	0.4
204.05376	0.4
240.23404	2.7
242.13756	0.6
242.21265	1.8
244.16357	0.8
268.22910	0.6
286.23862	100.0
287.24249	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	287.0562
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03452	15.8
59.01381	14.2
63.02394	3.8
65.00317	7.4
81.03463	4.1
83.01393	10.3
85.00898	1.3
85.02964	2.3
93.03442	2.6
95.01391	1.5
96.96030	3.7
107.01396	7.5
107.05043	1.8
109.02946	2.2
111.00887	1.8
121.02985	2.4
123.04474	2.3
124.01688	2.8
125.02453	100.0
131.04994	1.8
133.02928	3.6
134.03743	1.9
135.04497	2.8
151.00398	11.4
152.01183	7.9
153.01912	2.7
157.06587	2.9
159.04501	3.2
165.01941	1.5
169.01419	1.9
172.05263	2.6
173.06058	4.7
177.05582	16.9
178.99879	7.4
183.23238	1.5
195.10164	1.5
199.07568	2.9
201.05598	10.1
203.03493	2.8
213.05472	1.8
215.07155	7.9
225.05580	1.9
225.14992	1.8
227.12979	3.1
240.09012	3.0
243.06612	12.6
255.11345	6.2
259.06110	82.1
260.06372	4.9
269.04538	4.0
287.02359	2.8
287.05603	66.3
287.14630	10.1
288.06030	4.0
298.18436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
50.90516	0.6
52.14227	0.6
57.29060	0.5
70.08155	0.9
70.08462	2.7
73.84772	0.7
81.03424	0.7
98.20554	0.8
108.02172	100.0
109.03000	13.2
121.03003	0.7
126.44846	0.6
133.02977	0.8
151.03989	0.9
152.01149	69.5
153.01938	30.5
154.02438	0.6
161.51889	0.7
163.03938	0.7
165.01924	0.8
185.04018	0.5
208.19618	0.6
219.71922	0.6
253.41681	0.7
285.06161	76.4
286.06509	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	285.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63649	0.3
56.19302	0.3
59.01380	2.8
65.00320	1.3
67.55048	0.3
69.03432	0.5
71.01367	0.4
71.51817	0.3
75.00868	1.4
80.96511	0.8
83.01392	0.4
85.02932	0.6
89.02443	0.4
91.01893	10.0
92.05106	0.4
95.01385	0.7
97.02988	0.4
108.02163	3.0
109.02998	0.4
110.06042	0.3
111.00866	1.3
117.01933	0.4
123.00901	0.9
123.04521	35.9
124.01686	1.0
124.04847	1.2
135.02989	4.1
139.00383	0.5
152.01134	2.5
156.01233	1.5
167.03487	100.0
168.03824	3.6
197.04427	0.4
197.15387	0.5
241.10817	0.4
243.16023	2.1
284.26843	0.8
285.06122	3.2
285.09485	0.7
285.13141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.4
57.51604	4.7
59.01377	29.2
69.28359	4.7
70.35397	10.0
70.35794	13.0
71.01375	13.2
72.99316	13.8
75.00872	8.2
78.95915	8.8
79.95737	5.2
85.02928	6.4
87.00892	6.7
91.78509	5.8
93.03466	7.1
96.96017	70.0
96.96986	6.3
98.95573	20.2
103.00330	7.1
105.01939	100.0
109.02937	6.0
122.03762	23.6
123.04539	10.1
125.02493	6.3
133.02885	6.6
135.04555	26.8
137.02472	7.0
149.00903	13.2
150.03241	4.9
151.07559	6.6
153.05571	8.8
158.90198	29.3
161.02473	16.1
165.05568	15.1
195.02895	6.8
195.23192	5.9
203.72444	5.0
230.88684	19.1
234.35172	4.9
241.06943	5.5
243.15956	41.5
255.05225	5.4
267.05316	5.6
272.87146	5.2
284.26688	16.0
285.03726	9.0
285.06741	15.5
285.27185	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	285.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63057	0.5
70.64612	0.5
70.64944	1.2
81.03423	0.8
93.03481	0.6
108.02169	100.0
109.02985	14.3
117.02644	0.4
121.02927	0.6
123.04541	1.2
133.02998	0.6
134.03691	0.5
151.04010	1.7
152.01146	69.7
153.01933	32.4
154.02277	1.0
163.04024	1.9
164.69412	0.6
165.01968	1.2
285.06146	78.0
286.06458	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	285.0616
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
50.50274	0.4
53.91434	0.4
59.01376	1.4
60.17482	0.4
67.46056	0.5
69.92182	2.2
81.03452	0.7
98.20334	1.1
103.75163	0.5
108.02168	8.1
109.02955	94.2
110.03272	2.5
123.00889	2.0
136.99171	0.4
137.02458	1.2
151.03864	0.5
152.01161	14.3
152.02385	0.8
153.01941	100.0
154.02231	3.6
167.03522	0.6
203.08270	1.0
225.06525	0.7
225.09010	0.5
243.16032	1.9
249.68698	0.4
264.86520	0.6
284.26712	0.7
285.06161	85.5
285.27249	0.6
286.06461	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	285.0406
Annotation	Cyanidin
Peak:m/z	Relative Intensity
57.59482	0.4
59.01109	0.5
59.01381	5.7
61.54431	0.3
61.87765	0.3
61.98820	1.1
62.94505	0.3
63.02394	0.9
65.00318	2.2
70.89533	1.0
79.95724	1.1
80.96510	0.4
83.01395	1.4
83.04992	0.3
90.56682	0.3
93.03462	0.5
96.96004	0.6
98.20085	0.5
105.03446	0.6
107.01405	4.4
121.02962	1.0
121.95974	0.4
123.70264	0.3
133.02957	23.1
134.03334	0.5
144.17131	0.3
149.02457	3.0
151.00380	8.2
171.04503	0.6
173.12592	0.3
175.03983	4.0
183.01241	0.5
185.06108	0.7
197.05974	0.4
197.15442	1.0
198.03215	0.7
199.03995	3.4
201.02028	1.9
213.05554	0.7
215.03563	0.5
217.05074	2.3
223.04002	0.9
223.13379	0.4
225.14871	0.7
229.05006	0.6
240.04224	0.4
241.05020	1.4
241.14590	0.5
243.03079	1.0
243.16049	4.5
255.02911	0.5
267.02939	0.4
284.26791	2.0
285.04044	100.0
285.17007	0.9
285.27011	1.2
286.01300	0.3
286.04395	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01376	2.1
61.10313	0.4
69.22587	3.4
96.33385	0.3
107.05027	99.5
108.05361	3.0
114.05297	0.4
123.04533	0.6
147.08032	0.4
160.80411	0.4
163.11284	99.7
164.11617	4.3
190.90231	0.4
195.13930	0.6
241.14252	1.1
243.12207	0.4
246.74329	0.4
268.03745	1.8
283.06174	1.5
283.17026	100.0
283.26358	19.7
284.17371	8.4
284.26703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1914
Annotation	Koninginin C
Peak:m/z	Relative Intensity
55.01869	0.8
57.03429	0.9
58.11015	0.4
59.01377	12.5
61.98833	0.5
69.03446	0.4
71.05021	5.7
71.52534	0.5
75.00867	0.9
81.03451	0.6
83.05029	1.2
84.02210	0.8
88.67307	0.4
95.05014	1.3
97.06595	6.0
97.38140	0.4
99.04538	0.4
99.08152	2.5
99.92590	0.6
103.00370	0.8
109.06602	0.7
111.08126	1.5
113.09701	0.4
125.09726	1.0
127.11274	1.5
128.75284	0.4
135.08156	0.7
137.09720	2.4
139.11284	1.8
143.07158	2.7
145.67319	0.3
145.98561	0.3
151.11214	0.5
153.09215	0.7
153.12816	0.5
155.10760	1.1
165.12921	0.7
171.13850	0.7
181.08707	1.3
195.13826	1.0
198.64029	0.5
207.14029	0.6
215.12840	0.7
219.17525	1.1
221.19109	0.7
223.13445	0.8
239.03360	0.5
240.04294	0.5
241.14467	3.6
263.16489	1.0
265.18079	3.2
268.03760	4.5
283.06152	4.6
283.19144	100.0
283.26358	50.7
284.19476	6.8
284.26755	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	283.1551
Annotation	Hysterone D
Peak:m/z	Relative Intensity
59.01379	100.0
60.01702	0.5
70.59540	0.5
70.65559	1.2
75.00860	0.5
96.96010	4.0
114.04470	0.4
135.04575	0.6
146.98634	0.4
162.13875	0.4
209.02782	0.6
223.13396	1.1
241.14514	0.9
268.03711	0.7
283.06012	1.2
283.08603	2.0
283.11832	1.1
283.15570	1.9
283.26425	15.2
283.29489	1.0
284.26785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82317	1.6
59.01367	1.9
63.10976	1.6
69.37469	9.0
71.01396	1.5
72.29437	1.5
75.00871	79.6
78.98211	1.8
84.32703	1.9
88.98811	2.4
89.02444	3.2
96.96009	6.2
98.20611	4.0
103.00371	100.0
103.92022	1.9
104.00729	2.5
126.90484	2.9
292.22202	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	283.0859
Annotation	Psilocybin
Peak:m/z	Relative Intensity
52.62260	0.4
57.03443	1.2
59.01380	8.1
61.98817	0.3
66.87165	0.3
71.01373	0.7
71.05016	1.3
71.22272	0.6
72.99315	0.7
73.02948	0.8
75.00874	0.5
78.95898	0.4
79.95337	0.4
79.95763	1.5
82.85439	0.3
83.05038	0.6
84.04502	0.4
85.02942	0.7
87.83246	0.3
91.01890	1.0
93.03469	0.4
96.96014	100.0
97.06606	0.6
113.02463	0.5
119.01385	1.1
120.99628	0.5
121.02953	0.6
123.04482	0.4
127.11301	1.3
135.04530	0.6
137.09741	1.1
139.11279	1.7
151.11278	0.4
155.10782	1.5
157.12349	9.2
158.12708	0.8
161.02443	0.8
163.00352	2.4
185.11818	3.6
191.28999	0.3
195.10234	0.5
195.13885	0.4
203.12885	41.6
204.13242	2.4
221.08574	1.7
228.42470	0.4
237.08041	3.1
241.14502	2.0
250.98401	0.9
265.07526	6.3
265.42331	0.3
266.07770	0.5
268.03851	1.7
283.08633	57.1
283.12045	8.8
283.26419	32.1
284.08844	3.0
284.26865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1756
Annotation	12-trans-Hydroxy juvenile hormone III
Peak:m/z	Relative Intensity
52.91429	0.9
53.42533	0.8
57.03440	1.7
59.01379	100.0
61.98816	2.4
63.56954	0.7
69.04575	0.8
69.71078	4.2
71.01378	1.2
72.12979	0.8
77.91340	1.0
87.64908	1.0
90.62621	0.9
96.96029	1.4
98.20158	2.2
103.40971	0.8
116.92842	3.2
119.08641	2.6
137.09709	11.3
149.09683	0.9
151.11293	1.3
159.07576	0.8
161.09743	1.0
165.12830	1.1
174.95009	0.9
177.12836	2.5
183.10304	0.8
195.35793	0.8
217.87149	1.0
219.17531	2.8
221.11775	1.7
221.15425	2.5
239.12881	33.5
240.13158	1.9
254.25699	1.3
263.16476	2.5
280.86655	1.0
281.14093	6.8
281.17542	45.4
281.24445	4.0
282.17996	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84148	0.9
55.47165	0.8
57.03448	4.5
58.38844	0.8
59.01378	100.0
60.01704	1.4
61.98779	1.1
64.23359	0.8
69.33363	5.1
69.33777	2.4
71.01379	2.4
72.99304	2.1
75.17936	0.9
79.74174	1.0
85.02943	3.2
87.42876	0.9
88.98788	1.0
93.28086	0.8
95.05003	1.0
96.96012	2.6
98.20007	1.8
98.20638	1.8
109.02950	1.6
119.08646	1.7
121.02901	0.9
121.06583	0.9
133.02954	13.5
134.03714	2.6
135.04529	13.6
137.02448	3.2
137.09711	13.9
139.03981	1.4
140.29169	0.8
141.01819	0.9
147.04498	1.2
161.02438	37.8
161.09669	1.8
162.02756	2.2
177.12831	2.0
178.02605	1.5
179.03491	9.8
179.10829	1.3
193.05020	2.0
205.82758	1.0
206.09375	3.1
207.06596	2.4
221.11807	13.9
222.12305	1.3
237.15013	2.9
239.12863	32.6
240.13213	2.4
249.03989	1.2
281.06693	20.3
281.10248	2.7
281.13885	15.9
281.24707	4.4
282.07047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57552	0.5
56.31707	0.5
56.73972	0.4
58.35797	0.4
59.01381	100.0
60.99304	1.6
66.67785	0.5
69.59905	2.6
69.60305	0.9
71.01408	1.4
72.99319	0.5
74.99092	0.9
80.96514	0.9
85.02972	0.7
85.15092	0.4
88.98806	12.1
96.96040	0.5
98.19979	0.9
99.00859	0.6
101.02494	1.4
113.02415	0.5
113.50197	0.5
119.03542	0.5
137.09761	2.1
150.04282	0.6
151.65135	0.5
158.20621	0.5
161.04558	0.6
165.42957	0.5
183.70628	0.5
221.10175	2.3
239.12863	4.7
270.56158	0.5
281.03598	0.6
281.14200	0.6
281.24838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
58.99605	13.1
59.01380	21.5
59.90885	0.6
61.98831	100.0
70.87251	1.2
71.01388	2.2
72.62951	0.7
72.99316	1.3
73.02950	0.7
74.99092	8.4
79.95737	0.9
80.96524	1.6
85.02943	0.8
87.00884	1.5
87.92532	1.6
88.04050	2.6
88.98808	7.4
92.23219	0.6
96.96035	1.7
101.02468	2.0
105.00759	0.6
105.01917	0.7
111.00857	0.7
113.02457	0.8
119.08630	1.3
121.06590	0.9
126.90501	0.9
135.04541	1.1
136.99178	3.6
137.09743	7.0
150.09242	0.7
153.01993	1.7
154.20404	0.8
161.04655	0.7
177.12840	1.1
218.10460	3.2
218.12447	0.7
221.11874	1.0
231.89551	0.7
239.12900	19.3
247.81821	0.8
259.48810	0.6
281.03732	0.6
281.07190	1.8
281.10776	7.2
281.14066	2.1
281.24814	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	281.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30152	0.7
57.03432	2.1
59.01378	6.1
59.20812	0.8
69.03451	0.8
69.74785	4.3
72.99306	11.9
73.38644	0.9
74.04031	0.8
79.95727	5.7
85.02941	1.1
87.00890	6.6
87.85888	0.9
93.24401	0.9
96.96008	71.8
98.19912	1.5
98.53645	0.8
99.99763	0.8
105.01943	3.4
107.08655	1.8
109.10191	0.9
117.03465	2.7
119.05014	0.9
119.08611	1.0
124.53428	0.8
125.09737	1.6
129.09816	0.8
134.03735	28.3
135.04131	1.0
135.16693	0.8
137.09724	2.9
149.06071	2.8
152.00212	1.5
155.10805	5.9
178.02733	1.6
183.10252	23.7
193.05043	34.3
193.12242	0.9
201.11308	100.0
202.11650	6.1
207.07027	1.2
219.06914	2.9
235.06378	6.4
239.12852	7.2
263.05945	9.3
281.06973	92.2
281.25000	1.5
282.07257	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32876	0.6
59.01379	3.6
63.95912	0.5
66.71448	0.6
70.63667	1.4
70.64017	0.9
72.99297	4.5
75.00869	0.9
79.95753	1.9
87.00877	20.5
89.03985	1.4
95.95235	0.6
96.95381	1.3
96.96011	26.5
98.20660	0.7
105.01942	10.2
107.08682	1.1
117.03461	8.6
119.05070	0.7
125.09718	1.1
133.48325	0.7
134.03741	83.4
135.03163	0.6
135.04007	3.0
137.02452	1.5
137.09732	1.4
139.11214	0.7
149.06065	7.4
155.10805	2.2
160.01634	1.1
163.04001	0.8
175.03963	1.4
178.02719	6.5
183.10252	8.3
193.05046	100.0
194.05392	3.7
201.11313	34.9
202.11685	1.1
219.06944	1.1
235.06392	2.4
239.12857	2.6
263.05869	3.0
281.06955	34.9
281.13556	1.0
282.07315	1.5
291.64551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01376	4.8
67.81297	0.2
69.51707	1.9
72.99310	11.9
73.02942	1.0
75.00870	4.8
78.95898	1.0
79.20007	0.3
79.95724	0.5
80.96526	0.5
83.05000	0.2
83.11970	0.3
85.02949	0.8
87.00853	0.3
88.98823	0.5
96.96001	2.0
96.96976	0.8
101.02394	0.5
111.26257	0.2
119.03502	100.0
120.03837	1.2
121.02956	0.5
129.01920	0.4
133.02965	5.1
134.03813	0.3
135.04527	4.6
136.04907	0.3
137.09708	2.4
140.49844	0.3
149.06136	0.4
149.09698	0.3
155.10680	0.3
161.02443	21.4
162.02731	0.6
179.03508	2.5
193.05058	0.6
221.11905	0.5
237.11266	0.3
239.12877	5.3
281.06970	3.0
281.10434	1.0
281.13931	0.9
281.24866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84542	0.5
53.12088	0.6
55.01872	1.4
55.18567	0.6
57.03437	1.4
59.01380	14.6
60.82906	0.6
62.31145	0.6
62.31503	0.6
69.85114	2.2
71.01370	3.3
72.99304	1.9
73.02944	4.3
75.00877	2.9
79.95744	1.0
80.96524	1.1
85.02957	1.4
87.00874	34.1
88.98792	1.1
93.03471	1.9
96.96019	3.9
101.02459	1.1
109.02950	1.0
110.76354	0.5
112.06836	0.6
113.02460	0.6
117.01942	45.7
118.02325	0.7
119.05027	54.7
120.05379	1.7
123.04512	0.8
128.15616	0.6
135.02992	9.8
135.04562	1.3
137.09718	3.9
145.02948	1.7
147.04539	1.2
149.02408	1.4
149.09764	0.7
161.02441	0.7
161.04561	0.7
162.04848	0.6
163.04007	100.0
164.04335	2.0
177.05676	1.0
177.12781	0.9
210.03140	0.7
221.11876	1.2
229.96431	0.7
237.11362	0.8
239.12886	17.0
281.06927	5.4
281.10367	2.4
281.13824	1.4
281.24872	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	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82936	0.5
55.01881	0.6
56.99345	0.5
57.03443	1.3
59.01377	12.2
61.98834	0.8
71.01388	2.1
71.51034	0.7
72.99320	3.2
73.02934	2.9
75.00874	28.5
78.56162	0.4
79.95756	0.8
80.96513	1.5
85.02981	0.5
87.00883	14.0
88.98807	1.2
89.02426	1.5
96.96027	2.8
98.20233	0.6
109.02943	0.6
113.02386	0.8
117.01945	24.8
119.05035	37.3
119.08690	0.9
120.05371	1.4
121.02962	0.9
135.03000	100.0
136.03343	1.3
137.09726	4.5
145.02998	1.5
163.04013	62.5
164.04352	2.3
177.12837	1.1
179.03476	0.5
193.12453	0.6
201.11395	0.6
221.11803	1.0
239.12880	13.7
281.06989	4.7
281.10461	1.2
281.13959	1.7
281.24884	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21656	0.5
57.03437	2.0
59.01379	14.7
59.17900	0.4
71.01370	0.7
71.05048	0.5
71.52253	0.5
71.76516	0.6
72.99303	2.1
75.00905	0.6
79.95733	0.6
80.02702	0.5
80.96524	0.8
82.90444	0.4
83.05038	1.1
83.58105	0.5
85.02937	1.2
87.00903	0.7
88.98816	0.9
92.43921	0.4
93.03441	1.1
95.05035	0.8
96.96013	1.4
99.00889	1.4
101.02429	1.0
105.03460	0.8
106.04276	0.4
109.02943	1.3
110.00030	0.5
119.05024	1.9
119.08646	1.2
121.02966	1.4
123.08199	0.6
129.01952	2.8
132.02156	1.3
133.02957	39.3
133.15477	0.5
134.03769	8.0
135.04532	9.9
135.08199	0.5
137.01459	0.9
137.02440	9.3
137.09715	6.1
139.04010	2.7
147.04518	2.6
149.02422	1.1
149.06017	0.7
149.09782	0.7
149.21423	0.5
150.03177	0.9
153.42342	0.4
154.24947	0.4
161.02437	100.0
162.02762	3.1
163.04042	1.1
165.09232	0.6
175.04018	2.1
177.12872	1.0
178.02730	4.7
179.03514	3.9
191.03494	0.7
193.05148	0.8
193.12329	1.0
207.06612	8.8
219.02919	4.0
219.13942	1.1
221.11844	1.1
237.07582	0.9
237.11290	0.7
237.14973	5.7
239.12880	13.7
249.03978	3.8
251.05594	2.5
263.05688	0.5
280.23685	0.5
281.06671	44.7
281.10275	1.6
281.13763	11.9
281.24805	2.0
282.06982	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	281.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
60.99308	11.6
62.56941	0.7
70.49149	1.5
70.49500	1.4
71.01373	0.9
78.95914	0.9
88.98805	100.0
89.99136	1.2
98.20291	1.7
117.59481	0.8
125.77238	0.6
125.83823	0.6
133.05104	0.7
162.82980	0.7
204.11418	0.6
254.95445	0.7
276.60727	0.6
281.08823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	14.6
69.65498	3.8
88.98804	100.0
89.99178	1.0
102.76363	0.9
238.31934	1.0
275.09207	1.0
281.99680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
51.40276	0.5
55.01873	0.9
58.00587	1.3
59.01379	31.4
70.62874	1.5
71.01382	13.5
71.01773	0.7
71.05019	5.4
72.99302	0.9
73.02926	0.7
83.01373	1.1
85.02953	4.0
89.02443	15.9
90.24619	0.5
95.01395	1.5
95.26672	0.6
99.00865	0.7
99.04520	3.0
100.11889	0.5
101.02441	10.3
101.06085	1.9
102.27808	0.5
113.02450	6.9
113.06076	1.3
117.05579	37.2
118.05931	0.9
119.03500	5.9
123.36168	0.5
159.06613	1.3
161.04556	0.6
168.58742	0.5
179.05568	0.7
279.10834	100.0
280.11118	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.15773	0.3
59.01366	0.7
78.95950	0.4
97.98192	0.3
100.74905	0.4
127.11834	0.3
139.74026	0.4
279.23285	100.0
279.59738	0.3
280.23608	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	279.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
69.34584	2.9
71.05047	0.6
74.96500	0.4
79.95767	1.4
81.05538	0.3
96.96011	100.0
98.20672	0.6
111.79219	0.3
122.21532	0.4
153.12843	1.2
165.28065	0.4
175.16612	0.4
199.13385	12.5
200.13672	0.6
223.09140	0.3
235.10104	0.8
279.09061	82.9
280.09418	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17864	0.2
57.03446	0.3
59.01376	5.4
69.51170	2.0
71.01390	1.6
72.99312	0.4
76.39614	0.3
78.14156	0.3
79.95733	0.6
80.96516	0.4
83.05043	0.4
87.00847	0.4
89.02456	1.4
96.96009	23.3
99.00880	0.3
99.92567	0.4
101.02476	0.3
105.03490	0.3
108.45437	0.3
109.02929	0.4
117.01952	4.1
117.03442	0.5
119.05011	0.5
121.02969	0.4
123.04560	0.5
132.02171	1.0
133.02953	27.9
134.03688	1.2
135.04523	17.4
137.02464	1.2
147.04523	1.0
153.12711	0.3
161.02434	100.0
162.02776	4.1
163.03960	0.5
173.06047	0.5
173.09721	0.3
175.03998	0.4
178.02664	0.8
179.03487	15.3
191.07164	0.5
191.10841	0.5
199.13399	3.2
199.87155	0.3
217.12299	0.4
219.03001	0.6
220.03867	0.3
235.06143	2.0
279.05121	18.9
279.09085	16.1
279.12128	0.9
279.15668	0.4
279.23257	4.3
280.05417	1.4
280.09430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01377	2.9
67.65385	0.2
71.01363	0.4
72.95461	0.3
79.09356	0.3
79.80132	0.3
98.19854	0.7
98.20542	1.9
109.58670	0.3
121.02963	0.5
127.07621	0.3
137.09587	0.3
204.16669	0.3
205.15739	0.3
275.20105	0.7
277.21698	100.0
278.22031	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01384	0.8
65.54166	0.5
70.49554	0.5
70.77484	0.9
100.22894	0.6
141.45874	0.6
148.18623	0.5
217.81458	0.5
233.22690	0.8
277.21710	100.0
278.22083	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	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
59.61782	0.3
70.14181	0.3
71.01369	0.4
76.73036	0.3
85.06025	0.3
93.06087	0.3
98.20010	2.1
98.20724	0.9
106.84637	0.3
121.02940	0.9
134.90930	0.3
205.15935	0.5
229.80547	0.5
233.22827	0.3
259.20755	0.5
266.20401	0.3
275.20032	0.5
277.18509	3.7
277.21698	100.0
278.22073	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	277.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71680	1.0
57.03423	1.4
58.02973	32.1
59.01379	16.9
64.52988	1.1
71.01376	4.2
71.05009	1.1
71.50984	1.4
72.00902	1.2
72.99313	2.1
75.00861	3.4
75.21705	1.0
78.95906	17.0
80.96520	2.3
84.04549	27.3
85.02943	3.4
86.02469	3.0
87.00887	1.5
87.04517	1.3
92.05062	32.8
95.01333	1.0
96.95992	4.3
96.96959	41.4
98.20266	1.5
98.23726	1.1
101.02442	1.5
103.00374	2.0
111.00829	1.5
112.07645	1.1
115.04019	2.2
117.05544	3.5
118.06622	2.4
120.04549	12.8
120.99654	1.5
121.02940	7.3
122.89519	1.0
128.03543	100.0
128.05074	4.3
129.03859	1.8
130.06589	2.2
131.03758	4.5
132.18503	1.3
132.98143	1.1
144.04549	28.3
144.94559	4.4
145.04892	1.2
146.02484	13.9
146.06105	17.1
147.03091	1.4
148.04050	68.6
149.04379	1.3
150.37901	1.2
172.04022	1.4
173.07217	16.5
174.05518	3.2
174.20894	1.1
186.07687	3.9
186.95580	6.9
190.05112	4.1
215.08269	29.9
217.06166	1.5
233.09268	1.5
235.07179	3.2
259.07257	7.5
277.03647	2.5
277.08282	47.7
277.14462	3.9
277.21735	21.7
278.08661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.9209
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	4.1
71.50552	1.6
75.00868	11.4
78.95922	3.3
79.64323	1.0
87.92531	17.9
96.96011	3.5
96.96960	4.5
103.00378	14.3
103.92028	100.0
104.92114	2.4
104.92810	32.9
104.93502	2.3
105.93581	5.7
112.98859	1.3
114.02446	1.2
114.94919	1.4
115.00363	2.0
123.94687	6.1
124.66239	1.3
129.93573	1.5
130.94373	3.1
133.01410	1.2
142.99866	8.6
147.94685	1.7
149.96198	3.1
158.93842	5.0
159.94608	5.7
160.01497	2.0
173.00932	1.7
175.94131	3.3
177.95679	3.1
204.94501	1.6
213.90570	1.2
217.88522	1.2
276.02277	2.4
276.98849	1.4
277.03809	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	277.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11543	0.2
50.25615	0.3
52.27163	0.2
58.02975	0.3
59.01357	0.9
61.66638	0.2
71.51892	0.2
79.95715	1.7
83.05041	0.3
84.04552	0.2
85.02921	0.4
86.96690	0.2
95.95254	0.3
96.96008	100.0
97.95924	0.4
119.37673	0.2
120.85484	0.2
121.02950	1.4
130.06633	0.8
144.04523	0.6
146.06084	0.4
146.08202	0.5
174.05614	0.8
190.05060	0.7
192.82191	0.2
197.11806	2.4
200.08521	0.2
205.05257	0.3
233.08505	21.2
234.08784	0.9
277.07498	59.6
277.21667	3.1
278.07776	2.7
299.00504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92205	0.3
59.01377	3.7
70.65802	1.1
71.01384	1.2
81.03462	0.4
83.05015	0.3
177.16505	2.2
203.18063	0.4
207.36383	0.4
231.21138	9.6
232.21519	0.5
234.30025	0.3
257.19031	0.7
273.18680	0.4
275.20139	100.0
276.20502	8.4
280.32635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.09254	3.3
59.01393	3.5
67.00670	2.9
71.51752	5.1
110.96411	3.1
167.02934	3.2
181.96642	3.4
207.30379	3.4
231.21187	100.0
232.21567	6.2
272.18484	3.2
275.20114	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	275.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.5
61.98816	1.1
69.03443	1.6
69.67514	0.7
70.37293	2.7
85.08120	0.8
99.92568	1.0
116.92881	6.2
123.38140	0.8
134.81763	0.7
166.74304	0.7
179.10756	3.0
195.17155	0.8
211.13376	5.5
214.89670	1.1
243.16165	1.1
258.96710	0.8
275.18622	100.0
276.19077	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	275.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25927	0.2
56.17496	0.2
57.03431	0.4
59.01383	0.9
62.37814	0.2
63.96236	0.8
67.80078	0.2
70.11907	0.2
71.05019	0.5
71.39384	0.3
71.39748	0.2
75.31892	0.2
77.79144	0.3
78.19583	0.2
79.95734	25.2
80.96516	10.2
83.05044	0.2
85.02948	0.4
87.96248	0.2
88.49069	0.2
93.03470	0.4
95.05006	0.6
98.20049	0.2
111.04515	0.5
116.92871	0.4
117.03472	0.3
119.05058	0.4
123.78867	0.2
129.01924	2.0
143.04993	0.3
145.02948	0.9
146.03340	0.3
159.04503	0.3
172.99127	8.6
177.25764	0.2
187.00664	0.5
187.04028	0.3
188.01483	7.1
189.02043	0.3
201.54150	0.3
215.12874	0.4
231.10147	0.3
257.08578	0.4
260.07248	1.3
275.09579	100.0
276.09866	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	274.0566
Annotation	3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole
Peak:m/z	Relative Intensity
69.03447	1.2
69.19998	4.5
69.20421	1.9
72.04545	1.8
72.99325	0.8
73.02966	1.0
75.57782	0.7
78.46534	0.7
78.95931	2.1
82.02982	7.0
83.01377	4.8
84.04555	1.1
85.02938	1.0
87.92516	1.0
96.96985	0.9
97.06640	0.9
98.02486	10.7
99.02742	1.0
100.04118	0.8
101.02434	4.1
102.05600	16.3
102.43233	0.7
103.92014	0.8
105.01882	0.9
106.30499	0.8
108.30557	0.7
109.77274	0.7
114.09263	1.6
122.06117	1.2
124.07650	0.9
125.06087	1.2
127.00346	6.3
128.03542	100.0
128.43280	0.7
129.03864	1.9
135.03632	0.7
140.07149	1.2
142.05132	0.8
146.04594	8.8
150.05579	1.4
166.05032	1.7
168.06683	3.0
184.06105	1.5
194.04701	0.9
212.05627	16.5
212.09196	1.2
213.05861	0.9
228.05124	6.7
230.10625	0.7
256.04620	20.1
274.05698	6.8
274.08945	1.0
275.04074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82559	0.6
59.01376	1.7
61.98823	1.0
66.40396	0.6
68.52944	0.7
70.64485	1.5
99.92583	0.7
116.92870	2.5
123.08116	0.8
125.09783	1.0
131.55676	0.6
149.06105	1.0
163.11348	0.8
170.08385	0.7
191.10838	1.4
193.07701	0.9
209.11800	3.1
213.74545	0.7
237.75844	0.8
241.14473	1.7
273.17068	100.0
274.17407	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46280	0.5
59.01374	1.6
61.98823	0.8
83.01400	0.7
98.19844	1.4
99.92602	0.9
108.71953	0.6
109.76670	0.6
116.92849	2.4
125.09753	0.7
165.12827	0.6
172.75252	0.5
191.10670	0.8
209.11818	2.0
222.90994	0.8
234.23627	0.6
241.14510	2.7
266.75739	0.6
273.17065	100.0
274.17346	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.39150	0.7
71.01363	1.9
71.52733	1.0
83.05008	1.9
99.08133	1.4
111.08157	0.9
112.88407	0.8
116.92849	1.0
125.09692	2.8
129.09242	1.6
134.23938	0.8
137.09734	10.3
139.11275	1.8
149.57367	0.8
151.04028	0.9
153.09241	9.2
155.10799	5.6
171.10240	3.3
181.08691	2.0
185.11803	2.3
193.07724	1.0
199.09721	2.7
206.04384	0.9
213.11330	5.0
226.07538	1.2
231.12373	47.1
232.12683	2.3
243.07889	1.0
255.11377	2.7
255.15936	1.3
262.15359	0.9
273.03384	1.3
273.07724	1.9
273.13232	3.6
273.17044	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	273.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74707	0.8
59.01380	100.0
60.01725	0.8
63.52678	0.7
71.01385	1.1
71.52315	1.3
83.28292	0.9
88.09026	1.1
108.88192	0.8
109.86703	0.9
115.07643	1.4
116.92849	3.4
129.09200	1.0
132.35130	0.9
137.09702	1.0
149.09744	0.8
167.10744	5.1
185.11803	1.5
193.07729	1.0
200.12498	0.8
222.62061	0.8
246.39218	1.0
257.16113	0.8
261.74625	0.8
273.03809	0.9
273.13403	3.2
273.17050	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
52.75460	0.3
55.01868	0.6
61.98817	0.4
69.52206	0.3
70.38440	0.3
70.77782	0.3
70.78110	0.7
72.99318	0.3
93.67262	0.3
160.93407	0.3
167.31258	0.3
178.29413	0.3
197.19077	0.9
197.56694	0.3
207.13998	0.3
221.19171	0.9
223.20670	3.9
225.22232	58.9
226.22617	3.4
233.93680	0.3
244.59468	0.3
253.21727	1.4
269.21082	0.4
271.22775	100.0
272.23090	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	273.0768
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
51.34236	1.3
57.03430	1.9
59.01370	3.8
64.10733	1.0
67.01891	1.9
69.03444	4.0
70.49142	1.0
70.90845	1.1
73.02943	1.6
80.02689	1.4
81.03467	2.7
83.01384	5.4
85.02935	3.8
87.00890	1.3
93.03458	13.2
95.05026	9.8
96.96031	1.7
97.02949	52.3
98.03781	1.9
98.19923	2.4
98.83330	1.1
99.04528	1.5
107.05022	5.1
109.02934	3.1
111.37295	1.0
119.05049	4.6
122.03719	1.4
122.06178	1.4
123.04526	10.2
125.02442	3.3
126.02843	1.2
128.53000	1.1
129.01978	1.4
133.02962	12.1
134.03738	11.0
134.06104	1.4
135.04546	14.4
137.02437	16.9
138.03189	4.8
139.04028	10.1
141.07074	1.6
143.05042	2.5
145.02881	1.3
145.06627	3.0
146.03731	2.6
147.04460	1.9
149.06114	2.8
149.46977	1.5
151.03911	1.2
156.05795	1.2
157.06540	1.9
159.04515	11.3
160.01604	2.3
161.02423	7.1
161.06081	3.2
163.04025	2.1
164.01053	2.9
166.02702	4.7
167.03612	2.2
167.04971	11.8
170.03751	1.5
171.04541	2.1
172.05251	3.2
173.02419	1.9
173.06116	9.5
174.03035	1.3
175.04001	1.8
178.02655	3.5
179.03499	2.5
183.04489	4.2
185.02582	1.2
185.06068	16.2
186.06757	2.2
187.03970	3.4
187.07643	12.2
189.05565	15.4
193.04985	8.3
199.04008	1.6
201.05554	18.4
205.08717	11.3
209.03128	1.4
211.04025	6.2
211.07562	1.6
213.05644	2.0
214.06259	1.3
227.03458	1.8
229.05075	27.3
229.08623	17.1
230.02199	2.0
230.05455	1.6
231.06551	3.5
245.04518	4.0
255.03119	1.3
255.06580	4.2
273.01169	3.8
273.04034	69.3
273.07663	100.0
273.12485	2.6
274.04410	3.7
274.07996	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	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88687	1.1
57.03428	1.5
59.01382	7.3
61.98806	3.4
70.71607	2.4
71.09532	1.1
78.92689	1.2
81.03437	2.3
83.05006	1.3
84.01657	2.5
84.02168	47.1
85.02945	1.9
87.00864	1.2
87.03474	1.2
89.92519	1.2
97.06550	1.4
99.04509	10.6
108.02169	2.4
108.82381	1.1
109.02956	2.3
109.06590	1.9
111.08072	1.4
115.04041	1.8
125.02452	1.5
125.09754	1.7
135.04514	1.1
137.09743	1.7
138.88152	1.3
171.10268	100.0
172.10616	4.6
221.11862	10.9
235.13350	2.7
238.12067	3.3
253.14442	36.5
254.14799	2.0
271.09454	1.9
271.15811	5.8
271.19171	5.3
271.22723	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03118	0.7
59.01372	1.1
62.33213	0.6
65.23439	0.7
69.03462	6.9
69.49566	5.1
71.01380	1.5
71.05038	0.8
81.03481	1.2
83.05030	1.4
94.87553	0.6
96.17639	0.7
97.02954	13.2
97.06576	1.5
108.02178	0.7
109.02939	0.9
109.06599	1.2
110.03741	4.0
110.04390	0.7
111.04507	1.6
123.04536	1.1
123.08177	4.7
124.58429	0.8
125.09734	3.6
135.08185	2.1
136.05286	2.2
137.09782	1.0
142.02718	3.0
145.10240	2.1
161.09717	2.9
163.11299	17.2
163.12581	1.4
164.11536	1.1
168.61304	0.7
168.64343	0.7
177.12755	0.9
179.10780	13.0
195.13895	5.3
197.11868	1.0
200.84964	0.6
207.10262	86.6
208.10596	2.8
211.13385	2.1
213.05685	0.8
221.11807	3.0
224.10480	1.3
239.12892	100.0
240.13254	4.9
271.19199	1.6
271.22888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58291	0.9
55.61811	0.8
57.03431	4.2
59.01378	28.3
60.77741	0.7
69.03446	2.3
71.01381	25.5
71.52441	0.8
72.99301	0.9
73.02911	1.0
81.03461	6.1
83.05020	3.0
84.02203	0.7
85.06589	1.1
87.04514	1.3
95.01365	1.0
95.05045	1.7
97.02963	1.8
97.06578	2.3
108.02164	1.2
109.02966	1.9
109.06583	2.2
109.39984	0.7
110.03716	1.6
111.04521	21.3
111.08157	8.7
113.06085	2.9
115.04012	8.1
119.05003	1.2
121.03001	0.8
121.06573	2.8
122.03677	0.7
123.04502	2.1
125.02444	1.1
125.06083	1.5
127.07645	1.6
128.03520	0.8
129.05565	3.2
133.43288	0.7
135.08157	1.4
137.06123	0.9
137.09756	1.3
139.07643	11.1
141.05594	2.3
141.09286	1.0
143.07127	1.2
153.05553	1.0
155.07109	2.5
155.10767	2.5
163.11336	1.3
173.13321	2.1
180.85463	0.8
181.12343	4.3
191.14412	3.5
192.26662	0.8
193.12392	1.1
199.13620	0.9
211.13335	0.9
235.13412	3.1
253.14438	18.4
254.14760	1.2
271.06064	1.8
271.15497	100.0
272.15857	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01379	0.7
63.02399	10.7
65.00324	15.6
70.99146	1.3
71.29211	0.6
83.01383	11.5
83.05050	0.6
93.03460	13.9
103.43825	0.6
107.01389	25.0
108.02269	0.7
109.02936	0.6
110.44061	0.5
112.72164	0.6
116.20444	0.5
119.05029	72.9
120.05388	2.6
121.02936	0.8
125.02480	1.2
125.09693	0.5
143.05006	1.4
145.02959	1.4
151.00366	66.5
152.00723	2.0
161.06123	2.0
163.44431	0.6
165.01945	2.7
169.01469	1.5
176.98792	0.7
177.01917	9.4
180.03105	0.5
181.69199	0.5
185.06046	1.7
185.13451	1.2
187.03990	2.8
211.14967	2.0
227.07204	1.1
227.14418	1.1
229.16060	1.4
238.13599	4.2
252.64650	0.5
253.05028	1.1
253.16101	4.1
253.27658	0.6
271.06113	100.0
272.06503	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	269.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30107	0.7
57.03451	6.3
59.01379	30.7
69.03464	3.7
70.64363	2.1
71.01381	21.9
72.01778	0.7
72.02156	1.2
77.12249	0.7
81.03458	2.6
84.02149	2.1
85.02951	1.3
85.06570	0.9
87.04504	1.1
93.07118	0.6
95.05003	1.2
97.02971	1.1
97.06012	0.9
97.06584	5.7
98.20073	1.1
99.04507	0.8
99.08154	2.8
107.05026	5.0
108.02137	2.0
109.06587	19.6
110.03734	4.7
110.20320	0.7
111.04507	4.3
111.08151	1.2
113.09717	3.0
115.03985	0.9
115.07628	1.4
123.04535	7.1
127.07658	13.6
129.05582	33.9
136.05312	10.8
137.06100	8.5
137.09637	0.8
138.06926	1.0
139.07599	2.4
139.95244	0.8
141.05563	15.4
149.80748	0.7
151.07588	0.8
153.05544	1.0
155.10773	1.0
163.11331	0.9
164.08392	0.8
165.09201	2.5
165.12856	3.6
177.12936	0.8
178.09976	3.2
179.10783	13.2
182.05833	39.4
183.06087	1.1
189.12823	4.7
189.14264	0.8
191.10773	2.1
200.06932	2.1
207.13887	100.0
208.14268	4.9
209.45415	0.7
225.14825	1.0
233.11868	2.3
251.12868	32.2
252.13350	1.7
269.04684	1.0
269.13959	16.9
269.17313	2.0
269.21143	3.9
269.24844	2.4
270.14319	1.4
270.17816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0665
Annotation	phenyl glucuronide
Peak:m/z	Relative Intensity
50.77426	0.6
57.01696	0.7
59.01378	1.5
62.11784	0.6
63.98104	0.5
71.01375	1.5
71.51028	0.6
73.53073	0.6
80.96510	0.7
86.09589	0.6
87.04527	1.3
88.98794	0.7
89.02442	0.9
92.02747	0.6
93.03458	94.7
94.03805	2.3
95.01384	1.6
102.09789	0.6
107.05064	1.4
107.84202	0.6
108.02180	1.6
113.73462	0.6
121.03001	0.8
136.01624	0.7
137.02444	100.0
138.02798	2.2
139.83411	0.6
147.49226	0.6
163.00441	0.9
188.94221	0.7
225.00388	1.0
228.95847	0.6
250.98232	0.9
269.04071	0.8
269.06671	9.0
269.09583	0.8
269.18448	1.0
269.21265	4.5
269.24887	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01380	100.0
69.03454	6.1
71.01381	8.5
71.52380	2.4
72.02164	2.7
72.99332	1.6
73.02952	1.7
78.11109	1.7
83.05016	3.2
85.02942	3.3
87.00879	3.6
87.04513	10.0
93.03442	3.5
95.05036	4.7
96.55358	1.7
97.02943	17.2
97.06596	4.8
99.08157	2.6
109.06570	2.3
111.04522	1.9
113.06072	2.5
121.02956	10.5
123.08137	4.1
125.06059	3.8
127.04016	2.8
127.07671	15.6
136.05292	2.2
137.06044	2.7
138.03307	2.1
139.04007	4.1
140.04817	4.1
141.09232	7.9
153.09204	4.3
156.07889	7.9
163.11279	3.4
165.09183	3.0
173.09654	2.3
177.03944	2.0
181.12343	10.7
187.13193	1.8
189.12852	13.9
191.10796	16.5
207.13898	27.2
208.14262	1.9
209.11847	12.5
218.41313	1.5
225.14981	4.5
226.22888	1.7
251.12859	4.3
269.04483	5.0
269.07941	3.3
269.13928	59.4
269.17542	9.4
269.21191	11.4
269.24835	6.9
270.14197	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	268.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11896	0.4
59.01397	0.4
61.08867	0.4
61.98817	0.6
67.01882	1.4
69.03453	1.0
71.01379	0.5
71.51934	0.5
77.10168	0.4
81.03452	2.8
83.01393	0.5
83.05012	1.1
84.02146	1.0
85.02954	1.2
93.03456	0.8
97.02921	0.4
100.95987	0.4
102.92677	0.4
104.66415	0.4
106.66146	0.4
108.02163	0.7
111.00879	16.1
111.04522	1.9
118.95256	0.4
121.02969	3.6
123.08150	0.6
124.01613	0.4
125.02398	0.6
125.09731	0.6
139.03970	2.3
163.11284	0.5
179.10841	0.7
207.10138	0.5
218.09497	0.6
227.13045	0.4
236.10495	0.7
237.19304	0.5
240.13628	1.7
250.12061	3.4
251.12752	0.6
268.13147	100.0
269.13568	6.8
269.21323	1.1
269.24796	0.4
270.53024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10489	2.8
60.99300	10.9
69.24817	3.2
70.33017	7.7
70.33368	4.9
71.82504	2.7
72.99956	3.2
88.98804	100.0
92.92815	3.0
94.92506	9.1
106.36046	3.1
141.76253	3.4
149.00883	10.5
245.94691	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	268.068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97563	8.2
59.01378	10.6
61.98810	1.9
70.08102	5.3
76.97024	3.0
79.95734	82.3
80.96515	21.1
87.02756	2.0
94.26003	1.4
96.95998	1.7
108.95982	9.2
126.12883	6.7
140.93225	31.6
145.80623	1.8
156.94125	1.6
172.13441	9.6
181.06564	3.3
186.09668	2.5
210.99773	2.1
224.13698	6.5
225.01340	6.3
225.05617	2.0
236.09610	86.1
237.09865	4.5
250.05725	2.9
268.06821	100.0
269.04477	2.0
269.07181	2.8
269.13937	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43651	0.3
59.01381	2.3
64.80989	0.3
69.40572	2.2
71.01376	0.6
72.99311	4.7
73.02953	0.3
75.00872	1.8
79.95729	0.5
85.02954	0.8
87.00871	0.6
93.03448	0.3
96.96005	1.4
97.10287	0.3
105.01933	100.0
106.02274	1.0
121.02968	0.3
132.02135	0.5
133.02951	6.5
134.03781	0.5
135.04523	9.5
156.72844	0.4
161.02437	33.4
162.02815	1.3
179.03487	3.6
183.08188	0.3
207.69456	0.3
223.06369	0.4
267.01987	0.5
267.05124	3.1
267.08868	1.3
267.11993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03445	5.1
57.80479	0.7
59.01381	100.0
63.88463	0.7
69.39282	4.9
70.30982	0.8
71.01378	2.0
71.05027	2.1
79.95736	4.3
80.96521	1.2
83.01411	1.7
83.05034	1.2
85.02989	0.9
87.00877	4.0
96.95992	1.8
97.02924	0.9
98.20201	3.0
105.01949	1.3
112.45385	0.8
130.07306	0.8
130.08781	0.8
138.04674	1.2
140.93224	1.3
147.55493	0.9
161.02586	0.9
161.09738	1.3
161.13377	4.5
163.11249	2.1
166.04910	0.7
187.11327	1.2
205.12321	2.1
207.10211	2.9
223.13374	54.4
224.13701	2.7
236.09727	4.0
249.13690	0.8
250.07732	0.8
267.09537	1.4
267.12350	12.5
267.15912	2.9
268.06900	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56815	0.3
59.01383	2.3
62.69886	0.3
69.72655	1.5
72.99302	4.9
75.00871	2.2
75.51677	0.3
97.81667	0.3
100.00140	0.4
105.01935	100.0
106.02258	1.2
133.02959	7.5
135.04521	3.9
161.02441	37.3
162.02783	1.1
179.03474	2.1
267.05032	2.4
284.71243	0.3
284.77979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
69.73428	1.5
71.82149	0.5
72.99306	4.9
75.00881	2.2
77.07961	0.4
87.18568	0.4
92.64688	0.4
99.45523	0.4
105.01933	100.0
106.02272	1.1
123.90091	0.4
133.02953	6.7
135.04512	4.2
161.02437	38.4
162.02774	1.6
179.03508	2.2
238.53766	0.5
267.04935	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	267.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13632	0.3
59.01382	1.5
69.22939	2.9
72.99306	5.0
75.00862	2.8
80.96521	0.3
98.19919	0.4
105.01932	100.0
106.02272	1.5
108.02165	0.3
112.16626	0.3
112.91360	0.3
118.92711	0.3
132.02208	0.4
133.02957	7.4
135.04527	4.2
135.25108	0.3
149.80945	0.3
161.02435	38.2
162.02780	1.7
166.14616	0.3
170.62468	0.3
179.03497	2.6
267.05054	2.6
267.09375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95728	1.8
80.60284	0.3
82.74572	0.3
95.95267	0.5
96.96010	100.0
98.19919	1.0
109.04562	0.3
164.25769	0.3
229.33588	0.3
265.14777	77.2
266.15109	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93824	0.5
59.01379	2.6
67.97923	0.7
70.99249	1.2
87.00879	12.2
91.05540	6.5
96.50962	0.6
96.96013	1.5
98.20280	1.0
100.47131	0.6
105.01933	3.1
107.05042	2.4
117.07111	10.2
119.05021	1.4
121.02965	1.4
133.06602	8.9
134.03751	7.9
135.04527	100.0
136.04851	2.9
143.05028	0.6
149.06017	4.0
151.86055	0.6
153.09259	2.0
156.06363	0.6
161.02437	1.1
161.06055	5.7
161.42479	0.6
163.03937	0.8
163.11281	1.1
177.05556	13.9
178.05780	0.7
179.03481	0.7
205.05060	16.7
205.12317	1.3
207.02983	26.2
208.03275	0.8
223.06120	1.5
267.05090	82.7
267.08469	3.8
268.05463	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	264.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
66.63963	0.4
69.40639	1.1
69.41042	2.7
72.00908	11.1
75.62325	0.5
79.95769	0.5
91.05544	0.8
91.40888	0.5
96.00912	5.9
96.96015	2.0
97.01707	1.3
98.19984	1.1
103.05565	1.8
118.06604	0.6
119.05038	0.6
144.08081	0.5
145.06641	2.7
147.04518	38.4
148.04872	1.2
164.07156	100.0
165.07484	2.9
188.07158	65.1
189.07524	2.5
190.05122	1.0
232.06203	1.0
237.72142	0.5
264.08710	1.9
264.12540	0.6
265.07339	2.7
277.24750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83155	1.0
57.03434	2.5
58.00580	4.6
59.01380	100.0
59.21297	1.0
69.47253	4.1
69.47679	3.0
71.01382	57.9
72.01690	1.2
72.99313	5.0
73.02940	1.5
75.00875	2.7
77.42248	0.9
78.95945	1.3
79.95731	1.1
80.96530	2.5
83.01398	2.0
85.02953	59.7
87.00880	4.9
89.02445	70.9
95.01388	5.1
96.95998	2.8
98.20428	3.5
101.02442	30.5
103.03993	1.3
111.00867	2.1
113.02449	20.7
119.03505	31.4
120.99575	1.1
124.98495	1.2
129.02014	1.5
131.03508	3.3
134.04713	8.6
135.04517	1.1
143.03505	4.4
149.02513	1.9
149.04536	1.9
149.56602	0.9
161.04597	4.8
161.42644	1.0
165.06807	1.2
177.01920	2.6
179.05594	8.8
201.80872	0.9
211.20891	1.3
265.03537	1.5
265.09302	16.4
289.63223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01376	2.9
67.42906	0.4
71.01360	0.5
71.51336	0.4
71.51820	0.7
101.21006	0.5
219.20963	0.5
263.20142	100.0
264.20502	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
50.23119	0.6
55.70354	0.7
57.03447	0.7
59.01373	9.6
60.57790	0.6
71.01377	1.1
71.52567	0.6
71.52943	0.9
80.24283	0.8
83.05025	1.6
96.96024	1.3
97.06579	0.8
101.02399	1.8
109.02962	0.9
109.06596	2.2
111.04503	1.6
113.02455	1.3
119.08656	1.6
121.06578	1.2
123.04456	0.9
125.06096	3.1
132.60370	0.7
135.08125	1.9
136.05281	6.5
137.09724	1.2
139.07635	0.8
148.05287	2.1
149.06035	0.7
151.07635	1.6
152.08482	3.2
153.09161	0.7
153.87755	0.7
159.04491	0.7
159.11746	0.8
161.09677	2.0
163.07611	1.8
171.08180	0.9
175.07605	1.4
185.09727	4.3
186.10442	0.7
188.08389	1.4
189.09221	5.9
201.09230	0.8
201.12845	16.8
203.10757	16.2
204.11542	42.6
205.11937	1.9
219.13881	36.7
220.14177	1.1
225.98415	0.8
245.11661	1.4
263.12857	100.0
264.13181	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	263.1289
Annotation	gamma-Perezol
Peak:m/z	Relative Intensity
57.03433	5.5
59.01379	40.3
71.01382	6.7
80.96563	3.1
83.05017	4.8
84.47233	3.2
95.05022	4.2
97.02956	10.6
99.04534	4.0
107.05077	3.6
108.05849	5.8
109.02951	5.1
111.04511	15.0
113.06104	13.0
119.08663	6.1
121.06583	4.9
122.03770	9.1
123.04487	4.2
123.08163	8.3
125.06052	15.5
125.73418	3.0
135.08160	5.7
136.05305	17.0
137.06053	6.1
138.06866	19.5
139.07663	39.1
148.05292	9.1
149.06111	3.8
149.79549	2.9
151.04065	3.5
151.07649	79.9
152.04790	7.1
152.08418	34.2
153.09215	11.5
159.11812	4.8
161.09737	10.2
163.07635	16.9
167.07082	4.9
175.11327	5.4
189.09183	6.5
201.12883	32.2
203.10764	23.8
204.11557	66.8
205.11969	4.1
219.10498	5.1
219.13902	100.0
220.14226	3.5
236.10486	3.9
263.01941	4.2
263.09607	5.5
263.12860	49.5
263.15921	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	10.8
59.01378	7.1
61.22063	0.9
61.89602	0.9
63.43131	1.0
69.24849	4.7
69.25266	3.2
69.37172	1.0
71.01408	2.4
71.05022	18.2
72.02174	2.6
72.99302	1.8
73.02951	7.7
73.04072	9.0
73.06575	9.6
78.95919	2.1
79.95726	1.2
82.00599	1.3
83.01378	4.7
85.02985	1.7
85.06586	1.5
87.00874	68.3
96.95988	4.5
97.04086	2.8
100.01659	7.3
101.02441	1.6
101.06104	3.9
111.08164	6.8
115.05130	13.5
117.05673	1.0
125.99590	100.0
129.09218	29.4
130.99881	2.1
135.98358	2.2
142.27567	0.9
146.02528	1.1
147.02872	1.8
147.04515	3.7
157.08690	13.9
157.98578	8.3
159.06612	7.0
164.07198	5.7
175.03989	1.1
177.10394	3.4
183.06618	80.2
184.07014	2.2
201.07680	5.8
223.87050	0.8
229.91920	1.5
245.06703	5.1
263.07758	51.2
263.10361	8.8
264.08038	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	261.088
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
59.01378	6.4
69.35380	1.7
69.35788	2.6
70.02984	10.7
72.04553	4.2
74.02472	100.0
75.02788	0.7
84.04539	1.1
95.68648	0.6
98.02477	22.8
116.03538	55.3
128.03561	5.8
132.03540	1.3
132.04550	26.9
133.04855	0.8
144.04549	6.5
165.48497	0.6
171.86485	0.5
172.22804	0.6
175.08740	1.5
201.06682	14.9
202.06792	0.7
219.07784	2.6
243.07669	0.9
252.87915	0.6
261.08786	32.6
262.09058	2.0
276.00574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
55.01870	1.2
59.01379	47.2
67.84689	0.9
68.81470	0.8
69.48540	1.4
69.48937	5.1
71.01389	1.6
72.99293	2.3
73.02942	59.6
74.02466	9.4
79.95718	1.7
85.02938	1.3
90.59766	0.9
92.14645	0.8
96.96010	2.3
96.96949	1.2
97.06618	1.4
98.02489	1.9
98.19907	1.8
99.00858	2.2
109.02931	1.7
111.00896	1.1
116.03590	4.5
116.04291	1.0
121.63849	0.9
125.09722	4.0
128.03519	1.3
129.20015	0.8
130.04173	1.0
132.02155	1.3
132.04724	4.3
133.02937	5.8
133.06935	1.4
134.03619	0.8
135.04501	0.8
137.02429	1.5
138.05591	1.8
144.04576	1.6
149.75517	0.9
160.01700	2.9
161.02448	19.1
169.08696	1.0
171.10316	1.3
173.06071	1.6
174.03296	1.7
175.03955	4.5
181.12363	1.5
187.08122	1.8
187.09766	32.1
188.10010	1.0
189.05508	1.9
199.13393	8.6
201.06679	1.3
201.11328	35.9
202.11584	1.4
214.93002	1.0
217.04955	3.2
217.08693	1.2
238.48502	0.9
243.12341	9.1
261.04193	2.3
261.07443	4.7
261.13416	100.0
262.11206	1.0
262.13779	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	260.9653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
60.99302	0.6
70.67118	1.5
71.01382	14.9
72.99310	11.5
73.17475	0.4
76.95886	0.8
78.95899	2.3
80.91672	1.6
85.01044	0.4
85.02932	0.7
87.00892	0.7
87.46362	0.4
88.98797	3.2
89.02437	2.6
94.92511	1.5
96.96953	1.3
98.97400	0.7
110.96969	0.8
115.00372	43.6
116.00641	0.6
118.94215	1.4
133.01430	100.0
134.01797	2.0
139.67943	0.5
145.03171	0.9
148.94414	0.7
152.95966	8.0
154.43808	0.6
170.97008	11.8
171.00691	0.6
174.90889	0.8
178.88492	0.5
190.04034	1.0
231.41125	0.6
260.87448	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48047	1.3
57.03441	3.2
59.01374	6.4
60.96390	1.4
63.40928	1.2
68.79238	1.2
69.03448	1.2
71.09158	3.4
78.95914	4.5
83.05045	2.6
95.05056	2.0
96.96974	9.1
97.06574	1.8
99.92591	5.8
111.08154	2.6
115.92076	1.9
116.92837	3.3
125.09727	2.7
144.90724	1.5
149.96246	1.2
163.11292	1.8
165.12851	25.5
183.13887	24.6
184.14116	1.3
197.15482	4.0
199.13414	10.7
209.11819	19.3
221.84218	5.1
223.84007	3.0
227.12880	100.0
228.13181	3.8
241.14458	1.7
242.79381	1.8
245.55557	1.4
259.15482	35.0
260.15720	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	260.0233
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
52.28447	0.7
57.38804	0.7
59.01361	0.6
66.12717	0.5
71.50309	1.2
72.00909	9.1
72.99305	0.7
74.02467	6.8
78.57037	0.6
78.95884	0.9
79.95734	23.0
80.96520	1.6
88.84822	0.7
91.02515	0.6
93.03452	18.9
96.19431	0.7
96.96963	1.7
98.02460	2.5
106.04248	4.0
107.05021	2.1
119.05026	56.0
120.05339	1.3
128.03484	1.3
129.99680	2.7
134.06085	1.3
135.04524	4.9
136.07605	0.8
163.02722	1.4
163.03993	10.3
180.06660	62.2
181.07030	1.6
185.99895	4.0
199.00696	32.8
200.01093	1.6
215.00172	13.5
217.98834	1.0
242.99631	1.3
260.02316	100.0
261.02704	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.5
58.56997	1.8
59.01376	4.9
65.71899	2.0
69.03454	6.8
69.48932	14.8
71.01379	2.6
71.05013	6.3
72.07803	2.0
73.86645	1.7
74.28534	2.3
78.95918	13.2
79.33877	1.7
83.05046	2.1
87.00897	2.7
96.96956	20.1
98.19911	3.0
99.00875	16.6
116.36063	2.3
125.09701	5.7
138.98068	2.2
151.11293	2.3
153.12831	5.7
171.10234	2.8
179.10791	6.7
183.10275	3.9
197.11819	100.0
198.12100	4.8
223.09641	3.3
241.10796	6.8
258.87827	5.3
259.02362	7.5
259.11792	5.2
259.15451	27.2
259.85034	2.1
277.78909	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	257.1758
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
54.17209	0.4
58.92869	0.4
59.01375	2.1
61.98819	0.3
62.43106	0.3
69.03446	1.6
69.84876	0.4
71.52538	0.6
83.05017	1.8
86.82945	0.4
97.06597	0.5
99.92603	0.9
115.92085	0.6
116.92863	4.3
117.73444	0.4
125.56858	0.4
129.14145	0.4
137.09702	0.9
158.93904	1.2
165.12871	0.9
193.12328	19.2
194.12645	1.0
197.15463	0.9
202.67619	0.5
203.97267	1.2
221.84230	0.6
225.14944	28.1
226.15283	1.7
257.17575	100.0
257.94165	1.3
258.17917	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
58.62399	0.3
61.68513	0.3
69.84158	0.3
71.10559	0.5
78.95900	58.4
96.96957	100.0
101.02437	0.7
117.81664	0.3
138.98033	5.9
156.09167	0.3
168.99078	3.7
199.00125	3.8
223.00122	0.6
241.01285	0.8
259.02228	15.3
260.02533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03454	4.8
59.01390	4.8
59.01617	0.9
62.96392	0.8
68.00124	0.8
69.03442	0.8
70.13708	2.3
70.65220	0.7
71.05025	9.3
83.05017	2.0
86.58524	0.7
95.05037	2.1
97.02969	3.4
97.06582	15.8
99.00879	26.9
99.08163	3.1
99.92577	1.6
109.06555	1.5
116.92848	15.3
117.92864	1.3
123.08168	10.2
125.09718	100.0
126.10058	2.7
127.07649	9.2
127.11276	0.8
129.09225	3.9
130.91545	0.8
138.16396	0.8
141.67323	0.8
142.02719	0.8
143.10800	1.2
158.93892	1.6
163.11211	4.2
177.82265	0.9
181.12352	12.7
184.90099	0.9
187.23882	0.9
203.97253	1.9
207.10251	23.5
213.09151	7.6
213.14969	1.9
221.84230	1.2
225.11310	80.0
226.11606	3.5
230.57343	0.8
239.12834	3.2
239.16495	1.7
257.08176	3.3
257.13913	46.3
257.17535	21.1
257.23862	3.9
257.94186	1.4
258.14319	2.0
258.18005	1.3
258.20648	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.76025	1.1
69.20170	9.9
76.08859	1.2
83.79040	1.0
83.79619	1.1
84.57365	1.0
91.64951	1.0
98.20691	2.0
211.04028	3.0
227.03511	1.8
255.03011	19.5
255.23267	29.6
256.03506	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54560	1.0
55.01868	1.7
57.03442	8.8
59.01364	3.4
66.93451	1.0
69.03454	6.1
70.06435	4.0
71.01373	2.2
71.05020	21.6
80.02670	1.1
83.05022	4.9
95.05016	2.1
97.02920	5.8
97.06595	16.4
98.20630	1.9
99.00882	20.7
99.92569	1.8
106.35316	1.0
109.06599	3.1
110.03749	1.7
112.98542	1.3
116.92870	6.0
119.92168	1.0
123.08154	10.1
125.09724	100.0
126.10137	1.3
135.08218	1.3
142.02728	2.4
142.39941	1.0
145.10150	1.0
151.11209	1.4
153.09225	5.7
153.12854	3.6
158.93886	1.4
163.11292	23.0
179.10750	3.4
181.12340	65.5
182.12669	2.6
197.11868	1.5
203.97275	2.4
207.10239	40.4
208.10651	1.2
213.14943	2.2
219.84578	5.0
221.84239	8.0
225.11310	95.5
226.11642	3.7
239.12892	2.9
257.13934	57.8
257.17493	3.0
257.23907	2.9
258.14182	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	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21125	0.3
59.01379	3.4
60.01714	1.3
61.98829	100.0
68.98457	0.4
69.87402	1.8
71.01386	0.5
73.57892	0.3
75.00882	0.9
78.95914	1.7
81.09129	0.4
87.92538	0.5
96.96021	3.5
103.92038	2.2
111.56685	0.5
113.02449	0.4
117.81258	0.5
142.99867	0.8
148.00072	0.4
152.89529	0.5
160.91832	0.4
172.48912	0.4
180.85927	0.8
181.85728	3.9
182.85995	8.2
194.07465	0.8
200.91066	1.0
254.88557	0.4
255.23276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01374	3.0
67.62171	0.7
69.03457	54.6
69.17665	7.4
69.17992	1.5
71.01369	9.4
71.05021	6.2
81.03451	2.1
83.05023	2.2
86.68081	0.7
95.05039	2.9
97.02953	1.8
97.06580	4.0
101.37202	0.6
107.05015	0.9
108.02187	1.1
109.06590	2.0
111.04480	3.5
121.06617	2.5
123.04552	0.7
123.08163	29.6
125.09729	17.0
126.81973	0.7
137.09715	11.2
149.09694	3.2
151.07649	0.7
151.11284	5.0
152.35515	0.8
159.08093	0.8
161.09720	8.8
164.16460	0.7
177.09183	1.2
179.10776	100.0
180.11104	4.7
198.78682	0.7
205.08647	1.2
209.51479	0.7
211.13368	13.4
223.09758	12.0
234.68434	0.7
255.12379	45.5
255.23265	24.7
256.12689	2.4
256.23624	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	253.2172
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
50.74581	5.4
59.01383	57.7
61.25790	5.3
64.04602	5.0
66.54883	4.7
71.26334	9.6
94.65559	5.3
95.73701	5.4
101.02413	6.3
147.27386	4.8
156.08919	4.7
158.40048	4.8
171.07321	6.1
193.07158	11.7
253.21753	100.0
259.47723	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	254.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25574	0.3
59.01374	1.6
60.01695	0.5
61.98829	100.0
69.34409	2.5
71.01393	0.8
72.01701	0.3
78.95914	1.4
87.92554	0.6
90.02869	0.3
94.09846	0.4
96.96008	3.5
98.17107	0.3
103.92035	3.2
112.98825	0.4
113.02424	0.4
115.00408	0.5
116.00708	0.4
121.16779	0.4
133.01413	0.8
134.01782	1.2
142.99823	0.9
152.89536	0.6
158.90009	0.4
176.44984	0.4
180.85919	1.5
181.84045	0.7
181.85690	5.4
182.85991	10.9
186.93355	1.8
200.91042	0.5
210.90512	0.4
227.34029	0.3
236.00459	0.5
240.66446	0.3
249.67229	0.3
254.84415	0.5
255.23320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38943	0.5
54.26250	0.5
59.01385	4.4
69.69079	2.0
72.99297	4.1
74.02473	1.3
75.00871	1.7
76.37864	0.6
78.16425	0.6
85.02991	0.8
87.00875	4.9
96.96011	1.0
98.19861	0.7
105.01933	100.0
106.02267	1.3
114.66290	0.5
117.03465	2.6
119.05027	21.4
121.02940	1.1
122.03306	0.6
126.28421	0.6
135.04561	0.8
145.02942	14.3
161.02425	0.6
163.04007	31.8
163.49597	0.6
164.04306	1.4
207.08546	0.7
251.01938	0.7
251.05357	3.3
251.07805	1.2
252.08664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0721
Annotation	4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid
Peak:m/z	Relative Intensity
58.02977	75.9
58.71891	0.8
59.01396	4.6
61.17930	0.8
61.98817	2.1
71.01380	1.5
71.51037	1.3
72.00919	4.3
72.99302	0.8
73.02966	0.9
79.95718	1.4
80.91669	1.3
83.01384	1.2
85.02936	1.9
91.05530	2.3
96.95983	4.1
101.02417	1.9
104.67433	0.8
113.02439	1.5
119.04997	1.9
135.04539	10.3
147.03383	1.4
147.04521	23.2
153.22781	1.0
162.02039	1.2
162.09268	6.8
163.04033	3.3
164.01715	0.9
164.07149	3.2
177.08980	1.0
177.96747	1.0
191.03494	39.0
191.81996	0.9
192.03824	1.4
193.26732	0.8
205.04515	1.4
206.08203	7.7
208.06146	49.2
209.06389	1.4
220.06932	1.0
250.07182	100.0
250.14398	14.7
251.07722	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	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
69.37552	6.6
72.99310	6.4
75.00871	1.9
76.72839	1.0
83.30989	0.9
87.00874	15.8
96.96021	0.9
100.11241	0.9
105.01933	100.0
106.02273	1.0
108.57031	0.9
117.03467	3.5
119.05026	58.8
120.05398	1.5
139.04279	0.8
140.07106	1.0
144.04539	1.6
145.02942	14.8
146.05200	1.3
163.04001	94.0
164.04327	2.9
185.61963	1.0
192.05627	1.3
251.05551	4.8
251.09355	1.3
265.68210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96303	0.8
55.04807	1.0
58.02976	20.5
59.01377	2.0
60.84707	1.0
61.98829	2.0
70.02989	7.9
71.01382	1.1
71.22659	1.8
72.00900	7.4
76.47149	0.9
78.95915	1.3
79.95739	1.3
80.44166	0.9
90.52056	1.1
91.05529	8.1
96.96011	4.3
98.20338	1.2
104.03528	1.5
119.05004	4.3
130.70164	1.2
135.04524	1.7
145.02945	2.0
145.04874	1.7
147.03366	2.2
147.04526	40.1
147.06331	1.7
148.04842	1.3
163.03987	3.2
164.07159	100.0
165.07504	3.1
166.70039	1.0
191.05414	2.4
205.04375	1.1
206.08218	79.9
207.08490	3.2
250.07147	1.4
250.14470	12.5
251.05585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0721
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
59.01365	13.0
61.98817	9.8
71.01391	4.7
71.52577	4.5
85.02962	3.5
91.05524	12.2
96.95977	8.5
101.64383	3.0
118.06624	83.4
119.07003	4.9
124.44715	2.9
146.06125	52.7
147.03250	4.8
147.04488	13.6
147.06375	3.6
177.96622	5.7
189.92912	4.0
190.05072	40.7
198.21892	2.9
206.04547	5.3
206.08205	6.1
218.04530	12.2
224.46182	2.9
232.54733	3.4
250.07158	100.0
250.11699	3.8
250.14449	59.2
251.09473	7.8
253.19084	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	249.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52868	0.6
57.03445	1.2
59.01367	2.4
61.98820	1.2
68.99551	0.7
69.56398	1.4
69.56802	3.4
71.01373	1.5
73.02931	0.9
77.00642	0.8
79.95758	0.6
83.05025	4.2
87.18035	0.6
92.61633	0.5
95.38419	0.6
97.06582	5.0
101.02431	0.7
103.56644	0.6
111.21285	0.7
112.98608	1.1
115.92106	0.8
116.92823	0.7
121.02963	1.1
121.06551	1.0
137.09718	2.6
161.02393	1.0
177.96658	0.8
187.14917	1.9
191.03445	1.2
204.04222	3.3
205.08620	1.1
205.15988	1.6
219.06639	2.7
231.10103	0.7
231.13785	1.0
248.97278	2.4
248.99902	0.7
249.14951	100.0
250.14975	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	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.66986	0.1
53.83635	0.1
53.90791	0.1
56.19226	0.2
57.03454	0.2
57.36198	0.1
59.01375	0.4
61.98817	0.4
67.96497	0.2
69.14935	0.6
69.15362	0.9
71.01383	2.9
99.27315	0.1
103.04007	1.7
115.92107	0.2
119.75163	0.1
157.05028	0.5
179.07045	0.2
184.00192	0.7
205.15997	0.2
220.17091	0.4
231.13979	0.4
247.17018	100.0
248.07997	0.7
248.17352	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	249.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	5.1
59.01355	0.8
61.45935	0.6
63.13491	0.5
69.30576	2.9
69.31006	2.2
73.75225	0.5
85.60044	0.6
90.00943	0.5
92.05058	3.6
93.66280	0.6
116.05070	3.2
117.03468	0.7
118.06628	17.5
119.06924	0.8
128.05061	19.8
131.03761	15.6
132.81094	0.6
133.79187	0.6
144.04549	100.0
145.04921	3.7
146.06116	46.6
147.06500	1.8
172.04039	9.8
174.91528	0.6
190.05095	79.7
191.05431	2.4
249.08844	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	247.1338
Annotation	[4]-Shogaol
Peak:m/z	Relative Intensity
57.03450	1.5
59.01376	3.5
59.32598	0.4
61.98825	1.4
69.36211	3.3
71.01382	12.6
75.00897	0.6
79.05535	1.1
81.03466	2.4
88.77589	0.6
90.97134	0.5
95.08654	1.1
97.06590	2.5
103.04014	5.9
103.54932	0.4
107.05028	0.6
108.02196	0.5
115.92093	1.1
116.92845	0.8
119.08679	1.8
121.06586	9.8
121.10230	2.7
130.99330	0.5
132.98184	1.2
135.08121	0.7
137.09720	76.8
138.10059	1.7
147.08159	33.4
148.08502	1.1
157.05038	1.6
159.63393	0.5
161.13391	0.7
171.08125	0.9
173.05408	0.5
174.99265	1.9
185.13361	1.0
186.95612	4.8
187.11275	10.2
189.30872	0.5
203.14398	48.9
204.14752	2.5
209.09370	0.5
232.03915	0.5
247.13379	100.0
248.13722	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	247.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03443	6.9
59.01367	5.4
61.01003	1.9
69.03459	2.2
70.48832	3.8
71.01381	18.3
71.05013	1.9
71.60346	1.5
72.99303	5.3
73.02928	1.6
78.95896	3.9
80.96514	10.3
81.03455	29.0
83.01388	58.6
84.01676	2.3
85.02959	7.2
87.00874	64.4
87.04500	10.4
88.98788	5.0
89.02954	1.4
96.96031	1.7
96.96964	2.2
97.02943	9.4
99.00900	3.3
99.04503	6.1
101.02433	3.9
101.73007	1.4
103.04024	6.9
103.92030	2.9
109.02954	19.5
111.00880	13.7
115.02026	2.3
115.04013	2.6
123.04514	1.4
125.02453	18.6
127.00371	17.3
127.04005	6.9
141.05600	2.8
143.03458	2.4
150.24309	1.4
153.01848	1.8
157.03059	3.6
157.05038	3.8
159.02991	100.0
160.03304	3.1
174.19107	1.5
174.86082	2.3
174.98285	5.0
175.04147	7.9
185.04414	2.9
186.95580	5.0
187.02477	6.4
213.11519	1.5
219.05025	3.9
229.03441	3.1
232.03651	1.7
246.96602	2.1
247.02466	6.7
247.04797	11.6
247.08055	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	246.0171
Annotation	Pyridoxal 5'-phosphate
Peak:m/z	Relative Intensity
51.12682	0.3
59.01376	1.1
62.96392	0.5
70.21018	1.1
70.21368	0.5
71.01371	0.6
72.99292	0.5
73.02949	0.8
74.99129	0.4
78.95902	74.3
85.02940	0.8
87.00887	1.6
87.92519	0.8
92.05054	0.5
96.96960	100.0
98.02482	0.7
98.20590	0.4
99.00854	0.5
99.92580	0.6
101.92371	0.4
102.05586	0.4
103.92009	0.9
104.92803	0.5
112.98804	1.0
116.18582	0.3
117.01919	0.6
118.02270	0.9
119.63482	0.3
125.02383	0.4
128.03531	0.6
128.13026	0.3
138.05595	0.3
142.05154	0.4
148.04042	0.7
166.05063	0.6
174.86076	0.4
175.00539	0.7
181.90051	0.3
186.07716	0.5
189.32130	0.4
218.02193	0.8
228.00586	2.0
245.94774	0.4
245.99284	0.4
246.01640	5.2
246.09842	0.6
246.98987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0931
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02975	23.6
65.31408	1.3
70.02979	14.4
70.26117	3.0
70.26485	2.2
72.00905	5.2
72.04552	4.2
74.02474	97.0
86.69682	1.4
98.02486	23.5
98.19962	1.8
98.20503	2.1
116.03542	32.2
116.05070	34.0
117.05382	1.4
130.06615	3.9
142.06635	7.4
149.46390	1.3
159.09296	8.0
183.09273	1.6
201.10388	9.1
203.08264	95.6
204.08554	2.6
227.09738	1.3
235.16748	1.4
245.09299	100.0
246.09596	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	245.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42824	1.0
58.02713	1.7
58.02976	23.3
59.01368	4.0
61.98818	2.0
65.00338	1.2
70.02984	16.2
70.81571	2.3
71.01366	1.9
72.00907	5.5
72.04540	3.4
74.02471	100.0
78.95912	2.2
80.98825	0.9
86.02358	0.9
96.97009	1.2
97.31340	1.0
98.02471	23.1
98.20264	1.5
99.92571	2.2
100.92580	2.4
109.02908	1.5
111.39055	1.0
116.03545	28.6
116.05058	36.4
117.05374	1.2
130.06636	6.8
137.02417	1.3
142.06613	8.1
145.02982	1.4
156.08138	1.4
159.04536	2.9
159.09219	6.7
161.02408	1.7
173.02448	1.8
173.06149	1.8
174.03194	3.8
183.09387	1.8
186.05550	1.5
189.05479	1.1
201.05560	6.2
201.10258	10.0
203.08250	87.9
204.08627	2.7
212.94194	1.1
217.05003	1.2
245.04680	8.4
245.09291	99.5
246.05069	1.3
246.09608	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	245.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55764	1.2
59.01377	37.6
61.19289	1.1
69.73994	6.7
71.01379	13.4
72.99290	1.3
78.95906	32.6
83.01382	1.9
85.02927	1.4
87.36557	1.3
89.02441	22.3
91.21094	1.1
92.92799	39.0
94.92510	100.0
94.98097	1.4
96.92213	14.0
96.96975	7.6
100.53036	1.3
101.02446	39.0
108.90202	13.2
110.89913	7.5
112.89652	2.3
113.02444	3.0
119.03506	50.8
131.03450	1.7
143.03499	1.4
149.04578	2.9
152.99585	19.0
170.97855	2.5
171.00620	8.9
179.05659	2.1
191.05562	1.6
209.06653	20.9
245.04333	32.0
246.04755	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	245.0433
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.55764	1.2
59.01377	37.6
61.19289	1.1
69.73994	6.7
71.01379	13.4
72.99290	1.3
78.95906	32.6
83.01382	1.9
85.02927	1.4
87.36557	1.3
89.02441	22.3
91.21094	1.1
92.92799	39.0
94.92510	100.0
94.98097	1.4
96.92213	14.0
96.96975	7.6
100.53036	1.3
101.02446	39.0
108.90202	13.2
110.89913	7.5
112.89652	2.3
113.02444	3.0
119.03506	50.8
131.03450	1.7
143.03499	1.4
149.04578	2.9
152.99585	19.0
170.97855	2.5
171.00620	8.9
179.05659	2.1
191.05562	1.6
209.06653	20.9
245.04333	32.0
246.04755	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	245.0067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51344	0.4
57.03434	0.8
59.01374	2.0
60.99301	1.2
64.18581	0.4
67.01894	0.6
68.99810	0.6
69.03457	1.1
69.45024	1.8
71.01392	3.8
72.99306	2.8
73.02947	12.7
73.03364	0.8
75.00893	0.5
76.85269	0.3
78.95905	100.0
79.95737	0.7
80.96531	0.9
81.03445	1.1
83.01379	0.6
83.05049	0.6
85.02956	1.6
87.00881	1.7
87.92529	0.9
88.98811	7.9
89.02362	0.4
93.03461	1.0
95.05009	1.0
96.96964	80.1
97.02939	1.0
98.20528	0.8
99.00870	3.0
99.04565	0.5
99.92593	2.3
100.92596	3.6
101.02430	2.4
103.92020	1.6
104.92796	1.0
111.00878	1.1
111.04495	0.4
112.98792	0.8
113.02483	0.5
113.06068	0.9
115.00349	3.2
115.92077	0.5
116.07172	0.5
116.92879	1.2
117.01944	33.7
118.02202	0.5
119.03529	0.7
120.26387	0.4
121.02924	0.4
122.64256	0.4
125.02428	0.8
127.04004	0.5
129.01945	6.8
129.10332	0.5
130.08694	0.4
133.01424	7.5
133.05063	1.7
135.17435	0.4
136.98543	2.3
138.04686	0.4
139.04034	2.0
139.07646	0.4
144.98180	0.6
147.03014	3.5
152.99577	4.0
154.97525	16.7
154.99513	3.8
155.03282	0.5
157.05074	0.5
158.92577	2.4
158.93750	0.7
169.01378	0.5
171.00626	1.4
172.97678	1.5
173.01004	0.6
173.04329	1.8
183.06540	0.5
203.60942	0.4
217.03297	1.9
226.98833	1.4
244.99768	6.0
245.04672	5.0
245.06656	1.2
245.11349	0.6
246.01572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10016	0.5
56.30296	0.5
57.03448	1.0
59.01378	2.2
60.99308	0.6
69.03488	1.3
70.62891	1.2
70.63245	0.8
71.01390	3.9
72.99312	3.2
73.02942	2.5
78.95904	70.1
81.03465	0.7
83.05009	0.7
85.02950	1.8
87.00873	2.4
87.92525	0.7
88.98804	2.0
93.03428	0.7
94.98086	0.7
95.05075	0.9
96.96963	100.0
97.02952	0.8
97.06592	0.6
99.00866	1.1
99.92601	1.7
100.92596	3.6
101.02438	3.8
103.92016	1.8
104.92820	0.8
111.00890	1.4
112.98724	0.7
113.02438	1.0
113.06065	0.6
115.00373	3.3
115.05156	0.5
116.92892	0.6
117.01952	5.7
118.79366	0.6
119.03497	1.0
121.06519	0.6
125.02465	0.8
127.03983	0.6
129.01949	5.8
133.01439	4.7
133.05080	1.0
136.98567	2.4
139.04019	1.9
147.02980	2.9
152.99600	7.2
154.97551	2.7
154.99628	3.7
157.04924	0.6
160.23116	0.5
171.00607	2.6
173.00941	0.7
173.02750	0.7
173.04355	1.6
173.05956	0.8
217.03380	0.9
245.00117	1.8
245.04314	7.6
245.06667	1.1
245.98329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1601
Annotation	TRIDECANEDIOIC ACID
Peak:m/z	Relative Intensity
53.00848	0.7
59.01376	6.2
61.98831	35.9
63.28407	0.5
66.91158	0.5
67.01884	1.8
71.01382	0.6
71.52142	0.7
71.66354	0.6
79.16067	0.5
87.99587	0.6
89.04794	0.6
97.02965	0.8
99.92587	14.0
101.06115	0.6
101.15177	0.5
103.92020	1.4
110.02466	1.0
111.00871	1.3
115.92072	1.1
116.92844	0.7
125.09634	0.7
127.11314	1.1
139.11299	2.0
151.91441	0.6
169.12267	0.6
173.92607	1.8
174.27309	0.7
181.12346	2.0
183.10175	3.0
196.90692	0.7
197.11827	1.1
197.15428	1.8
197.90636	4.9
199.13416	1.1
207.10286	2.2
213.73904	0.6
225.11346	3.9
225.14980	2.0
241.14487	0.9
243.03122	1.1
243.12444	8.4
243.16000	100.0
243.89885	7.3
244.16359	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	244.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.4
60.99291	0.9
61.98838	1.1
71.01382	16.0
71.50108	1.2
72.99306	21.5
73.02943	1.9
75.00883	2.6
78.95908	8.9
86.98521	1.0
87.00867	1.8
87.92516	1.0
88.98804	3.5
89.02445	2.8
94.92508	2.8
96.96011	2.7
96.96967	5.0
99.00881	1.6
101.00095	3.7
101.02433	2.1
103.00385	3.9
103.92027	0.8
107.31644	0.7
108.90224	0.8
112.98599	8.5
115.00374	44.3
117.01949	3.2
119.03496	3.2
122.17850	0.7
127.92507	0.7
133.01430	100.0
134.01759	0.9
136.94125	0.7
136.98566	42.7
151.65039	0.7
152.95972	0.9
152.99599	4.6
153.99017	0.8
154.49081	0.7
154.90558	1.1
154.97552	2.0
154.99623	64.0
155.99980	0.9
156.63745	0.7
158.93434	1.4
170.89282	1.0
170.96980	1.5
170.99113	1.8
171.00673	2.1
172.99411	2.6
173.02615	1.5
202.08572	0.7
203.91733	0.7
245.01054	1.6
245.04488	5.6
246.03038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03445	14.4
59.01380	12.3
61.98829	52.4
67.01890	2.4
69.03432	1.1
70.58530	2.2
71.01369	1.2
72.54443	0.9
73.02943	2.0
83.05024	2.6
85.06658	1.2
95.05004	2.0
97.06589	15.4
98.20480	1.1
99.92586	30.2
108.52195	0.9
109.02993	1.0
109.06619	2.3
111.00868	2.6
111.08141	1.8
115.92077	4.1
116.92844	2.2
123.08166	9.6
125.09722	100.0
126.10100	2.7
137.09718	2.3
137.13310	1.0
139.11282	18.1
153.09166	1.4
155.10823	2.5
165.09216	1.8
167.10780	34.5
181.12373	4.2
183.10284	16.0
197.15422	5.0
197.90648	6.8
199.13397	3.6
211.07997	1.0
211.09688	6.4
225.11340	4.4
229.10896	1.1
242.43788	1.1
243.12347	70.4
243.16032	19.7
243.89874	12.4
244.12756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
52.28421	0.4
57.03440	0.9
58.46667	0.4
59.01373	3.7
60.08508	0.4
61.98829	6.7
67.01901	0.7
71.05012	1.7
71.41463	1.0
75.30679	0.5
83.05028	1.5
91.50275	0.5
97.02959	3.0
97.06568	1.0
99.00883	13.1
99.92580	8.0
110.03722	1.2
111.00868	0.7
115.92070	0.8
123.08186	0.7
125.09724	4.3
136.05251	0.5
139.11267	1.8
142.02748	0.6
153.12842	0.6
155.14421	1.4
163.11282	5.1
173.92479	0.6
181.10843	1.0
181.12355	13.3
183.10219	2.6
197.11801	0.8
197.15515	1.0
197.90660	0.7
199.13393	11.1
199.15128	1.0
201.81892	0.4
207.10237	30.7
208.10626	1.7
216.19882	0.4
225.11308	55.6
226.11630	1.9
243.12354	100.0
243.15883	5.4
243.89865	1.4
244.12694	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.85310	0.6
57.03453	1.1
59.01368	2.4
61.98821	2.0
68.89055	0.6
69.22543	1.5
69.22948	5.1
71.01452	0.6
71.05011	3.3
74.10772	0.7
82.49666	0.6
83.05038	1.0
91.10693	0.6
97.02940	4.2
97.06580	1.7
99.00877	19.1
99.92594	2.1
101.27836	0.6
109.06596	2.1
110.03716	2.7
123.08156	1.0
125.09731	5.8
127.11286	0.7
135.08128	0.9
136.05302	0.9
139.11282	1.1
142.02702	1.5
145.10207	0.9
153.12849	1.2
155.14450	1.8
156.65517	0.6
163.11304	9.9
181.12340	20.4
182.12621	0.9
197.11856	2.1
199.11545	0.9
199.13387	18.6
207.10254	42.9
208.10541	1.7
225.11311	81.4
226.11662	3.5
243.12366	100.0
244.12717	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	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03436	0.8
59.01380	100.0
61.98833	7.0
67.01883	2.5
71.01362	1.3
71.52155	1.6
72.02162	0.8
73.02932	2.3
75.00953	0.7
78.95860	0.8
85.02949	1.7
94.75645	0.7
97.06567	1.6
99.92587	13.1
111.00867	2.5
112.73283	1.0
115.92090	1.3
125.09716	0.7
127.07622	2.3
131.48244	0.9
139.07635	1.7
139.11327	4.3
145.05063	1.3
154.99867	0.9
155.10704	1.2
159.13278	0.8
172.24831	0.8
181.12361	6.3
183.10219	6.0
197.15395	2.0
199.04031	1.1
199.13420	2.2
211.35602	0.8
225.11284	3.6
243.02980	1.7
243.06599	1.2
243.12367	15.5
243.15953	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	241.1446
Annotation	Annuionone F
Peak:m/z	Relative Intensity
52.36245	0.5
57.03448	5.4
58.25645	0.5
59.01374	2.4
61.98830	21.9
69.03458	1.0
69.56756	1.5
69.57181	2.2
71.05034	3.3
81.03423	0.9
83.05025	2.0
85.02970	0.6
85.06572	0.8
97.06606	1.8
109.06644	0.6
111.08142	0.8
121.02924	1.1
123.08104	0.6
125.09709	1.8
177.12743	1.0
179.10820	0.9
179.14410	29.1
180.14755	1.5
195.13857	3.7
197.11739	1.4
197.15463	12.8
223.13387	27.8
224.13705	1.4
241.14449	100.0
241.21703	2.1
241.79333	1.0
242.14833	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	6.1
66.03482	1.0
66.84340	0.8
67.01894	1.6
69.23014	4.6
69.23438	2.1
70.26957	0.8
71.01362	1.5
73.02930	1.0
83.05038	1.9
85.02925	4.4
87.00844	1.0
95.04989	1.4
96.96006	0.7
97.06593	5.7
99.92586	9.7
109.02983	1.1
110.02464	2.5
110.03178	0.7
111.00889	2.2
123.08199	1.0
127.07636	2.3
139.11256	2.5
152.17963	0.8
163.11354	1.3
171.81396	0.8
173.92566	0.8
181.12360	5.9
183.10179	5.0
183.21262	0.9
197.15436	2.0
199.13512	1.8
207.10255	2.1
225.11299	7.3
243.02953	1.4
243.06468	1.9
243.12372	16.2
243.15973	9.6
244.12677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
52.38954	0.3
54.23489	0.3
55.01866	0.6
57.03441	1.5
58.02079	0.3
59.01368	0.8
59.14970	0.3
61.65473	0.3
61.98827	5.0
67.48843	0.3
69.03455	2.8
69.67006	2.1
71.01390	0.6
71.05022	3.9
79.95707	0.5
81.03457	0.5
83.05028	1.9
84.05308	0.3
96.95985	0.4
97.06567	0.8
123.08157	1.2
125.09738	1.6
137.09708	0.7
144.03207	0.4
151.11270	1.0
153.12859	3.6
156.89558	0.4
161.09752	1.1
177.09224	2.2
179.10774	7.9
195.13904	0.6
197.06126	2.0
197.11824	100.0
198.12157	4.1
223.09824	3.0
241.05577	6.6
241.10808	88.0
242.11137	3.8
262.84949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01374	3.6
61.98831	10.0
66.86579	0.5
69.03458	2.2
69.46119	3.0
71.05019	4.1
73.02973	0.7
74.66967	0.5
83.05035	0.9
85.02963	0.7
96.95997	0.6
97.06590	0.8
123.08167	1.4
125.09714	1.7
127.04016	0.7
127.07609	0.5
135.11765	0.7
137.09732	0.7
148.05310	0.6
151.11349	1.0
153.12874	3.7
164.98938	0.5
165.09087	0.6
177.09164	0.5
178.99886	0.6
179.10811	5.7
195.13889	2.0
197.11826	100.0
198.12190	4.0
222.98743	0.9
223.09796	5.8
233.56415	0.5
241.00043	1.3
241.05266	1.9
241.10812	59.8
241.14401	9.4
241.21735	2.5
242.11131	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	241.012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	14.1
59.01376	22.3
59.84342	3.6
61.98829	49.7
67.01894	5.9
68.99813	12.4
69.03457	6.1
69.53664	12.9
69.54077	10.4
71.01384	27.5
72.99319	8.4
73.02943	10.6
78.91890	4.9
78.95911	64.2
79.95724	4.8
80.93260	6.3
80.96501	11.4
81.03470	10.5
83.01378	12.2
85.02948	18.6
87.00883	8.8
88.98837	6.6
89.02423	5.2
93.03461	15.5
94.98072	6.2
95.04988	4.3
96.00893	7.0
96.96014	25.5
96.96968	15.8
97.02950	5.5
97.93111	9.8
98.02462	5.6
98.20063	10.4
98.20641	5.1
98.71462	5.1
99.00881	36.9
99.04498	4.9
101.02416	7.3
103.92050	11.1
104.92785	5.0
107.05003	8.5
108.02158	6.9
109.02947	27.5
109.04066	6.9
109.06557	12.1
110.02500	5.6
111.00879	19.4
112.98821	91.3
115.00366	8.9
123.04529	7.0
124.98819	6.1
125.02441	7.5
125.06057	6.0
126.01965	4.8
126.05657	5.3
126.90482	11.4
127.04005	5.8
128.03546	3.8
129.01913	16.2
135.04498	9.3
136.04015	4.7
137.02425	6.0
137.09738	5.8
141.74203	4.2
142.99861	81.2
145.01421	13.0
153.01962	10.6
153.05521	6.5
165.01888	12.9
168.88866	19.5
168.91212	6.3
173.00908	100.0
178.99753	6.3
179.03468	6.5
179.10704	4.9
187.79315	4.2
195.13956	21.0
196.90965	6.3
197.00816	4.0
197.04509	9.8
197.09303	8.3
197.11781	9.8
205.03494	48.7
208.98573	19.7
222.95943	4.3
222.98817	5.5
240.88316	10.4
241.01067	18.3
241.03674	22.7
241.07999	13.7
241.10649	8.1
241.14488	70.9
241.21671	8.5
242.14845	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	241.012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	7.1
59.01374	11.1
59.91507	4.6
61.76045	3.7
61.98824	16.4
68.99796	6.5
70.45725	7.5
70.46079	8.9
71.01382	19.4
72.99306	4.5
73.02942	4.9
78.95900	85.2
79.95733	4.3
80.96513	11.1
82.03010	4.8
83.01385	12.8
85.02943	7.4
87.92531	5.6
89.02454	8.0
95.01428	4.6
96.00877	5.1
96.96011	37.7
96.96945	7.3
98.20320	7.8
99.00885	43.6
103.92014	37.0
104.92126	5.8
104.92813	7.2
105.01934	11.3
111.00877	22.6
112.98813	90.2
115.00339	9.2
117.01918	5.5
117.87187	4.4
129.01938	23.5
136.91304	11.7
142.99860	65.1
145.01414	11.5
160.84149	28.0
162.83890	27.7
168.88773	24.5
168.90150	8.5
173.00894	100.0
195.13878	7.7
205.03490	40.4
208.98572	18.1
240.88356	13.5
241.01036	14.6
241.04289	3.9
241.14468	21.9
241.75807	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	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.03432	0.6
59.01379	24.0
60.57707	0.5
61.98828	7.7
69.03008	0.4
71.01361	0.9
71.06486	0.7
71.06831	0.7
79.22482	0.5
83.01337	0.6
85.02960	1.2
87.00885	4.0
91.02246	0.6
93.03460	1.3
95.01371	0.6
99.00864	1.3
125.02448	0.7
137.02443	1.1
137.09714	5.1
141.01878	0.7
148.94162	0.6
161.04530	3.3
177.12836	1.9
179.05615	18.9
179.10793	0.8
180.05937	0.7
192.93011	0.8
192.99773	0.5
195.13898	100.0
196.14264	4.9
210.94221	1.9
217.86095	0.5
219.50992	0.5
239.09311	0.9
239.12880	11.5
245.50098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01379	24.0
60.57707	0.5
61.98828	7.7
69.03008	0.4
71.01361	0.9
71.06486	0.7
71.06831	0.7
79.22482	0.5
83.01337	0.6
85.02960	1.2
87.00885	4.0
91.02246	0.6
93.03460	1.3
95.01371	0.6
99.00864	1.3
125.02448	0.7
137.02443	1.1
137.09714	5.1
141.01878	0.7
148.94162	0.6
161.04530	3.3
177.12836	1.9
179.05615	18.9
179.10793	0.8
180.05937	0.7
192.93011	0.8
192.99773	0.5
195.13898	100.0
196.14264	4.9
210.94221	1.9
217.86095	0.5
219.50992	0.5
239.09311	0.9
239.12880	11.5
245.50098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.55914	0.5
59.01376	4.0
61.98819	0.6
67.68434	0.5
68.99811	0.5
69.78657	0.7
69.79050	1.5
74.59666	0.4
78.76073	0.5
87.00893	0.6
90.04726	0.5
93.03440	0.7
95.05020	1.0
98.20650	0.6
101.06077	8.0
105.38254	0.5
109.06598	4.5
111.08147	4.9
114.30743	0.5
122.03712	0.7
125.09702	0.9
137.09723	2.8
138.06857	0.6
139.04001	12.5
151.11305	0.7
154.06351	31.6
155.06726	0.8
167.14389	8.8
168.14696	0.5
179.05620	3.5
179.10789	3.9
180.11403	0.6
182.05865	3.1
185.15468	0.5
195.13890	100.0
196.14241	5.7
239.12885	12.4
239.16556	0.6
240.13284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.66734	1.1
58.00594	2.2
59.01379	13.4
69.22690	2.3
69.23102	8.4
72.99306	45.8
74.79380	1.0
76.92828	1.0
87.00888	3.6
91.05536	26.4
93.03470	2.3
93.61053	1.1
97.57291	1.2
99.00865	1.5
101.96797	1.1
107.05049	6.4
112.72770	1.1
115.05550	5.6
117.03479	11.9
126.41066	1.0
131.05031	9.7
133.06583	10.6
135.04535	2.3
137.09758	3.4
147.04498	2.7
149.06078	100.0
150.06435	3.6
161.04529	1.7
163.04002	23.3
165.05637	1.7
177.05551	33.3
178.05783	1.7
179.03484	14.7
179.05585	11.1
182.90184	1.3
193.05136	2.2
195.06711	2.6
239.05615	84.8
239.12933	4.5
240.05949	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	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.95010	1.5
59.01379	70.7
60.01715	1.7
61.98831	57.7
65.08729	1.7
69.03458	13.6
71.01368	4.3
73.02972	1.6
75.00875	4.0
83.05026	1.9
85.02959	3.2
94.99223	1.4
95.05018	1.9
97.06591	38.9
98.19769	2.9
101.02440	2.0
116.92844	3.4
117.78519	1.6
121.02953	2.8
121.10213	5.2
122.03757	2.0
123.00870	2.8
123.08167	44.3
125.09735	1.9
134.89478	1.9
136.89162	6.1
139.07657	5.8
139.11185	2.2
147.11792	8.7
167.07141	5.6
175.14900	8.4
179.10750	11.4
189.56622	1.5
191.84688	1.9
193.01263	2.3
193.51517	1.6
199.85110	4.4
209.94760	1.6
219.10255	2.8
219.13835	4.3
236.97073	2.7
237.00272	1.9
237.07703	2.2
237.11263	5.4
237.14941	100.0
238.15231	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	237.1132
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
57.03436	10.4
59.01381	12.7
61.98825	4.8
67.68385	1.1
69.34395	1.2
69.44937	9.1
71.01388	1.3
72.99301	2.1
73.02934	2.0
75.00883	2.1
83.05025	2.6
85.02946	3.3
87.00890	2.3
89.06061	11.5
93.03474	2.2
93.54259	1.4
96.96011	3.9
98.03703	1.8
98.19859	2.8
107.05018	9.4
108.02164	7.3
108.02832	1.4
120.04671	1.7
121.02962	23.5
121.06528	2.2
123.04508	1.7
123.08162	100.0
124.08514	2.7
129.01942	2.0
131.08618	2.0
133.06584	4.4
135.04503	1.3
137.02525	1.3
137.06007	1.3
137.09717	3.2
149.02426	3.3
149.04372	1.3
149.06126	2.1
149.09708	95.5
150.10023	4.9
151.07664	1.5
162.05574	2.5
163.11278	1.5
165.09242	3.5
167.07149	5.6
175.07700	1.9
175.11273	5.9
177.09183	9.2
178.10001	9.7
179.07193	2.0
192.07878	5.6
193.01410	2.5
193.08649	3.8
193.12317	14.9
209.11844	4.0
210.08946	2.6
219.10208	10.5
237.00276	1.5
237.07533	7.2
237.11307	67.6
237.15031	6.1
238.04990	2.0
238.11674	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	237.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.1
57.03446	10.9
58.78175	0.8
59.01369	5.9
67.01903	1.3
68.99822	1.0
69.97729	2.8
69.98092	1.5
71.01379	10.6
72.99320	5.3
73.02948	1.4
75.00876	6.7
80.96528	1.4
83.01387	23.8
84.02148	2.3
85.02950	100.0
86.03305	1.8
87.00881	1.4
98.19962	1.0
99.00873	2.8
101.02438	4.1
103.62983	0.8
105.00175	1.1
110.18634	0.9
111.00878	18.5
115.00391	6.1
115.04001	0.8
120.99638	9.2
125.02441	3.4
129.01930	6.2
143.03523	7.0
161.04585	2.1
164.89468	1.2
175.22247	0.8
205.03535	15.1
230.07004	0.8
237.00687	2.0
237.06030	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.062
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
51.18758	0.1
57.09749	0.2
59.01388	0.8
61.98851	0.6
71.01405	0.3
71.52651	0.2
73.02940	0.3
74.99072	0.2
76.96998	3.8
78.95910	0.2
85.02969	0.2
87.04517	0.2
94.98103	0.4
96.96008	0.2
108.27164	0.1
111.04646	0.2
116.50089	0.2
118.96268	1.0
120.93420	0.1
120.94239	0.6
121.02996	0.5
136.97327	5.0
138.95251	1.0
152.96809	7.3
153.96724	0.4
156.13913	0.1
161.06387	0.2
170.97868	0.4
193.12314	0.3
201.04071	1.5
203.02058	0.3
217.03549	0.6
219.05121	100.0
220.05232	5.5
221.03036	4.1
237.06168	35.3
237.10127	0.4
237.11266	0.7
237.14830	0.2
238.06326	1.8
239.04076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35231	0.1
61.98831	0.4
62.21130	0.1
68.27951	0.2
69.54948	1.0
72.97631	0.1
95.81039	0.2
127.93245	0.2
134.03760	0.4
134.89485	0.3
135.04546	0.3
135.89519	0.3
136.05339	0.4
136.89233	0.5
148.05309	6.6
149.05946	0.2
149.09731	1.0
162.06850	0.3
175.07648	0.3
176.08443	0.6
177.09206	37.5
178.09514	1.4
190.09975	1.8
191.10776	0.6
192.11554	28.2
193.11905	1.5
199.85133	0.5
200.85184	0.3
201.09204	0.5
203.07123	0.7
217.08733	2.5
218.09459	7.7
219.09924	0.3
224.10609	0.3
236.10532	100.0
236.81615	0.2
237.10909	4.7
237.14912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98820	1.5
69.84975	2.1
79.95736	100.0
85.10242	0.5
98.20263	1.2
100.07686	1.5
102.64716	0.4
107.47704	0.5
126.12891	8.5
128.87978	0.4
149.80751	0.4
170.11884	1.2
172.13419	12.8
172.34805	0.5
185.30458	0.4
195.10179	0.4
206.19884	0.4
216.01526	0.4
236.09607	85.5
237.09888	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	236.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10714	0.7
61.98821	3.7
63.55402	0.7
69.51772	4.6
71.01382	17.5
85.02931	1.1
87.53313	0.9
94.02981	2.5
96.96012	3.4
107.05138	0.7
112.00388	0.7
115.00378	31.7
116.00690	0.9
119.05022	1.6
120.04554	100.0
121.02955	27.7
121.04878	2.5
130.06628	1.1
134.40627	0.7
146.06082	1.4
148.07677	11.3
165.01892	0.7
174.05582	16.5
192.06660	38.8
193.06897	1.5
218.04608	4.5
236.05623	63.2
236.96097	0.8
237.03870	0.9
237.05937	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	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26223	0.2
57.03451	0.2
58.02951	0.2
59.01377	0.2
61.98836	0.9
71.50689	0.1
71.51077	0.2
72.00910	13.6
91.05536	1.7
103.05528	1.4
106.83119	0.2
111.21449	0.2
118.06648	0.3
119.05000	0.9
135.04547	0.3
137.02452	0.2
146.06088	0.3
147.04517	42.5
148.04854	1.4
148.07657	0.2
149.02444	0.2
149.05991	0.2
164.07161	100.0
165.07524	3.6
192.06677	2.0
201.36337	0.2
228.25638	0.2
236.05644	0.9
236.09241	0.2
237.00398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.0
57.03455	6.9
58.00589	3.7
59.01380	72.3
60.01707	0.8
61.98821	2.3
63.06931	0.6
67.18033	0.6
69.03451	0.8
71.01382	85.6
71.05016	3.8
72.01698	0.8
72.19072	0.6
72.99318	6.0
73.02946	36.2
73.06589	2.1
75.00878	1.8
79.95692	0.8
83.01382	23.8
84.01712	1.1
84.02159	0.7
85.02951	53.1
86.00098	2.5
86.03297	0.9
86.51134	0.6
87.00891	4.2
89.02446	5.4
95.01378	6.9
96.96021	10.3
97.02950	1.3
97.32688	0.6
98.20695	1.2
99.00883	16.3
101.02444	100.0
102.02771	2.0
106.06641	0.7
107.30385	0.7
111.00884	3.6
111.86341	0.7
113.02451	36.1
114.02778	0.7
119.03488	1.0
119.05000	1.1
124.74891	0.6
125.02425	1.3
129.01929	3.5
131.03539	0.7
139.04086	0.8
143.03500	2.5
143.07144	1.5
159.03018	6.3
161.04561	18.6
162.89308	0.9
176.01135	0.9
191.07141	1.0
192.01131	1.2
199.13400	0.8
205.03354	1.0
224.60249	0.7
229.01065	0.8
235.06165	0.7
235.09889	1.2
235.11823	28.1
236.12190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0724
Annotation	N,N-Dihydroxy-L-tryptophan
Peak:m/z	Relative Intensity
57.00351	0.6
59.01387	4.0
61.98817	1.6
70.64462	1.7
83.01377	0.8
85.02940	4.2
87.01997	100.0
88.02334	0.8
91.05526	0.7
96.96019	7.7
97.02354	0.6
99.20288	0.6
119.05013	1.8
130.06660	0.6
135.04532	1.0
136.05251	0.6
136.77318	0.5
147.04550	1.9
163.04137	0.9
164.07228	0.9
172.67793	0.6
176.01202	0.6
189.06764	1.6
190.43785	0.6
191.03542	1.4
191.08339	6.4
191.10870	0.8
192.06691	0.8
235.02577	1.0
235.07312	18.4
235.09723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73249	1.3
57.03436	7.9
59.01385	17.8
61.98828	7.5
69.03454	18.1
71.01376	9.6
71.04996	2.0
71.50230	2.0
72.00948	1.8
72.99306	39.0
73.02964	5.0
74.99100	10.4
75.00817	1.8
78.95905	2.9
79.01888	1.5
79.95749	2.0
80.96521	4.2
83.01382	7.1
85.02940	17.9
87.00872	39.2
87.92495	1.5
88.92600	1.6
92.05063	4.7
94.02976	2.2
95.01392	5.4
96.96001	10.9
96.96968	1.8
97.02949	55.6
98.00089	6.2
98.95592	4.2
99.00903	7.3
101.02450	4.8
103.04006	1.8
103.92044	3.4
111.00883	10.7
111.04518	2.9
113.02452	29.7
113.75297	1.5
115.00423	1.8
115.04002	17.5
119.01389	2.0
120.04546	2.3
120.99652	2.6
121.02959	1.9
121.22658	1.7
123.00909	1.9
127.00401	2.6
129.01945	4.9
131.02661	1.7
131.03502	8.4
134.06088	1.9
135.98380	3.1
136.99123	5.9
141.01930	100.0
142.02274	2.5
142.99854	2.8
143.03464	1.8
144.04538	4.6
146.02429	1.8
146.06111	4.9
147.01068	2.6
147.04654	3.6
148.04066	13.6
149.02423	2.3
155.03474	4.6
159.02963	19.4
162.89343	98.0
173.04654	2.1
173.07179	3.5
175.02435	3.6
185.00854	6.8
190.05121	2.2
190.99857	3.4
191.03421	2.2
203.01959	62.8
217.03525	6.6
217.05969	1.7
234.87817	3.7
235.02579	3.7
235.04549	7.1
235.07056	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	234.1499
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01385	2.4
71.13838	0.3
71.29667	0.2
127.46733	0.2
134.89433	0.5
163.00421	0.3
177.63853	0.2
179.07068	0.5
190.01440	0.2
190.99835	0.4
199.85219	0.3
206.99500	0.2
207.13860	0.3
218.11891	1.5
219.12575	0.5
234.14977	100.0
234.82040	0.4
235.15326	5.6
251.11620	3.0
253.12651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.8949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97253	0.2
55.71473	0.2
59.01107	0.3
59.01380	3.7
65.97340	0.2
71.50130	0.3
72.91367	0.2
78.95905	0.9
87.92532	100.0
88.92564	0.5
89.92928	0.4
96.96013	19.8
96.96986	0.9
103.92030	21.7
104.92812	0.9
105.93596	11.2
106.78895	0.3
119.91514	1.8
123.94650	7.8
136.93983	0.3
137.94049	2.2
138.93706	0.9
143.91550	0.2
149.92567	0.3
159.89490	1.2
160.89307	0.6
160.91809	0.3
177.92068	1.4
177.93381	0.6
178.93039	0.3
187.90483	5.1
187.92052	0.4
231.91106	0.5
232.90604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26664	0.3
59.01379	8.4
63.66726	0.4
67.01862	0.5
68.99813	1.4
69.29556	1.7
69.29977	1.3
71.01375	1.5
71.05019	23.6
72.00888	1.1
73.02949	2.0
87.92535	6.5
93.03446	1.3
96.96014	0.4
97.02942	0.4
98.02499	0.5
98.06130	0.4
98.20712	0.8
99.04522	7.1
101.33744	0.4
103.92017	1.3
105.93602	1.1
115.92020	0.3
116.07164	3.5
117.03479	1.4
117.07125	0.9
123.94680	0.9
127.88135	0.4
128.07994	0.8
129.01910	0.6
129.05563	1.2
133.06599	1.8
135.04503	1.2
144.59550	0.3
146.08228	100.0
147.08597	1.8
158.89474	0.4
159.85101	0.4
161.06091	2.6
169.93513	0.3
173.04550	2.0
177.05534	1.3
189.01929	0.5
205.05051	4.0
232.06396	0.4
232.09830	0.5
232.11844	1.9
233.00879	0.5
233.04572	1.4
233.15466	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	232.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94560	0.3
59.01378	14.0
62.91373	0.3
67.01882	0.5
68.50371	0.3
71.01380	6.8
72.00910	0.4
72.22143	0.3
73.02939	0.5
79.95721	0.4
83.01392	0.4
85.02963	0.6
85.06588	20.7
86.06944	0.7
87.92532	12.4
87.93082	0.6
88.04038	100.0
89.04380	1.3
92.26134	0.4
93.03445	2.0
96.16530	0.3
96.96055	0.5
98.19878	0.8
103.92036	3.3
105.93583	2.0
111.00909	0.6
113.06081	4.2
116.03535	0.7
119.91476	0.7
123.94646	4.0
125.09708	0.4
129.01953	0.6
130.08746	1.7
144.04613	0.6
157.07762	0.4
159.89388	0.5
160.09785	20.9
160.89249	0.5
161.02438	0.7
171.10291	1.0
173.04549	2.0
173.08157	1.9
187.90402	0.8
188.03551	0.4
215.09274	0.5
221.63588	0.3
232.06271	0.6
232.11879	20.0
233.10265	2.3
233.12222	0.4
233.12965	0.5
233.15443	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26250	1.3
57.03455	4.1
59.01380	33.1
60.94255	1.0
63.21104	1.0
67.01891	1.3
69.77402	6.5
71.01381	21.6
73.02960	2.3
83.01391	5.8
85.02953	4.2
87.92530	100.0
88.92578	39.3
89.92371	2.7
96.96011	67.8
98.19872	1.3
99.00873	13.4
99.95836	1.2
101.02476	2.2
102.59704	1.3
103.92032	49.2
104.92073	8.8
104.92812	10.7
105.93592	14.4
106.93639	5.4
106.94289	1.6
111.00870	10.1
115.92072	1.5
118.94225	4.6
119.91492	2.9
123.94645	7.9
124.94698	3.2
126.65890	1.2
127.04010	2.5
129.01938	12.3
137.36061	1.2
145.01442	2.3
159.89323	2.2
160.89267	60.9
160.91759	25.1
161.89400	22.0
173.00923	1.8
188.90736	4.3
232.87856	1.3
233.15520	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	231.1238
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
51.05044	0.6
52.80912	0.6
56.96122	0.6
57.03450	0.9
59.01381	31.1
64.47357	0.6
66.94025	0.6
69.48574	2.9
69.49009	1.8
71.01382	0.7
72.99307	8.2
75.00870	23.7
79.55576	0.6
87.00858	0.7
87.92536	5.3
96.96007	1.5
97.06584	0.8
103.92036	1.2
104.78031	0.6
111.08202	0.9
113.02441	1.5
117.03457	0.9
123.00874	0.6
123.94656	1.8
125.02404	1.3
125.09766	1.5
125.85561	0.5
126.67648	0.6
127.11328	1.8
134.03757	1.7
145.02966	2.6
151.11279	3.1
152.03545	1.9
155.10791	1.6
159.04564	1.1
167.10800	1.7
169.12338	26.9
170.12750	1.4
171.10266	88.3
172.10625	2.6
185.11801	5.5
187.03993	0.8
187.07733	0.8
195.10207	1.1
213.11317	13.3
214.11804	0.9
231.12361	100.0
231.16061	3.3
232.12732	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	231.1601
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03451	1.3
59.01378	2.3
69.42710	1.0
69.43143	0.6
78.78732	0.2
83.05022	0.4
85.56669	0.2
87.04520	0.4
87.92527	2.9
99.92619	0.2
100.92588	0.3
103.92040	0.6
105.93602	0.5
109.06584	0.9
121.06584	0.3
123.94644	0.9
127.11275	2.3
145.02936	0.5
152.03542	3.8
155.14406	0.7
157.04231	0.2
158.89207	0.3
167.10713	0.3
169.01401	0.2
171.10262	4.4
183.13908	0.5
185.11801	1.0
185.15434	0.5
189.12784	0.4
195.13957	0.5
213.11298	0.7
213.14952	4.3
216.44359	0.2
229.12265	0.8
229.14435	3.7
231.16002	100.0
231.99208	0.3
232.14204	0.5
232.16350	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	231.8947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
71.07320	0.5
75.60585	0.3
87.92529	100.0
88.92586	0.4
96.96014	2.4
103.92026	22.0
104.29005	0.3
104.92834	1.6
105.93582	9.6
115.07824	0.3
119.91528	2.4
123.94646	6.5
143.91513	0.4
159.89372	1.3
160.89368	0.3
160.91789	0.4
177.92067	1.4
187.90482	4.4
231.89461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0128
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
50.65858	0.9
54.52161	0.8
66.03484	1.6
69.41004	1.2
71.27414	1.2
71.50117	0.9
73.01177	7.3
80.05073	2.0
81.03333	1.0
82.02974	6.0
83.36587	0.9
85.92995	7.8
88.81017	0.9
96.04552	26.8
98.99108	4.2
101.92471	2.2
103.94025	1.5
108.04559	25.8
114.00194	76.4
142.03322	100.0
186.02299	40.6
230.01271	89.0
231.01584	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	231.0662
Annotation	Wettstein A
Peak:m/z	Relative Intensity
55.01889	0.8
57.03449	1.1
59.01379	0.4
67.01884	0.2
68.99824	1.2
69.03462	1.4
69.87630	0.7
71.01380	0.5
72.89092	0.2
81.03452	1.2
83.01382	2.9
84.02168	1.4
85.02949	3.5
85.14753	0.2
87.92532	0.7
93.03458	4.7
95.01411	0.2
97.02943	3.1
99.00860	0.2
106.04236	0.2
107.26898	0.1
109.02959	1.0
111.00878	6.9
117.03465	24.4
118.03800	0.4
119.05025	45.6
120.05341	1.2
121.02941	1.2
123.04530	0.4
123.94630	0.2
124.01659	0.5
125.02448	6.1
130.04207	0.4
131.05017	0.7
132.05817	0.8
133.02963	0.5
133.06602	0.9
135.04486	0.2
137.02449	1.5
143.05025	0.5
144.04543	0.2
145.02953	100.0
146.03282	3.1
147.04515	2.8
156.05792	0.6
157.06618	1.0
158.03709	0.3
159.04520	1.4
159.08124	0.5
160.05283	2.8
161.06085	2.6
162.03316	0.2
163.03958	0.2
169.06554	0.6
171.04471	0.2
171.10222	0.6
173.06033	0.9
174.06807	0.7
175.03966	0.5
175.07652	1.9
185.06084	2.2
187.04018	1.5
187.07619	1.5
188.04749	0.4
189.05537	0.6
201.05542	0.4
202.06458	0.4
203.07132	11.4
204.07408	0.5
213.05612	1.0
229.04854	0.2
231.06602	20.0
232.06989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03458	1.3
59.01385	2.1
71.01373	0.4
71.05009	0.9
71.51958	0.4
75.00855	0.4
78.95866	0.3
79.19562	0.3
83.05028	0.8
84.02164	0.6
85.02952	1.2
94.19993	0.3
96.96985	0.5
97.06586	1.1
99.92598	2.1
100.92584	0.5
112.98781	0.5
115.92068	0.3
116.92888	0.4
119.04969	0.4
123.08231	0.4
125.09727	4.2
127.11275	4.3
153.09222	0.6
155.14397	2.6
156.89409	0.4
165.12900	0.5
167.10747	0.4
167.14455	1.6
171.10222	0.8
173.00955	0.3
183.13863	0.7
185.06010	0.6
185.11865	1.4
185.15385	0.5
187.30942	0.3
209.10013	0.3
209.11806	2.1
211.13338	3.1
229.10741	3.3
229.14436	100.0
230.14754	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	229.1081
Annotation	Piscrocin E
Peak:m/z	Relative Intensity
57.03447	14.7
59.01377	1.2
60.70599	0.4
62.04195	0.4
69.03468	1.2
70.70072	1.0
71.01365	0.7
71.05021	4.0
72.99300	0.9
75.00851	0.9
78.95898	0.8
81.03459	15.3
81.03940	0.8
83.05030	2.8
85.02925	0.8
85.92995	1.4
92.84564	0.5
95.05045	4.4
96.96986	1.1
97.02952	2.4
97.06568	0.9
97.09515	0.5
98.00081	0.8
99.04543	2.2
99.92574	1.6
100.92611	0.5
109.02953	18.9
109.06603	7.6
110.03268	0.6
111.00907	0.7
111.08176	2.9
112.98803	0.5
115.00404	0.5
115.92084	1.0
116.92856	1.1
119.08662	1.8
121.06596	2.3
123.08202	0.8
125.02435	2.5
127.07653	7.0
130.08713	1.2
135.08128	0.7
137.08759	0.8
137.09732	8.8
138.10056	0.5
139.07620	1.0
141.05582	3.8
141.09250	0.7
149.09734	1.6
153.01912	0.8
153.09203	5.6
155.10786	13.8
156.05753	0.5
156.89484	1.3
166.76765	0.5
167.10777	1.3
183.10338	0.5
185.04527	1.4
185.08165	0.6
185.11816	5.0
185.16589	1.6
201.05608	0.9
229.07115	2.4
229.10800	100.0
229.15669	4.8
230.11154	3.8
241.77769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1081
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
50.40248	0.5
57.03437	2.6
65.32424	0.5
69.03454	1.6
69.28835	5.1
69.60179	0.5
71.01411	0.8
73.02950	0.6
75.00906	0.7
82.56988	0.6
83.33193	0.6
99.92594	1.3
109.02892	0.7
125.09728	3.6
127.11270	1.8
129.60068	0.6
139.11285	0.9
141.12886	4.4
155.10799	1.7
167.10767	4.1
171.10124	0.7
185.11829	100.0
186.12219	4.6
201.11375	2.1
229.05019	1.0
229.10786	18.2
229.14229	4.3
230.11235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
58.00598	1.0
59.01382	2.9
61.98836	0.9
65.00318	4.3
69.62504	3.1
71.05020	2.0
73.02981	1.3
83.01395	3.1
83.05020	5.0
85.02952	5.8
86.91538	0.8
93.03467	2.3
95.01403	1.3
96.95998	0.7
97.03015	0.8
99.04484	1.6
99.50991	0.8
101.06094	1.1
109.06579	1.3
111.04519	9.3
111.08147	8.4
119.05016	8.1
123.08167	9.8
125.09737	3.1
127.11264	3.6
132.04546	2.5
133.06578	1.3
137.09718	25.4
139.07652	4.5
139.11290	21.9
141.09212	4.1
143.03185	0.8
143.05031	3.0
144.04514	0.7
149.09717	23.3
150.10069	0.9
151.07629	1.7
152.08435	5.3
153.09201	1.7
155.10794	1.3
157.02913	0.9
163.07613	0.9
165.09195	2.2
167.10773	100.0
168.11102	3.1
185.06018	1.6
185.11836	3.0
201.01959	2.2
211.09714	1.2
228.87135	1.1
229.01408	3.8
229.10793	91.2
229.14125	8.9
230.11171	2.9
230.14676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06508	0.8
53.03936	2.9
57.03431	1.0
59.01379	2.6
65.03950	2.0
69.03462	1.4
71.50948	1.5
72.99310	1.4
73.02957	1.4
76.92773	0.8
78.95900	1.0
81.03458	67.4
82.03793	1.5
83.01408	1.1
85.16367	0.8
85.23235	0.9
85.93007	1.3
96.96035	1.0
96.96955	1.6
97.02954	2.4
98.00075	1.7
99.00884	1.9
100.10271	0.9
100.92586	1.4
109.02956	100.0
110.03280	2.4
111.00871	1.8
113.06056	1.0
115.87521	0.8
115.92074	1.0
125.02447	11.3
125.06178	1.0
126.03217	1.3
131.05029	1.1
134.95424	0.8
141.05583	19.3
153.01907	4.6
156.05861	1.3
157.04979	2.3
157.06599	1.2
157.97366	0.9
183.10289	1.1
185.04527	7.9
185.05994	1.3
185.08153	1.7
201.05550	3.1
229.05185	2.1
229.07117	2.1
229.10759	5.0
229.14456	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	229.1079
Annotation	Piscrocin E
Peak:m/z	Relative Intensity
53.72407	0.6
55.06388	0.6
57.03448	17.3
62.84945	0.6
68.30134	0.6
69.03423	0.6
70.87943	1.6
71.05022	1.7
79.05531	1.9
81.03480	1.0
82.11767	0.5
82.69237	0.5
83.05027	3.4
85.02934	1.1
85.93001	0.6
87.04510	0.7
95.01382	0.6
95.05024	2.1
97.02957	0.9
97.06576	2.4
99.04530	1.4
109.06595	9.3
111.08138	1.4
118.99696	0.6
119.08669	34.9
120.09056	1.1
121.06595	4.9
123.08149	0.7
127.07653	6.4
131.08669	4.6
135.95865	0.6
137.09741	8.4
139.07645	5.6
149.09741	4.9
151.07579	0.7
153.09183	1.3
155.10767	1.8
156.89565	0.6
159.75168	0.6
167.10779	2.5
209.82397	0.7
229.10796	100.0
230.11176	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	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01343	0.5
60.42973	0.3
62.46423	0.3
69.03453	0.4
70.20930	0.3
71.05050	0.5
71.29016	0.6
77.40968	0.3
80.02689	0.3
83.05025	1.0
95.05031	0.4
97.06580	1.5
99.92590	0.6
111.08154	3.3
124.31188	0.3
163.11292	1.1
165.12839	25.0
166.13127	0.7
167.10667	0.4
181.12320	0.5
183.13896	24.2
184.14267	1.1
185.13281	0.5
209.11819	22.3
210.12152	1.0
226.82942	0.6
227.12874	100.0
228.13219	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	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03454	1.1
57.87137	0.4
59.01379	0.7
61.98806	0.4
66.41666	0.4
67.01892	0.6
69.03471	0.5
71.01382	0.5
95.01396	0.5
97.02890	0.5
98.19910	0.7
98.20589	1.6
99.92590	6.4
111.00902	0.6
111.08177	1.2
112.98673	0.8
115.92070	1.2
120.34917	0.4
139.11259	1.2
143.67049	0.4
165.12839	19.7
166.13101	0.8
179.86632	0.4
180.83153	0.5
183.13895	100.0
184.14217	4.1
199.13370	0.8
208.93326	0.5
209.11836	4.8
221.38203	0.4
226.82986	3.4
227.03493	0.8
227.12866	29.6
227.16479	1.1
227.20132	3.6
228.13194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1652
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
61.98824	0.4
69.86919	0.6
69.87315	0.7
81.07086	0.7
88.88470	0.3
97.06625	0.4
99.92596	2.1
123.04495	0.3
127.13288	0.3
143.86507	0.9
153.05603	0.4
161.87628	0.3
165.12871	0.6
180.83112	2.7
181.15962	0.3
183.13881	2.1
197.13911	0.3
197.15453	2.1
199.13359	0.6
209.11867	2.3
209.15480	2.6
225.15054	0.8
226.80215	0.4
226.82967	0.9
227.12849	2.8
227.16521	100.0
228.16887	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	227.0926
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
57.03474	0.3
60.91830	0.3
61.33112	0.3
71.01379	0.5
71.51260	0.6
72.99309	100.0
73.99657	0.5
75.00875	2.3
76.41887	0.3
78.95975	0.4
97.02940	0.7
99.04573	0.3
99.92603	1.5
107.05019	0.4
108.05850	0.3
111.00851	0.9
112.98811	1.0
113.06071	0.7
122.03730	0.5
125.06095	0.8
137.06104	0.6
138.06863	1.7
139.00299	0.3
139.07675	3.0
150.06889	0.4
151.07654	3.2
152.04866	0.4
152.08450	3.5
153.09192	1.5
165.09201	4.3
167.07167	0.4
183.10214	0.4
183.13904	1.7
209.08170	2.4
209.11760	0.7
226.82950	0.8
227.09244	46.8
227.20160	1.6
228.09511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11254	0.3
53.05676	0.3
55.78897	0.3
59.01393	0.3
65.22338	0.3
68.99800	0.3
70.03763	1.4
71.05003	0.5
73.31252	0.3
80.02677	2.0
81.03450	1.2
83.05023	6.2
84.02170	2.9
89.85440	0.3
95.05039	0.7
98.02470	0.9
99.92571	0.6
109.06589	0.5
124.01317	0.4
125.06089	0.4
125.09727	0.4
135.08138	0.9
139.11298	0.4
147.11810	0.4
153.12791	0.4
163.11275	5.3
164.11586	0.3
165.12839	4.0
181.12323	1.0
183.13905	0.4
191.10794	1.9
209.11813	100.0
210.12152	4.5
217.76361	0.3
225.77592	0.3
226.83041	0.4
227.08070	0.8
227.12863	4.0
227.20193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.7
59.01383	3.6
61.57224	2.3
67.01898	3.0
68.99550	27.7
69.55269	9.7
69.55677	4.5
71.01386	27.9
72.99301	4.6
73.02957	6.2
73.29778	2.0
78.95902	65.6
79.95736	9.7
80.96500	2.5
81.03463	2.5
83.01373	12.4
83.04984	3.1
85.02932	11.8
85.57043	2.1
87.00883	6.5
87.70004	2.4
88.98801	4.0
95.05002	3.6
96.96017	6.8
96.96983	5.7
99.00891	45.8
101.02478	3.4
103.92005	3.3
111.00872	37.4
112.98787	100.0
115.00331	3.0
127.82825	2.3
129.01923	23.7
139.04012	17.6
142.99854	10.1
173.00891	34.5
183.03055	13.6
183.13914	4.1
190.94479	2.3
191.01994	8.6
226.99776	16.7
227.03415	12.4
227.12897	3.4
227.20160	2.9
229.41107	2.8
248.69144	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	226.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47349	0.3
55.01872	1.2
56.99823	0.4
57.03448	8.5
59.01378	5.1
60.99301	1.8
67.01889	1.1
68.99824	3.9
69.70254	1.4
71.01379	29.6
72.99306	1.6
73.02950	4.5
78.95911	2.1
82.33426	0.3
83.01387	11.4
84.99318	1.2
85.02949	11.5
86.00082	0.3
87.00869	4.0
87.92542	1.1
88.98797	3.8
92.92809	1.8
94.92509	1.0
96.96014	3.5
96.96934	2.2
96.99309	0.7
98.95580	2.0
99.00880	48.5
100.01244	0.6
101.02447	2.5
103.00349	0.4
103.92046	1.0
104.92839	0.4
111.00881	37.1
112.01180	0.6
112.98811	100.0
113.99155	1.9
115.00365	3.5
124.98833	0.4
126.90488	0.6
129.01941	21.7
130.02295	0.3
132.09615	0.3
136.91283	4.1
136.92253	0.4
140.98354	0.3
142.99867	9.5
145.01422	1.4
160.91745	1.6
173.00905	37.4
174.01250	0.9
191.01973	7.8
208.98615	1.6
220.97937	0.3
226.80113	1.5
226.99646	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	225.1132
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.81436	1.0
55.84942	0.7
57.03447	10.8
59.01379	100.0
60.01706	1.0
61.98856	0.9
66.85759	0.9
69.03458	1.6
71.51475	1.4
73.02969	0.8
75.02369	1.2
78.04446	0.9
79.95725	3.4
79.96376	0.9
80.21388	0.8
80.96473	0.9
81.03460	1.3
83.05016	4.4
85.02950	2.8
93.03462	16.4
95.05031	1.2
96.96015	3.0
97.06579	6.3
98.20231	0.9
101.02407	1.4
119.01463	1.0
119.05013	0.9
121.02985	1.3
121.06593	0.8
123.08139	3.5
125.50952	0.8
126.90513	1.9
131.65750	1.0
134.03725	3.0
135.08159	1.8
137.02444	4.7
137.06111	1.0
137.09683	2.3
138.01924	0.9
147.08127	3.3
149.02417	1.3
149.06084	2.4
153.12851	1.0
163.00365	1.9
163.05597	0.8
163.11205	2.6
165.01961	0.9
165.09195	4.0
181.01425	2.3
181.05072	1.1
181.08649	1.4
181.12379	3.5
195.02953	1.2
206.99356	1.7
207.10332	2.1
210.05290	1.4
224.87637	1.7
224.90248	1.5
224.92117	1.6
225.00420	7.7
225.04059	1.4
225.08083	5.9
225.11316	55.8
226.11603	2.4
236.10196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Annuionone E
Peak:m/z	Relative Intensity
56.18043	0.7
57.03463	1.0
59.01378	4.1
60.27639	0.6
61.98831	7.5
65.00311	0.9
71.01376	0.8
71.52037	0.7
80.02612	0.6
80.96548	0.6
83.05024	1.2
88.84652	0.6
93.03461	7.9
97.93119	0.9
109.02950	0.9
123.77168	0.7
126.86884	0.6
126.90527	2.9
136.98796	0.7
137.02429	2.2
138.01927	1.1
141.19699	0.7
149.09679	1.2
152.98338	0.7
153.01927	0.6
153.12828	0.9
163.00337	0.7
163.14806	0.8
169.12329	0.7
178.83435	2.0
181.12352	3.1
181.15971	0.9
195.03059	0.7
195.13914	7.5
197.15468	4.2
206.99408	1.1
207.10205	1.7
207.13893	23.3
208.14264	1.4
224.90625	3.0
225.00394	5.0
225.11320	6.4
225.14949	100.0
225.92639	2.8
226.15341	4.6
237.69228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89874	0.6
57.03449	1.1
59.01379	9.8
60.57709	0.6
61.98829	6.2
65.00320	0.7
65.03985	0.5
67.01912	0.6
68.50874	0.6
69.03465	1.7
69.41937	4.7
71.05015	0.7
80.02682	1.9
80.80241	0.6
81.03462	4.9
83.05011	3.7
84.02185	2.7
85.02927	0.9
93.03458	7.6
95.05057	1.3
97.02948	10.5
98.20726	1.0
99.00887	1.8
99.04569	0.6
106.04200	0.7
107.05042	0.9
109.02907	0.8
109.06592	40.6
110.03724	4.4
110.06928	0.9
114.59185	0.6
117.69677	0.6
121.06578	3.0
123.04519	1.6
123.08109	0.8
125.06099	0.6
125.09711	1.6
126.76823	0.7
126.90503	1.8
131.05228	0.6
133.06703	0.6
135.08148	5.9
136.05322	2.3
137.02463	2.1
137.09735	0.8
138.01952	1.0
142.02727	4.9
145.10251	1.0
151.07649	0.6
153.12865	0.7
157.08687	0.7
161.09666	3.5
163.00342	0.6
163.09892	1.2
163.11287	25.7
164.11592	0.9
178.83438	1.9
179.10832	1.2
181.01297	0.7
181.12344	20.2
189.09196	1.1
195.02663	0.6
197.11832	1.8
201.37582	0.8
207.10255	93.0
208.10573	3.7
224.90565	1.9
225.00438	2.7
225.11317	100.0
225.14977	2.5
225.92708	1.3
226.11656	5.9
234.01468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
59.66159	0.6
61.98837	4.3
65.00308	1.3
70.37485	2.2
71.01388	0.8
71.05021	0.7
76.66404	0.6
80.38397	0.6
81.03455	1.0
81.54888	0.7
83.05025	1.1
85.16080	0.6
92.30967	0.6
93.03450	6.0
95.05006	0.8
96.96028	0.9
97.02963	9.2
98.20240	1.3
99.00877	3.0
108.36373	0.6
109.02895	0.8
109.06589	5.5
110.03747	2.1
111.04546	0.7
117.14269	0.7
121.06647	0.7
123.04522	0.8
125.09686	1.4
126.90497	2.4
135.08163	1.4
136.05350	1.5
137.02440	1.5
138.01952	1.4
141.86824	0.7
142.02692	4.5
143.86530	0.8
145.10258	0.8
153.12762	0.9
161.09727	1.1
163.11298	11.7
165.01883	2.3
178.83360	2.9
179.10780	1.0
180.04305	0.7
181.05049	0.7
181.12343	27.0
182.12666	1.5
183.10213	1.5
185.11679	0.6
197.11858	3.2
206.99243	0.7
207.10252	62.6
208.10620	3.5
224.90536	2.1
225.00395	3.2
225.11314	100.0
225.92453	0.8
226.11627	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	223.134
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
57.03435	1.7
57.61419	0.5
59.01376	5.1
69.03457	5.6
69.15839	2.4
69.16264	2.2
71.05013	1.8
74.64507	0.5
83.05014	1.1
85.06581	1.1
93.03436	0.6
95.05032	1.5
97.06611	0.8
108.05813	0.9
109.06624	1.1
110.33537	0.8
120.79084	0.4
125.09678	1.0
135.11816	0.7
141.09117	0.5
149.09671	1.2
161.13303	2.0
166.06319	0.5
167.10776	7.7
177.12807	1.4
179.10831	3.2
179.14409	9.0
188.43449	0.5
195.13904	23.4
196.14256	1.0
205.12338	20.0
206.12637	1.5
223.13383	100.0
224.13693	4.9
243.12885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0929
Annotation	3-hydroxy-O,5-dimethyl-L-tyrosine
Peak:m/z	Relative Intensity
59.01363	2.1
68.01387	0.9
68.99856	0.7
80.05042	1.5
82.02979	2.1
87.75536	0.7
93.03441	1.3
94.02985	1.2
96.04591	1.2
108.04551	3.1
110.02467	2.8
120.04552	12.6
121.05283	1.0
121.37078	0.7
122.02476	2.7
124.04040	3.0
126.20061	0.7
126.90544	1.3
134.02419	1.8
135.03224	0.9
136.04036	8.1
136.07674	3.9
137.04803	3.0
148.04016	1.0
149.04808	5.9
150.01955	3.0
150.05632	1.1
153.91568	0.7
162.02013	1.5
163.02802	1.4
164.03522	19.8
164.07164	17.8
165.04323	6.1
177.04303	18.3
178.05092	3.7
178.83414	1.2
180.02934	1.0
182.04572	9.0
192.03036	4.3
192.06630	1.5
199.75238	0.9
209.03293	57.2
210.03667	2.1
224.09273	100.0
225.09535	3.3
225.11407	1.9
225.14987	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	223.0611
Annotation	Sparanone B
Peak:m/z	Relative Intensity
55.00964	0.9
57.03447	4.9
57.85276	0.9
59.01385	7.4
61.98831	1.7
65.13249	0.9
65.64079	0.9
69.74273	4.5
71.01381	2.0
71.35389	0.9
72.99322	1.7
73.02928	1.8
75.00903	1.0
82.32061	1.0
85.02969	4.9
85.43876	1.2
91.05532	8.2
98.19899	1.8
101.03963	13.0
107.05012	2.7
111.00838	1.3
117.03445	7.6
119.05024	88.7
120.05354	3.0
121.02963	1.8
121.06609	1.7
129.01949	1.6
129.03471	1.9
133.06602	1.1
135.04524	100.0
136.04886	2.7
137.09734	2.7
147.04515	32.5
148.04939	1.2
149.06073	2.2
151.11258	2.0
153.09248	1.9
160.03961	1.4
163.04005	66.3
164.04373	3.0
165.09146	2.6
173.02405	2.0
176.98286	1.2
179.10802	5.7
187.11224	1.2
191.03506	34.5
192.03839	1.7
193.01422	2.0
205.05135	1.2
205.12303	2.6
208.03789	2.4
223.02602	2.1
223.06122	44.4
223.09607	2.1
223.13376	4.9
233.26268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25610	0.3
55.01880	3.5
57.03450	11.5
58.00589	0.5
59.01380	9.7
68.99809	1.9
69.19845	2.3
70.03843	0.2
71.01384	15.4
72.99309	6.5
73.02947	1.1
75.00880	6.2
83.01389	8.9
84.02165	2.9
85.02952	100.0
86.03281	1.6
87.00869	1.5
89.02444	3.3
98.20292	1.2
99.00857	1.8
101.02448	1.5
103.00343	1.7
111.00890	2.7
115.00365	1.1
125.02380	0.5
129.01952	3.8
132.44359	0.3
133.01433	2.6
143.03482	2.0
147.03001	6.9
173.00932	1.2
191.01973	23.3
192.02426	0.4
205.03539	1.4
223.04578	5.4
231.72040	0.3
232.99142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97810	0.3
53.00315	0.3
55.01876	4.7
57.03450	18.4
58.00581	0.6
59.01381	10.0
59.13196	0.3
67.01891	1.0
68.99840	1.9
71.01383	14.0
71.27539	0.7
72.99308	4.9
73.02946	2.1
75.00871	6.2
83.01390	12.1
84.02168	2.8
85.02953	100.0
86.00114	0.5
86.03284	1.5
86.46938	0.3
87.00881	3.3
88.01670	0.7
89.02463	0.5
98.20246	0.5
99.00874	1.1
101.02445	10.5
103.00358	1.4
103.04021	1.2
111.00883	42.4
112.01212	0.9
125.02473	0.9
129.01945	25.2
130.02266	0.6
133.01430	0.6
133.05064	0.6
135.04526	0.5
135.94278	0.3
143.03503	1.4
147.03003	6.4
159.03036	0.6
161.04512	2.3
173.00902	1.0
173.22574	0.4
187.02477	2.7
191.01985	3.9
202.73569	0.3
205.03526	39.6
206.03830	1.1
223.04581	45.6
224.04897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10849	0.3
54.65230	0.3
55.01876	3.7
57.03450	11.1
58.96196	0.3
59.01381	10.7
68.99813	1.6
69.41805	2.2
69.45728	0.3
71.01381	16.1
72.99310	5.3
73.02937	1.5
75.00872	7.2
79.05264	0.3
79.71535	0.3
83.01383	7.5
84.02177	2.7
85.02950	100.0
86.03290	1.2
87.00887	2.6
87.23604	0.3
89.02457	3.4
99.00925	1.7
99.01456	0.3
101.02441	1.5
103.00381	1.8
111.00883	4.5
115.00378	0.9
125.02389	0.4
129.01959	4.7
133.01466	1.9
141.01450	0.3
143.03508	1.8
147.02982	5.6
156.77223	0.4
161.04523	0.4
173.00891	1.3
191.01979	21.2
192.02332	0.6
205.03526	2.8
210.85814	0.3
211.66876	0.3
223.04567	6.0
223.06532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
57.03453	8.7
59.01379	11.7
60.36343	0.6
68.99811	1.1
71.01382	15.1
71.44755	1.0
72.99312	6.6
73.01183	0.9
74.99117	2.9
75.00868	5.5
78.95910	1.2
79.95734	1.0
80.96522	1.4
83.01383	9.6
84.02174	3.0
85.02948	100.0
86.03297	1.5
87.00871	2.4
89.02466	3.3
91.02244	1.1
99.00867	2.3
101.02460	3.2
103.00375	1.3
103.04809	0.7
111.00874	7.4
115.00413	0.9
126.90543	1.7
129.01945	5.1
133.01434	2.7
135.01201	0.9
136.99161	1.5
143.03479	2.3
147.02986	4.6
151.64137	0.6
173.00948	1.8
191.01961	20.4
192.29991	0.7
205.03500	2.7
222.87415	1.1
222.99095	0.8
223.02762	1.0
223.04605	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	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.3
55.01878	4.7
57.03447	12.4
58.00581	0.4
59.01379	11.4
67.01894	0.3
68.99814	2.0
71.01380	13.6
72.99312	5.8
73.02935	1.1
75.00871	6.5
83.01385	9.9
84.01791	0.3
84.02180	2.7
85.02948	100.0
86.03285	1.3
87.00878	1.7
89.02446	2.1
96.95993	1.6
98.19749	0.5
99.00871	2.1
101.02433	3.0
103.00362	1.8
108.71087	0.3
111.00878	13.0
115.00352	1.2
115.03976	0.4
121.02944	0.8
125.02483	0.5
129.01938	6.0
133.01425	2.3
143.03467	2.5
145.01334	0.5
147.02982	4.0
149.02463	0.7
152.01218	0.5
161.04599	0.4
165.01881	0.8
173.00916	1.4
179.07104	0.4
187.02440	0.7
191.01968	18.3
193.01389	0.7
193.33627	0.3
205.03503	7.5
208.03777	1.5
218.15190	0.3
223.02921	0.6
223.04546	11.1
223.06119	0.5
224.04691	0.4
233.60725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96361	0.5
53.00883	0.5
55.01878	4.4
56.39369	0.5
57.03446	19.2
59.01375	10.8
60.20193	0.5
62.14816	0.5
67.01883	1.3
68.99815	1.9
69.76289	0.5
70.25537	2.3
71.01008	1.0
71.01380	13.0
72.99312	4.7
73.02944	2.4
75.00879	5.6
79.95729	0.8
83.01384	12.1
84.02178	2.6
85.02949	100.0
86.03315	1.1
87.00875	5.0
88.01655	1.3
101.02438	12.4
101.65086	0.6
103.00368	1.5
103.04018	1.2
111.00881	44.5
111.71790	0.5
112.01226	0.9
125.02411	0.8
129.01939	28.1
143.03500	1.2
147.02977	6.6
147.18625	0.5
159.02983	0.9
161.04536	1.9
164.06252	0.5
173.00873	0.6
187.02460	2.7
191.01979	0.9
205.03522	45.2
206.03859	1.3
223.04579	52.4
224.04892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0819
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
52.92879	1.3
59.01379	100.0
59.57915	1.2
60.01723	1.4
61.98830	3.9
69.03455	49.7
70.26758	4.8
71.01387	2.5
71.05022	89.4
72.05340	2.1
73.02935	4.1
75.02407	3.8
85.02939	2.2
91.97742	1.1
93.03457	4.4
94.70377	1.4
101.02442	2.9
107.04993	4.1
108.02158	1.4
109.60640	1.2
113.02448	2.4
121.02959	41.9
129.01805	1.3
131.03503	2.2
134.03749	16.4
147.00874	12.0
147.08150	3.1
149.02455	2.0
149.09737	13.5
161.04539	7.8
165.01974	2.1
174.84155	2.8
177.05600	1.7
177.09241	15.8
190.99898	3.6
193.08673	2.8
206.02122	1.5
214.55342	1.4
221.04688	2.4
221.08197	32.4
221.11752	3.9
221.15308	1.7
221.84174	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81276	0.7
55.01870	4.7
57.03448	18.7
58.00571	1.3
59.01382	11.3
66.64925	0.9
68.99796	1.4
69.41459	1.8
69.41880	5.7
71.01373	11.9
72.99301	6.5
73.02925	2.3
75.00870	6.2
78.95906	4.7
83.01382	9.8
84.02153	3.5
85.02949	100.0
86.03291	1.2
87.00865	5.9
89.02451	1.1
90.29488	1.1
96.96004	3.5
98.19971	1.1
98.62794	0.9
101.02450	8.9
103.00378	2.4
103.03978	1.2
111.00881	37.0
117.64995	1.0
118.94205	9.4
125.02426	1.1
129.01945	22.9
136.95229	0.9
138.22255	0.9
147.03001	6.6
149.00960	1.9
159.57501	0.9
161.04466	1.3
182.48186	0.9
187.02457	2.6
191.01967	5.6
205.03519	34.8
223.04579	42.8
223.83273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
59.01380	100.0
63.51719	0.8
69.03466	1.4
70.38730	2.6
71.01384	11.3
72.99303	5.1
73.02938	6.1
74.99113	1.3
75.00871	55.4
76.56239	0.7
76.97003	12.2
78.95901	1.3
79.95738	2.1
80.96525	3.3
81.03458	0.9
83.01392	1.8
85.02951	5.5
85.98562	0.7
87.00879	4.5
89.02441	3.6
89.03984	0.7
94.98068	1.0
96.96033	1.1
97.02930	1.9
98.00047	0.7
99.00851	1.0
101.02435	5.2
103.00370	40.5
103.04055	2.1
103.92045	1.8
104.96530	2.8
105.22632	0.7
109.02985	1.8
113.02480	3.0
114.93459	0.7
120.93948	0.7
121.02956	1.4
125.99622	0.9
126.90536	4.0
129.01944	25.3
129.02846	1.5
131.03531	2.9
133.02939	4.9
141.01968	2.5
143.03564	1.0
147.02995	3.7
148.95476	77.0
149.02448	1.2
149.06125	1.2
149.95604	2.9
150.05623	1.1
151.04065	0.7
158.28348	0.7
159.03090	1.2
161.02513	1.0
161.04546	8.1
177.01910	4.8
177.05580	2.0
182.16922	0.8
187.07762	0.9
189.04115	1.2
190.99884	1.5
203.00154	1.0
203.02072	1.3
206.02242	1.0
220.87820	1.9
220.93977	4.8
221.01195	3.8
221.03001	1.0
221.04839	2.4
221.06604	2.1
221.08427	1.1
221.11832	2.0
221.15434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.03846	1.1
61.98822	9.0
69.30990	1.0
70.95401	1.9
70.95709	1.2
74.65038	1.1
75.56104	1.2
87.02309	1.1
100.91135	1.1
163.66455	1.0
172.88327	1.7
175.07597	1.3
175.11285	1.9
176.01091	2.0
207.84143	1.2
219.03011	3.8
219.06609	1.4
219.10228	2.9
219.17500	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	221.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03433	1.8
59.01380	100.0
65.00349	0.8
69.03443	0.9
70.02754	3.7
70.50613	0.8
71.01380	14.4
72.99303	3.7
73.02957	6.7
75.00874	70.7
76.96989	4.3
79.95737	2.4
80.96508	2.5
81.03448	1.6
83.01383	1.5
85.02946	4.0
87.00890	8.6
87.04508	1.1
89.00668	1.0
89.02426	2.9
93.03458	0.9
97.02940	1.2
98.19806	0.9
98.20430	2.4
98.38158	0.8
99.00925	0.8
101.02437	5.3
103.00376	57.6
103.04011	2.5
103.92062	1.2
104.96509	1.3
113.02423	2.6
115.00388	1.5
121.02957	1.3
125.02399	1.0
126.90476	3.3
129.01953	17.7
131.03534	1.2
133.01402	1.0
133.02954	2.7
135.04567	1.7
141.01926	2.0
143.03482	1.3
144.94574	0.8
147.02998	3.6
148.95477	29.7
149.06108	2.1
159.02922	1.2
161.02446	1.8
161.04561	7.8
163.06262	0.8
177.01891	1.8
177.05554	2.8
203.00266	1.2
203.01991	1.5
206.02168	1.2
220.87744	1.4
220.93991	2.0
221.01122	2.4
221.04689	3.5
221.08350	1.0
221.11703	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	219.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23220	0.7
55.01876	1.5
56.95966	0.8
57.03434	2.5
57.69641	0.8
58.65164	0.7
59.01360	3.0
59.98859	0.7
69.03448	1.7
70.64954	1.5
70.65298	1.7
71.01357	1.1
74.02455	1.2
81.03458	28.7
83.01388	33.6
85.02950	2.7
87.04510	6.4
88.04024	2.9
89.04413	1.3
97.02950	33.0
98.20341	0.9
99.04519	28.1
112.93393	0.9
115.03999	6.4
125.02448	100.0
126.02741	1.4
127.00388	9.3
132.04565	3.9
143.03497	17.5
144.04622	1.0
147.04463	1.0
147.08546	0.8
157.05054	6.8
159.02991	39.4
160.03346	0.8
175.03931	1.1
187.02472	45.5
201.04079	2.3
219.03026	1.8
219.05055	15.3
219.07680	3.1
219.10574	2.0
219.17558	3.8
221.24168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59732	0.2
58.22412	0.2
59.01384	1.5
63.65032	0.2
70.14063	0.8
71.01393	0.4
72.99298	0.6
73.02960	0.3
74.02480	0.6
80.96511	0.5
81.03486	0.3
83.01369	0.3
84.23294	0.2
85.02977	0.4
86.02488	0.9
87.00883	0.7
88.98814	0.4
92.05067	1.3
96.51353	0.2
96.96021	0.7
97.02988	0.3
98.20586	0.4
98.95621	0.8
99.00930	0.3
99.04514	0.3
103.92041	0.4
115.04025	0.3
116.05077	0.2
120.04555	0.6
124.19950	0.2
125.02464	0.7
128.05115	0.4
129.01865	0.3
129.05679	0.2
130.06648	1.9
131.03770	1.1
132.04572	0.9
134.06114	0.6
144.04576	1.0
145.02937	0.3
145.05121	0.2
146.04895	2.4
146.05977	0.4
146.97476	0.2
155.06029	0.2
157.07710	100.0
158.08055	3.0
159.03032	0.6
163.03943	0.3
175.04016	0.6
175.07613	0.3
175.08794	2.8
175.11240	0.5
187.02422	0.3
189.04927	0.2
201.04053	0.3
201.04863	0.3
201.06705	3.6
204.04208	0.4
212.50317	0.2
219.03197	0.3
219.05144	0.8
219.07744	14.5
219.17531	2.6
220.08124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1444
Annotation	CHEBI:79275
Peak:m/z	Relative Intensity
55.74470	0.4
55.87009	0.4
59.01382	2.5
61.98822	1.1
69.57333	0.8
69.57731	2.1
77.23902	0.4
99.92602	0.7
116.92863	3.3
125.16953	0.5
149.98180	0.4
153.09209	1.9
174.99252	0.9
185.11838	1.0
195.78038	0.5
199.85097	3.7
200.85162	0.8
216.85367	3.0
217.00311	0.9
217.14436	100.0
217.85338	0.6
218.10240	0.5
218.14796	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.03124	0.5
59.01376	1.7
69.61237	2.7
71.01381	10.0
71.05016	18.1
72.00881	0.6
73.02958	1.3
85.28073	0.5
88.04039	100.0
89.04403	0.8
99.04520	5.8
111.00888	0.7
116.03489	0.8
116.07157	2.5
129.05574	1.2
146.08226	50.9
147.08530	1.2
163.54170	0.5
218.10309	35.5
219.10571	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	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50794	0.3
53.81405	0.4
57.02299	0.4
58.05215	0.3
59.01380	100.0
60.01702	0.5
61.98833	3.7
70.81959	1.0
90.97138	2.1
99.20197	0.4
103.92039	0.4
109.98055	0.3
116.92885	0.9
118.96648	0.6
124.89134	5.0
128.42375	0.4
132.98209	2.8
158.84698	2.1
170.88481	1.6
174.99245	28.5
176.61467	0.4
188.89510	2.4
199.85037	0.6
216.85316	0.5
217.00281	31.9
218.00618	0.8
218.04678	0.8
230.54295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1079
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
56.04341	0.2
57.03185	0.3
57.03421	1.2
59.01382	1.2
60.99323	0.2
69.03452	0.3
70.35443	0.7
71.01377	0.7
72.99303	3.2
73.02936	0.4
73.20759	0.2
75.00871	0.4
75.62181	0.2
83.05027	1.1
85.02942	1.3
88.04044	0.5
88.98812	0.9
89.02425	0.3
95.05022	1.1
96.96017	1.5
97.02939	0.4
98.00078	0.3
103.70646	0.2
105.34029	0.3
109.06593	0.5
111.00871	0.5
111.04521	0.3
111.08192	0.4
113.02468	0.4
113.06100	2.1
120.05812	0.4
126.94382	0.6
129.01950	0.6
129.50395	0.2
135.08157	1.8
137.09706	0.7
138.06876	0.6
139.07637	0.3
145.03046	0.4
146.08185	0.4
153.09212	10.8
155.10809	0.3
159.05309	0.5
159.06621	9.0
187.10928	0.4
188.51579	0.2
199.09744	8.3
200.10081	0.3
217.10794	100.0
218.01039	0.2
218.11127	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	213.1132
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
52.23993	0.6
57.03431	0.6
59.01377	6.9
59.59044	0.6
61.98831	11.2
71.52174	0.7
79.95756	0.6
80.94024	0.6
81.03468	0.6
83.05040	0.7
97.02945	1.9
97.06580	0.9
99.92587	1.2
103.92033	0.9
108.02181	1.0
112.98624	0.6
115.41180	0.6
118.92425	11.2
119.92445	0.7
120.89893	9.6
121.89707	0.8
122.89465	0.8
123.91959	0.7
125.02483	1.2
125.09715	2.0
151.11287	11.7
153.91351	0.7
157.24738	0.7
168.91096	1.2
168.98914	10.5
169.12338	100.0
170.12677	3.0
177.90303	3.6
183.13869	1.0
184.90192	4.1
185.11830	2.2
194.99365	1.8
195.10281	1.8
195.13849	1.0
197.99185	0.9
212.01086	0.6
212.91209	3.0
212.94380	1.7
213.05594	1.6
213.11324	25.7
213.14903	10.0
213.18599	2.6
213.88271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03441	6.3
59.01372	20.3
59.71684	2.6
61.98835	11.6
66.88937	2.4
69.03459	4.4
71.01398	2.2
71.12276	4.9
73.88335	2.1
79.95740	6.3
80.29573	2.5
83.05023	47.8
95.05021	10.3
97.02938	5.1
97.06574	11.4
99.92602	2.4
107.05028	7.2
111.04488	3.1
111.08167	8.5
116.99768	2.5
118.92406	10.3
123.08205	11.3
125.02488	2.7
125.09723	4.7
135.08156	4.9
137.09715	5.4
139.11293	100.0
140.11623	2.9
143.98466	2.3
149.09692	5.3
151.11279	95.8
153.91414	3.5
165.09128	2.6
167.10757	8.2
168.98965	5.0
169.12302	11.9
177.09093	2.8
177.90335	4.5
180.08005	3.0
183.10257	33.8
183.13884	5.5
185.03734	2.8
185.11786	6.4
185.87650	3.4
185.90442	2.5
193.05057	2.3
194.99287	4.1
195.10258	18.6
195.13898	4.5
197.99210	5.5
212.91165	3.4
212.94392	50.1
213.01183	16.3
213.03259	10.6
213.05431	4.2
213.09328	3.5
213.11298	42.1
213.14899	26.8
213.18562	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39136	0.4
56.35624	0.4
59.01381	3.4
61.98831	6.4
69.19875	4.5
81.09739	0.5
83.04998	0.5
87.00875	0.6
97.02956	1.0
97.06609	1.0
99.92589	0.6
108.02187	0.4
112.98607	0.6
118.92429	7.2
119.92407	0.9
120.89885	4.3
123.08141	0.6
123.91978	0.6
125.02425	0.5
125.09719	0.9
131.03511	0.4
136.44753	0.5
151.11284	13.6
166.89183	0.6
168.91248	0.5
168.98950	7.5
169.12341	100.0
170.12654	2.4
176.98282	0.6
177.90315	2.0
183.13916	0.8
184.90213	3.0
185.11809	1.3
194.99338	1.3
195.10229	1.5
195.13823	0.6
197.99158	1.0
212.91096	2.5
213.01440	1.6
213.05714	0.6
213.11325	21.5
213.14796	5.8
213.18637	1.6
230.80193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03445	2.9
59.01377	2.2
61.98818	0.7
63.74519	0.3
69.03455	1.1
69.29768	2.7
75.83637	0.4
83.05044	1.1
85.06601	0.3
97.06606	0.4
98.19973	0.9
98.20638	0.7
99.04540	0.3
99.54057	0.3
101.78087	0.4
109.06574	0.5
111.08163	7.0
113.02474	0.3
118.92445	1.6
123.08164	32.8
124.08524	0.7
125.09722	4.4
127.11400	0.3
137.09726	6.6
138.41310	0.4
139.11290	54.8
140.11613	1.5
149.09708	0.4
151.11285	7.9
153.09244	1.0
153.67964	0.4
155.10744	0.6
167.10764	2.2
168.99008	0.4
169.12329	6.7
176.98225	0.3
185.11777	1.6
187.23520	0.4
195.13863	0.4
197.99100	0.4
212.91093	0.7
213.11313	100.0
214.11629	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
59.01376	6.9
61.98823	1.9
68.99822	1.2
69.03459	1.1
71.01386	1.3
71.35964	1.4
72.99318	1.8
73.02964	1.0
73.75143	0.9
78.95885	0.9
79.04112	0.8
79.95728	1.2
81.03435	1.0
83.05021	7.8
85.06592	2.8
97.02959	1.1
97.06582	0.8
99.63181	0.8
101.06081	15.4
111.08155	1.0
113.09726	1.6
118.92429	3.0
123.04510	0.9
123.08162	1.3
125.09709	2.2
127.04012	0.9
137.09738	1.5
139.11282	3.6
140.08424	4.8
141.09195	1.2
141.12840	5.0
143.80884	0.8
151.11288	4.3
153.09285	0.9
155.10788	2.1
167.10782	7.4
168.91045	0.9
168.98955	7.9
169.12338	90.6
170.12689	2.6
176.98230	0.8
185.11826	76.8
186.12158	2.9
187.70592	0.8
194.99330	2.5
195.10246	15.3
195.13811	1.1
197.11714	1.1
197.99199	2.1
213.01366	2.6
213.05766	3.4
213.11320	100.0
213.14896	9.3
213.18594	2.6
214.11638	3.6
214.14487	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.83712	0.4
59.01377	2.5
61.98820	1.2
62.52811	0.5
70.65499	1.1
71.01387	0.9
71.40768	0.4
74.28294	0.5
85.02943	2.4
89.02457	0.7
90.47189	0.4
93.03452	0.9
94.03010	0.8
99.32524	0.6
120.02245	0.6
121.02956	22.6
122.03311	1.1
124.04045	1.3
148.32645	0.5
165.01787	0.6
165.12949	0.6
209.00967	1.0
209.04639	2.9
209.11824	100.0
209.94980	1.0
210.12201	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03448	2.7
59.01378	100.0
59.58394	0.3
60.01710	1.0
69.61486	1.7
71.01405	0.3
74.28226	0.3
77.72661	0.4
77.92222	0.3
80.02680	0.3
81.03460	1.0
85.02955	1.0
87.41723	0.3
95.04934	0.3
97.06594	2.0
106.56853	0.3
109.06585	2.8
119.15095	0.3
121.02950	5.2
165.12819	2.8
166.47034	0.3
191.48720	0.4
209.00978	0.4
209.04555	0.8
209.11819	17.2
210.12108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98830	100.0
66.03477	0.4
71.06817	0.5
73.02941	0.3
78.95889	0.4
83.71615	0.3
91.92112	0.7
94.03001	1.3
98.19915	0.3
121.91872	0.4
124.04044	3.9
124.89492	0.3
148.67329	0.3
164.96404	0.5
166.01469	0.5
166.91093	0.7
166.94003	0.3
191.99501	0.3
209.45180	0.2
209.94897	37.2
210.12227	0.3
210.91473	0.4
210.94896	1.4
211.13347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0247
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
56.33751	0.1
59.01382	0.6
61.98825	0.5
63.02398	4.4
65.00322	16.1
66.00665	0.2
71.51940	0.2
71.52367	0.2
72.10095	0.1
81.03445	0.2
82.87443	0.1
83.01385	7.7
84.01719	0.1
88.98642	0.1
95.01414	0.5
95.05015	0.1
102.62840	0.1
107.01388	22.6
108.01726	0.4
108.99297	0.4
116.92941	0.2
121.02936	0.2
123.00867	0.2
124.89424	0.2
125.04346	0.2
128.31525	0.1
151.00362	100.0
151.91718	0.2
152.00700	2.7
164.98393	0.2
167.10796	0.3
168.65265	0.1
169.01390	0.6
178.99852	6.5
179.10535	0.1
180.00151	0.2
181.01321	0.1
183.03012	0.7
183.04362	0.1
183.13863	0.2
210.82123	0.2
211.02446	5.7
211.05756	0.2
211.09775	0.2
211.13368	2.1
212.02945	0.2
213.56471	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	209.1182
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.42577	0.8
56.28268	0.7
57.03446	3.4
59.01380	16.6
61.98822	3.8
69.03458	14.3
70.65765	2.5
71.01386	4.2
71.05020	1.5
75.40465	0.7
77.45664	0.8
80.02690	1.0
83.05025	3.7
85.02955	11.4
89.02432	1.9
91.01894	1.3
91.05421	0.8
93.03455	3.2
94.02969	1.2
95.05018	2.4
96.96031	3.9
97.06598	1.1
109.02891	0.9
109.06593	1.9
111.08150	2.0
120.02198	1.3
121.02957	70.5
121.10223	1.7
122.03300	2.5
124.03997	5.2
133.01413	1.7
135.08174	1.2
136.32393	1.1
137.02429	1.1
137.09698	0.9
139.07634	1.0
147.11761	1.3
153.09193	3.5
163.11301	3.4
165.05580	1.4
165.09196	2.5
165.12854	14.3
173.09669	1.2
181.12331	13.1
191.01987	2.4
191.10760	20.9
192.11256	1.0
203.86620	0.8
208.82468	1.2
209.01151	1.5
209.02957	2.5
209.04619	10.9
209.08458	4.7
209.11813	100.0
209.94835	1.4
210.12123	5.4
220.66786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
56.98023	1.2
57.03448	11.8
58.99604	79.8
59.01110	1.3
59.01378	15.3
60.27231	1.0
61.91185	1.0
63.96243	4.1
68.99814	2.2
71.01382	31.3
71.50784	1.9
72.99309	12.7
73.01174	54.0
73.02942	1.3
73.98322	4.3
74.99096	52.6
75.00862	5.9
79.95740	2.4
80.96513	5.5
83.01392	3.5
84.02174	2.3
84.21606	0.9
85.02951	100.0
86.03275	1.7
87.00877	13.4
89.02463	8.0
91.03365	0.8
98.20252	1.5
99.00874	8.0
101.02448	1.2
103.00378	2.9
103.02243	2.2
108.72685	1.0
111.00866	7.4
112.98816	20.8
115.00352	3.2
117.97252	1.5
121.03300	46.3
122.03671	1.3
124.98824	3.5
129.01938	9.3
133.01428	10.5
135.98351	7.1
136.99142	34.0
137.02458	1.3
141.62538	1.0
142.99863	77.9
144.00201	2.0
145.01361	1.4
147.03017	4.1
165.02014	1.7
172.99455	1.8
173.00906	25.3
187.18137	1.2
191.01964	25.8
191.03825	8.9
208.98737	1.8
209.01091	2.6
209.03003	33.4
209.04898	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	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
54.39167	0.3
55.01861	0.5
57.03447	2.5
59.01381	3.1
60.44799	0.4
68.99818	0.5
71.01377	5.1
72.99307	1.3
75.00868	1.1
77.03980	0.5
83.01389	1.0
84.02134	0.6
85.02950	19.4
89.02431	1.9
91.01890	1.5
93.03445	0.6
98.19905	1.1
103.00391	0.9
111.00894	1.2
120.02180	3.9
121.02955	100.0
122.03294	2.4
124.04058	0.7
129.01953	1.3
133.01418	1.5
136.01662	1.3
141.93507	0.4
146.60976	0.4
147.02956	0.7
150.03259	0.5
165.00116	4.8
191.01982	5.6
191.03516	0.7
194.02203	0.5
208.99165	1.6
209.02936	4.9
209.04576	16.0
209.31143	0.5
210.04868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
53.01165	0.7
57.03437	3.0
59.01377	1.0
67.14227	0.7
69.41977	5.4
71.01382	5.3
72.99309	33.3
74.99073	0.9
83.62615	0.9
85.02956	18.8
89.02465	1.7
91.05524	1.2
98.19898	1.4
101.04021	1.0
101.22538	0.8
102.74957	0.8
103.05544	4.7
117.03453	1.3
119.05045	10.5
121.02957	5.5
124.04035	1.0
129.01945	1.5
133.01431	2.1
135.04535	7.0
147.04518	32.4
163.03998	4.2
167.93971	0.8
191.02014	4.8
191.03513	100.0
192.03868	3.3
209.03038	3.6
209.04590	47.3
210.04968	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	209.0301
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
54.17501	0.3
55.01871	1.6
57.03447	11.4
58.00586	0.6
59.01067	0.5
59.01377	14.6
68.99808	1.8
71.01380	23.8
71.53204	0.3
72.99304	7.0
73.02928	0.8
75.00872	5.3
78.20824	0.3
80.39120	0.3
82.26277	0.3
83.01385	2.7
84.02172	2.6
85.02947	100.0
86.03291	1.2
87.00863	2.9
88.47161	0.3
89.02439	8.7
99.00868	0.8
101.02412	1.3
103.00358	2.2
111.00159	0.5
111.00880	5.8
115.00372	2.4
119.67229	0.3
129.01942	7.7
133.01428	10.4
133.02448	0.5
145.01404	0.4
147.02994	3.9
163.02473	0.3
165.21191	0.3
173.00909	2.4
189.38058	0.3
191.01965	28.1
192.02306	0.4
198.14592	0.3
209.03011	29.5
210.03395	0.5
217.00923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44875	0.3
55.01872	1.7
57.03450	10.4
58.00608	0.5
58.03760	0.4
59.01379	14.9
67.95718	0.3
68.99819	1.6
69.00152	0.3
69.37915	2.3
71.01382	26.1
72.01695	0.3
72.99311	5.9
73.02927	0.5
75.00873	4.0
79.45463	0.3
83.01379	2.2
84.02169	2.6
85.02951	100.0
86.03260	1.4
87.00871	2.7
89.02446	10.6
101.02435	0.5
103.00381	2.7
111.00906	1.2
115.00359	1.5
125.31119	0.3
129.01953	5.9
133.01433	13.2
147.03012	4.1
173.00925	0.6
191.01976	18.4
192.02477	0.4
209.03023	40.7
210.03386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02974	35.2
60.77164	0.9
69.43563	4.1
69.43972	2.5
70.02982	13.6
72.00897	5.7
91.05530	14.3
93.70876	0.9
98.20699	1.9
103.05485	1.5
135.04477	1.6
139.63071	1.0
147.04520	33.6
148.04843	1.2
159.08920	1.0
162.09244	1.3
164.07156	100.0
165.07478	2.6
206.08203	48.3
207.08464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
61.98830	100.0
62.98529	0.1
63.99245	0.2
71.01060	0.2
85.02957	0.2
107.68065	0.1
118.98105	0.1
129.01941	0.3
147.02994	0.3
162.98460	1.4
163.98462	0.1
164.96358	0.3
177.01987	0.3
183.74052	0.1
192.04314	0.2
206.97455	10.1
207.06677	0.2
207.10202	0.2
207.97615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0301
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
50.32780	0.3
53.04586	0.3
54.97208	0.2
55.01872	1.9
57.03448	10.7
58.00594	0.5
59.01379	13.6
59.67895	0.2
63.27006	0.3
68.99821	1.9
69.41113	1.7
71.01382	22.6
72.01711	0.3
72.99309	6.0
73.02946	1.0
75.00870	4.7
77.07044	0.2
83.01392	1.8
84.02168	3.0
85.02950	100.0
86.03296	1.4
87.00860	3.1
89.02444	8.5
95.16649	0.2
99.00878	0.4
101.02439	1.6
103.00388	2.6
111.00875	5.1
115.00377	2.0
115.88441	0.3
129.01947	7.6
133.01436	9.9
145.01396	0.5
147.03001	4.2
173.00929	2.4
191.01976	29.5
192.02342	0.6
209.03020	30.8
209.17293	0.2
209.51836	0.2
210.03328	0.7
212.46530	0.3
222.97784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
64.11803	0.4
67.01884	4.8
70.90933	0.8
70.91270	0.5
72.99308	10.2
73.02933	3.0
75.11820	0.5
83.01401	1.9
85.02960	3.1
87.00874	32.4
90.05157	0.5
99.00866	1.0
99.04506	1.3
101.02435	0.9
111.00879	100.0
111.84279	0.6
112.01206	1.4
115.03988	2.2
129.01990	1.2
143.03494	12.0
154.99815	4.0
173.00879	6.3
205.03519	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.6
55.79351	1.5
57.03453	11.1
59.01366	6.7
67.01884	4.3
70.37077	5.0
71.01383	12.2
71.05020	14.8
72.99296	7.3
73.02944	7.8
75.00861	5.0
78.95906	12.0
81.03455	5.5
83.01388	9.1
85.02955	46.1
87.00880	18.4
89.02434	3.6
89.59148	1.7
97.02928	2.2
99.00878	13.4
99.04520	35.6
99.48199	1.6
101.02441	39.9
111.00884	47.7
111.79751	1.4
112.98083	2.0
112.98811	26.5
115.00313	2.5
115.04012	18.0
117.05479	1.6
125.02442	100.0
126.02836	1.6
129.01915	3.6
143.03514	19.9
145.01431	51.2
154.99817	2.2
161.04524	2.3
173.00882	2.6
187.02466	33.2
205.03526	43.6
205.07208	3.8
206.01163	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
50.53025	0.1
59.01386	0.6
61.14362	0.1
61.98823	0.5
67.54567	0.1
71.01364	0.4
71.51610	0.1
72.99310	0.3
85.02974	0.2
97.62418	0.1
99.00871	0.3
111.00896	0.2
114.20875	0.1
115.00336	0.4
117.03443	0.2
120.89568	0.1
133.02975	0.2
142.99821	0.1
149.09706	0.1
154.22940	0.1
156.86717	0.1
161.02467	0.3
162.89330	0.2
175.11278	0.1
189.12859	1.6
205.01392	0.5
205.15968	100.0
206.16312	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	202.9285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.6
69.03448	0.7
70.91196	1.0
71.01385	0.6
72.99307	1.3
74.95381	0.8
76.98283	0.6
87.92517	3.5
88.93311	1.1
94.99304	1.6
97.02944	1.2
103.92028	100.0
104.73896	0.4
104.92110	1.0
104.92789	4.2
104.96571	2.7
104.97740	22.2
106.94373	4.5
121.93076	0.7
129.01932	0.6
130.94376	32.0
131.94626	0.4
141.01933	0.8
148.95424	32.3
158.93866	0.8
166.83340	0.4
174.94678	0.5
202.92752	6.2
202.94156	19.0
203.01982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01371	1.9
72.00908	25.1
74.02471	34.5
77.52272	0.8
90.08874	0.7
98.19860	1.4
103.92036	2.8
104.97768	5.1
116.05061	100.0
117.05390	2.3
121.59492	0.9
130.06584	2.1
142.06618	26.5
157.07649	0.9
159.09264	19.3
159.10562	1.2
160.09689	1.0
161.04834	1.1
173.15720	1.1
186.05600	3.4
190.68451	0.7
202.94144	6.0
203.08252	73.4
204.08536	2.9
218.98068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18256	0.1
59.01380	3.4
60.01712	1.3
61.01811	0.4
61.98831	100.0
69.14154	0.1
69.94014	0.7
76.01012	0.1
88.23033	0.1
98.20288	0.4
157.52307	0.1
158.14159	0.1
158.82060	0.1
160.03777	0.2
167.29134	0.2
203.55959	0.1
204.00009	1.3
204.02675	0.7
205.16098	0.1
214.16354	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	202.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.5
71.01390	0.8
71.21078	0.6
72.99329	0.6
75.00880	0.4
76.98252	0.5
78.91897	0.4
82.70736	0.4
83.05016	0.4
85.02959	0.4
94.99305	0.8
99.00865	0.6
99.92618	0.8
100.04039	0.4
103.92033	8.7
104.59926	0.4
104.97743	14.0
106.94376	0.5
114.09232	0.5
116.05059	0.5
116.92835	0.5
119.05051	0.5
121.03044	0.4
121.13792	0.4
127.04016	0.7
128.03537	0.5
130.08739	100.0
130.94376	2.3
131.05017	1.7
131.09076	2.3
147.04593	0.5
148.95470	2.6
148.96640	0.6
155.46263	0.3
155.91287	0.4
158.08252	1.5
159.04478	0.7
159.89348	1.3
160.89322	0.7
171.03003	0.4
174.94626	0.4
175.04048	1.2
182.94753	0.3
201.90295	0.5
202.05408	0.4
202.07266	0.8
202.11652	0.6
202.94183	15.3
203.03535	2.4
212.99539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
71.01392	0.8
71.27476	0.3
71.97072	0.2
73.02943	0.3
81.03468	0.2
83.05019	1.5
89.52760	0.2
98.26601	0.2
100.04053	1.5
103.92033	2.4
104.97726	3.2
127.04019	0.7
130.08734	100.0
130.94371	0.6
131.04984	0.3
131.09093	1.9
148.95416	0.7
158.08194	1.8
158.12674	0.2
174.94554	0.3
202.07210	1.7
202.94160	3.5
203.03615	0.5
203.05460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
56.64286	0.5
59.01380	23.5
61.98849	2.6
67.27906	0.5
69.03453	1.1
83.05034	0.5
83.51537	0.4
88.98820	1.4
94.24522	0.4
95.01387	0.7
97.02889	0.5
97.06647	0.5
99.92590	17.5
101.92484	1.5
102.92367	0.6
110.96989	2.2
113.02493	0.5
113.06052	0.5
116.92864	12.9
117.01961	0.6
123.08154	0.6
125.09708	5.5
127.11317	0.7
139.11305	1.1
141.86813	0.8
141.93634	19.5
144.12700	0.4
155.14418	5.5
157.08801	0.6
158.89270	0.9
163.83974	1.3
164.83604	14.4
165.83606	1.1
166.83276	4.3
173.06149	0.6
183.10284	1.1
183.13911	1.8
199.13344	0.6
200.80508	1.3
200.85164	2.1
201.02481	1.1
201.05583	1.7
201.11354	5.3
201.14966	100.0
201.80186	10.2
201.95758	2.3
202.15308	4.0
215.80739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71956	0.2
51.00815	0.2
57.03441	0.6
58.15823	0.3
58.97176	0.5
59.01379	9.4
69.03419	0.3
69.91516	0.5
69.91921	0.9
70.02986	0.5
71.01363	0.3
72.99313	1.1
73.02944	8.5
74.02468	1.9
75.93229	0.3
76.98242	1.4
82.02991	0.6
84.04549	2.8
87.00863	0.5
87.92521	1.1
94.99307	3.5
97.02979	0.4
97.06561	0.4
98.02469	1.4
98.06109	0.6
102.92361	0.4
103.92032	30.3
104.92823	1.4
104.97739	39.3
106.94375	1.7
113.02448	0.4
115.07679	0.5
126.05600	1.5
128.03539	100.0
129.03893	1.4
130.04291	0.4
130.08766	0.4
130.94380	8.0
130.95598	0.4
131.05032	0.8
141.05626	0.7
142.54546	0.3
147.04544	0.5
148.94234	0.6
148.95435	9.6
148.96709	1.1
150.40245	0.3
158.93857	0.6
159.04466	0.3
159.06671	0.4
159.89384	1.4
160.06212	2.2
160.89310	0.5
164.55960	0.3
170.04585	12.1
174.03253	0.3
174.94698	0.9
175.03981	1.3
185.04562	0.6
194.88516	0.3
202.07182	0.6
202.94174	38.6
203.03566	2.0
203.05644	0.9
203.07339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.9653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
59.92677	0.5
60.99309	9.3
69.59703	3.1
70.02225	0.4
74.99371	0.8
75.00845	0.5
78.95908	3.2
85.02972	0.7
87.92518	0.8
88.98804	59.3
96.96961	7.3
98.19994	1.0
103.92094	0.8
110.97002	100.0
111.31467	0.5
128.96823	1.6
128.98061	2.2
140.85306	0.5
163.83971	2.6
164.83614	18.9
165.83630	2.6
166.83281	4.7
166.84253	0.4
178.88486	0.6
200.80550	2.0
201.80211	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	0.6
70.67588	0.8
70.67949	0.5
78.06885	0.3
90.28940	0.3
101.28613	0.3
113.04601	0.5
135.59596	0.3
157.03558	5.9
159.01472	2.0
193.53279	0.3
195.67152	0.3
201.02542	19.5
202.02684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74254	0.3
50.88100	0.3
52.26642	0.3
57.03448	3.9
59.01382	6.5
61.98831	1.3
68.09238	0.3
69.03465	1.0
70.22670	0.3
71.05044	0.4
80.02685	0.5
83.05075	0.3
95.05047	1.2
97.06587	11.5
98.20411	2.1
99.92593	3.5
101.92513	0.4
110.97027	1.1
116.92095	0.6
116.92864	8.3
123.08167	6.5
124.43111	0.4
125.09724	100.0
126.10052	2.2
139.11296	1.4
141.93625	3.1
158.89418	0.6
164.83647	1.7
166.83255	0.4
169.08670	3.0
183.10355	0.6
187.09717	0.9
200.85333	0.5
201.05670	0.6
201.07564	0.7
201.11308	12.4
201.14937	1.2
201.80264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.57883	0.7
55.25919	0.8
57.03440	2.4
58.02982	4.9
59.01373	5.0
69.03460	2.2
69.57648	4.1
69.58051	1.6
71.01376	1.7
71.05022	1.3
72.99304	23.7
73.02959	1.0
74.33916	0.9
82.85574	0.7
83.01384	1.2
83.05048	1.6
85.02966	1.2
85.06594	1.1
87.00880	1.4
87.04507	1.7
93.03453	0.8
95.01405	1.1
97.02882	0.7
97.06606	1.3
107.08685	2.7
109.06631	0.7
111.08115	0.9
117.03458	7.1
125.09745	4.4
127.11308	1.8
137.09753	2.1
139.11276	4.8
145.06618	1.4
155.10783	9.4
157.06656	1.4
157.08684	1.2
158.03799	1.0
158.89325	0.8
161.01282	0.8
173.06049	8.3
183.10268	38.7
184.10626	1.5
201.02074	1.7
201.05673	5.3
201.11346	100.0
202.11592	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	199.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.03444	0.6
57.47595	0.4
59.01370	1.1
61.98829	2.8
65.00326	0.5
67.01878	1.4
68.99816	0.8
69.03461	0.8
70.13021	0.4
71.01373	0.7
71.05023	2.2
71.52663	0.7
72.99301	0.4
73.02946	1.0
83.01377	1.1
83.05049	0.5
85.02936	0.9
85.06591	0.5
92.99819	1.1
95.05017	0.4
99.00886	2.4
99.08141	1.1
99.92574	0.8
101.73082	0.4
111.00867	3.0
111.04562	0.4
111.08150	0.5
111.48306	0.4
113.02460	1.0
116.92869	2.2
120.87366	0.4
122.86135	0.3
123.08145	0.7
124.13448	0.3
125.02480	0.6
125.09716	1.2
127.00362	1.0
127.04009	1.0
127.11271	3.1
128.11586	0.5
136.98796	1.2
137.09734	1.3
146.28909	0.3
153.12878	1.5
154.99850	0.8
155.10774	6.7
155.14423	0.9
156.10300	0.4
156.89455	0.9
162.83948	3.6
163.11134	0.4
164.83646	2.7
169.12389	0.5
171.10329	0.4
180.97801	0.9
181.01512	0.8
181.08701	0.5
181.12306	0.6
197.11865	1.9
198.90840	0.5
198.98824	0.8
199.06090	1.4
199.09683	3.5
199.13391	100.0
199.16983	2.7
199.80478	2.5
199.85118	1.8
200.13748	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	199.1341
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
55.16789	0.6
57.03438	1.1
57.55600	0.6
59.01371	2.6
59.25990	0.5
61.98824	6.2
65.00331	1.2
67.01878	2.2
68.99815	1.0
69.03481	1.1
71.05033	1.4
71.08817	1.1
72.99372	0.7
73.02949	1.4
81.03433	0.7
83.01378	1.8
83.05048	1.3
85.02947	1.6
92.99823	2.2
93.03481	0.7
95.05007	0.8
99.00894	5.6
99.08147	3.1
99.92583	2.8
111.00859	4.2
111.04493	0.7
113.02441	2.9
114.93372	1.2
116.92855	6.0
123.08189	0.9
125.02479	1.0
125.09719	0.7
127.00384	2.0
127.04021	1.3
136.98825	1.8
137.09718	1.6
154.99898	0.9
155.07097	0.8
155.10779	9.3
156.10226	0.7
156.89391	1.1
162.83917	5.9
163.83997	0.9
164.83640	6.2
169.12311	4.1
170.88478	0.7
181.08685	0.9
181.10838	1.3
181.12335	17.7
181.98410	0.7
197.11786	1.3
198.12144	0.6
198.51926	0.6
198.90662	0.6
198.98830	0.8
199.06094	1.8
199.09808	4.5
199.13394	100.0
199.17029	5.1
199.80469	5.3
199.85097	4.1
200.13737	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	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03448	9.1
57.74308	0.4
59.01374	1.7
60.20900	0.5
61.98824	3.4
65.00310	0.6
65.30589	0.4
65.88931	0.5
67.01894	1.1
69.03455	0.6
69.51847	1.8
69.52267	1.0
71.01366	0.6
71.05019	8.0
71.50064	0.4
73.02950	1.1
83.01380	1.3
83.05013	2.0
85.02955	1.0
87.00869	0.5
92.99804	1.5
95.34001	0.5
98.19808	0.7
99.00884	3.3
99.04532	0.5
99.08157	1.5
99.92578	1.7
107.53117	0.5
109.06618	0.6
111.00883	2.9
111.04476	0.5
113.02441	1.6
116.92847	3.3
123.08171	0.7
125.09707	1.4
127.00384	0.5
127.03990	1.0
134.16980	0.4
136.98796	1.1
137.09729	1.3
153.12848	14.5
153.14124	0.8
154.99756	0.5
155.07217	0.6
155.10786	9.1
156.89380	0.6
162.83896	4.5
164.83615	4.0
171.10170	0.7
181.01405	0.7
181.08696	0.7
184.00179	0.6
198.90781	0.6
198.98776	0.7
199.09811	4.4
199.13393	100.0
199.16959	2.8
199.80521	4.0
199.85040	3.4
200.03641	0.6
200.13765	3.6
201.62599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.5
59.01376	4.4
59.62404	1.1
65.00327	75.4
67.01888	12.8
69.03456	1.6
71.01400	1.6
71.05011	2.7
72.99321	1.9
73.02960	2.7
75.00874	5.6
78.95913	5.4
79.01886	2.2
79.95739	1.6
81.03459	3.0
83.01392	4.7
83.05029	3.4
83.75419	1.1
84.21532	1.6
85.02940	2.9
87.00859	1.6
92.99817	1.8
93.03458	1.7
95.01390	35.1
95.05032	1.5
96.96968	7.2
97.02956	1.7
98.20474	1.5
99.00906	1.3
99.04521	1.8
100.04048	1.7
109.02979	1.5
109.06615	1.6
111.00901	4.4
111.04507	5.1
111.08169	3.2
113.02457	4.4
116.01205	1.7
119.10046	1.1
123.00893	100.0
124.01225	1.3
125.02455	2.6
125.06040	1.5
126.26391	1.2
127.04035	6.2
135.04552	6.8
136.98837	1.9
137.06119	7.9
137.09708	4.1
141.01959	4.8
155.03506	9.6
155.07156	4.0
155.10768	15.0
156.89439	3.4
181.05049	1.5
198.98901	1.9
199.00674	12.2
199.02347	2.0
199.06145	5.5
199.07936	1.9
199.09737	11.8
199.13396	9.6
199.17056	7.7
200.01019	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.86038	1.2
57.03446	17.7
59.01373	5.0
61.98812	4.2
65.00315	5.3
66.03483	1.3
67.01899	2.5
68.99840	1.7
69.03456	6.5
71.05013	2.9
71.52587	1.5
71.52996	1.6
74.01831	1.2
78.95906	4.8
81.03421	1.6
83.01392	2.1
83.05025	3.9
85.02947	1.7
89.00309	3.4
91.01881	1.7
93.03438	1.6
95.01381	10.2
95.04988	1.8
96.95992	1.8
97.02950	1.5
103.97633	2.3
106.00575	1.5
108.02216	1.5
109.02953	3.4
109.06605	1.9
111.00885	1.7
111.08169	2.1
116.92873	20.2
117.92813	1.9
121.02962	15.7
123.00882	58.6
124.01170	2.0
125.02416	2.5
125.09761	1.9
126.90518	10.2
135.08131	3.4
137.09721	46.7
138.03235	16.6
138.10025	1.5
151.00378	2.1
152.01163	1.3
152.98590	1.5
153.01933	4.3
153.05592	14.2
153.09259	9.4
153.12851	84.4
154.13173	3.7
160.84216	5.1
162.83934	13.8
166.99854	42.8
169.12366	2.7
169.58005	1.4
176.98308	2.8
178.99857	56.9
179.10741	13.6
180.00188	1.7
181.01372	1.6
182.02197	97.1
183.02504	3.4
196.89471	9.4
196.91098	2.7
197.00908	15.4
197.02704	2.0
197.04550	34.3
197.08147	4.1
197.11826	100.0
197.80843	8.8
198.04979	1.5
198.12169	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01369	0.7
61.98828	0.7
69.03458	1.9
69.32166	3.1
69.32580	1.1
72.78065	0.6
83.05022	1.0
88.32637	0.5
95.01385	0.8
97.06538	0.6
98.20652	1.2
101.96254	0.7
104.69932	0.6
116.92860	3.4
120.82464	0.5
121.02964	1.1
123.00880	2.9
126.90439	0.9
152.73775	0.5
153.05602	0.8
153.09236	2.0
153.12848	3.9
160.84247	4.4
161.84218	0.8
162.83908	14.6
166.99854	1.0
168.46332	0.5
169.12349	17.4
173.60902	0.5
179.10739	1.7
182.02164	3.7
196.89503	0.6
197.11829	100.0
197.80792	6.3
198.12160	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
61.98834	0.9
69.03465	0.9
69.15139	2.9
69.15543	0.5
71.05038	1.3
78.95907	0.7
83.01409	0.3
95.01397	1.2
97.06586	12.3
99.08163	4.0
109.02963	0.4
109.06594	0.8
111.08167	0.9
116.92859	4.4
121.02991	2.2
122.03767	1.7
123.00885	4.8
125.02475	1.0
125.09708	0.8
126.03223	1.1
126.90499	1.2
137.09735	2.0
138.03204	1.5
145.57184	0.3
151.11281	1.2
153.05597	1.1
153.12856	100.0
154.13188	4.1
160.84218	2.6
162.83911	7.2
166.99860	4.3
169.12378	0.5
177.62560	0.3
179.10779	22.7
180.11127	0.8
182.02223	9.0
196.66284	0.3
196.84241	0.3
196.89442	1.1
197.02060	1.0
197.04575	2.9
197.06224	0.5
197.08223	0.5
197.10181	0.6
197.11821	11.3
197.15483	0.5
197.80789	5.1
198.12108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0203
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
57.55791	0.3
59.01381	0.7
61.98820	1.2
62.67658	0.3
64.01926	0.8
65.00286	0.5
65.03961	1.4
65.99809	0.5
68.99858	0.4
69.03447	0.3
69.85189	1.4
71.05019	0.6
74.67506	0.3
78.42373	0.3
78.95905	1.6
81.03465	0.5
81.63354	0.3
83.01399	0.6
83.05034	0.6
89.00347	0.6
93.03443	0.4
95.01396	3.3
99.92614	0.6
109.02952	10.4
110.02497	0.5
110.03307	0.4
111.00878	0.5
116.92863	14.1
117.92854	0.7
121.02957	4.8
122.02471	0.8
123.00890	11.6
123.03275	0.4
123.04465	0.4
125.09791	0.4
126.90505	3.2
137.02448	17.1
138.01973	1.4
138.03195	3.0
139.00412	0.4
140.03552	2.7
150.01984	3.2
151.02753	0.4
151.11345	0.4
153.01979	0.8
153.05598	2.8
153.09274	0.8
153.12871	1.1
160.84196	6.3
161.84323	0.7
162.83916	16.5
166.01440	1.1
166.99872	10.0
167.02199	9.1
168.00200	0.4
169.12360	0.4
171.86058	0.3
175.20554	0.3
178.99861	0.6
180.01772	11.5
180.03316	0.8
181.01480	0.4
182.02209	22.9
182.92203	0.4
196.89673	4.9
197.02034	100.0
197.04495	6.5
197.09921	2.1
197.11827	6.9
197.80800	10.8
198.02333	1.6
199.01286	0.4
212.00778	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	197.0455
Annotation	Syringic acid
Peak:m/z	Relative Intensity
56.36034	0.6
59.01365	0.6
67.01894	0.9
68.99804	0.9
69.55573	0.7
69.94971	3.2
78.01091	0.8
83.01373	2.0
87.52342	0.6
89.00340	5.7
91.01900	3.4
91.61349	0.6
94.05816	0.7
95.01383	11.1
97.93351	0.6
106.00601	7.1
109.02966	1.3
111.00882	1.9
115.13237	0.7
116.92867	0.8
121.02958	69.3
122.03300	1.3
123.00884	59.7
124.01236	1.2
126.90485	1.0
127.00362	2.4
136.98849	1.1
137.02448	1.1
138.03227	16.6
139.00359	2.2
143.10484	0.6
145.93864	0.6
151.00352	0.7
151.97676	0.6
153.01927	2.8
153.05571	44.0
153.09161	1.0
154.02716	0.8
154.05885	1.4
154.99895	0.6
165.01910	1.0
165.74321	0.5
166.20529	0.6
166.99855	44.3
168.00169	1.5
181.01434	1.6
182.02205	100.0
183.02530	1.8
196.89528	1.6
197.04546	46.6
197.08253	2.1
197.11769	2.0
198.04945	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0615
Annotation	N,N-Dihydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
59.01368	0.5
60.80204	0.2
61.98837	1.4
63.10346	0.3
66.03482	1.1
69.38292	1.3
69.38704	0.7
73.11616	0.2
78.95882	0.3
95.01376	0.6
98.20069	0.9
98.63826	0.3
106.06627	0.3
108.08194	100.0
109.08509	1.6
110.02515	0.3
110.06074	0.3
116.92850	2.2
121.02957	1.0
122.02498	0.3
123.00873	2.8
124.03989	0.7
126.90516	0.6
138.03218	0.7
152.03674	1.3
152.07173	40.9
153.05560	0.7
153.07513	1.1
153.09254	0.3
153.12842	0.6
160.84224	3.5
164.03508	0.3
166.99849	2.3
182.02194	4.2
182.49565	0.3
195.81107	1.8
196.06140	17.0
196.09819	1.0
196.89452	0.6
197.04529	1.3
197.06334	0.5
197.11827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0091
Annotation	3,4-Dihydroxyphthalate
Peak:m/z	Relative Intensity
57.03450	7.3
59.01369	0.6
63.02386	1.1
63.61077	0.4
65.00323	10.6
66.03481	1.9
67.01889	3.9
68.03328	0.6
68.99819	7.6
69.03436	0.5
69.38280	0.4
71.01358	0.7
71.42233	0.8
78.95914	3.7
79.95753	0.9
80.62819	0.5
80.96494	2.7
81.03458	4.4
81.05899	0.5
83.01388	46.4
84.01754	0.6
85.02962	2.3
87.00861	0.4
87.78109	0.4
91.01913	1.2
92.63598	0.4
93.03458	0.7
94.03023	0.5
95.01401	3.4
95.05004	0.6
95.95200	0.4
96.96008	5.8
97.02947	0.9
98.95605	1.6
107.01388	11.4
108.02163	0.9
109.02952	22.1
109.06615	1.4
110.02494	2.0
111.00865	2.9
111.04459	0.7
116.92859	6.8
121.02972	4.0
123.00888	11.8
123.04543	1.4
123.08163	1.2
125.02450	21.1
125.09692	0.8
126.90522	4.2
129.29065	0.4
135.04527	8.7
136.98842	0.5
137.02451	2.0
137.69553	0.5
138.03239	3.0
151.00366	42.3
151.07629	0.6
152.00888	1.5
153.01936	100.0
153.05511	5.2
153.09189	6.6
154.02275	2.1
160.84201	7.4
161.84268	0.6
162.83919	16.0
166.99843	10.3
169.01453	1.3
178.88400	0.8
178.99857	1.2
182.02203	21.3
183.02452	0.6
196.84291	0.7
196.89580	5.6
196.91188	0.6
197.00890	7.7
197.02510	0.7
197.04549	8.4
197.06226	0.9
197.08180	2.2
197.11787	2.6
197.80795	10.1
197.82520	0.7
198.00330	0.9
208.89212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0458
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
59.01377	0.4
69.57928	0.3
69.58334	0.7
71.01353	0.3
72.01727	0.2
80.05054	0.6
90.88883	0.2
104.05087	0.3
106.06624	100.0
107.06955	2.3
108.04536	0.3
114.02727	0.2
135.04083	0.3
150.05597	30.9
151.05901	0.7
179.03035	0.3
194.04573	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	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
56.21339	0.2
59.01109	0.2
59.01377	2.2
61.98822	0.6
66.03476	0.6
66.03802	0.1
68.99564	0.8
70.92374	0.3
83.01364	0.3
85.02959	0.1
93.65836	0.2
95.01396	0.2
99.08092	0.1
101.00198	0.3
103.32843	0.2
109.06590	3.7
110.06931	0.2
111.08159	2.9
112.98560	0.8
121.02948	0.4
122.03717	0.4
123.00905	0.4
123.04545	0.2
123.08141	0.2
125.02412	0.2
125.09747	0.8
130.99213	0.3
135.06627	0.2
135.11784	0.5
136.05266	0.2
137.02463	0.2
137.06126	0.2
138.01868	0.2
138.06866	0.5
139.07607	0.3
150.03200	0.7
151.00397	0.2
151.04004	0.5
151.07578	0.2
151.11244	0.6
153.98611	0.1
154.99127	0.2
155.07043	0.2
160.84204	4.3
165.01888	0.2
165.05533	0.2
165.12921	0.2
167.03539	0.1
167.14410	5.6
168.14767	0.2
176.89561	0.3
179.10779	4.6
180.04271	0.5
180.11510	0.3
183.13918	0.3
188.37814	0.1
194.90294	0.8
194.92023	0.3
194.99330	0.2
195.02896	0.4
195.13895	100.0
195.81111	1.9
195.90604	0.2
196.06107	0.2
196.09804	0.8
196.14246	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	193.0506
Annotation	Silvaticol
Peak:m/z	Relative Intensity
50.17413	0.5
53.02808	0.4
55.01875	0.7
57.03455	0.8
58.93875	0.4
59.01380	3.3
62.75390	0.5
69.03455	0.5
70.71169	1.0
71.01385	7.7
73.02945	3.2
83.01418	2.0
85.02952	7.7
86.00102	0.5
87.00884	2.6
89.02430	1.0
91.05554	1.2
93.03473	0.8
95.01379	2.9
97.02980	0.8
97.48333	0.5
99.00882	3.0
101.02425	4.3
108.02190	0.6
111.00933	0.5
112.32830	0.5
113.02440	6.9
117.03455	2.9
121.02994	2.2
123.00913	0.5
123.58681	0.5
125.02475	0.6
126.88469	0.4
133.02937	0.9
134.03731	9.3
135.04538	3.4
137.02440	2.0
139.04012	0.6
141.01921	0.7
149.06084	100.0
150.06390	2.4
155.03497	0.4
161.02469	0.7
161.04553	5.3
175.06198	0.5
178.02728	6.5
180.04677	0.5
191.05533	0.5
193.05063	43.2
193.07098	4.3
194.05437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	D-Glucaro-1,5-lactone
Peak:m/z	Relative Intensity
53.00304	0.2
55.01877	2.7
57.03449	14.7
58.00595	0.3
59.01381	8.6
68.99812	0.8
70.63430	0.4
71.01373	2.0
71.01679	0.2
71.88728	0.2
72.99310	1.1
73.02974	0.3
73.99432	0.2
75.00867	0.3
78.68718	0.2
83.01397	1.9
84.02168	3.3
84.78135	0.2
85.02952	100.0
86.03296	1.3
87.00871	1.1
98.20370	0.3
99.00883	0.7
103.00377	1.6
111.00875	3.2
129.01990	1.1
145.01396	0.2
147.03009	3.1
147.04404	0.3
173.00970	0.4
180.97542	0.2
191.01979	11.4
191.05595	1.2
208.01595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	D-Glucaro-1,5-lactone
Peak:m/z	Relative Intensity
53.00311	0.3
55.01876	2.3
55.52474	0.2
57.03446	13.8
59.01377	7.6
66.30181	0.2
68.99809	0.7
70.49509	0.4
70.49885	0.3
70.70373	0.2
71.01382	1.9
72.99310	0.8
83.01382	1.6
83.14287	0.2
84.02167	2.6
85.02947	100.0
86.03286	1.0
87.00884	0.6
88.68749	0.2
88.96201	0.2
99.00877	0.5
100.79757	0.2
100.94937	0.2
103.00367	1.1
109.92313	0.2
111.00868	0.9
123.44255	0.2
129.01949	0.7
145.01382	0.3
147.03000	3.4
148.29057	0.2
173.00883	0.6
191.01973	12.2
201.61906	0.2
207.14476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03442	0.8
59.01379	6.8
61.98842	0.7
69.44578	0.4
69.44978	1.5
71.01389	0.6
72.99342	0.3
73.02945	0.6
77.03944	0.3
85.02952	3.6
87.00874	2.4
90.96760	0.2
93.03474	0.4
98.19863	0.3
111.00881	5.2
111.11237	0.2
112.01292	0.2
116.92796	0.3
118.82465	0.3
118.99311	0.5
119.05054	1.2
121.02958	100.0
122.03295	2.0
129.01849	0.3
131.03545	0.4
135.04558	0.3
145.86281	0.8
147.00882	0.3
147.04514	6.0
148.03963	0.3
163.03986	1.0
172.13478	0.2
176.01071	0.6
190.97696	0.2
191.01938	0.9
191.03514	9.4
191.05600	4.2
191.07166	0.4
192.03964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01369	0.8
61.98818	0.4
65.99842	0.2
67.37379	0.2
70.70516	0.4
73.35813	0.2
87.92532	7.1
94.05453	0.2
100.89532	0.3
102.03510	0.6
103.92026	2.4
105.93587	1.1
115.92068	0.6
116.05059	0.6
116.92859	0.2
117.03457	0.3
118.02984	0.7
119.91450	0.2
123.94645	1.9
126.10062	0.3
127.07631	0.6
129.05588	1.2
144.04546	100.0
145.03000	0.5
145.04883	3.0
145.20995	0.2
145.45811	0.2
159.03236	0.9
170.88947	0.5
188.03506	5.0
189.01877	0.4
189.05556	0.3
189.07704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0718
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
57.52193	0.2
58.02967	0.5
58.83598	0.2
59.01370	0.8
61.98812	0.5
68.11125	0.3
68.11943	0.3
68.99820	0.9
70.63466	0.2
85.57442	0.2
87.92523	1.3
88.82011	0.3
96.00912	34.5
97.01694	11.8
103.91995	0.4
105.26014	0.3
105.93608	0.3
110.02457	0.3
112.51941	0.3
115.92030	0.3
117.03527	0.4
126.10078	1.0
130.04257	0.4
141.86813	2.3
143.05072	0.5
144.04538	0.6
145.06592	11.5
146.06058	0.7
147.04480	0.3
159.87874	0.5
160.04027	0.4
161.02449	0.4
170.06075	0.6
188.07159	100.0
189.07544	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03448	6.2
59.01355	1.2
67.01886	3.1
70.70595	1.4
71.01369	1.3
71.89040	0.4
72.99298	1.8
73.02947	2.7
83.01392	0.5
85.02950	39.5
86.03301	0.4
87.00877	39.4
99.00887	0.8
101.02436	0.9
111.00882	100.0
112.01214	1.9
112.98827	1.0
115.00414	1.0
117.01933	2.0
128.83740	0.4
129.01953	7.5
130.99886	0.7
133.01445	2.3
147.03026	0.9
154.99866	3.2
173.00902	4.7
191.01982	14.9
191.05621	0.9
193.67870	0.4
209.20418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.3
59.01382	0.9
67.01878	3.9
70.84427	0.6
70.84766	0.7
72.99295	2.1
73.02939	2.1
83.01360	0.6
85.02950	26.5
86.03307	0.4
87.00875	39.1
99.00906	0.6
101.02439	0.8
103.04005	0.5
103.33716	0.4
111.00882	100.0
112.01233	1.7
112.98833	0.9
117.01973	2.1
129.01953	6.4
130.99863	0.8
143.58360	0.4
147.02989	0.6
154.99878	2.4
170.77861	0.4
173.00911	6.1
191.01978	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	187.134
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03450	7.8
59.01386	2.0
61.98814	1.3
68.99804	0.5
69.03449	0.8
70.81518	0.3
71.01374	0.8
72.99302	0.3
73.02959	0.4
87.00863	0.3
87.92536	0.9
90.97150	0.6
96.99358	0.3
97.06604	1.4
99.00887	0.3
99.08147	0.4
103.92029	0.3
104.57011	0.2
105.01910	0.3
111.04623	0.4
111.08160	0.6
113.06087	1.0
115.00366	0.3
115.05500	0.3
115.92094	0.3
123.08183	0.6
123.94639	0.4
124.98743	0.3
125.02457	0.3
125.06104	0.6
125.09724	10.5
127.04012	0.5
127.11288	25.8
127.87384	0.6
128.11613	0.6
132.98158	0.4
141.86818	3.4
143.05025	0.9
143.07101	0.9
143.10770	0.7
144.04543	0.6
153.72937	0.3
159.04483	0.6
159.87904	0.7
168.88913	1.1
169.08629	0.3
169.12340	0.8
170.24631	0.3
186.89983	0.5
186.95639	0.6
187.04051	1.2
187.06102	1.2
187.09879	7.0
187.13396	100.0
188.03549	0.3
188.13756	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	187.905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92432	0.1
63.32751	0.1
65.96371	0.1
69.44502	0.8
69.44910	0.3
73.02964	0.2
78.95906	0.4
85.23741	0.1
87.92531	100.0
88.92571	0.7
89.92970	0.3
92.51501	0.1
99.00912	0.1
99.41206	0.2
101.02442	0.3
103.92030	32.9
104.92102	0.3
104.92788	2.1
105.93591	10.2
115.92008	0.2
117.03629	0.2
119.91533	1.8
123.94643	6.7
127.00387	0.3
149.92535	0.2
151.91246	0.2
159.94656	0.3
161.87096	0.2
175.85017	0.6
176.47481	0.1
177.86549	0.3
177.92049	1.2
186.86525	0.3
187.17747	0.2
189.00284	0.2
193.86078	0.6
195.87617	1.0
209.85544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
55.01878	1.3
58.02972	1.7
59.01377	7.6
59.24856	0.8
61.49181	0.7
67.01878	5.9
71.05022	1.8
71.50483	1.5
74.02473	0.9
81.03454	5.2
83.01377	2.0
83.05022	0.8
85.02991	0.8
85.49586	0.9
87.92533	47.5
88.98804	2.5
97.02946	1.6
97.06586	0.9
98.02459	1.3
99.00867	1.9
99.04519	42.5
100.07670	3.6
102.05608	13.3
103.92029	16.1
105.93594	6.3
110.31942	0.8
111.00886	2.3
112.64101	0.9
113.06046	0.7
114.05608	0.9
115.04019	10.1
123.94652	2.8
125.02448	100.0
125.09692	2.2
126.02797	2.0
126.05656	1.2
128.03537	14.3
142.05055	0.9
143.03505	11.4
144.06644	4.1
145.39197	0.8
146.04637	1.4
168.32268	0.7
170.04568	2.4
187.02481	17.9
187.06088	1.1
188.05656	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	186.9649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60707	0.6
59.01381	1.4
60.99307	13.1
67.01876	0.6
70.67090	1.9
71.01365	1.2
78.00128	0.6
78.95906	5.5
80.96318	1.3
81.03446	1.2
83.01405	0.7
87.92532	100.0
88.98805	93.0
96.96024	1.1
96.96969	2.2
98.02502	1.3
98.20146	1.2
98.97381	3.1
99.00879	0.7
99.04517	7.8
102.05667	0.8
103.92030	32.6
104.92806	2.3
105.93583	12.0
110.51049	0.7
115.02098	0.9
115.04024	1.4
119.91453	1.5
122.89435	1.7
123.94652	8.4
125.02446	18.0
125.09715	3.3
143.03505	2.1
177.92047	0.8
186.85408	1.1
186.99008	0.8
187.02472	3.0
187.06088	1.1
187.09744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	71.8
61.98833	6.2
69.11975	5.0
69.12402	2.6
69.99500	0.7
71.01378	1.4
71.05026	0.8
72.97401	0.9
90.47378	0.7
97.06576	2.1
98.19839	1.2
113.06089	1.6
114.98888	1.6
115.02500	5.1
117.00435	6.9
123.08152	1.4
125.06104	0.9
125.09724	17.2
141.86853	5.6
142.89381	3.0
143.01985	2.6
143.05013	0.8
143.07016	1.4
143.76642	0.8
144.99951	1.0
159.01497	100.0
159.04335	1.9
159.86090	0.8
159.87836	1.4
160.01646	3.9
168.88930	2.2
168.99774	0.8
169.08621	0.9
175.56706	0.8
186.88324	1.1
186.95418	1.1
187.00990	17.1
187.03949	1.6
187.06105	2.1
187.09760	9.6
187.13428	1.8
188.00385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1135
Annotation	8-Amino-7-oxononanoate
Peak:m/z	Relative Intensity
57.03452	3.4
58.02968	1.0
59.01381	2.6
66.03497	0.6
70.51498	0.6
70.82381	1.2
71.01385	1.1
73.02934	0.9
74.12421	0.5
79.95760	0.8
80.88902	0.5
83.01420	0.7
83.05031	1.0
85.06575	0.6
87.00877	0.5
87.04531	1.0
90.97121	0.9
95.05043	0.7
96.96992	0.6
97.06592	11.0
98.06944	0.7
99.00861	0.7
113.06095	1.2
115.05556	0.7
115.92030	0.7
116.77093	0.6
117.03455	0.6
123.08150	5.0
125.02509	0.8
125.09719	98.1
126.10065	1.9
141.09213	1.0
142.08702	0.8
142.12369	5.9
142.66145	0.5
159.04500	1.4
168.10356	3.6
168.88892	2.1
169.08643	2.7
186.01897	0.9
186.11339	100.0
187.01340	0.8
187.03952	1.6
187.06078	1.8
187.08228	0.8
187.09749	6.0
187.11664	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	Epomediol
Peak:m/z	Relative Intensity
57.03447	4.4
58.00567	0.8
59.01370	2.3
68.99820	0.7
69.03447	2.4
69.56976	3.5
71.01385	1.0
71.05017	0.8
73.02940	11.9
78.95911	6.3
79.01929	0.6
81.03434	0.7
83.01328	0.7
84.99314	0.7
85.02956	4.9
85.06594	0.8
87.00850	0.7
87.04509	1.3
92.02414	0.6
96.96963	7.4
97.02951	2.0
97.06590	2.5
98.06163	0.8
98.19906	1.2
98.20522	1.8
99.08159	1.0
99.92558	1.3
103.73267	0.7
109.06598	1.4
111.08175	0.9
112.98821	2.0
113.02396	0.6
113.06092	1.3
113.09698	1.1
116.41801	0.6
123.04565	0.7
123.08121	3.7
125.02459	1.0
125.09705	2.7
127.11313	0.7
131.44699	0.7
135.04539	1.3
137.09732	3.6
139.11299	1.4
140.89641	0.9
141.01920	0.9
141.05527	1.6
141.09225	15.8
141.12859	2.8
149.09734	0.7
155.10776	21.3
167.10780	13.9
185.06194	1.5
185.08287	11.3
185.11818	100.0
185.15361	1.9
186.12178	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	184.9856
Annotation	3-Phospho-D-glycerate
Peak:m/z	Relative Intensity
50.84042	0.3
57.03448	1.1
59.01374	1.2
60.93673	0.3
62.96437	0.3
64.01155	0.3
64.43555	0.3
64.98608	0.3
66.34500	0.3
68.99791	0.3
69.03455	0.9
71.01379	2.7
71.50456	0.4
72.41348	0.3
72.96323	0.3
72.99312	2.0
73.02974	0.4
75.00871	1.5
78.95905	93.0
83.01397	0.8
84.02141	0.5
85.02954	4.8
85.93002	29.5
87.00874	0.9
87.92529	1.8
89.02451	0.4
95.14154	0.3
96.96963	100.0
97.02933	1.0
97.06615	0.3
101.92491	9.3
102.93271	0.4
103.92040	2.2
103.94059	3.6
104.92783	0.7
111.00859	0.5
112.98812	0.6
113.02417	0.3
115.00416	0.4
115.92095	0.6
117.92008	0.9
119.27280	0.3
121.95129	3.8
123.91926	0.3
129.01947	0.4
133.01506	0.5
133.02942	2.8
134.03731	0.9
135.04532	11.0
136.04846	0.8
161.02438	6.6
166.97540	1.7
175.92604	0.5
179.03499	6.2
179.04976	0.4
180.03792	0.3
184.85924	0.9
184.89505	0.7
184.98573	11.1
185.89008	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	185.1182
Annotation	1,4-Epoxy-p-menthane-2,3-diol
Peak:m/z	Relative Intensity
57.03448	100.0
59.01378	4.1
68.99820	2.1
69.03436	7.7
71.51450	1.7
72.27321	1.6
78.95907	11.0
84.27412	1.3
85.02934	2.4
96.96964	14.2
97.02970	2.9
97.06575	2.6
98.20229	1.6
112.98774	3.0
113.02382	1.8
113.09801	1.9
118.26795	1.5
123.08143	3.3
125.09732	22.4
141.09239	15.7
155.10681	2.0
174.93329	1.4
185.05995	1.8
185.08171	6.2
185.11819	46.8
185.13477	2.4
185.15503	1.8
185.91206	1.4
186.12204	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	183.1026
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
55.73332	1.0
57.03450	100.0
58.03792	1.7
59.01376	5.0
65.03966	2.3
67.01874	2.8
68.99564	11.7
69.03446	8.3
69.32653	4.0
69.33080	4.1
69.96453	1.0
71.01372	4.9
71.05016	1.4
73.02929	1.4
79.95736	1.9
81.03453	3.3
83.01397	2.1
83.05029	3.4
85.02934	2.6
95.01379	3.7
95.05035	2.5
96.04567	1.1
97.06635	5.2
97.58208	1.1
98.20158	4.4
99.04510	2.6
99.08224	1.2
101.02451	1.4
111.00880	6.7
111.04500	1.3
111.08159	1.6
112.01691	1.3
112.04052	1.7
112.98565	15.5
113.02459	2.1
113.06091	5.2
121.06622	2.6
123.00890	1.1
123.08167	16.6
124.01662	3.6
124.98770	1.2
125.02474	1.4
125.06088	5.9
127.07650	5.1
136.98808	1.6
137.02461	1.4
137.09770	1.1
139.00363	3.3
139.04025	4.1
139.07684	5.3
139.11299	57.0
140.07152	2.4
140.11615	2.1
141.09213	17.7
152.98366	1.1
164.33530	1.0
164.98322	2.3
165.01871	2.7
165.09198	5.6
168.00621	6.2
183.02966	10.0
183.06709	3.3
183.10262	83.4
184.06190	2.6
184.10645	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	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
58.02994	0.8
59.01379	50.4
63.35429	0.8
69.03445	1.4
70.02959	2.5
70.98309	2.6
71.01377	12.7
78.95910	14.4
83.01339	1.0
84.04541	10.6
85.02934	1.1
91.48840	0.9
94.02981	4.9
95.05018	1.5
96.00951	1.4
96.04515	1.0
96.96964	15.3
97.01693	5.1
97.02904	0.8
97.06586	0.9
98.02467	2.4
98.06113	1.7
110.02479	2.3
112.04046	100.0
112.07680	1.8
112.98811	2.3
113.02466	4.2
113.04370	1.3
122.06123	8.2
123.04589	1.1
124.04040	71.9
125.04339	1.7
140.07175	37.9
141.05527	1.1
141.09200	1.7
161.02417	1.0
166.05095	7.4
184.06143	87.5
184.98616	1.4
185.06393	2.0
185.08125	1.0
185.11844	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	183.1026
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
57.03450	8.4
59.01365	5.7
59.98506	3.2
61.65899	1.5
62.22400	1.5
63.02385	5.2
65.00323	4.4
65.03956	3.3
67.01895	4.0
68.99556	13.5
69.03437	3.6
71.01390	1.8
71.05006	4.7
71.52898	2.9
77.29771	2.0
81.03456	4.3
83.01366	5.3
83.05024	8.5
85.02949	3.9
93.03448	2.5
95.01398	5.7
95.05035	3.6
97.02985	1.7
99.04512	9.7
99.18575	1.7
107.01398	4.6
108.76896	1.6
109.06624	1.7
111.00869	11.5
111.04500	4.3
112.04044	2.0
112.98556	20.2
121.06580	3.8
121.10209	3.6
122.39170	1.6
123.00864	2.9
124.01633	5.4
124.98801	2.2
125.06040	2.0
136.98795	2.6
137.09717	5.5
139.00356	4.5
139.04002	5.7
139.07654	6.3
139.11276	20.8
140.01173	2.4
140.07181	3.0
141.09209	1.8
151.00365	11.0
152.98291	3.7
164.98328	3.2
165.01913	5.3
165.09193	3.3
168.00653	11.8
169.01334	2.8
182.99242	3.5
183.00662	3.3
183.02965	20.3
183.06680	6.6
183.10246	100.0
183.13824	3.0
184.06079	5.1
184.10710	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	183.1027
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
55.01857	1.0
57.03447	100.0
59.01370	3.9
61.86982	0.9
61.98842	1.0
65.00343	1.1
65.03951	1.2
67.01888	3.6
68.78283	1.0
68.99559	6.4
69.03456	8.3
69.76563	1.0
70.89708	1.6
70.90043	1.4
71.01377	1.8
71.05014	2.1
71.06662	1.0
79.95735	2.1
81.03440	3.1
83.01395	1.3
83.05029	2.4
85.02985	1.3
85.06617	1.3
95.01377	2.3
95.05013	1.4
97.06606	2.8
111.00896	4.8
111.04529	1.8
111.08158	1.4
112.04048	1.3
112.98574	9.5
113.06108	5.2
121.06593	2.1
123.08176	11.0
124.01630	1.9
125.06078	3.1
127.07626	0.9
137.06029	1.3
139.00377	2.4
139.04034	2.5
139.07716	5.7
139.11284	59.0
139.99893	1.1
140.07172	1.3
140.11641	1.8
140.28256	1.1
141.09218	19.1
152.98299	1.6
165.02026	1.8
165.09167	4.6
168.00613	4.2
183.00658	1.3
183.01482	1.2
183.02972	7.2
183.10252	85.8
184.06178	2.0
184.10571	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	183.1026
Annotation	10-Oxo-8E-decenoic acid
Peak:m/z	Relative Intensity
56.56023	0.9
57.03438	2.3
59.01372	3.8
61.98832	1.2
65.03971	1.4
67.01891	2.9
68.99568	2.7
69.03456	4.2
71.01355	1.5
76.28322	1.0
83.01374	1.5
83.05018	2.9
85.02940	1.1
93.03435	0.9
95.01382	3.1
96.73412	0.9
96.92196	0.8
97.02966	1.4
98.02482	1.5
98.19828	1.3
101.02431	1.4
109.06607	2.3
111.00879	7.1
111.04513	2.2
111.08131	2.2
112.00375	1.1
112.04063	1.3
112.98571	5.5
116.92764	0.8
121.06531	1.6
123.00877	3.1
124.01629	2.8
124.04153	1.0
124.98788	1.5
125.06077	1.4
125.82858	1.0
127.07652	1.9
136.98788	1.2
137.02475	1.3
137.09698	2.7
139.00352	2.5
139.03999	2.4
139.07666	3.9
139.11288	16.9
140.01189	0.9
140.07147	1.5
152.88333	0.9
152.98294	1.7
153.00658	2.1
153.57962	0.9
155.09592	1.3
155.10782	17.2
164.98381	1.2
165.01871	2.4
165.05536	1.0
165.09213	3.3
168.00639	5.4
171.43808	0.9
183.00562	10.8
183.02974	9.8
183.06709	3.5
183.10251	100.0
183.13766	2.3
184.10492	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	183.0047
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
51.58230	0.2
53.24524	0.2
54.06374	0.3
57.67312	0.3
58.23081	0.3
59.01377	0.3
61.35173	0.3
61.98811	0.3
65.00335	0.4
67.01884	1.8
68.01414	0.5
68.99525	0.3
68.99844	0.5
69.03448	0.9
69.17414	2.9
77.15768	0.3
78.60039	0.3
79.01897	0.6
95.01388	9.0
97.02940	0.4
104.30425	0.3
109.01701	1.2
111.00901	0.6
112.98565	0.7
123.00888	19.1
125.01212	1.6
130.82808	0.3
137.01176	1.2
137.02090	0.3
139.04022	0.3
139.11249	0.7
153.00673	18.4
155.10837	0.3
165.77786	0.3
168.00609	0.4
179.04164	0.3
183.00467	100.0
183.10262	3.4
184.00833	2.0
191.14050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0459
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
55.01882	0.3
56.09838	0.3
59.01376	0.4
66.03186	0.3
66.03481	1.7
67.01891	0.9
69.03500	0.4
71.01379	0.6
71.50913	0.6
78.95914	0.8
79.95732	1.3
80.75050	0.4
80.96497	0.4
82.02982	0.4
83.05069	0.4
92.05058	3.9
93.03486	0.4
94.02997	4.3
95.01380	1.1
95.05020	0.6
96.00882	0.4
96.04604	0.5
96.96008	4.4
97.02944	0.4
103.92036	3.1
108.04556	48.1
109.04889	1.0
110.06138	0.8
111.00900	0.7
119.92606	0.4
120.04566	4.1
122.02473	1.4
123.00860	1.2
123.03253	1.2
124.01667	0.5
135.48361	0.3
136.04051	1.5
138.02019	5.1
138.05609	100.0
139.00403	0.6
139.05927	1.9
152.00751	0.4
152.03511	1.5
164.20769	0.3
167.03137	0.5
168.00598	0.7
181.85750	0.4
182.04565	31.0
183.03214	2.0
183.04849	0.7
183.06679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0142
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
52.54202	0.2
54.35558	0.2
59.01373	1.2
65.00332	0.3
65.03977	0.4
66.03550	0.2
69.03453	0.2
71.01377	0.6
71.51501	0.2
79.98238	0.2
81.03441	0.2
85.02967	0.2
89.02436	0.3
91.01891	0.2
93.03456	100.0
94.03791	2.1
95.01380	0.3
97.02966	0.2
99.07999	0.2
101.02409	0.3
104.42146	0.2
107.01395	0.2
109.02962	0.6
109.06625	0.2
123.00897	0.7
123.04527	0.9
135.04544	0.2
136.98831	0.3
137.02443	9.7
137.06091	0.6
137.09698	0.5
138.02791	0.2
138.05643	0.3
151.00365	1.5
153.01898	0.4
163.03996	0.2
166.02721	2.4
180.84218	0.4
181.01419	28.3
181.07109	0.4
181.08690	0.4
182.01723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0095
Annotation	Enaminomycin A
Peak:m/z	Relative Intensity
59.01366	0.4
60.07713	0.3
61.98821	0.5
66.03496	0.3
67.01882	0.3
67.81329	0.3
68.99576	2.0
70.71781	0.6
73.98041	0.3
83.01393	0.6
89.71202	0.3
94.02985	0.8
95.01366	1.2
96.00901	0.4
96.96006	0.9
108.02172	39.0
109.02473	0.6
111.00877	0.7
111.04536	0.3
111.08353	0.3
112.98557	2.5
121.06579	0.3
123.00890	2.0
124.04807	0.4
138.01968	100.0
138.09221	0.4
139.00404	0.6
139.02284	1.7
144.74065	0.3
152.00740	0.4
152.98268	0.3
164.98251	0.3
166.99860	1.2
167.03082	0.7
168.00652	0.6
181.91997	0.6
182.00941	25.5
182.04333	0.6
182.08150	4.1
182.99284	0.3
183.01352	0.7
183.03009	1.2
183.10239	0.6
194.22021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0667
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
59.01371	0.8
61.98825	0.3
65.00323	0.3
66.03494	0.3
66.91519	0.2
69.13757	2.0
71.01376	0.6
78.22673	0.2
87.00848	0.2
93.03447	0.5
94.02979	0.6
96.32325	0.2
99.92546	0.2
101.02494	0.2
107.03795	0.4
108.04573	0.3
108.08195	6.6
121.05338	6.6
122.02483	0.2
123.00887	0.3
124.04031	0.5
135.03267	1.2
136.04071	7.7
136.07677	100.0
137.04451	0.2
137.08047	1.8
150.01915	0.3
151.00380	0.4
152.03505	1.9
153.01884	0.2
153.04329	2.5
166.02748	0.4
180.03127	0.2
180.06664	4.7
180.84178	0.3
181.05042	0.5
181.07013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
56.47117	0.4
57.04216	0.4
59.01377	12.1
68.99812	0.9
69.03458	1.0
69.50266	0.8
69.50680	1.8
71.01379	10.3
72.99314	0.8
73.02924	0.7
75.33356	0.4
79.01895	0.8
81.17146	0.4
83.01411	0.6
85.02935	2.2
87.00879	8.7
89.02449	4.9
91.01907	3.7
91.02404	0.6
91.99283	0.4
92.02672	4.0
92.51941	0.5
95.01382	11.9
96.96012	0.7
97.02938	0.7
98.20627	0.8
99.00871	2.0
101.02426	2.2
107.01371	1.5
107.05001	1.1
107.06975	0.5
108.02170	55.7
109.02437	0.5
113.02467	1.1
117.01900	2.0
119.01385	1.5
119.03466	0.6
120.02174	1.2
121.02956	12.1
123.00902	2.0
123.04477	0.5
125.02436	1.3
135.04512	3.6
135.06424	1.2
136.01656	21.4
141.01883	0.6
151.00356	1.1
151.03990	11.4
151.05119	0.8
152.04311	0.6
159.02942	0.5
161.04547	4.9
164.01135	0.6
178.84348	0.7
179.03490	100.0
179.05501	5.9
180.03859	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	179.0347
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
58.00589	0.4
58.91150	0.3
59.01381	10.8
69.03458	0.4
69.55150	1.1
69.55563	1.0
70.90186	0.3
71.01382	10.0
72.73957	0.5
72.99308	0.4
73.02932	0.8
79.95733	0.6
83.01369	0.8
85.02944	1.9
87.00877	7.8
89.02444	4.9
91.05534	0.5
93.03478	0.4
95.01377	0.7
97.02967	0.7
98.20593	0.6
99.00887	2.3
101.02441	1.7
102.82960	0.4
106.04240	0.5
107.05036	1.8
108.02109	0.3
109.02946	0.5
112.11539	0.3
113.02444	0.9
117.01950	1.7
117.03448	0.6
119.03561	0.4
121.02959	1.3
123.04492	0.5
125.02468	0.9
133.03027	0.4
134.03734	6.0
135.04523	100.0
136.04865	2.5
141.01952	0.8
151.03992	0.5
159.03018	0.4
161.00900	0.4
161.04559	4.3
164.01176	0.6
164.04759	0.5
179.03511	20.5
179.05585	5.4
179.07027	0.4
180.03719	0.6
185.82138	0.4
189.69916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
55.01888	2.0
58.00587	4.5
59.01381	53.1
60.01704	1.7
64.62833	1.6
69.66020	1.7
71.01015	2.5
71.01384	43.9
71.24551	3.5
72.35059	1.6
72.99303	2.4
73.02946	6.0
77.03991	2.4
83.01394	4.2
85.02943	11.1
87.00346	2.1
87.00877	36.6
89.02444	21.5
90.98559	2.3
93.03445	5.4
95.01374	3.1
97.02936	3.6
99.00893	10.7
101.02438	6.8
105.03422	1.7
107.01389	3.6
107.05028	100.0
108.02170	3.7
108.05354	3.2
109.02950	2.5
113.02442	6.9
117.01920	9.2
121.02961	31.1
125.02467	3.8
133.02931	2.5
135.04523	48.1
135.08145	3.8
141.01988	2.9
147.00835	2.2
149.02428	2.2
151.00357	4.8
151.04015	7.9
159.02965	2.1
161.04550	23.2
164.01102	3.0
168.86259	1.5
178.84315	2.3
178.99846	4.7
179.03474	38.3
179.05579	31.6
179.07135	4.9
179.10677	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	179.035
Annotation	Aspirin
Peak:m/z	Relative Intensity
51.02040	0.4
57.03435	0.4
58.00605	0.8
59.01378	14.9
63.02421	0.4
69.03490	0.3
69.18033	0.8
69.18433	2.5
71.01384	13.4
72.99306	1.3
73.02945	1.3
83.01396	1.2
85.02940	3.3
87.00878	11.7
89.02439	7.0
89.02945	0.6
90.98602	6.2
91.05534	11.3
93.03455	0.4
94.02975	0.4
95.01399	1.0
96.96001	0.8
97.02977	0.9
98.20277	1.6
99.00880	3.3
101.02465	2.0
101.29172	0.3
107.01387	0.7
107.05025	1.9
108.02185	1.2
109.02974	0.6
113.02438	1.5
117.01920	1.8
119.05114	0.3
121.02975	2.5
123.04507	0.4
125.02454	1.1
134.03743	2.4
135.04524	100.0
136.04866	2.4
137.02419	0.5
137.24884	0.3
141.01942	0.8
148.43289	0.3
149.02434	0.4
150.05542	0.4
151.00360	0.8
151.03996	0.6
159.03015	0.3
161.04564	5.8
161.05873	0.4
161.09683	0.5
164.01131	0.9
164.04755	0.6
168.79427	0.3
178.84383	0.8
179.00116	2.0
179.03503	13.6
179.05608	8.2
179.07127	1.1
179.10779	0.8
180.03908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Aspirin
Peak:m/z	Relative Intensity
55.74436	0.4
57.03425	0.6
58.00575	0.5
59.01380	14.7
63.02398	10.6
65.00326	3.8
69.03456	0.7
70.26372	0.6
71.01382	12.8
72.99305	1.0
73.02945	1.6
73.23907	0.3
75.00870	0.7
81.03430	0.4
83.00922	0.4
83.01392	5.7
85.02958	2.8
87.00877	9.9
89.02446	7.1
89.03986	0.8
91.05540	1.0
93.03443	0.6
95.01375	0.9
96.96001	0.9
97.02950	1.0
99.00871	3.2
101.02420	2.2
106.04230	0.5
107.01392	11.6
107.05029	3.6
108.02213	0.8
109.02959	0.6
111.46661	0.3
113.02444	1.2
114.06635	0.3
117.01948	1.9
117.03445	1.6
117.84560	0.3
119.01416	0.4
121.02937	2.2
123.04527	0.5
125.02430	1.2
133.02972	0.6
134.03748	12.4
135.04527	100.0
136.03972	0.6
136.04851	2.9
137.02496	0.6
141.01947	1.0
150.05621	0.4
151.00371	24.7
151.03940	0.6
152.00703	1.0
159.02969	0.8
161.04546	7.3
164.01180	1.1
169.01413	4.9
177.04039	0.5
178.84442	1.0
178.99884	14.8
179.03514	18.6
179.05612	9.1
179.07115	1.3
179.10690	0.5
180.03760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.1
58.16681	0.4
59.01379	15.5
63.02396	26.7
65.00320	9.5
69.03462	0.8
69.04155	0.4
70.88599	1.1
71.01380	12.7
72.99311	1.0
73.02941	1.0
75.00874	0.8
83.01388	13.0
83.01889	0.7
85.02955	3.4
87.00871	12.5
89.02446	6.5
89.03947	0.8
91.05528	0.8
93.03442	0.8
95.01389	1.1
96.96082	0.6
97.02977	0.6
99.00880	3.2
101.02442	2.4
106.04251	0.5
107.01390	25.0
107.05021	3.0
109.02930	0.7
113.02454	1.8
117.01929	2.6
117.03464	1.3
119.01398	2.7
121.02962	2.2
123.00928	0.5
125.02460	2.4
133.03014	0.6
134.03734	11.8
135.04521	100.0
136.04868	1.9
141.01935	1.2
147.00816	0.8
149.67590	0.5
151.00362	61.0
152.00734	0.7
159.02959	0.7
161.04539	6.8
164.01151	1.5
169.01422	9.5
178.88351	0.5
178.99858	37.5
179.03488	21.8
179.05598	9.3
179.07031	0.7
179.10745	0.7
180.00227	0.8
180.03778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.8841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
58.00599	5.2
59.01381	100.0
69.75974	2.2
69.76385	3.7
71.01382	90.4
72.99307	6.3
73.02954	1.9
75.00871	12.0
75.92137	0.9
78.95898	3.3
83.01393	2.2
85.02946	8.6
87.00870	5.9
87.92524	1.3
88.75079	0.9
88.98814	1.5
89.02447	48.5
91.02293	0.8
95.01403	2.8
96.96014	85.8
97.40245	0.9
99.00887	2.3
101.02431	7.9
102.03629	0.9
103.00375	4.0
103.92036	27.4
104.92072	1.5
105.01940	12.7
106.89931	1.3
106.94872	5.7
107.05061	1.4
113.02470	6.1
119.03502	2.1
122.89433	52.5
124.91009	1.4
134.89409	4.6
135.04533	15.2
141.86853	0.9
143.86545	1.5
151.04015	1.2
151.63062	0.9
161.00919	2.5
161.04532	2.0
178.85861	3.2
178.88408	50.3
178.99905	1.2
179.02087	1.9
179.03563	4.0
179.05579	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	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93790	0.1
59.01381	3.8
60.44633	0.1
70.19517	0.2
70.19876	0.3
71.01389	0.3
79.95746	0.8
87.00880	0.2
95.95206	0.1
96.96014	100.0
97.95943	0.2
118.99308	0.9
119.93739	0.5
134.96100	25.2
135.96140	1.0
136.94017	44.9
137.94087	2.1
138.94432	0.2
151.92729	6.6
152.92790	0.4
161.04500	0.1
178.95067	36.3
179.01367	0.5
179.05624	0.3
179.95175	1.5
196.95993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09671	0.1
59.01400	0.1
59.31490	0.1
60.78741	0.1
68.82484	0.1
70.41776	0.3
78.95877	0.7
79.95740	0.9
87.00850	0.3
96.96011	100.0
97.95964	0.2
102.40181	0.2
118.24184	0.1
122.79156	0.1
134.96089	7.6
135.96165	0.4
136.94011	12.5
137.94067	0.4
151.92715	1.9
152.92706	0.2
178.95058	9.2
179.05511	0.2
179.95166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
57.03436	0.7
59.01387	3.0
68.99815	1.1
71.01389	2.9
71.21740	0.5
71.22078	0.4
72.99307	0.8
73.02966	0.6
82.97112	0.4
85.02959	1.1
85.06592	20.2
87.00878	100.0
87.04516	6.2
88.01217	1.2
99.00860	0.4
101.02429	0.5
113.06091	16.2
115.00388	0.9
115.04003	1.3
119.05015	2.5
129.03506	0.5
129.05592	2.0
131.03461	0.5
131.05080	0.7
131.07127	1.5
146.03790	1.0
147.04530	3.8
157.05058	1.7
160.01755	0.4
161.02448	0.6
163.79004	0.4
173.02527	0.5
174.03195	0.8
174.88985	4.2
174.98792	0.6
175.04002	4.4
175.06119	34.7
176.06377	0.7
194.79253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03431	0.9
59.01377	5.9
60.39061	0.4
64.36082	0.4
68.99799	1.0
69.77805	2.3
71.01366	1.0
73.02965	0.5
85.02925	0.7
85.06586	41.4
87.00870	0.9
87.04511	2.0
87.06624	0.5
93.63286	0.5
113.06086	40.0
114.06420	0.9
115.04008	100.0
116.04347	1.5
129.05592	1.8
129.09213	1.6
131.07135	7.7
134.02766	0.5
147.04579	0.7
157.05048	10.6
164.65025	0.4
174.89001	3.4
175.06110	58.8
175.09689	1.4
176.06485	1.6
183.57430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Daphnetin
Peak:m/z	Relative Intensity
56.89013	0.2
57.03442	0.2
59.01378	9.7
68.99796	0.3
70.46944	0.7
71.01390	1.0
75.00875	0.3
75.08332	0.2
77.03955	1.4
78.95919	0.4
81.03448	1.8
83.33842	0.2
85.02931	0.3
86.34534	0.2
87.00887	0.3
89.02465	0.4
89.03967	7.4
90.04286	0.3
93.03457	1.8
95.05021	1.8
99.00881	0.5
105.03461	13.4
105.51575	0.2
106.03744	0.3
107.01395	0.9
109.02946	0.6
115.00370	0.3
121.02961	1.3
123.04540	0.5
124.85982	0.2
129.01962	0.5
133.02956	30.4
133.06612	0.5
134.03349	0.6
139.04013	0.5
144.08746	0.2
149.02429	4.3
149.06104	0.3
162.03227	2.5
168.01416	0.2
177.01924	100.0
178.02258	2.2
179.20927	0.3
192.94055	0.2
197.78839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00310	2.9
55.01881	6.3
57.03453	5.8
59.01375	9.5
67.01888	6.1
68.99809	3.9
69.15783	0.9
70.33744	1.8
70.98336	0.9
71.01380	100.0
72.99305	4.8
73.02949	8.8
75.20222	0.8
80.99825	2.2
82.26953	0.9
83.01379	13.0
85.02953	13.8
87.00868	7.3
93.03466	4.2
96.96014	4.5
96.99310	3.4
99.00875	32.5
101.02444	1.8
111.00880	67.3
111.04522	2.0
112.01219	1.3
112.98807	75.6
115.00344	5.6
124.98799	23.1
129.01926	3.6
137.02426	1.1
140.98296	1.7
142.99860	74.1
144.00130	1.2
145.01540	0.8
148.42056	1.0
154.99886	1.3
173.00916	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	173.1183
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
57.03455	2.0
58.00600	0.4
59.01379	2.8
60.99299	1.4
61.98831	4.2
65.03964	0.4
67.01521	0.5
67.01887	9.0
67.58006	0.3
68.37595	0.4
68.99811	0.3
69.03451	2.2
71.01384	4.7
71.22298	0.7
72.99303	2.5
73.02943	5.5
75.00864	0.7
77.32647	0.3
81.03469	1.3
82.71561	0.3
83.01385	1.2
83.05016	4.0
84.91167	0.3
85.02952	3.2
85.06567	0.6
85.46099	0.3
87.00831	0.8
87.04519	0.8
88.98802	1.2
93.03458	34.4
94.03793	1.3
95.05041	0.4
96.96024	0.3
97.02909	0.9
97.06574	1.5
98.06931	0.5
99.00884	2.8
99.04483	1.8
99.08184	0.3
99.08863	0.4
99.92583	2.8
100.92599	2.8
101.02438	0.6
101.03600	0.4
101.92381	0.5
101.98095	1.4
109.02946	0.9
109.06576	0.5
111.00883	3.3
111.04518	9.3
111.08155	7.0
112.04775	0.3
112.08504	0.3
112.98814	0.6
113.02448	1.1
115.00354	0.5
115.04047	0.7
115.92095	0.6
123.00867	0.5
125.02390	0.5
125.42814	0.3
127.11288	9.7
128.11661	0.5
129.01936	1.2
129.05547	0.6
129.09230	1.2
130.06595	0.8
131.07137	0.5
137.02451	3.3
140.01189	0.6
141.01920	0.4
141.05556	0.5
142.99890	0.5
143.03467	0.7
145.01497	0.3
145.02980	1.6
146.02443	0.4
146.06216	0.4
154.94742	0.9
155.00002	0.5
155.03479	1.9
155.10741	1.8
158.26015	0.3
171.10304	1.0
172.83080	0.7
172.91212	0.8
173.00983	0.7
173.02438	1.3
173.04547	6.0
173.08217	3.8
173.11823	100.0
174.05585	0.8
174.12151	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	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
51.15846	0.4
54.02747	0.4
55.01870	0.6
57.03455	4.5
58.02982	1.0
59.01370	1.4
62.66845	0.4
65.07457	0.4
67.01888	9.6
70.84623	0.9
71.01380	6.8
72.99313	1.1
73.02942	0.8
80.99870	0.5
83.01398	1.2
85.02948	69.1
86.03300	0.7
86.11649	0.4
87.00858	0.7
93.03444	0.8
96.99309	0.7
99.00884	2.4
100.07699	1.6
101.02445	0.9
103.92056	0.5
111.00878	100.0
111.04486	1.1
112.01235	1.6
112.98807	8.1
115.00409	0.7
124.98813	3.3
128.07156	1.7
129.00961	0.7
129.01944	13.2
136.08812	0.5
140.98343	0.8
142.98732	0.8
142.99852	16.4
155.71898	0.5
170.72128	0.4
173.00945	2.1
173.04543	0.5
173.06522	0.4
174.07738	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	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
56.67872	0.2
57.03452	5.1
58.02970	0.2
59.01380	2.9
60.99321	0.4
61.98826	0.3
65.03973	0.2
67.01891	8.9
68.99828	0.4
69.03457	0.2
70.69553	0.4
71.01383	5.1
71.05032	0.4
72.39561	0.2
72.99310	2.2
73.02953	2.0
81.03446	0.3
83.01385	1.9
83.05025	1.3
85.02952	8.1
85.06588	0.3
87.00873	1.1
93.03459	5.8
96.96004	0.7
96.99300	0.2
99.00893	2.0
99.04515	0.8
99.92574	0.9
100.07690	0.3
101.02460	1.3
111.00883	100.0
111.04499	3.3
111.08138	0.8
112.01211	1.6
112.98819	3.0
113.02448	0.3
115.00382	0.3
124.26312	0.2
124.98808	0.8
128.07182	0.7
129.01941	1.5
129.05579	1.6
134.81329	0.2
137.02499	0.4
142.99867	3.0
154.99875	2.8
155.03465	1.1
157.12207	0.2
173.00909	1.9
173.04585	2.0
173.08244	0.5
174.07671	0.3
189.59439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03198	0.2
57.03466	0.6
58.02985	1.3
59.01404	0.5
60.83944	0.2
67.01891	1.0
68.99844	0.3
69.03478	0.5
69.86098	0.7
71.01379	1.2
72.99341	0.7
73.02950	1.2
75.00867	0.4
82.06649	0.4
83.01418	0.7
83.05062	0.6
85.02972	0.8
93.03459	5.6
99.00896	0.6
99.04533	0.5
99.92573	1.2
101.02495	0.2
109.02990	0.2
111.00874	3.0
111.04514	1.4
111.08177	0.7
112.03999	0.3
112.98820	0.2
116.05055	0.7
116.44162	0.2
128.08058	0.3
128.10817	2.6
129.01930	0.8
129.09245	0.2
130.08737	100.0
131.09090	1.6
137.02412	0.6
144.04559	3.1
145.02971	0.3
155.03528	0.3
171.23186	0.2
171.90985	0.4
172.04016	0.7
172.09766	15.4
173.02399	0.2
173.04594	1.3
173.08205	1.1
173.10159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03470	0.7
58.02976	1.7
59.01408	0.3
67.01897	1.0
69.03486	0.3
69.44386	1.1
71.01406	0.9
72.00174	0.2
72.99330	0.5
73.02971	0.6
75.00885	0.2
82.06630	0.4
83.01415	0.6
83.05042	0.4
85.02980	0.6
89.85654	0.2
93.03451	3.5
99.00891	0.5
99.04544	0.3
99.92615	0.5
111.00895	1.9
111.04548	0.8
111.08170	0.4
112.04042	0.3
116.05041	0.4
128.08009	0.2
128.10805	2.3
129.01949	0.4
130.08734	100.0
131.09084	2.0
137.02435	0.5
144.04530	1.7
155.03439	0.2
172.04048	0.5
172.09755	14.6
173.04529	0.7
173.08160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
55.01878	1.2
57.03448	0.9
59.01381	5.1
61.98843	0.6
65.00317	0.7
67.01878	0.5
68.99795	0.6
69.03452	1.1
71.01405	2.2
71.05018	0.7
71.51594	0.8
78.95914	1.9
81.03450	0.6
83.01396	0.8
83.05042	1.6
85.02919	0.6
88.98814	1.6
95.01365	0.5
95.05025	3.8
95.96561	0.4
97.06571	0.8
99.00877	2.0
99.04522	1.3
99.92583	6.8
109.02917	0.8
109.06595	8.5
111.00889	1.5
115.92046	0.8
125.09708	2.8
127.00357	0.6
127.07653	100.0
127.11306	2.1
128.07939	2.3
130.08745	2.1
139.00368	0.8
139.04080	0.4
141.01917	1.2
144.04556	1.6
152.98259	0.7
153.05586	1.0
153.09196	1.5
170.83289	1.3
171.01952	5.6
171.06662	8.3
171.10266	57.5
171.13823	3.3
171.91055	1.8
172.03955	0.7
172.10599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
50.17581	0.4
53.09045	0.4
57.03452	3.3
59.01376	7.6
61.98818	0.3
66.82614	0.4
69.03458	2.0
71.51590	0.5
83.05037	0.5
88.98787	0.9
98.20213	0.4
98.22802	0.4
99.00869	0.7
99.08140	0.5
99.92587	7.8
108.38287	0.3
109.06583	2.3
111.08159	38.6
112.08500	0.8
115.92069	1.0
125.09708	0.6
127.07659	2.6
127.11288	11.4
153.09210	49.5
154.09564	1.7
170.83282	0.6
171.01952	1.7
171.10265	100.0
171.91071	2.4
172.10587	3.1
174.01926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0869
Annotation	Aspinonediol
Peak:m/z	Relative Intensity
57.03439	1.3
59.01377	1.8
68.99811	3.0
69.03459	2.9
69.44431	5.3
70.30442	1.0
71.01388	7.0
72.02167	13.1
77.56885	1.0
81.03458	2.7
83.01357	1.0
84.02176	5.3
95.05048	1.7
97.02946	3.6
97.06592	32.2
97.93144	2.4
99.00883	38.3
107.05029	8.2
108.05398	1.0
110.03727	0.9
123.08183	5.5
125.02446	39.4
125.06084	100.0
125.09734	3.7
125.99590	1.2
126.02827	1.3
126.06426	2.2
141.09213	12.1
151.00342	2.3
151.04124	1.3
151.07658	4.0
153.99074	2.9
168.83615	2.8
168.99002	11.8
169.01421	17.3
169.05096	1.3
169.08691	11.3
169.91589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1233
Annotation	6-exo-hydroxycineole
Peak:m/z	Relative Intensity
53.62856	0.9
57.03436	1.4
65.00321	1.8
68.99823	2.6
69.03469	5.8
71.01368	2.0
72.02148	1.3
81.03455	3.0
83.01381	1.9
83.05029	1.6
84.56448	1.0
85.02940	1.3
87.00844	1.8
87.15151	1.1
88.21648	1.0
91.31996	1.0
95.01360	1.1
95.05010	1.0
97.02956	7.0
97.06578	7.1
98.02478	1.6
99.00866	7.0
105.59267	0.9
107.05038	2.4
125.02444	89.9
125.06075	16.4
125.09718	4.9
125.99564	2.7
126.02779	2.9
126.05630	1.6
127.05000	1.2
134.86545	3.2
141.09232	1.4
147.85858	1.2
151.00362	2.6
151.11270	1.7
153.99118	3.9
168.83627	4.3
168.99048	11.3
169.01413	35.0
169.05148	2.2
169.08665	3.7
169.12329	100.0
170.01831	1.2
170.04533	1.7
170.08188	1.2
170.12636	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	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41126	0.3
58.02975	100.0
59.03315	0.8
64.68665	0.3
66.03470	0.6
68.99843	0.3
69.03474	0.4
70.02991	0.7
71.01391	0.3
81.03484	0.5
83.05039	0.5
90.24055	0.3
91.17461	0.3
97.02975	0.8
97.06581	0.4
103.85886	0.3
123.03730	0.3
124.04031	0.8
125.02445	7.6
125.06073	0.7
125.09702	0.4
125.99532	0.3
137.35056	0.4
153.01582	0.5
168.13916	11.2
168.83621	0.6
168.98915	1.2
169.01416	3.8
169.12259	0.7
181.24678	0.3
182.37648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.2
59.01385	1.5
65.00328	1.5
68.99809	2.2
69.03453	3.6
70.74698	2.6
71.01370	8.3
72.02160	13.0
73.02950	1.4
81.03452	3.4
83.01377	1.8
83.04996	1.2
84.02162	6.4
85.02960	1.3
87.00884	2.3
95.01368	1.7
95.05018	1.9
97.02972	9.1
97.06588	36.0
97.93128	4.5
98.02462	1.6
98.06927	1.2
98.35953	1.2
99.00883	37.6
107.05027	6.7
109.02962	2.9
110.03734	1.1
113.79237	1.0
122.89450	2.0
123.04498	1.2
123.08150	5.5
124.01768	1.3
125.02450	74.6
125.06087	100.0
125.09704	8.7
125.99570	2.2
126.02758	2.4
126.06423	3.2
141.09213	14.2
149.20729	1.4
151.00348	2.7
151.04077	1.3
151.07664	2.6
153.99077	3.7
168.83638	5.5
168.98994	24.5
169.01443	30.9
169.05064	4.6
169.06384	1.7
169.08716	16.8
169.12338	44.3
170.12712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
53.65737	0.3
67.23080	0.3
69.65815	0.3
70.28536	0.9
77.03951	0.3
93.03474	0.4
121.02952	100.0
122.03277	2.4
165.01929	11.7
165.09059	0.3
182.61331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
58.87854	0.5
62.70123	0.4
69.19939	1.5
69.20363	2.2
77.03964	1.3
77.74609	0.4
93.03463	1.3
121.02954	100.0
122.03238	2.1
133.50032	0.4
165.01926	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	165.0557
Annotation	Caffeyl alcohol
Peak:m/z	Relative Intensity
52.08376	0.4
59.01371	1.5
61.98822	1.1
66.03477	0.7
68.99831	0.8
70.77459	1.0
71.01390	2.0
72.99303	1.0
75.00907	0.4
77.03966	3.6
80.02691	0.5
80.05049	0.5
81.03448	1.1
83.01379	0.6
85.02988	0.6
87.00850	0.7
89.02431	0.7
91.01920	1.0
92.99809	0.5
93.03464	5.3
93.07093	0.5
94.02966	0.4
97.06602	1.3
98.20100	0.6
105.01942	0.7
107.05003	2.6
108.02165	0.9
108.04494	0.6
109.02966	2.8
109.06617	2.3
119.05019	2.7
120.05405	0.5
121.02958	100.0
121.06597	1.5
122.03779	20.4
122.06080	0.8
123.04553	6.2
135.04523	2.6
136.05299	37.2
137.02463	4.2
137.06117	8.9
138.05627	1.0
147.04549	4.4
149.00963	1.6
150.03230	12.7
151.03978	2.8
154.02702	0.6
164.04820	0.7
164.83745	2.2
164.89581	3.0
165.01927	15.4
165.04207	1.8
165.05560	41.4
165.07710	1.2
165.09212	1.5
165.12842	5.4
166.04939	1.1
166.06145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	5-(3-Pyridyl)-2-hydroxytetrahydrofuran
Peak:m/z	Relative Intensity
58.73393	0.1
61.98835	0.2
66.98383	0.1
69.51717	0.1
72.00909	0.2
72.99305	0.2
77.03976	0.7
80.05064	2.9
92.05050	0.3
93.03471	0.8
96.04543	0.4
98.20419	1.0
108.02177	0.2
108.04551	0.2
108.08190	1.7
109.02950	0.3
115.92042	0.2
117.91882	1.3
119.05033	0.8
120.04549	1.2
120.05354	6.3
121.02963	13.3
121.05345	3.5
121.06602	0.2
122.03744	0.2
123.04549	0.3
124.04044	0.4
134.06116	0.2
135.03299	0.4
135.04593	0.2
136.04059	2.0
136.07687	15.0
137.02428	0.5
137.04843	1.9
137.08018	0.5
147.04530	0.9
149.04831	5.5
150.02023	0.2
150.03249	0.4
150.05093	0.2
152.03534	0.6
153.04327	1.5
163.02972	0.2
164.03499	3.4
164.07167	100.0
164.83723	0.5
164.89575	0.5
165.01947	1.9
165.04239	0.3
165.05562	0.7
165.07527	4.2
181.03809	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	165.0193
Annotation	4-Hydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
52.24205	0.1
59.01365	0.2
60.26331	0.1
63.89907	0.1
64.14002	0.1
65.03951	0.1
66.81045	0.1
69.92037	0.4
71.01361	0.1
72.40087	0.1
72.99306	0.1
75.00877	0.3
79.95676	0.1
87.00882	1.9
88.98796	0.2
91.01901	0.1
92.02679	0.1
92.81446	0.1
93.03458	100.0
94.03790	2.1
95.01454	0.1
98.20001	0.2
98.20608	0.2
99.00899	0.2
99.71564	0.1
101.02433	0.1
105.01936	1.5
108.02182	0.6
109.02972	0.2
117.01967	0.1
119.01395	0.1
121.02956	10.8
122.02493	0.1
122.03314	0.3
123.04440	0.1
137.02432	1.8
147.03018	0.2
150.03279	0.2
164.88461	0.1
164.89577	0.5
165.01949	1.6
165.04036	1.2
165.05516	0.2
177.39597	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	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
72.00909	34.8
91.05551	2.3
93.03487	0.8
103.05529	6.8
119.05020	1.8
121.02969	2.2
147.04517	100.0
148.04858	3.5
159.37044	0.5
164.07161	50.4
165.07501	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
69.68365	2.3
72.00909	40.4
73.01234	0.5
76.82730	0.4
77.03969	1.2
79.95752	0.7
82.78951	0.4
91.05540	1.9
92.05888	0.5
93.03461	1.5
96.96026	0.9
98.20398	1.3
103.05540	4.4
109.02957	0.5
109.25654	0.5
118.06630	0.5
119.05027	4.4
120.04579	0.9
120.05364	14.5
121.02959	36.3
123.04474	0.6
133.31783	0.4
137.02457	1.1
141.86934	0.4
146.06100	0.7
147.04523	100.0
148.04851	3.8
150.03212	0.9
154.69017	0.5
164.04372	1.5
164.07164	52.6
164.89656	0.5
165.01941	5.2
165.05525	0.9
165.07584	2.1
165.08939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.082
Annotation	Oleandrose
Peak:m/z	Relative Intensity
51.08628	0.8
54.32143	0.8
55.01873	1.8
57.03441	6.3
57.45453	0.8
58.00587	2.2
59.01377	35.9
61.26679	0.9
69.03442	3.5
69.21591	7.1
71.01382	34.7
71.05017	23.7
72.01702	1.0
72.99304	3.3
73.02946	28.7
75.00868	2.3
81.03455	5.6
83.01383	7.7
85.02951	35.1
87.00869	5.8
87.04514	17.6
89.02448	7.8
96.60323	0.9
97.02958	3.2
99.00817	1.0
99.04516	75.9
100.04830	1.6
101.02432	6.1
103.03996	1.1
112.16196	0.8
113.02468	8.4
115.04011	50.3
115.07633	9.6
115.92072	2.6
117.03435	1.0
117.05576	30.0
131.03499	15.6
133.02959	11.0
160.89308	2.9
161.02461	13.8
161.04567	16.2
161.08188	100.0
161.89445	1.2
162.01964	1.1
162.08545	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	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
53.90339	1.2
60.45835	1.3
61.98818	5.8
70.79184	1.5
70.81081	3.8
81.70520	1.5
89.99580	1.2
98.55032	1.5
101.02540	1.5
116.92094	22.9
117.91883	2.2
118.99247	9.3
119.05029	100.0
120.05366	4.6
150.24724	1.5
162.91461	3.3
163.00375	4.4
163.04022	7.8
163.11288	99.2
164.11659	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	164.0717
Annotation	phenylalanine
Peak:m/z	Relative Intensity
50.26797	0.3
59.01377	0.5
61.98823	0.5
69.32677	0.8
69.33088	1.8
72.00909	36.6
75.00904	0.4
77.03977	1.7
85.02979	0.5
87.00873	0.7
91.01872	0.4
91.05515	1.8
92.05050	0.9
92.99822	0.6
93.03469	2.0
94.02973	0.5
103.05513	3.7
107.05038	0.5
108.04553	0.9
109.02960	0.7
118.06648	0.9
119.05037	4.7
120.04554	1.8
120.05349	20.1
121.02954	43.0
122.03762	0.5
123.04540	0.8
123.82172	0.4
135.04482	0.8
136.04044	0.7
137.02426	1.2
146.06116	0.8
147.04517	100.0
148.04874	3.4
149.02379	0.5
150.03227	1.5
164.04520	2.6
164.07156	55.9
164.89566	1.0
165.01924	5.7
165.04123	0.7
165.05554	1.6
165.07503	2.4
165.09018	0.7
179.56325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
56.48857	0.1
57.03445	1.9
58.00578	0.3
59.01377	10.8
67.01917	0.2
69.03464	0.6
69.77406	0.4
69.77798	0.4
71.01378	7.4
71.05030	0.3
72.99311	0.9
73.02944	8.0
75.00869	0.9
77.03963	0.9
81.03453	1.6
83.01382	2.3
84.02171	0.3
85.02949	10.5
87.00875	1.7
87.04516	0.2
87.99102	0.2
89.02454	2.2
89.03956	1.0
90.36588	0.2
93.03464	0.2
95.01396	0.3
95.05016	0.3
97.02940	0.8
98.19933	0.2
99.00890	0.2
99.04517	1.3
101.02436	2.2
103.74176	0.2
104.02672	0.6
105.03465	2.0
110.81135	0.2
113.01693	0.3
113.02450	2.6
115.01940	1.2
115.04006	0.5
115.92058	0.8
117.03483	0.5
117.05566	0.3
123.04534	0.2
125.02470	0.4
129.01917	0.2
131.03508	4.1
132.02176	10.1
133.02956	100.0
134.03299	3.1
143.03459	0.2
159.04562	0.2
160.01634	0.7
160.89255	0.7
161.02438	74.7
161.04369	5.1
161.08176	1.7
161.89342	0.2
161.91379	0.2
162.02840	2.6
162.19554	0.2
164.43987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
52.71097	0.1
54.32847	0.1
54.70916	0.2
55.01855	0.2
57.03449	1.1
58.00603	0.2
59.01377	4.1
69.03463	0.3
69.77621	0.9
71.01373	3.0
72.99313	0.5
73.02943	3.2
75.00874	0.2
77.03963	1.0
81.03469	0.4
83.01396	0.9
85.02950	4.5
87.00890	0.7
89.02454	1.1
89.03944	0.9
95.05022	0.4
97.02956	0.4
99.04521	0.5
101.02439	1.3
104.02685	0.6
105.03461	2.9
111.38283	0.1
113.02470	1.3
115.01895	1.3
115.04025	0.2
115.92093	0.3
116.02209	0.2
117.03512	0.3
117.05544	0.2
123.04518	0.2
131.03497	2.3
132.02168	9.3
133.02951	100.0
134.03287	3.0
160.01682	0.4
160.89259	0.2
161.02432	74.6
161.04614	2.1
162.01624	0.2
162.02821	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	161.0241
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
55.01874	1.4
57.03448	3.7
58.00597	1.0
59.01376	18.5
69.03445	1.0
69.44518	0.9
69.44925	2.8
71.01382	16.7
71.05021	0.6
72.99309	2.1
73.02949	16.8
75.00877	2.1
77.03979	1.0
81.03457	3.0
83.01381	6.1
85.02949	24.5
87.00878	4.3
89.02441	4.8
89.03986	0.7
95.01398	1.1
97.02955	2.1
99.00879	1.4
99.04522	2.4
101.02442	5.7
105.03471	3.4
111.00893	0.5
113.02454	6.8
115.01912	1.3
115.04008	0.5
115.92068	1.9
117.03455	4.0
117.05495	0.5
125.02441	0.5
131.03496	10.1
132.02171	7.5
133.02956	81.6
134.03821	4.7
137.02461	1.6
139.03995	0.7
145.02951	0.7
150.03191	0.5
160.01642	3.0
160.89262	1.5
161.02438	100.0
161.04434	12.2
162.02933	3.8
163.51521	0.5
176.39430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0299
Annotation	2-Formylglutarate
Peak:m/z	Relative Intensity
50.26791	0.8
55.01632	0.8
55.01876	10.9
57.03447	27.6
58.00586	2.9
59.01373	4.4
59.05011	1.2
60.03706	0.6
61.98804	1.5
68.99831	1.3
69.03452	1.5
69.18317	4.5
69.18736	1.7
71.01009	1.0
71.01377	9.5
71.05009	1.2
72.99312	1.7
73.02945	5.3
75.00880	0.7
78.95871	0.7
83.01382	100.0
84.01727	2.1
85.02940	13.0
87.00878	2.5
87.04508	16.0
87.92527	1.9
97.02952	2.5
97.06590	2.0
98.19934	1.2
99.00883	7.3
101.02429	2.6
101.92484	0.8
103.92016	1.8
111.00880	2.0
113.02451	0.9
115.00338	0.9
115.04011	3.3
116.92870	1.8
127.00353	6.4
128.03503	1.6
129.01939	2.3
141.01839	0.8
158.89281	3.2
159.02989	7.7
159.06618	1.0
159.89372	6.0
162.13733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0299
Annotation	2-Formylglutarate
Peak:m/z	Relative Intensity
55.01662	0.7
55.01881	6.7
57.03449	23.7
58.00583	3.0
59.01372	1.0
59.05013	1.5
61.98811	0.6
69.03473	1.3
71.01381	4.5
71.07562	1.5
71.73454	0.7
73.02937	1.9
83.01386	100.0
84.01735	1.3
85.02945	11.8
87.04519	16.5
99.00883	3.6
111.00883	0.8
115.04015	0.7
127.00360	8.0
128.58810	0.7
142.18274	0.6
158.89317	1.2
159.02998	3.7
159.89322	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	158.036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10451	0.2
55.01873	0.2
57.03429	0.4
59.01379	0.9
69.03470	0.2
69.31469	1.2
71.01377	1.3
73.02945	1.1
73.43130	0.1
74.02469	0.2
75.00888	0.3
83.01357	0.4
85.02972	0.3
87.00878	0.6
95.05002	0.4
97.02958	0.2
97.06582	1.9
98.19949	0.3
99.00906	0.4
101.02434	0.6
111.00887	0.5
113.02463	0.4
115.03035	0.3
115.07641	0.9
116.07175	0.3
116.92863	0.5
117.59985	0.2
128.05048	0.2
129.01918	0.5
130.04160	0.2
158.03590	100.0
158.08189	1.1
158.89334	0.3
159.03050	0.6
159.04044	3.4
159.06609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
55.23324	0.4
57.03441	1.5
59.01374	8.2
63.79747	0.3
66.13094	0.5
67.01876	0.5
67.05520	0.4
68.99802	1.8
69.03452	1.2
69.73162	2.0
71.01382	4.0
71.05009	2.3
72.99292	0.4
75.00821	0.5
79.49785	0.4
81.03463	0.5
81.04158	0.4
83.01390	0.7
83.05032	0.6
84.99312	9.3
85.02950	1.9
85.06589	0.8
87.00864	1.7
92.74328	0.4
95.05003	1.9
97.06605	0.6
99.00867	3.6
100.01572	0.4
100.92596	0.6
101.02267	0.4
111.00893	0.9
111.08155	1.4
113.02460	1.0
113.06084	100.0
113.09707	1.3
114.06425	2.7
115.00349	2.1
115.05878	0.5
125.02445	3.3
127.00372	14.7
128.98286	1.3
130.06584	0.9
139.00356	0.6
139.07603	0.5
156.89470	4.4
156.97836	0.7
157.01421	2.1
157.05055	15.0
157.08698	10.6
157.12294	5.3
157.86340	0.4
158.03604	1.2
158.06137	0.7
158.08115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	60046-50-6
Peak:m/z	Relative Intensity
51.12367	0.4
53.22089	0.4
54.68456	0.4
55.01867	1.2
57.03445	1.1
59.01381	2.9
63.31162	0.4
67.01893	1.0
69.03467	1.2
69.88776	1.6
75.61405	0.4
81.03429	0.5
83.01389	6.0
83.05029	0.9
84.00909	1.2
84.04546	0.5
85.02969	1.0
88.95589	0.4
93.03489	0.8
95.01379	0.6
96.96011	1.7
98.03731	1.4
99.92601	3.3
109.02909	0.5
109.06596	8.0
111.00884	1.7
111.04514	1.3
111.08157	100.0
112.00359	0.6
112.04054	0.8
112.08495	4.9
113.02457	0.8
114.05592	2.0
125.09682	0.5
127.00365	1.0
127.11288	6.7
137.02383	0.9
137.09711	10.7
140.01158	2.3
154.99841	1.1
155.03519	1.5
155.10776	41.4
155.86555	3.9
156.06659	1.8
156.11099	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	155.0715
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01885	19.1
57.03446	27.7
58.00590	4.6
59.01373	21.0
59.98593	2.8
67.01890	13.4
69.03462	8.6
69.63799	9.4
69.64212	6.6
71.01387	4.6
72.99305	3.2
73.02898	2.8
78.95894	4.8
81.03458	5.2
83.01384	82.2
83.05018	9.6
84.00900	8.6
84.04522	4.1
85.02950	9.1
90.14455	2.9
93.03447	10.3
95.01387	6.1
96.96024	8.4
98.19995	6.2
99.92582	32.0
101.79422	3.5
109.02946	4.7
109.06586	7.6
111.00882	23.6
111.04536	19.1
111.08146	53.5
112.00444	4.1
112.04073	4.2
113.02469	5.0
114.05605	26.8
127.00383	11.6
137.02420	11.3
137.06088	3.4
140.01160	33.8
154.86861	11.2
154.99933	15.6
155.03581	22.2
155.07129	100.0
155.10727	9.0
155.86572	60.5
156.06631	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	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
65.00312	0.5
65.03971	0.3
66.03486	25.3
67.03825	0.7
69.03472	0.4
71.52685	0.3
80.96476	0.4
81.03455	1.2
83.01380	0.6
85.02940	0.6
85.42876	0.3
88.79509	0.3
97.02924	0.4
106.38808	0.3
107.05098	0.4
108.02174	5.8
108.04549	1.4
109.02955	19.8
109.06533	0.3
110.00088	2.0
110.02493	0.4
121.02974	0.6
122.03741	33.6
122.63055	0.3
123.00848	0.4
123.03989	0.8
123.04544	1.1
125.02435	1.3
134.03729	0.3
135.04532	0.8
137.02029	1.2
137.99620	1.9
138.94183	0.3
151.00415	0.4
151.87422	3.1
152.03531	100.0
152.06927	1.6
153.01952	10.1
153.03847	3.9
153.05067	0.3
153.05670	0.6
153.09293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
55.01862	0.8
58.12141	0.6
58.84118	0.7
60.52500	0.7
61.98838	1.2
62.63214	0.7
65.00317	1.1
66.03494	4.3
67.03820	1.7
68.99832	0.9
69.03436	1.8
71.05009	1.7
71.21857	1.3
81.03470	4.6
82.02973	1.6
83.01359	1.5
83.05033	1.1
85.02926	0.9
92.05049	1.0
95.01398	0.8
97.02939	1.7
97.06591	13.1
97.87005	0.6
99.08174	4.9
106.69043	0.7
107.05003	1.3
108.02175	29.9
109.02958	63.9
109.06596	2.2
110.00107	6.3
110.02584	0.9
110.03249	3.4
111.00914	1.0
118.90005	0.7
122.46741	0.8
123.04527	4.9
124.01715	1.1
124.04027	2.7
124.98772	0.8
125.01622	0.9
125.02427	5.1
135.04527	2.9
136.04034	1.6
137.09656	1.3
137.99615	8.6
138.03252	1.0
138.06856	1.3
138.99887	0.6
145.31564	0.6
151.00383	1.4
151.11266	1.3
153.01933	30.8
153.05502	3.5
153.09236	3.0
153.12845	49.5
153.86862	100.0
154.01320	1.1
154.02397	1.6
154.05103	2.2
154.13174	3.1
154.86847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03444	9.0
59.01384	24.7
61.98830	100.0
69.50359	16.0
71.01376	46.3
72.99302	8.0
75.00873	9.5
83.01389	3.3
84.99300	9.0
85.02961	11.5
87.00888	6.7
91.48708	3.0
93.03442	2.4
98.19927	5.5
99.00896	18.2
101.02420	3.7
101.06035	2.4
103.05518	8.8
117.44884	2.2
119.05022	6.6
128.98248	3.7
129.01918	8.3
147.02921	7.8
147.04500	50.2
147.06580	3.2
150.95078	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	147.0664
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
57.03448	20.6
59.01386	16.4
63.18063	2.0
69.61034	2.2
70.78674	4.9
70.79031	3.2
71.01385	26.9
72.99324	4.8
73.02946	9.4
75.00883	8.1
85.02951	100.0
86.03284	3.1
87.00854	6.4
89.02423	3.1
99.00899	13.4
101.02447	47.3
101.06075	13.1
103.04042	17.1
129.01935	8.0
147.03030	5.9
147.04659	5.1
147.06636	75.5
157.75136	2.8
158.72237	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	148.0769
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
59.01374	5.0
61.10402	2.0
69.82834	6.9
69.83230	3.8
71.01396	4.1
77.03920	2.5
87.00854	3.2
89.02444	11.2
93.03468	2.4
94.99314	8.2
102.03497	3.2
104.05019	4.7
104.97772	3.0
105.03371	3.3
116.05518	2.4
121.02934	16.1
130.06642	2.1
132.04547	7.5
139.69215	2.5
141.13223	2.1
148.04010	2.5
148.07686	100.0
148.08868	4.8
149.02467	9.4
149.04565	5.2
149.06079	8.3
149.08002	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	146.0461
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
57.45417	1.3
59.01372	7.6
60.99304	9.5
70.30805	5.0
71.01373	3.3
74.96185	59.3
75.00878	1.8
85.02935	4.6
88.98806	55.0
92.95462	2.6
92.95992	28.3
98.20570	1.8
102.05607	100.0
103.05930	2.4
110.32791	1.3
128.03531	40.6
129.01913	1.5
129.03873	2.5
146.04602	21.1
146.06459	1.9
146.93431	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	147.03
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
50.75874	1.5
53.44106	1.4
57.03448	21.9
58.34441	1.2
59.01377	10.1
62.49195	1.6
69.86471	5.1
71.01385	15.5
72.99311	5.4
73.30367	1.5
81.98514	1.5
84.29826	1.5
85.02949	64.4
86.03308	1.9
87.00876	100.0
88.01215	2.7
99.94442	1.5
101.02433	6.9
101.72657	1.5
103.04016	8.7
120.80347	1.2
129.01947	27.7
141.07028	1.4
147.01852	2.9
147.02989	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
51.68227	5.2
57.03444	15.7
59.01376	15.6
59.96681	5.3
60.22149	5.5
68.30059	4.9
69.47290	37.9
71.01386	100.0
72.99313	50.8
84.59335	5.9
85.02945	20.9
87.00871	14.1
98.20092	20.4
106.38884	5.7
129.01955	44.6
138.25188	5.4
163.96545	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
59.01367	0.7
69.70510	0.6
71.01370	0.7
71.51700	0.6
81.03478	0.6
83.01371	1.9
83.05014	1.9
97.06580	1.2
99.04533	0.8
99.08156	100.0
100.08488	3.3
101.06081	3.5
102.05608	1.7
117.03465	3.7
127.07648	2.7
128.03500	0.7
143.07095	1.7
145.02940	2.7
145.04962	2.8
145.08699	48.7
146.02478	6.7
146.09047	2.8
148.85031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69375	0.5
68.13448	0.6
69.82117	3.2
73.02943	1.4
74.52940	0.6
78.63906	0.5
83.01392	1.3
83.05016	1.8
85.02972	1.0
97.06606	2.1
97.44912	0.7
98.20006	1.3
98.20551	1.1
99.08157	100.0
100.08475	4.0
100.40259	0.6
101.06075	3.2
102.05610	2.1
115.92053	0.9
117.03455	1.3
118.02967	1.0
127.07648	1.1
128.03537	0.6
143.07095	1.2
145.02988	1.4
145.04930	12.9
145.08710	55.4
146.02478	6.5
146.09050	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	143.0715
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
54.86560	1.4
55.01878	1.8
57.03433	5.4
58.02962	1.4
59.01371	4.5
61.98810	4.1
68.99806	2.4
69.03460	8.1
71.01384	29.8
71.05008	3.8
71.51207	2.2
72.99313	51.9
73.02943	3.3
79.77481	1.4
81.03455	4.3
83.01375	2.2
83.05062	3.4
85.02959	21.8
87.00863	5.1
87.04522	2.1
87.92549	2.5
95.04982	2.5
97.02948	6.1
97.06589	47.7
98.06938	2.7
98.20338	1.5
99.00863	2.5
99.04502	5.9
99.08184	4.1
100.07698	1.4
101.02439	2.4
113.02460	2.8
115.04020	2.3
116.05036	1.7
125.02431	11.8
125.06088	100.0
126.06400	4.8
139.49051	1.4
142.99887	2.7
143.02530	2.3
143.03510	13.6
143.05397	1.9
143.07143	41.9
143.10773	9.2
144.03540	2.2
144.04565	29.7
144.06642	17.9
144.07614	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	143.0715
Annotation	SCHEMBL9008708
Peak:m/z	Relative Intensity
50.67371	0.8
55.01874	1.0
56.52753	0.8
57.03430	1.5
68.22956	0.8
69.03439	1.0
69.24714	5.6
69.25129	2.2
71.01398	4.6
72.99307	50.3
73.89295	0.9
85.02930	4.3
97.06590	45.6
98.06903	1.8
98.20437	3.6
99.08165	1.6
107.41351	0.9
125.02462	2.0
125.06084	100.0
126.06438	4.6
143.03542	1.7
143.07138	29.8
144.04565	4.5
144.06624	1.7
151.69965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	4.2
59.01391	1.2
68.34698	1.0
68.99806	1.1
70.90739	2.1
71.01385	13.3
80.99821	1.2
85.02959	0.9
87.00885	3.1
87.92532	100.0
88.19019	1.0
96.99305	6.0
99.69668	0.9
102.24718	0.9
103.92032	50.5
104.92836	2.9
105.93588	10.4
112.43249	0.8
112.98801	8.0
117.92819	0.9
119.91447	1.4
120.68163	0.9
123.31421	1.1
123.94636	6.4
124.98801	16.5
125.89937	1.2
125.99129	1.0
140.98318	3.9
142.99860	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57109	3.6
52.59679	3.2
53.00303	12.4
59.01364	4.6
59.79244	3.2
61.16068	3.1
69.63721	20.0
70.65156	3.2
71.01086	3.4
71.01390	42.0
80.99825	7.1
87.00868	6.3
87.92526	37.3
96.99309	14.0
98.20103	9.0
98.20651	3.8
103.92032	21.5
112.98827	24.1
124.98815	47.3
125.99155	5.0
129.59749	3.2
131.67856	3.5
140.98306	9.7
142.99863	100.0
144.00124	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	9.6
53.64053	1.8
62.18396	2.3
68.99812	2.3
69.20377	1.8
70.92770	3.8
71.01381	22.9
77.44787	2.0
79.95721	6.7
80.99842	2.9
82.02982	5.3
84.02057	1.8
86.24931	1.9
87.00848	5.7
87.92529	100.0
96.99284	13.3
103.92027	50.1
104.92778	2.8
105.93595	8.4
112.98827	13.8
123.94610	7.5
124.98795	30.1
139.04767	2.1
140.98288	5.4
142.99858	53.2
144.00220	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01883	0.5
63.68735	0.3
65.93492	0.3
65.99846	0.4
66.03487	0.7
67.01881	0.7
68.73835	0.2
69.48919	1.9
76.01324	0.2
78.92427	0.3
78.95887	0.6
83.01396	0.9
89.98323	0.3
92.58614	0.3
93.03447	0.7
94.02993	0.7
94.03790	1.6
94.98074	0.3
95.01391	0.5
95.05020	0.6
98.20206	1.1
100.92588	1.0
107.73106	0.2
108.02172	52.3
109.02485	2.0
111.00890	3.6
115.12427	0.3
123.03260	0.8
124.01652	0.3
136.00383	0.5
137.89183	16.0
138.01965	100.0
138.05489	1.4
138.88873	2.9
139.00410	2.4
139.02315	3.9
139.04015	0.9
154.01472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
67.01884	1.2
78.95925	1.1
93.03431	1.0
94.02975	1.2
94.03795	4.0
94.42862	0.8
94.98119	0.9
95.05035	3.7
95.23970	0.8
102.97354	1.1
108.02155	2.8
110.06136	1.0
111.00888	6.4
120.04534	1.3
122.24785	1.0
123.03263	75.8
124.03580	2.3
137.89166	4.3
138.01894	6.4
138.02806	4.3
138.05605	100.0
139.00319	4.7
139.04010	1.1
139.05986	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	142.051
Annotation	(+)-SQ 26517
Peak:m/z	Relative Intensity
53.00307	2.7
58.02974	14.7
68.99809	0.8
71.01382	4.4
71.05010	1.4
71.27214	1.4
73.75356	0.8
85.02953	1.0
85.93016	1.7
98.06124	12.7
100.04046	100.0
101.04378	2.2
103.92045	1.2
112.98797	2.6
123.90245	1.9
124.98784	4.3
141.91261	1.2
142.05098	10.2
142.99873	11.0
147.86482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01377	10.1
60.99299	0.9
61.98827	17.4
66.48763	0.7
68.08333	0.7
69.17479	0.7
69.62242	1.5
69.62640	4.1
70.61272	0.6
71.01382	5.2
72.99304	18.7
75.00870	100.0
76.01181	1.4
77.24991	0.7
78.95899	4.6
87.00878	7.1
89.02436	8.5
90.93590	1.3
95.95226	23.4
96.96972	5.5
117.01937	3.7
123.89581	0.7
134.89481	3.7
134.91606	71.2
135.02994	38.8
135.04573	2.8
136.03326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.1
60.99299	0.9
61.98827	17.4
66.48763	0.7
68.08333	0.7
69.17479	0.7
69.62242	1.5
69.62640	4.1
70.61272	0.6
71.01382	5.2
72.99304	18.7
75.00870	100.0
76.01181	1.4
77.24991	0.7
78.95899	4.6
87.00878	7.1
89.02436	8.5
90.93590	1.3
95.95226	23.4
96.96972	5.5
117.01937	3.7
123.89581	0.7
134.89481	3.7
134.91606	71.2
135.02994	38.8
135.04573	2.8
136.03326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
52.70995	0.6
62.21777	0.6
71.01383	50.6
72.01723	1.6
72.99311	11.9
79.11730	0.6
80.20271	0.6
85.71928	0.7
87.00885	1.9
89.02438	7.0
98.20078	0.9
102.49818	0.6
115.00375	100.0
116.00706	2.2
133.01433	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52925	1.1
57.03443	1.8
59.01373	3.3
60.44630	0.9
71.01382	100.0
71.17220	2.1
72.01730	2.5
72.99308	24.6
75.00869	3.4
78.66357	0.8
87.00875	33.8
87.04534	6.8
87.09938	0.9
89.02439	10.4
99.45232	1.1
107.03663	1.9
115.00374	69.4
116.00713	1.6
119.93546	0.9
132.96988	1.9
133.01421	19.5
133.05063	61.8
134.04645	5.9
134.05591	1.5
144.72168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
59.01361	3.1
69.96855	1.4
70.51035	3.9
71.01381	100.0
72.01721	1.5
72.99302	12.4
74.27685	1.2
78.59082	1.3
85.03004	1.7
87.00872	37.2
87.04527	7.6
87.98639	1.4
89.02440	11.2
90.24763	1.4
101.16323	1.3
108.21388	1.1
115.00372	78.9
116.00725	3.0
117.93327	1.3
128.16312	1.4
128.60855	1.3
133.01440	21.8
133.05063	49.6
139.85794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.1
69.96855	1.4
70.51035	3.9
71.01381	100.0
72.01721	1.5
72.99302	12.4
74.27685	1.2
78.59082	1.3
85.03004	1.7
87.00872	37.2
87.04527	7.6
87.98639	1.4
89.02440	11.2
90.24763	1.4
101.16323	1.3
108.21388	1.1
115.00372	78.9
116.00725	3.0
117.93327	1.3
128.16312	1.4
128.60855	1.3
133.01440	21.8
133.05063	49.6
139.85794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	2-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
54.02293	0.9
57.03439	3.9
59.01380	5.4
65.12479	1.0
68.99812	4.4
69.03462	1.7
70.27630	2.0
70.27995	2.3
71.01380	19.6
72.01703	1.0
72.99298	1.2
73.02946	33.1
74.03288	1.4
75.00873	2.5
77.44837	1.0
80.21766	1.0
85.02953	9.3
85.06589	100.0
86.06944	3.2
87.00851	1.4
87.04513	34.7
87.65312	1.1
88.04035	2.2
88.04849	1.3
99.00880	6.4
101.02431	2.8
113.02463	5.3
129.05597	2.6
131.03519	10.5
131.07141	62.5
132.05661	3.1
132.07483	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	133.0144
Annotation	Malate
Peak:m/z	Relative Intensity
50.22246	0.8
51.75921	0.8
52.32599	0.8
59.01374	3.7
70.98631	1.1
71.01380	100.0
72.01710	2.7
72.99309	13.8
74.43572	0.9
87.00877	24.7
87.04518	5.3
89.02444	11.1
95.23539	1.0
115.00374	92.2
116.00714	3.0
133.01428	27.0
133.02425	1.6
133.05067	38.0
134.04613	1.0
147.94255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	51.5
71.07687	1.9
72.99306	13.0
74.49601	0.9
89.02433	6.6
98.20278	1.5
98.57809	1.0
113.54269	1.0
115.00377	100.0
116.00713	3.2
133.01437	27.5
146.14494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
55.01865	17.9
57.03439	33.6
62.26705	7.9
67.01899	12.4
68.99822	11.8
71.01388	53.0
71.51073	12.0
76.35113	7.7
83.05006	8.0
85.02946	100.0
85.06557	11.0
85.77823	8.2
87.00837	10.5
101.02438	37.2
111.04502	10.2
128.90172	57.0
129.01929	79.1
129.05571	58.9
130.08774	45.9
130.76633	9.1
136.58162	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	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.58638	0.7
69.71624	2.5
69.72034	1.8
71.01390	1.3
73.02937	2.3
84.08189	0.9
85.02972	1.0
87.04524	2.9
88.04049	10.6
130.08736	100.0
131.09102	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	130.0874
Annotation	beta-Alaninebetaine
Peak:m/z	Relative Intensity
57.02899	1.3
57.03444	4.7
59.01379	6.0
68.99813	8.0
70.49398	2.9
70.49728	2.4
71.01379	18.4
73.02947	33.9
75.00880	2.5
79.91947	1.3
85.02940	9.4
85.06596	2.6
87.04515	26.5
88.04028	4.1
95.70440	1.6
95.99318	1.2
99.00892	10.4
101.02440	4.5
113.02433	3.6
119.93777	1.2
130.01466	1.8
130.02318	2.3
130.08737	100.0
131.03487	10.8
131.07135	2.7
131.09070	3.9
137.75497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Itaconate
Peak:m/z	Relative Intensity
55.01871	13.8
57.03454	48.7
67.01891	92.8
70.13058	15.6
71.01385	15.0
72.49699	4.9
80.19585	5.1
85.02953	100.0
88.34998	5.7
98.19906	6.1
101.02441	18.3
128.90215	6.0
129.01941	36.4
129.03896	19.7
129.60156	5.2
133.76846	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
52.46828	5.7
52.93968	5.6
55.01859	17.5
56.04432	5.6
57.03446	65.9
58.40711	6.1
64.12643	5.8
67.01886	100.0
68.88233	6.8
70.40581	9.0
70.40924	9.5
71.01398	35.8
83.01414	5.7
84.64681	6.2
85.02953	93.3
88.03951	6.6
97.36630	6.7
98.20224	12.3
101.02425	25.9
129.01932	47.7
129.03859	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
50.57538	2.5
55.01873	6.1
57.03452	37.0
64.40275	2.0
65.57190	1.9
68.99856	2.3
70.46622	1.9
70.87032	3.0
71.01382	100.0
85.02953	49.5
93.20848	2.2
96.99313	7.2
98.20309	3.8
101.02447	7.2
129.01950	26.3
130.08745	31.8
134.33081	2.1
142.68622	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	127.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67499	0.5
59.01360	0.8
59.90830	0.5
66.15981	0.5
66.81582	0.5
70.87207	1.0
71.01387	1.7
83.01373	0.6
83.05057	0.7
85.02952	2.0
98.20396	0.6
99.00909	1.0
109.65807	0.7
110.92776	0.7
126.90502	100.0
127.00380	4.5
127.04018	1.5
127.07673	7.8
128.03540	9.0
128.07166	4.0
141.26141	0.5
142.83133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.5
58.38957	0.9
67.01890	9.7
70.34400	3.1
71.01386	3.4
72.52157	0.8
73.93944	0.9
77.52218	0.9
82.02982	3.7
83.98925	1.1
84.04581	0.9
85.02943	8.6
101.02457	1.1
127.87066	1.8
128.03543	100.0
128.90184	1.4
129.01958	4.7
129.03871	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	128.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14727	0.4
54.18218	0.4
57.03438	1.5
67.01880	2.1
70.02601	0.8
71.01374	1.1
82.02975	4.0
84.04582	0.7
85.02949	7.8
98.03445	0.5
98.20017	1.0
98.20605	0.5
101.02467	1.4
107.83260	0.4
128.03542	100.0
128.90161	0.5
129.01936	1.2
129.03865	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	129.0195
Annotation	Itaconate
Peak:m/z	Relative Intensity
55.01859	6.9
57.03448	32.0
67.01884	55.7
69.20319	34.4
71.01387	24.6
83.01389	5.6
85.02943	100.0
96.35697	3.8
101.02443	14.0
103.12807	4.2
129.01941	35.5
129.03891	10.6
145.32584	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.43479	0.3
70.27769	1.4
70.64151	0.4
72.03098	0.3
75.77953	0.4
81.80859	0.4
86.01734	0.4
88.27737	0.4
91.01886	0.6
93.03467	1.8
94.02965	0.4
108.02176	2.4
120.02167	0.6
121.02953	100.0
122.02493	0.7
122.03289	4.5
128.37102	0.3
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
69.82120	4.0
69.82537	6.8
74.49292	1.5
90.38848	2.0
91.53815	1.5
93.03445	3.1
94.02970	5.9
98.19847	2.2
108.02222	2.0
121.02953	100.0
122.02461	4.6
122.03305	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	125.0609
Annotation	Toluene-cis-dihydrodiol
Peak:m/z	Relative Intensity
61.81121	6.2
69.03447	17.5
69.40919	7.0
70.15182	29.8
73.39935	7.7
81.03460	10.4
96.99246	9.5
97.02962	20.5
115.46012	7.2
125.02459	100.0
125.06084	65.1
126.01962	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	125.0609
Annotation	Toluene-cis-dihydrodiol
Peak:m/z	Relative Intensity
50.53718	2.2
55.01878	3.3
63.90676	2.3
67.01899	3.0
69.03460	25.9
69.15002	10.4
69.15430	12.6
70.06063	2.1
78.75421	2.1
79.01887	2.6
81.03467	9.8
83.01421	3.6
96.99258	2.7
97.02959	21.7
97.06586	7.6
125.02445	100.0
125.03429	4.7
125.06063	26.7
126.02021	5.2
126.02818	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	118.9421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01104	0.5
59.01375	1.6
61.98830	10.5
71.01371	1.1
71.50159	0.6
71.50553	0.4
72.99313	5.5
73.02943	3.8
74.96194	0.8
75.00872	1.2
75.03354	2.7
78.95908	6.0
87.92539	0.4
93.01064	0.3
95.95234	37.1
103.92046	0.6
105.87319	0.4
118.94209	100.0
119.02396	1.1
119.03487	2.4
119.05028	1.2
119.94105	0.6
120.85045	0.4
122.56590	0.4
136.95280	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	118.942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39095	0.4
59.01382	2.9
61.41963	0.4
61.98829	19.4
63.86860	0.4
71.01384	1.5
71.49943	0.4
72.99310	6.7
73.02948	4.3
74.96177	1.3
75.00867	1.7
75.03357	2.6
75.16736	0.4
78.91901	0.4
78.95905	7.5
79.95734	0.5
87.82021	0.4
87.92522	0.7
95.95232	36.0
101.01320	0.7
101.02460	0.4
103.92018	0.5
118.94208	100.0
118.99918	0.9
119.02383	1.0
119.03503	4.3
119.04946	2.3
119.91512	0.6
136.95268	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.70047	2.3
69.70526	14.6
93.03471	4.2
94.02980	3.4
98.19970	2.7
98.20512	4.7
99.45847	2.7
112.45109	2.5
121.02959	100.0
122.02495	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	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
55.01873	3.2
68.99573	17.6
70.43887	6.9
71.01384	100.0
71.05022	4.5
98.40714	3.2
101.24915	3.1
114.93469	3.0
115.00367	12.6
115.04019	3.2
116.07164	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08593	2.6
55.01876	3.3
55.97275	2.0
68.99574	20.4
70.44228	7.0
71.01383	100.0
71.04980	2.6
74.02460	3.2
90.36672	2.0
115.00373	9.3
116.07157	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	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98802	0.4
70.20891	0.5
70.21231	1.4
73.02946	100.0
74.02467	0.5
74.03277	2.7
99.00877	9.1
99.08190	0.4
102.02939	0.4
116.92876	0.7
117.01942	16.7
117.88941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
71.07729	0.9
73.02945	100.0
74.03284	2.0
82.54691	0.4
88.27995	0.4
94.43038	0.4
99.00877	9.2
102.09821	0.5
116.92849	0.8
117.01939	15.8
135.07845	0.5
136.59145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.6987
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02681	0.8
81.03466	2.1
81.69260	0.6
83.01381	0.7
83.05029	4.4
84.02159	0.6
85.02960	1.1
87.00883	1.5
89.02442	3.5
95.01402	1.0
95.05035	1.9
96.05478	0.6
96.96026	0.8
97.02955	2.4
97.06588	1.3
99.00906	0.6
101.02450	5.5
107.05033	3.7
109.02946	0.9
109.06574	2.3
110.03722	1.2
111.08192	1.1
113.02462	3.3
113.06088	1.1
116.92873	3.3
119.03532	0.6
119.04980	0.5
121.02957	2.3
123.04549	1.3
123.08140	1.4
125.02441	2.3
125.06032	2.7
125.09718	6.0
126.90490	1.2
127.07669	0.7
135.04507	1.0
135.08179	5.1
136.05316	1.1
137.09727	0.8
137.92688	0.5
141.12814	0.7
142.02861	0.6
151.11247	1.3
153.09213	7.6
153.12854	0.6
161.04556	1.7
161.05972	0.8
163.11285	11.1
164.11652	0.6
165.12827	8.3
171.10269	3.3
176.08415	2.5
177.09250	0.7
178.10014	1.6
179.05641	0.8
179.07108	0.8
179.14421	2.7
181.12317	3.0
185.11795	3.1
189.12804	0.9
191.10794	3.7
193.15952	1.8
195.13867	1.6
197.11821	13.9
198.12224	0.6
205.16063	0.8
207.10265	9.8
209.11816	74.1
210.12183	2.6
217.12315	1.7
219.17589	1.2
223.13348	3.1
225.11328	5.3
233.18886	0.6
235.08229	3.4
236.10522	1.9
243.17534	2.0
245.15620	1.0
245.19017	0.7
247.20648	6.9
253.09229	9.7
261.18512	3.4
263.16473	0.8
269.15506	1.6
273.18555	2.1
277.18146	4.7
279.19644	2.3
287.16498	11.9
288.16827	0.7
289.17978	1.4
291.19656	73.3
292.20035	3.8
293.17905	0.8
293.21198	5.7
295.19095	1.8
305.17563	57.4
306.17926	2.7
307.19034	1.5
309.20700	74.4
310.21048	4.1
323.18597	11.8
324.18866	1.1
351.14838	0.7
351.93210	0.6
445.20984	0.8
461.20493	0.8
523.25555	4.9
524.05969	0.6
527.28333	2.8
541.26526	21.0
542.26819	2.2
545.29669	2.2
559.27747	3.7
707.36792	1.9
725.39270	0.9
753.29675	0.5
753.40704	12.2
754.41125	1.4
764.39655	3.0
782.40479	1.7
815.46075	6.4
833.46924	100.0
834.47302	14.8
851.47931	29.4
852.48889	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	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
53.71372	2.8
55.01871	6.3
67.01888	64.4
68.02226	4.9
71.23766	6.6
71.34906	2.9
74.29108	2.7
77.88779	2.7
78.95901	4.4
83.01376	14.1
96.73636	3.4
111.00883	100.0
112.01167	5.1
126.79011	2.6
126.81455	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01466	2.5
52.86148	2.6
52.96716	2.7
55.01873	9.7
67.01894	43.1
67.14374	2.5
69.37090	18.7
78.95897	9.4
79.95741	20.2
83.01389	29.6
95.95233	7.5
96.54128	2.9
110.89919	3.4
110.96847	5.3
110.97581	100.0
111.00884	79.8
112.94720	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	1115.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
77.10137	0.2
78.95892	1.0
83.01392	1.1
84.02163	1.4
85.02949	44.3
86.03283	0.6
87.00847	0.7
89.02429	1.9
89.03775	0.3
92.72664	0.2
101.02434	0.5
103.00362	1.0
111.00887	2.9
115.00364	0.7
129.01945	4.3
133.01433	3.3
135.04514	1.5
147.03000	3.5
158.92458	0.5
173.00948	1.6
179.03487	1.0
191.01967	27.2
192.02344	0.5
209.03017	100.0
210.03386	1.7
241.13284	0.3
272.95667	0.3
353.05078	1.2
371.06174	41.3
372.06363	2.0
401.67603	0.3
408.01282	0.3
428.02390	0.3
620.01892	0.7
621.02600	0.7
779.30762	0.3
798.61249	0.3
1149.99023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
87.36915	0.1
90.90267	0.1
96.96033	0.4
97.93166	0.3
99.92587	27.5
100.92597	0.7
114.93419	1.3
116.92863	100.0
117.01942	1.0
117.92868	3.4
122.21178	0.1
131.91594	0.2
156.99220	0.1
161.12115	0.1
166.53864	0.2
195.14011	0.2
223.02570	0.2
268.12643	0.1
309.20569	0.2
313.76837	0.1
327.21936	0.1
371.82965	0.1
577.55200	0.1
708.73212	0.1
948.87946	0.2
1133.51880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.6648
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	1.8
82.93256	0.2
83.01389	3.1
83.05048	0.2
85.02949	8.0
87.00889	0.8
88.94622	0.2
89.02444	1.0
95.01392	1.6
96.95998	0.8
97.02954	0.6
98.38134	0.2
99.00889	3.0
99.04517	82.4
100.04860	1.1
101.02440	26.5
113.02448	7.4
121.06644	0.3
125.02444	38.7
126.02795	0.5
129.01936	0.4
134.03683	0.4
143.03497	4.1
149.00943	0.4
159.02992	1.8
161.04544	11.1
162.04869	0.2
178.02739	0.4
191.01881	0.3
205.03531	0.3
209.03043	0.3
275.09332	0.4
283.11853	18.7
284.12149	1.0
285.04221	0.3
325.12897	19.0
326.13333	0.8
365.16013	6.9
366.16238	0.4
369.11850	0.5
383.17239	1.0
410.11133	0.3
427.16052	100.0
428.16418	6.5
451.33945	0.2
470.22897	0.3
602.97345	0.3
615.74072	0.3
677.49506	0.9
678.49860	0.4
785.97711	0.3
937.97479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.528
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02665	0.9
81.03458	1.8
83.01376	1.4
83.05033	4.2
84.02155	0.4
85.02950	3.8
87.00876	3.2
89.02451	10.0
93.03479	0.5
95.01395	1.6
95.04499	0.4
95.05018	2.1
97.02934	2.4
97.06580	1.5
99.00874	1.4
99.04545	1.0
99.08147	1.3
101.02442	10.2
107.05045	0.7
108.02187	0.6
109.02966	1.1
109.06597	1.1
111.04553	0.7
111.13702	0.4
111.28564	0.5
112.05315	0.8
113.02464	6.2
113.09725	0.6
115.07632	2.0
116.92879	2.3
119.03507	2.6
121.02899	1.1
123.00845	0.6
123.04495	1.0
123.08180	1.3
125.02415	3.2
125.06074	0.6
125.09727	4.4
127.07629	3.4
127.11227	0.6
131.03441	0.5
135.04439	0.6
135.08156	2.6
137.09729	1.0
139.07642	1.1
141.01964	0.8
141.09206	1.3
141.12895	0.5
143.03566	2.1
149.04570	0.6
149.68936	0.4
151.11244	0.7
153.09219	9.2
153.12813	0.6
155.10783	2.2
161.04608	2.2
163.07622	0.4
163.11272	5.5
165.12852	3.1
167.10803	0.5
168.97426	0.4
171.10271	19.4
175.11264	0.6
177.12923	0.5
178.09999	3.6
179.05614	4.5
179.10759	0.8
181.12300	1.0
185.11819	8.0
189.42682	0.4
191.10811	2.2
191.14433	2.4
193.12323	0.6
197.11827	9.3
207.10249	1.2
209.11824	74.3
210.12149	2.1
211.13434	0.8
219.13954	1.2
221.06680	2.0
222.23064	0.5
225.11313	1.2
227.12854	1.6
235.08195	2.8
236.10492	1.0
237.11311	1.2
238.12051	2.6
239.13034	0.8
239.16383	0.9
245.19099	5.0
253.09161	0.8
261.18610	0.8
263.07697	0.9
263.20142	1.9
265.18082	0.7
279.19571	1.8
281.21118	1.0
287.07712	0.6
287.16428	0.6
289.18076	17.7
290.18518	1.0
291.19586	0.7
297.20724	2.8
305.08920	0.7
305.17563	1.9
307.19144	100.0
308.19485	4.0
309.20782	1.8
323.09671	0.8
323.18716	1.0
325.20187	45.9
326.20557	1.9
327.21707	3.0
349.20285	0.6
379.12491	1.2
397.13498	21.0
398.13937	1.2
412.32889	0.5
415.14529	8.4
430.67236	0.5
511.25616	0.6
525.26953	1.0
551.23761	0.9
569.24420	1.8
618.25531	0.5
636.26306	2.4
687.32495	10.0
688.32489	1.3
703.31641	1.2
705.33405	37.1
706.33984	3.3
723.34387	6.5
790.36835	0.9
855.43115	0.9
859.43335	8.5
860.43781	1.1
871.44623	0.6
873.44727	0.7
877.44623	2.6
885.44800	1.2
897.44958	1.2
915.46655	0.9
926.45361	4.2
944.46051	8.0
945.45862	0.6
962.47681	2.2
977.51178	3.0
985.52930	0.8
995.52258	25.9
996.52710	4.1
1013.53357	28.9
1014.53656	4.2
1031.54504	6.7
1032.54407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02959	14.8
96.96017	13.2
98.38988	8.2
101.02449	10.2
111.00868	9.4
116.92927	38.0
126.90513	13.6
171.10295	14.2
191.01996	15.2
209.03027	11.1
209.11739	17.3
299.02008	7.3
307.19150	23.6
325.20148	13.3
705.32513	9.9
995.51508	14.9
1013.53241	15.0
1031.54504	11.5
1094.53430	100.0
1095.53918	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	1103.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03486	0.1
83.01382	2.0
85.02951	6.2
86.00096	0.6
87.00880	3.1
89.02448	6.0
93.03436	0.3
95.01389	3.8
96.99304	0.2
97.02936	0.7
98.20547	0.2
99.00887	1.9
99.04511	0.2
99.92584	0.2
101.02444	9.4
109.02951	0.5
111.00914	0.7
112.01668	0.7
113.02454	10.1
113.93533	0.1
116.92874	1.2
117.92883	0.1
119.03497	2.0
121.02940	0.2
122.01974	0.1
125.02415	0.5
129.01920	0.3
131.03511	3.6
137.02431	0.3
139.00385	1.2
139.04008	0.1
143.03503	1.0
149.04553	0.2
157.01379	0.5
159.02982	0.8
161.04553	5.3
171.10251	0.2
179.05624	1.7
208.13002	0.1
215.14166	0.2
221.06671	6.4
244.53316	0.1
263.07724	0.3
339.26559	0.2
362.98837	0.1
387.27151	0.2
398.51819	0.1
403.30161	0.4
405.28021	0.5
407.29437	0.5
415.14056	0.2
421.31042	1.2
423.33447	0.8
425.30658	0.3
439.32144	5.9
440.32507	0.8
441.33713	1.9
442.34094	0.3
453.29678	0.2
459.34576	0.2
485.32590	0.4
509.36411	0.4
537.36108	0.3
539.33893	0.2
743.40344	0.2
923.46771	1.1
941.47156	0.2
1103.52795	100.0
1104.52954	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	1071.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01400	1.0
83.05046	3.3
85.02962	5.2
87.00874	3.2
89.02442	16.1
95.01359	2.2
95.05016	2.0
97.02964	3.0
97.06549	1.4
99.92580	2.8
101.02435	15.3
102.63521	1.0
108.02213	1.0
113.02448	8.6
114.93411	1.8
116.92863	8.4
119.03483	4.4
123.08112	1.1
125.02438	5.3
125.06068	1.3
125.09711	2.4
126.90482	3.5
127.07643	1.3
135.08125	1.6
141.01938	1.2
143.03476	2.8
149.04546	1.4
153.09218	5.1
161.04489	5.1
163.11269	3.3
165.12804	4.8
171.10271	9.1
178.10049	1.4
179.05621	4.7
179.14389	1.8
181.12320	1.7
185.11832	3.5
191.10699	1.2
193.72263	1.1
195.13867	7.3
197.11794	8.1
209.11815	29.6
211.13341	3.5
221.06607	1.8
223.13390	6.8
235.08179	3.8
245.19038	2.4
247.20627	4.9
253.09297	1.5
263.07764	1.3
263.20190	1.1
275.20062	4.6
289.18063	8.2
291.19650	57.6
292.20068	3.6
293.21222	81.4
294.21539	4.5
297.20789	1.3
305.08820	1.4
307.19150	50.5
308.19525	3.3
309.20700	100.0
310.20999	5.7
323.09744	1.4
325.20181	21.2
326.20642	1.7
327.21698	3.5
379.12326	3.7
397.13483	50.2
398.13837	1.9
415.14584	23.5
673.33679	1.6
687.32422	7.0
689.33899	3.5
691.35388	5.5
705.33203	8.9
707.35626	5.4
723.34375	2.0
912.47028	7.4
981.54205	38.9
982.54303	8.8
999.55536	17.5
1000.55664	2.4
1035.53174	3.0
1071.53979	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	1078.543
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95934	13.8
84.65943	12.0
85.02948	21.7
98.20682	41.8
99.92603	28.8
101.02451	12.6
116.92872	100.0
126.90540	38.4
171.10268	18.8
198.37607	12.6
209.11896	32.1
219.48056	12.6
230.11330	12.6
291.19623	30.2
292.20010	17.6
307.19144	32.6
308.19479	16.8
309.20703	53.6
310.21219	14.4
318.98352	12.3
327.21487	13.0
341.23154	27.6
397.13351	34.5
415.14655	19.8
997.53052	25.0
1015.55212	24.2
1078.53906	87.9
1079.54492	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	1087.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02689	0.9
81.03464	1.9
83.01386	2.0
83.05019	3.1
84.02158	0.8
85.02946	4.6
87.00874	4.0
87.03493	0.4
89.02441	13.8
92.77371	0.4
95.01375	1.6
95.05029	2.1
96.96014	0.6
97.02950	3.1
97.06590	1.7
98.20786	0.4
99.00887	1.1
99.04537	0.9
99.08160	0.5
99.92569	0.7
101.02445	13.7
108.02152	0.7
109.02950	1.0
109.06593	1.2
110.03755	0.6
111.00890	0.9
111.04527	0.8
111.08157	0.7
112.05260	0.7
113.02449	7.6
113.09751	0.6
115.07633	1.5
116.92855	3.4
119.03514	3.7
121.02969	0.6
123.04504	1.1
123.08156	1.2
125.02461	4.8
125.06088	1.1
125.09723	4.4
126.90459	0.6
127.07641	3.0
127.11258	0.5
131.03468	0.6
135.04480	0.6
135.08156	2.3
137.02426	0.7
137.09717	1.4
139.03958	0.7
139.07729	0.6
141.01973	0.5
141.09189	1.0
141.12845	0.8
143.03491	2.4
149.04610	0.5
151.11295	0.5
153.08064	0.7
153.09200	8.4
153.12796	0.5
154.88112	0.4
155.10770	1.6
161.04543	3.1
162.10493	0.4
163.07642	0.4
163.11298	6.6
165.09106	0.8
165.12846	8.4
166.09956	0.4
167.14435	0.7
169.12241	0.4
171.03036	0.4
171.10248	14.9
177.12839	0.7
178.09984	2.9
179.05623	5.9
179.14417	1.9
181.12302	2.8
183.13931	0.7
185.11827	4.8
191.10699	1.3
191.14362	1.3
193.12257	0.6
193.15884	2.2
193.26175	0.4
197.11823	10.0
199.13452	0.6
207.10234	1.3
209.11812	57.6
210.12135	1.9
211.13368	1.2
217.07065	0.6
219.13931	0.8
221.06674	2.1
221.15503	1.0
223.13335	1.9
227.12871	0.9
229.19478	0.6
235.08186	3.3
236.10498	1.5
237.11372	0.8
238.12135	2.6
239.12711	0.5
239.16512	0.5
245.19075	3.9
247.20612	6.5
248.20784	0.5
249.07390	0.4
251.16426	0.5
253.09151	0.7
261.18695	0.5
263.07544	0.6
263.20081	1.4
271.16989	1.1
273.18665	2.1
277.09467	0.4
279.19598	1.5
281.17838	0.4
281.20999	0.9
284.22675	0.5
287.07681	1.1
289.14777	0.9
289.18069	14.6
290.18500	0.5
291.19650	66.5
292.19998	3.8
297.20575	2.7
305.08862	1.0
307.19131	84.7
308.19507	4.2
309.20688	100.0
310.21024	4.4
323.09552	1.0
325.20178	35.2
326.20544	1.4
327.21594	1.1
379.12317	1.6
397.13483	35.9
398.13736	1.5
415.14572	15.5
416.15057	0.6
536.07916	0.5
551.23932	0.7
569.24640	1.0
618.25220	0.7
636.26624	1.1
671.32611	0.7
687.32251	11.6
688.32568	0.9
689.34052	3.2
705.33331	31.4
706.33844	2.7
707.34808	3.2
723.34320	4.6
724.35150	0.6
817.48132	1.0
861.44543	0.7
871.44025	0.6
910.45178	1.1
928.46692	8.6
929.46857	0.8
946.48071	1.1
979.52924	4.2
980.53381	0.6
997.53754	39.7
998.54333	5.7
1015.54785	11.5
1016.55347	1.3
1043.54224	0.7
1087.54028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03464	2.1
83.01393	1.8
83.05032	4.6
84.02144	1.2
85.02946	8.2
87.00860	6.4
89.02455	14.9
92.78217	1.2
95.01395	2.2
95.05013	1.5
96.95999	1.6
97.02955	4.7
98.23208	1.3
99.00900	2.3
99.92613	1.4
101.02448	19.1
107.81576	1.1
113.02452	11.0
115.07629	2.4
116.92869	10.8
119.03534	6.6
121.02973	2.2
123.04536	1.4
125.02443	6.6
125.09711	4.2
126.90486	2.6
127.07635	2.7
135.08182	2.6
141.01921	1.4
143.03508	3.0
153.09203	8.2
161.04567	5.3
161.06133	1.2
163.11288	5.6
165.12842	5.6
171.10252	16.2
177.12785	1.4
178.09985	4.5
179.05617	9.5
181.12347	2.3
185.11818	5.3
191.10742	2.6
191.14404	2.4
195.13885	9.3
197.11790	8.6
209.11818	64.3
210.12100	2.2
211.13394	3.6
221.06607	2.6
223.13359	7.1
235.08177	4.9
238.12085	2.1
245.19110	3.3
247.20602	3.7
256.13263	1.8
263.07587	1.5
263.20099	1.6
273.18619	1.5
275.20126	5.1
284.79886	1.3
289.18100	16.2
291.19635	41.7
292.20218	2.0
293.21216	100.0
294.21463	3.4
297.20828	2.4
305.08823	2.1
305.17783	1.3
307.19128	84.4
308.19586	2.7
309.20688	67.2
310.20877	2.9
313.76273	1.5
323.09976	1.4
325.20175	33.0
326.96173	1.3
327.21790	4.1
379.12433	3.0
397.13492	47.3
415.14539	22.4
687.32489	16.3
688.32745	2.1
689.33698	3.8
691.35608	4.5
705.33380	37.7
706.33771	2.1
707.35071	3.1
723.33887	6.3
912.47083	10.6
981.54218	70.4
982.55005	7.4
999.55786	19.9
1000.55475	2.9
1071.54138	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	1065.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
73.90559	2.3
78.49905	2.6
83.05042	5.6
85.02959	8.7
85.78615	3.2
87.00873	6.3
89.02444	28.0
95.05036	3.8
97.02957	6.9
97.06588	6.4
98.20632	5.2
99.00887	4.6
99.92579	8.4
101.02456	21.6
107.05025	13.2
109.23743	2.6
113.02451	11.2
114.93409	4.4
116.92059	2.7
116.92847	47.4
119.03477	5.8
121.02943	3.7
123.08205	3.4
125.02452	6.6
125.06079	11.6
125.09725	9.0
126.90510	26.5
127.11301	6.8
127.59993	3.4
127.97709	2.7
129.01978	3.3
135.04546	3.2
138.68733	2.9
139.07648	8.5
139.11327	3.5
141.09245	5.3
143.03462	5.8
143.79086	2.7
147.32298	2.6
151.07661	41.4
151.08841	4.8
152.07945	3.5
153.09224	10.1
155.10664	2.9
161.04562	6.5
163.11256	5.5
169.08728	16.2
171.10252	53.7
179.05588	13.9
185.11842	7.9
187.05325	4.0
191.14410	5.9
197.11769	9.5
199.09816	5.8
201.11317	67.7
207.10220	4.5
209.11794	42.1
215.12924	5.5
221.06664	5.9
225.11301	7.9
225.78857	2.7
225.97527	2.9
235.08203	5.3
245.19127	8.2
261.18689	4.6
265.14542	3.3
279.19479	4.1
287.16541	9.2
289.18082	39.9
291.19537	5.9
295.56390	2.7
297.61377	2.8
305.08826	5.1
305.17590	33.9
307.19141	100.0
308.19290	4.1
309.20718	12.2
310.20667	3.1
323.09854	4.0
323.18555	9.6
325.20160	36.9
327.21716	5.3
341.23288	23.8
379.12427	6.9
397.13535	83.1
398.13486	3.1
415.14508	33.1
439.69131	2.9
455.01239	2.9
551.23486	3.5
569.24432	4.4
599.25342	4.6
687.32080	16.5
703.32153	10.2
704.33533	2.8
705.33435	25.1
721.33655	5.0
723.34241	4.0
841.42114	3.2
859.42865	22.4
871.41962	6.8
877.44354	8.7
889.45184	15.7
931.46307	4.9
993.49969	25.9
994.50696	5.3
1011.51758	40.1
1012.52032	4.1
1029.52905	24.3
1065.51147	37.4
1066.52283	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	1057.4584
Annotation	Kapakahine G
Peak:m/z	Relative Intensity
78.79133	0.3
78.95905	100.0
81.63602	0.4
85.02946	1.7
87.00877	0.9
88.98798	0.4
89.02463	1.1
89.18912	0.3
95.01395	0.4
96.96963	18.4
97.02930	0.4
99.92570	0.5
101.02452	1.5
107.10074	0.3
113.02445	2.2
116.92867	2.8
119.03488	0.9
125.02414	0.8
152.01175	0.3
165.05344	0.3
187.70404	0.3
204.99205	0.4
223.00131	6.2
241.01186	2.1
249.80186	0.4
378.24075	3.6
385.05350	0.4
394.14874	0.3
396.25275	1.4
403.06464	13.8
404.06815	0.5
421.07617	2.0
463.08829	0.4
512.64172	0.4
535.11102	0.4
558.30115	0.3
702.34906	0.7
720.35809	4.2
721.34534	0.4
758.17230	2.4
762.36987	2.2
834.38892	0.9
1057.45837	77.6
1058.46130	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	1064.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
77.10528	7.7
79.95761	10.3
81.32257	9.5
85.02949	12.9
85.48357	9.3
87.00890	13.8
89.02444	12.7
95.91650	9.2
96.95987	18.0
99.92573	33.4
101.02405	14.8
114.93401	12.2
116.92862	100.0
117.92863	13.7
126.90497	27.9
169.92871	9.6
171.10368	11.3
179.05533	12.5
201.11116	10.3
209.11755	10.8
211.13565	9.8
291.19669	10.8
309.20575	18.1
327.21594	29.7
328.22174	21.8
329.22534	13.6
341.23267	14.1
397.13239	18.5
511.93094	10.9
1064.54688	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	1049.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02969	1.6
77.06312	1.2
80.02713	1.3
81.03472	1.7
83.01395	1.9
83.05028	4.5
85.02963	5.5
87.00891	4.3
88.98808	1.6
89.02442	15.0
95.01366	1.7
95.05022	1.7
96.84772	1.0
96.95993	1.5
97.02939	5.3
97.06552	1.9
98.20493	7.9
99.00900	2.6
99.92581	4.0
101.02443	13.3
101.66528	1.2
107.04999	1.3
109.02948	1.3
113.02435	8.7
116.92860	15.3
119.03446	5.5
123.04522	2.0
123.08147	1.5
125.02403	5.7
125.08949	1.2
125.09703	6.5
126.90498	5.0
127.07684	2.0
134.89500	6.4
135.08174	3.0
137.09698	2.5
141.01930	2.2
143.03523	2.6
153.09254	6.8
161.04526	4.3
163.11275	5.3
165.12863	3.2
171.10274	17.9
178.10020	1.8
179.05592	7.4
179.10785	1.4
181.12343	1.7
185.11821	8.2
191.14389	6.7
197.11879	8.8
201.11325	1.8
207.10278	2.5
209.11815	36.6
221.06610	2.6
225.11430	1.2
227.12897	2.7
235.08220	4.1
237.11249	3.4
238.12047	1.5
239.12726	1.3
241.14661	1.2
245.19102	14.9
263.20224	1.4
265.62839	1.1
271.17160	1.3
279.19635	1.7
287.16458	2.2
289.18079	56.4
290.18411	2.0
291.19742	6.2
297.20615	2.1
305.08771	1.5
305.17630	6.8
307.19147	100.0
308.19452	5.0
309.20697	12.0
310.21002	3.7
323.09592	1.5
323.18436	2.0
325.20181	32.0
326.20062	1.7
327.21774	1.6
341.23306	2.7
379.12430	2.7
397.13504	37.3
398.13879	2.6
415.14618	13.0
443.27917	1.5
685.30664	1.5
687.32312	13.4
688.32556	2.5
703.31714	2.4
705.33368	27.5
723.34412	4.5
815.45001	1.4
853.42261	1.3
867.43079	2.0
869.41571	2.7
871.42896	2.0
885.44525	2.4
887.43542	1.4
897.44983	2.0
899.46570	1.5
915.46063	5.4
926.45123	9.3
934.68445	1.4
944.45215	3.7
953.85126	1.4
959.49896	2.7
977.51013	18.7
995.52173	68.5
996.52826	10.7
1013.53247	37.4
1014.54205	7.2
1049.50879	26.4
1050.50757	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	1044.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
96.71965	29.8
98.20747	68.1
116.92850	56.4
126.90485	100.0
229.79001	39.7
244.83910	29.0
277.21722	45.7
305.17328	31.8
355.24982	33.5
397.13098	35.6
639.93042	32.7
963.53107	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02534	26.1
116.92876	66.4
126.90513	100.0
136.89174	30.4
226.02011	21.8
228.22636	24.5
266.19275	25.2
277.21625	35.8
308.19827	28.1
336.29556	22.9
367.77628	22.3
392.31647	25.7
397.13287	29.7
398.14005	24.0
435.78149	26.2
523.71918	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
74.28113	17.4
78.47344	15.9
80.76546	16.6
85.02951	16.3
86.17515	17.2
89.02455	22.6
101.02465	22.2
102.22638	16.0
116.92812	40.1
120.85909	16.9
126.90521	100.0
134.89503	15.5
164.87698	18.7
191.53329	17.5
209.11824	27.1
241.14377	27.5
257.85373	20.1
278.22104	17.9
307.18811	24.6
321.20337	24.7
327.21619	30.8
328.22278	25.2
397.13354	51.9
486.40900	19.4
705.33484	24.9
744.89594	19.1
968.55023	34.7
983.54639	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	1047.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	1.9
73.02942	4.0
80.02682	1.9
81.03458	2.1
83.01385	2.3
83.05024	5.2
84.02156	1.8
85.02957	7.9
87.00877	5.1
89.02445	16.7
95.01373	1.8
95.05025	4.2
96.96008	2.7
97.02948	4.3
97.06583	6.7
98.03738	0.6
99.00874	4.4
99.04523	2.3
99.08156	1.1
99.92574	2.0
101.02441	16.9
101.03109	0.9
106.04231	0.9
107.05035	3.6
109.02953	1.4
109.06600	1.3
110.03819	0.7
111.00898	1.8
111.04586	0.8
111.08168	2.2
113.02453	9.9
115.07645	1.4
116.92859	7.8
117.92916	0.6
119.03471	5.2
121.02932	1.4
121.06521	0.9
123.04520	1.7
123.08143	2.6
124.01665	0.6
125.02443	5.9
125.06091	13.6
125.09716	11.5
126.90505	1.5
127.07658	3.5
127.11288	6.5
129.01926	0.7
131.03510	1.3
135.04527	0.9
135.08177	4.6
137.09697	2.4
139.04036	0.7
139.07664	4.1
139.11316	0.9
141.01932	1.2
141.09190	4.1
143.03532	3.0
143.07101	0.7
150.77921	0.6
151.07651	1.4
151.11319	1.0
153.09221	13.3
155.10725	4.6
159.03020	0.8
161.04597	3.9
163.11285	6.2
165.09192	2.5
165.12811	4.1
167.10782	0.7
169.08694	17.3
169.12363	1.0
171.10268	37.1
173.09798	0.6
176.08374	0.7
178.09999	3.3
179.05603	7.0
179.10791	0.9
181.12337	2.3
183.10243	0.9
183.13902	1.0
185.11833	7.9
191.01865	0.7
191.10756	2.7
191.14386	1.6
197.11833	12.3
199.09747	2.4
199.13434	1.0
201.11316	100.0
202.11642	2.2
207.10204	4.6
208.76318	0.6
209.11821	73.5
210.12138	1.7
211.13393	2.3
213.11340	1.1
219.13991	0.9
221.06659	3.6
221.11879	1.5
225.11330	3.8
227.12900	1.9
229.14534	0.8
235.08159	4.6
236.10541	1.8
237.11272	1.5
238.12103	2.1
245.19092	3.5
251.20407	0.7
253.09229	1.3
261.18591	1.8
263.16577	1.1
263.20175	0.7
269.15286	0.7
271.17191	0.9
277.17834	0.7
279.19647	2.3
287.07574	1.0
287.16559	4.9
289.18121	16.3
291.19534	0.8
297.20752	2.2
305.08759	1.4
305.17593	19.5
306.17960	1.1
307.19135	73.3
308.19543	3.4
309.20633	1.9
323.09885	1.6
323.18674	5.1
325.20175	32.4
326.20554	1.3
327.21786	4.9
341.23322	6.9
349.20203	0.7
379.12546	2.8
397.13501	36.3
398.13956	1.6
415.09048	1.0
415.14575	18.8
416.15009	1.0
485.32639	0.9
491.30539	0.9
551.23401	1.0
569.24481	2.3
581.24475	1.4
599.25415	4.8
623.25909	0.9
636.26276	1.7
685.30579	2.2
687.32190	10.0
688.32532	0.8
703.31592	7.0
705.33417	22.9
706.34119	2.2
707.36603	0.9
707.94489	0.7
721.34039	1.6
723.34595	4.9
820.37573	3.4
857.41980	1.7
859.43359	8.3
860.44995	0.9
871.43768	2.3
877.44568	3.8
889.44312	23.2
890.44104	2.9
897.43811	0.9
901.45386	1.1
907.45184	10.7
915.45160	0.9
919.45099	0.9
924.43835	1.7
931.45898	2.0
949.46832	3.4
960.46759	1.0
993.50317	8.3
994.51160	1.5
1011.52081	8.1
1011.72083	1.3
1012.52234	1.0
1029.53625	7.8
1030.55945	0.8
1047.54028	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	1037.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
77.17843	1.6
84.02248	1.6
85.02947	5.0
88.98804	2.7
89.02459	5.6
96.96001	2.9
97.02898	2.6
97.06585	1.9
99.92614	8.1
101.02453	7.2
104.48895	1.5
113.02491	2.4
114.93395	2.9
116.92867	48.3
117.92889	8.9
118.92694	5.1
125.02421	2.0
126.90500	6.4
134.89484	15.5
143.03499	1.7
156.55907	1.8
161.04529	2.4
171.10262	8.3
179.05652	2.3
195.13936	3.1
197.21764	1.5
211.13412	6.4
221.11630	2.7
229.14488	5.5
235.08214	2.7
241.37767	1.6
253.09396	2.2
273.12787	1.6
275.20093	2.3
291.19727	3.4
293.21262	53.1
294.21838	1.9
309.20731	15.4
311.22278	4.6
327.21747	100.0
328.22092	5.6
397.13455	33.2
415.14651	30.8
603.43109	7.0
613.46997	1.8
691.35718	16.0
692.36005	2.0
707.34753	23.8
708.35400	2.2
725.36432	19.1
826.01563	1.8
1001.56879	42.2
1002.57263	4.3
1037.54590	79.8
1038.54980	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	1043.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	3.4
75.00861	4.8
77.86028	1.4
77.89169	1.2
80.78189	1.5
81.03439	2.1
83.01372	2.2
83.05021	6.5
85.02941	6.0
87.00870	4.1
89.02452	18.7
95.01333	2.0
97.02925	2.6
99.00896	2.5
99.04520	2.0
101.02444	19.4
112.05277	1.3
113.02453	9.6
115.07649	2.0
116.92850	10.0
117.92818	1.3
118.94907	1.3
119.03493	4.2
121.02913	1.5
125.02419	5.4
125.09694	4.1
126.90486	3.2
127.07667	3.6
134.89450	2.1
135.08144	2.6
136.89177	1.6
139.03946	1.4
143.03465	2.5
150.45305	1.3
153.09215	8.8
155.10690	1.7
161.04521	3.7
163.11267	5.2
163.37088	1.4
165.12837	2.9
171.10274	23.5
178.09995	3.2
179.05617	8.4
185.11797	5.0
191.10680	1.4
197.11865	7.0
209.11815	74.3
210.12155	2.0
221.06657	4.0
228.71594	1.5
235.08121	3.8
238.12035	3.8
245.19061	6.3
263.20154	2.3
271.16968	1.7
277.21735	60.7
277.24826	2.9
278.22018	2.7
279.19666	1.9
287.07797	1.6
289.18137	17.6
293.21094	3.8
297.20673	3.2
305.08990	1.3
307.19150	100.0
308.19510	5.1
323.09839	2.1
325.20178	40.8
326.20401	2.0
337.74893	1.5
341.10837	1.5
379.12372	5.2
397.13464	38.3
415.14606	9.5
486.34079	1.5
551.23096	2.2
569.24109	2.0
657.34534	1.7
675.35870	2.9
687.32513	22.1
688.32587	1.7
705.33356	38.1
706.33734	2.6
723.34705	6.5
759.84729	1.7
896.47266	7.9
965.54828	80.8
966.54871	11.8
983.55682	27.6
984.56128	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	1035.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	0.4
73.02936	0.7
76.26626	0.2
81.03442	0.3
81.34602	0.2
83.01378	0.6
83.05041	0.4
84.02159	0.5
84.82846	0.2
85.02951	5.1
87.00863	1.0
89.01933	0.3
89.02445	3.8
94.33788	0.2
95.01372	0.5
95.05023	0.6
96.96021	0.3
97.02941	1.3
97.06590	2.8
98.19877	0.4
99.00861	0.2
99.92590	0.2
101.02440	3.5
109.02956	0.3
109.06578	0.2
110.03738	0.3
111.04501	0.3
111.08191	0.2
113.02457	2.0
116.92852	1.1
119.03512	1.2
119.08677	0.2
123.08173	0.4
125.02429	1.0
125.09736	0.9
126.90497	0.2
127.11278	1.2
137.09724	1.2
141.01974	0.2
143.03467	0.7
155.10808	1.2
155.14420	0.3
161.04547	1.0
163.11261	0.3
165.12851	0.8
167.10724	0.3
167.14392	0.7
171.10265	16.2
172.10640	0.3
175.11139	0.2
177.12839	0.8
179.05605	1.7
181.12286	0.3
183.13896	2.6
185.11848	0.9
193.12276	0.9
195.13907	0.3
197.11804	0.8
199.13330	0.3
201.11308	0.6
203.10757	0.4
209.11818	1.6
211.13382	14.4
212.13588	0.4
221.06631	0.5
221.11823	2.5
227.12860	0.3
229.14432	11.9
230.14871	0.4
234.75243	0.2
235.08319	1.2
235.10298	0.2
239.12859	2.2
247.20593	0.5
253.09314	0.4
269.33746	0.2
273.18518	0.2
291.19672	4.0
309.20688	3.7
323.09894	0.4
327.21747	100.0
328.22067	5.0
345.37671	0.2
351.21863	0.2
369.22556	0.3
397.13467	7.9
398.13779	0.2
415.14566	12.5
416.14932	0.6
443.89075	0.2
545.29816	0.5
637.43146	4.4
638.43756	0.3
689.33203	0.2
707.35016	5.0
708.35364	0.5
725.35974	13.6
726.36505	1.4
1000.75964	0.2
1035.57312	3.4
1036.57825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99292	0.9
73.02936	2.2
75.00874	0.5
80.02681	0.6
81.03460	1.4
81.20856	0.5
83.01392	1.6
83.05015	3.0
84.02198	0.6
85.02946	8.8
87.00885	2.3
89.02446	11.3
95.01372	0.9
95.05009	1.2
96.96001	1.4
97.02937	2.2
97.06593	3.0
99.00877	1.0
99.04507	0.6
99.92505	0.5
101.02435	9.2
109.02905	0.5
109.06577	0.7
110.03677	0.4
111.08167	0.6
111.66453	0.4
112.05286	0.5
113.02461	4.8
115.07642	0.8
116.92835	3.4
119.03510	2.8
121.02952	0.5
123.04507	0.5
123.08147	1.2
125.02436	2.6
125.06118	0.5
125.09732	3.1
126.90528	0.6
127.07633	1.7
127.11265	1.4
131.03510	0.5
135.08167	1.5
137.09770	2.1
139.07677	0.8
141.01860	0.5
141.09245	0.5
143.03488	1.4
149.04565	0.5
153.09206	6.7
155.10776	1.6
155.14439	0.5
159.15222	0.4
161.04552	1.9
163.11292	2.3
165.12843	2.6
167.10727	0.4
167.14381	0.6
171.10269	33.2
172.10623	0.7
175.11360	0.6
177.12784	1.1
178.09962	1.8
179.05615	4.0
181.12314	0.8
183.13919	3.2
185.11823	3.8
191.01935	0.5
191.10760	1.1
191.14453	0.9
193.12270	1.4
197.10533	0.4
197.11852	4.2
201.11305	1.2
203.10789	0.5
207.10257	0.9
209.11821	31.5
209.62114	0.4
210.12228	0.9
211.13393	14.6
219.13972	0.6
221.06706	1.4
221.11792	2.7
227.12898	0.9
229.14412	11.2
235.08279	1.6
236.10516	0.8
237.11313	0.4
238.12181	1.0
239.12817	1.8
239.16620	0.4
245.19044	1.9
246.19261	0.5
251.16673	0.4
253.09309	0.7
263.20139	0.7
279.19556	0.9
287.07660	0.4
289.18118	7.4
291.19641	4.1
293.21069	0.5
297.20703	1.0
305.08597	0.9
307.19144	38.5
308.19495	1.6
309.20728	6.4
312.62897	0.4
319.90738	0.4
323.09897	0.7
325.20184	22.7
326.20538	1.0
327.21753	100.0
328.22070	4.6
341.23395	1.2
397.13477	21.2
398.14203	0.4
415.14557	15.8
416.14774	0.6
481.31622	0.7
525.27588	0.4
545.30176	0.5
569.24341	2.1
617.40411	0.9
635.42175	0.9
636.26929	0.6
687.32220	4.1
695.34851	0.6
705.33392	18.4
706.33911	1.3
707.34882	7.0
723.34216	5.2
724.34979	0.6
725.36011	7.8
726.36444	1.0
853.49487	0.5
878.60132	0.4
879.46008	2.3
929.44336	0.6
937.07599	0.4
946.47638	4.1
1015.54865	29.5
1016.55243	3.6
1033.55896	14.6
1034.56323	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	1033.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
72.41445	0.8
73.02955	1.9
81.03454	1.3
83.01388	2.2
84.02168	0.9
85.02953	3.8
86.55093	1.1
87.00874	3.4
89.02452	14.2
95.01386	1.7
95.05032	1.1
97.02960	3.5
97.06534	1.0
99.92593	8.5
101.02433	10.3
102.32916	0.8
113.02461	5.8
114.93395	1.3
116.92859	49.5
117.92852	2.4
119.03496	4.1
121.06652	1.1
123.04527	1.7
123.08189	1.1
125.02436	4.6
125.09695	3.6
126.90508	11.8
134.89464	14.3
135.89429	0.9
137.09726	1.5
137.36327	0.9
143.03477	2.7
161.04605	4.1
163.11279	4.7
165.12756	4.2
171.10223	3.1
177.12813	1.1
179.05571	6.9
179.14398	1.6
181.12303	1.9
185.11798	4.1
189.16759	0.8
191.14406	5.9
193.15985	2.0
195.13991	1.1
197.11761	1.7
207.10344	1.5
209.11778	2.7
210.12233	0.9
218.28145	0.9
221.06679	1.3
223.13347	2.1
225.11371	1.4
229.55321	0.9
235.08179	4.0
237.11214	3.0
241.14389	2.6
245.19046	11.1
247.20573	4.2
253.09198	1.4
271.17166	1.1
273.18555	1.2
277.21524	1.1
287.07693	1.0
289.18079	43.2
290.18372	2.6
291.19647	53.2
292.20001	3.9
293.21283	8.4
294.21643	5.0
295.21750	2.0
305.17453	1.8
307.19144	57.0
308.19449	3.5
309.20697	100.0
310.20966	4.6
323.09790	2.5
341.23254	2.0
342.23663	1.6
375.23553	1.7
379.12433	2.8
397.13467	46.7
398.13864	3.1
415.14557	15.3
416.14886	1.5
581.38312	1.2
599.39404	1.8
669.31006	1.4
671.32971	1.5
687.32385	6.5
689.33691	3.4
705.33264	3.5
707.35187	1.5
853.42419	1.4
928.46515	2.9
961.51501	2.1
979.52625	10.7
980.53009	2.1
997.53687	10.1
998.55243	1.1
1033.51282	23.3
1034.51379	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	1031.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	1.2
73.02952	2.3
73.09163	0.3
73.14887	0.3
75.00854	0.4
78.95906	0.4
79.95741	0.4
80.02684	1.5
81.03455	2.3
83.01378	2.1
83.05016	5.1
84.02168	1.4
85.02950	5.2
87.00874	3.8
89.02444	14.4
93.03458	0.5
95.01395	1.5
95.05037	2.3
96.96017	5.3
96.96662	0.4
96.96890	0.4
97.02932	2.7
97.06592	2.4
97.44405	0.4
98.20730	0.3
98.95573	1.2
99.00896	1.9
99.04494	1.8
99.08146	1.1
99.92568	0.4
101.02442	14.0
106.04243	0.5
107.05063	0.6
108.02161	0.8
109.02970	1.3
109.06589	1.4
110.03717	0.5
111.00877	0.7
111.04489	0.7
111.08143	0.8
112.05280	1.3
113.02451	7.0
115.07652	1.9
115.92101	1.1
116.92861	2.4
119.03497	4.0
121.02953	1.4
122.03731	0.6
123.00897	0.6
123.04517	1.6
123.08168	2.0
124.01669	0.5
125.02445	4.1
125.06082	1.1
125.09718	6.9
126.90485	1.0
127.07658	5.2
127.11294	0.9
131.03447	1.0
135.04498	0.4
135.08156	4.0
137.09711	1.2
138.06862	0.7
139.04018	0.8
139.07625	1.6
141.01956	0.9
141.09218	1.5
143.03481	2.2
143.07127	0.6
149.04506	0.4
149.09685	0.7
151.07565	0.6
151.11288	0.4
153.09213	18.7
155.10762	2.4
161.04564	2.7
163.07645	0.3
163.11293	5.0
165.12842	3.6
171.10258	29.5
172.10616	0.6
177.09210	0.6
177.12827	0.4
178.09999	4.8
179.05620	6.4
179.10716	0.7
180.11417	0.4
181.12343	1.1
183.13841	1.0
185.11823	9.3
189.12888	0.4
191.10757	2.7
191.14426	2.0
193.12334	0.9
197.11832	9.3
201.11349	0.5
207.10225	1.4
209.11815	76.0
210.12143	1.9
211.13385	0.7
215.12613	0.4
217.07191	0.4
218.09456	0.5
219.10272	0.8
219.13893	1.5
221.06596	2.5
221.11873	1.0
223.13425	1.1
225.11385	0.6
227.12892	2.3
235.08151	2.8
235.20609	0.5
236.10501	1.3
237.11285	1.2
238.12103	3.1
239.12886	0.4
239.16595	0.5
245.19072	5.5
251.16408	0.4
251.20029	0.4
253.09163	0.7
253.14500	0.5
253.18199	0.5
256.13123	0.8
261.18646	0.4
263.07797	0.5
263.20142	2.0
265.18115	0.7
271.15262	0.5
279.19513	2.1
281.21097	1.2
287.07681	0.5
287.16611	0.8
289.18082	18.1
290.18399	0.7
291.19565	0.8
297.20764	3.2
305.08862	0.5
305.17462	1.9
307.19135	100.0
308.19455	4.3
309.20813	2.0
323.09888	0.9
325.20178	49.8
326.20438	2.0
327.21799	3.6
331.19583	0.4
337.20108	0.5
361.23648	0.4
379.12338	1.9
397.13498	23.5
398.13840	0.6
415.14545	8.7
416.15152	0.5
425.26382	0.4
443.27829	0.4
523.25116	0.4
525.27020	0.8
534.53918	0.4
543.27863	0.6
551.23340	1.2
569.24335	2.3
636.26111	1.4
651.28839	0.4
669.30615	0.4
687.32214	10.7
688.32910	0.7
703.32001	0.9
703.80804	0.5
705.33337	30.8
706.33752	2.8
707.34790	0.6
723.34393	6.4
790.35577	0.8
815.45746	0.5
833.47174	0.6
841.41217	0.8
855.43378	0.9
857.42151	0.7
859.43353	8.9
860.43896	1.2
871.42987	1.9
873.45557	0.7
877.43994	3.1
885.44739	1.3
889.44006	1.7
897.45038	1.4
899.46167	0.6
908.43622	0.5
915.46167	1.8
917.47583	0.9
926.45264	3.0
944.46356	5.5
945.45581	0.6
962.47528	1.1
977.51343	2.0
985.53394	0.9
995.52179	19.5
996.52600	2.4
1013.53302	26.9
1014.53851	3.8
1031.54504	9.9
1032.54736	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	1031.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51933	1.1
72.02161	1.0
72.99282	1.5
73.02946	4.5
81.03484	1.5
83.01391	2.1
83.05019	3.2
84.02152	2.6
84.34764	0.7
85.02928	7.5
87.00861	4.2
89.02448	18.2
95.01371	2.4
95.05004	2.0
96.95999	1.8
97.02964	4.9
97.06584	12.1
99.00877	8.3
99.92571	3.9
101.02439	16.8
107.05012	2.1
108.02178	0.8
109.06607	1.1
110.03710	1.1
111.00884	1.4
111.08160	1.6
113.02448	8.3
114.93408	0.8
116.92857	22.2
117.46754	0.9
117.92880	1.0
119.03475	5.1
121.10193	0.8
123.00841	1.0
123.04482	1.0
123.08148	3.4
125.02442	6.4
125.06085	31.6
125.09708	6.8
126.90497	3.2
127.07645	2.1
127.11317	3.8
135.04520	0.9
135.08139	2.3
137.09741	1.2
139.07655	1.7
141.09203	9.2
143.03490	3.1
149.04604	1.1
151.07600	2.4
153.09206	6.5
155.10750	1.9
161.04512	4.9
163.11290	6.0
165.09196	2.3
165.12849	6.3
167.10736	0.9
167.14262	0.7
169.08691	49.2
171.10258	30.0
174.88806	1.0
177.12752	1.3
178.09998	1.7
179.05624	6.7
179.14354	1.8
181.12335	2.9
183.10188	1.6
183.13849	0.8
185.11858	3.6
191.10826	1.4
193.12341	1.3
193.15944	1.8
197.11827	6.8
199.09769	1.4
199.13388	2.4
201.11314	78.5
202.11664	2.1
207.10286	4.3
209.11818	29.6
210.12064	1.0
211.13417	1.6
215.12756	1.1
221.06665	3.4
223.13425	2.1
225.11278	5.8
227.12801	1.1
235.08240	4.3
243.12325	1.6
245.19055	2.1
247.20692	7.2
253.09326	1.5
261.18616	1.1
263.07690	1.3
263.19980	1.0
273.18576	1.9
277.18051	0.9
279.19431	0.8
287.16489	3.2
289.18076	4.7
291.19650	64.9
292.20029	3.4
305.08688	2.1
305.17557	21.3
306.18005	1.2
307.19162	24.1
308.19632	1.0
309.20691	100.0
310.20959	3.1
323.09528	0.9
323.18573	4.4
323.22089	1.8
325.20169	10.8
327.21640	3.1
333.20517	0.8
341.19260	1.6
341.23291	26.6
379.12363	2.9
397.13507	44.5
398.13849	1.8
415.14551	22.4
569.24316	1.8
581.24335	1.7
599.25702	2.5
623.25708	0.9
685.30670	1.3
687.32202	2.7
689.33728	2.6
703.31897	5.7
705.33179	5.0
707.35004	1.8
708.34192	0.9
721.34521	2.5
723.34064	1.6
790.36633	1.2
829.43066	1.0
859.43140	3.8
915.45679	2.3
923.73016	0.9
933.47076	7.2
934.46948	1.0
961.00623	1.1
995.52020	8.3
996.53406	2.2
1013.53296	8.8
1014.53644	1.9
1031.54309	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	103.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.8
71.25488	1.1
75.00874	10.2
85.93005	3.3
93.21095	0.7
103.00379	1.4
103.92027	100.0
104.07095	0.7
110.88968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02947	14.7
89.02431	16.6
99.92567	15.1
101.02467	22.9
101.76410	9.3
107.71757	12.3
114.73153	9.5
116.92849	87.3
117.92889	16.8
126.90524	62.3
130.73196	11.2
134.89552	11.8
165.29744	9.6
174.99687	9.5
195.13864	13.5
235.08127	11.8
239.29933	10.5
282.12692	10.8
291.19849	11.8
293.21146	100.0
294.21558	81.1
295.21793	40.8
338.15146	10.7
341.23355	43.2
397.13483	31.6
398.13705	29.4
399.14145	18.1
415.14359	15.1
416.14926	14.8
550.73950	11.6
931.12872	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	1021.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	7.0
85.02934	4.2
87.00894	1.4
89.02449	4.7
96.95982	2.2
99.92577	4.3
101.02453	5.1
112.98548	3.2
113.02431	3.8
116.92107	1.6
116.92865	20.2
117.92876	2.8
119.03471	1.7
125.02449	3.8
126.90511	49.5
134.89478	8.9
135.64745	1.3
136.89175	3.2
143.03494	2.0
161.04599	2.2
171.10260	14.5
179.05577	3.5
183.13905	1.5
187.36034	1.2
192.87799	1.1
193.12230	1.1
211.13361	7.0
221.06714	1.4
229.14429	3.5
229.81563	1.2
233.92545	1.2
235.08177	2.1
277.21698	11.8
291.19516	3.1
293.21011	1.4
301.14429	1.0
301.38922	1.2
305.08710	2.0
309.20618	11.2
323.22488	1.5
327.21747	100.0
328.22098	4.2
397.13519	33.9
402.02631	1.3
415.14523	15.8
587.42920	4.5
675.35907	7.8
707.34882	29.5
708.35394	2.7
725.23462	1.6
725.36047	16.6
726.35522	1.5
985.57477	27.8
986.57166	4.0
1021.54858	44.8
1022.55408	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	1027.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	13.8
71.31954	2.1
73.02962	1.7
77.95625	1.0
82.32863	1.1
83.01385	1.6
85.02957	2.8
87.00890	3.7
89.02446	10.2
97.02933	2.1
101.02438	10.3
113.02430	5.3
116.92892	1.2
119.03497	2.8
125.02454	4.3
126.90513	1.6
134.89473	2.7
136.89139	1.1
142.86115	1.2
161.04541	1.6
163.11255	3.3
165.12888	4.6
179.05582	3.6
179.14429	1.8
193.16011	1.5
221.06688	1.8
223.13344	2.3
235.08247	3.2
247.20609	6.0
273.18668	1.5
277.21707	37.8
278.22015	1.6
291.19644	72.0
292.19971	4.6
305.08685	1.5
307.68112	1.1
309.20694	100.0
310.20981	5.0
323.09671	1.3
379.12433	6.9
397.13461	35.2
402.53625	1.3
415.14642	9.3
417.72269	1.0
468.58527	1.0
580.08258	1.2
671.32544	2.7
671.77197	1.2
675.35449	1.2
689.34198	2.4
695.67432	1.3
724.30847	1.2
767.23328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	1.7
73.02950	3.0
73.03302	0.5
75.00864	1.0
78.09492	0.4
80.02680	2.2
81.03446	3.3
83.01382	2.4
83.05027	6.8
84.02159	1.6
85.02956	5.7
87.00875	4.5
87.04533	0.5
89.02441	15.3
93.03417	0.8
95.01385	2.1
95.05014	2.5
96.96021	2.3
97.02958	4.4
97.06595	3.4
99.00882	2.2
99.04515	1.4
99.08143	1.0
101.02435	12.4
102.36947	0.5
106.04209	0.7
106.72204	0.4
107.05025	3.4
108.02155	1.3
109.02946	1.5
109.06577	2.1
110.03751	0.9
111.00861	1.9
111.04488	1.0
111.08141	1.1
112.05314	1.0
113.02453	7.7
113.06093	0.7
115.07633	1.0
116.92836	1.5
119.03502	4.6
121.02954	2.8
121.06580	0.7
122.03716	1.1
123.00859	0.6
123.04522	1.9
123.08148	2.4
124.01636	0.7
125.02451	5.4
125.06075	2.6
125.09724	10.3
126.90544	2.4
127.07645	3.3
127.11306	0.8
131.03505	0.9
133.02934	0.8
135.04492	1.5
135.08159	5.2
137.02425	0.8
137.06049	0.7
137.09673	0.7
139.03993	0.8
139.07625	1.2
141.01941	1.3
141.09169	0.6
142.02740	0.6
143.03444	2.3
143.07153	2.2
147.04562	1.1
147.11819	0.6
149.09737	0.5
151.03909	0.5
151.11279	0.9
153.09212	13.2
155.10768	1.3
161.04521	2.2
161.05864	0.5
161.09680	1.0
163.11281	9.9
165.09206	0.6
165.12839	3.6
171.10254	14.0
172.34213	0.5
176.08374	2.7
177.09163	0.9
178.09970	4.4
179.05606	5.8
179.07014	1.0
179.10689	0.9
181.12315	2.9
185.11815	9.1
187.09758	1.8
189.09099	1.0
190.09872	0.5
191.10776	5.2
191.14430	1.6
193.08571	0.5
193.12309	0.8
197.11823	16.0
202.91089	0.5
207.10263	8.3
209.11815	100.0
210.12074	2.7
211.13327	0.7
217.12354	1.1
219.10178	0.9
219.13846	0.8
221.06660	3.5
221.11743	0.9
225.11310	3.8
227.12854	1.3
235.08112	2.3
235.20612	0.5
236.10558	3.4
237.11319	1.4
237.14941	0.5
238.12054	2.4
239.12746	1.0
243.13953	0.5
243.17503	1.9
245.15472	0.8
245.19022	2.9
251.12750	0.6
253.14352	1.3
259.17017	0.8
261.18585	4.9
263.16458	0.6
263.20111	0.8
269.15448	1.5
271.15469	0.7
277.18103	2.6
279.19653	1.9
281.21252	0.7
287.16550	10.1
289.18088	9.4
290.18311	0.6
293.56415	0.5
295.19177	0.8
297.20688	0.8
303.16016	0.8
305.17563	46.8
306.17917	2.0
307.19138	47.2
307.40350	0.5
308.19449	2.7
309.20740	0.9
315.19263	0.5
323.10031	0.5
323.18619	12.4
325.20166	23.2
326.20413	0.8
327.21686	1.0
331.19290	0.8
333.20798	0.9
343.19016	0.5
345.20731	0.6
349.20038	0.7
361.19949	0.6
379.12332	1.3
397.13483	21.0
415.14621	7.7
441.26385	0.8
551.23511	0.8
569.24426	0.6
607.26233	0.7
636.26782	0.7
685.30737	5.0
687.32098	4.8
703.31781	18.6
704.31537	1.4
705.33411	13.9
706.33435	0.8
721.32758	3.0
723.34564	2.4
780.01904	0.5
828.38373	0.6
831.43536	0.6
853.42200	2.1
857.41650	5.2
869.41125	2.2
870.41174	0.5
871.41931	0.9
875.43237	1.5
883.42609	3.3
885.44220	3.3
887.43152	1.6
895.43420	1.2
897.44891	4.2
898.45831	0.6
901.44122	0.8
903.45941	0.8
912.15283	0.5
913.44446	3.5
915.45508	1.5
924.43555	3.7
931.45398	7.2
932.46368	0.9
942.44708	4.7
943.45526	0.5
960.46075	2.0
975.50134	2.9
993.33496	0.5
993.50537	38.6
994.51062	5.4
1011.51654	38.7
1012.51892	5.6
1029.52722	16.8
1030.52551	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	1017.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	8.8
71.01742	0.4
71.04966	0.6
72.01675	0.4
72.99256	1.0
73.02888	1.4
78.95866	0.4
80.02610	0.3
81.03444	0.6
83.01321	1.0
83.04980	0.7
85.02950	6.2
87.00868	2.0
89.02448	8.0
89.80984	0.4
95.01326	1.2
95.05003	0.7
96.95944	1.5
97.02956	2.2
97.06584	2.6
99.00839	0.7
99.92591	2.4
101.02446	7.2
109.02949	0.3
110.34537	0.3
111.00857	0.5
111.08121	0.4
113.02442	3.5
114.93369	0.6
115.92030	0.8
116.92863	7.0
117.92805	0.6
119.03480	2.1
123.04469	0.5
123.08099	0.6
123.53333	0.3
125.02450	3.0
125.05992	0.7
125.09635	1.3
126.90449	0.6
127.11186	1.5
127.11963	0.3
131.03409	0.6
136.84720	0.3
137.02347	0.5
137.09734	1.8
141.12762	0.7
142.02715	0.3
143.03419	1.5
153.99825	0.4
155.10695	0.9
161.04605	2.0
161.09618	0.4
163.11342	1.9
163.81061	0.4
165.09132	0.5
165.12839	4.2
167.14273	0.5
171.10262	15.7
172.10602	0.5
177.12766	0.7
179.05614	3.6
179.14320	1.0
181.12276	1.4
183.13934	2.5
185.11722	1.4
193.12175	0.7
193.15898	1.1
195.14049	0.3
197.11839	2.3
199.13304	0.5
201.11234	0.7
203.10616	0.5
207.10316	0.6
209.11873	2.7
211.13382	12.8
221.06645	1.9
221.11876	2.4
221.15385	0.4
223.13306	1.0
229.14421	9.3
235.08290	2.8
235.13275	0.4
239.12782	1.9
247.20663	3.4
253.09244	0.6
263.07687	0.6
273.18536	1.5
278.58566	0.4
287.07822	0.9
289.18066	0.4
291.19656	39.5
292.19934	1.4
293.21429	0.7
305.08838	0.8
307.19348	0.5
309.20694	53.9
310.21072	2.5
323.09796	0.8
327.21753	100.0
328.22195	3.8
343.21136	1.7
351.21823	0.5
397.13489	25.5
398.13937	0.9
415.14560	18.1
416.14993	0.8
545.29517	0.6
619.42157	2.5
689.33820	2.1
707.34869	9.4
715.11169	0.4
725.36096	6.5
904.96912	0.5
999.55383	0.7
1017.56873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01012	1.2
71.01381	18.0
72.99303	2.0
73.02958	3.7
75.00874	2.7
80.02682	0.9
81.03440	1.7
83.01391	2.3
83.05028	5.3
84.02190	0.8
85.02957	7.7
87.00878	4.7
89.02448	16.0
95.01380	1.7
95.05052	1.1
96.96010	1.9
97.02946	3.5
97.06567	1.1
97.93128	0.8
99.00863	0.7
99.92594	14.2
101.02440	12.9
103.00375	2.3
111.04506	0.8
111.08147	2.5
113.02457	7.9
114.93427	2.4
116.92861	75.7
117.01893	0.7
117.92864	3.6
119.03503	5.8
125.02463	4.5
126.90508	9.1
128.74881	0.7
134.89449	2.2
143.03484	2.6
149.04495	0.8
155.10828	0.8
161.04533	3.0
163.11281	4.3
165.12830	1.7
167.10732	1.2
171.10249	11.6
177.12805	0.8
179.05618	6.7
181.12325	1.0
183.13828	1.1
185.11844	1.5
195.13905	7.0
197.11832	0.9
205.12381	0.9
209.11824	75.4
210.12148	2.6
211.13387	4.8
221.06676	2.4
223.13423	6.0
227.12868	9.2
228.13478	0.8
229.14374	2.2
235.08224	4.3
249.14946	0.8
253.09291	2.0
256.13208	0.9
263.07782	1.2
275.20145	4.9
287.07800	1.1
289.18100	1.8
291.16315	0.8
291.19647	17.4
292.19986	0.9
293.21222	100.0
294.21506	4.4
305.08661	1.5
307.19131	9.4
309.20724	4.5
323.09848	0.9
325.20117	2.1
326.89426	0.7
327.21759	32.9
328.22086	1.3
367.07700	0.7
379.12408	2.9
397.13477	41.3
398.13873	2.0
415.14560	17.8
583.97900	0.7
683.39691	0.8
689.34143	1.4
705.33691	1.0
981.52563	1.0
1017.50317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.548
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01011	1.8
71.01381	25.1
71.51389	1.0
72.01263	1.2
72.99291	2.0
73.02957	2.8
75.67860	1.0
80.02673	1.2
81.03436	2.0
83.01380	2.5
83.05018	3.7
85.02946	6.1
87.00856	4.6
89.01935	1.8
89.02444	21.2
91.99900	1.2
95.01374	1.9
95.04971	1.4
96.96010	7.4
97.02942	4.1
97.06593	1.2
99.00876	2.4
99.04536	1.4
99.92570	2.2
101.02445	16.2
109.06577	2.8
111.00871	1.3
111.08160	1.8
113.02435	11.1
114.93431	1.7
115.07613	1.4
116.92865	13.1
119.03525	7.1
121.02928	1.9
123.08134	1.4
125.02451	5.4
125.09746	5.5
126.90488	3.7
127.07652	3.1
127.11320	2.4
131.03481	1.2
135.08156	2.2
139.03957	1.2
143.03459	3.0
143.07120	1.2
153.09229	10.9
153.12842	4.8
155.10768	3.0
161.04544	4.4
163.11270	5.4
164.15845	1.1
165.12836	3.7
167.10806	1.4
169.12273	1.0
171.10258	21.2
178.10083	1.9
179.05629	8.9
179.10818	1.3
179.14392	2.2
181.12300	4.2
185.11804	4.7
191.10713	1.2
191.14319	1.6
197.10197	1.7
197.11835	14.6
199.13307	3.2
207.10474	1.3
207.13776	2.2
209.11819	50.6
210.12030	1.8
215.12889	4.3
221.06636	3.2
227.12891	9.0
229.14409	9.0
235.08186	3.5
236.10507	2.6
238.11974	2.2
245.19058	4.1
247.20595	3.7
263.20175	2.5
273.18594	2.3
279.19760	1.3
281.21326	2.6
289.18097	14.4
291.19666	38.0
292.20203	2.5
293.21210	2.5
297.20779	4.3
297.26904	1.3
305.09103	1.3
305.17474	1.9
307.19135	71.0
308.19461	3.7
309.20688	100.0
310.21100	5.3
311.22452	1.6
323.09915	1.6
325.20187	30.2
326.20721	1.4
327.21686	2.4
379.12329	2.6
397.13480	36.1
415.14639	13.9
577.25122	1.7
625.26947	2.5
687.32172	10.6
689.33643	4.9
703.32324	1.2
705.33313	25.7
706.33020	1.6
707.35394	10.0
723.34100	4.8
726.85602	1.3
748.15179	1.2
861.45013	6.5
869.45386	1.5
881.45258	1.9
887.45569	3.8
899.46448	1.7
911.86639	1.2
917.47174	2.3
928.47083	3.7
979.52246	4.3
997.53741	35.7
998.53827	4.9
1015.54803	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	1014.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
75.54334	71.4
76.12824	75.0
128.17302	66.2
248.39433	76.7
259.27118	71.0
294.21637	100.0
338.78290	80.2
431.02597	78.8
523.33044	73.4
621.15161	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.548
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	20.3
71.05017	1.4
71.16315	0.7
71.16663	0.5
72.99302	1.5
73.02936	3.7
80.02678	1.0
81.03460	2.5
83.00983	0.3
83.01390	2.1
83.05032	3.6
84.02184	0.7
85.02952	5.5
87.00875	4.0
89.02443	17.8
93.03441	0.5
95.01391	1.4
95.05031	2.1
96.95973	0.4
97.02947	3.9
97.06590	2.3
98.03766	0.4
99.00876	1.2
99.04523	2.1
99.08150	0.5
101.02444	15.7
102.02763	0.5
106.04230	0.5
108.02168	0.7
108.71539	0.3
109.02955	0.8
109.06616	1.6
110.03735	0.9
111.00874	0.4
111.04519	0.6
111.08181	0.7
112.05300	0.7
113.02446	8.6
115.07640	1.2
116.92854	1.5
119.03513	4.8
121.02962	0.8
123.00898	0.6
123.04528	1.5
123.08173	1.4
125.02441	4.5
125.06071	1.1
125.09728	6.1
127.07629	2.4
127.11314	0.6
131.03514	0.9
135.08174	3.0
137.06027	0.5
137.09679	1.0
137.30350	0.3
138.06815	0.5
139.04041	0.5
139.07686	0.6
141.01924	1.3
141.09227	0.7
141.12888	0.8
143.03514	2.7
149.04529	0.5
149.09711	0.6
151.11308	0.6
153.09213	12.2
153.12796	0.8
155.10776	1.5
161.04572	3.5
161.09697	0.4
162.10481	0.4
163.11290	7.9
165.09215	0.9
165.12854	7.9
167.14395	0.4
171.10268	22.7
171.92177	0.4
172.10654	0.5
177.12863	0.9
178.09987	3.0
179.05589	6.5
179.10776	0.7
179.14435	2.1
181.12343	2.7
183.03194	0.3
183.13916	0.6
185.04521	0.5
185.11815	4.5
189.12866	0.5
191.10739	1.4
191.14392	1.5
193.15955	2.1
197.11824	6.6
207.10223	1.0
208.35350	0.4
209.11821	48.2
210.12167	1.7
211.13399	0.7
217.07132	0.5
219.13843	0.5
219.17570	0.6
221.06680	2.0
221.11830	1.0
223.13403	2.2
225.11327	0.7
227.12865	1.0
235.08182	3.6
236.10532	1.2
237.11310	0.9
238.12102	2.5
239.12753	0.4
239.16603	0.4
245.06816	0.4
245.19101	3.3
247.20679	7.5
253.09341	0.9
253.18152	0.4
256.13220	0.6
263.07751	1.0
263.20166	1.3
265.18286	0.4
271.17007	0.8
273.18680	2.5
279.19662	1.2
287.07663	1.3
289.18103	13.2
290.18390	0.6
291.19656	71.3
292.19983	3.2
297.20657	2.9
305.08731	1.2
307.19147	73.3
308.19455	3.2
309.20703	100.0
310.21075	4.4
323.09808	1.5
325.20181	37.6
326.20523	1.7
327.21793	1.0
333.20563	0.4
334.74496	0.3
335.22229	0.6
351.21835	0.6
379.12341	2.5
397.13516	34.5
398.13815	1.0
415.14554	15.1
416.14838	0.6
445.29825	0.8
525.27112	0.6
551.23590	1.0
569.24481	1.8
618.25537	0.5
636.26672	0.8
671.32538	1.0
687.32391	8.9
688.32977	0.9
689.34192	2.6
705.33398	21.1
706.33966	2.0
707.34790	1.7
723.34515	5.1
724.33887	0.6
871.43018	0.8
887.45703	0.4
889.46008	0.5
910.45483	0.5
928.46606	5.7
929.45844	0.7
946.46741	0.5
979.52570	3.6
980.53308	0.4
997.53772	29.9
998.54089	3.4
1015.54913	10.2
1016.55096	1.5
1037.14685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57507	0.3
71.01380	0.1
73.02940	0.8
80.96564	0.1
83.68102	0.1
90.93134	0.1
96.96043	0.3
97.93147	0.2
98.20683	0.1
99.92583	16.2
100.92590	0.5
114.93420	1.0
116.92860	100.0
117.01927	1.0
117.92867	2.4
126.90482	0.1
131.91554	0.1
134.86502	0.1
134.89473	0.2
183.94696	0.1
191.01982	0.1
209.11760	0.1
226.33676	0.1
327.21887	0.1
745.25153	0.1
810.58820	0.1
1003.45789	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	1005.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	0.1
71.52058	0.1
73.02940	1.0
74.94854	0.1
78.44321	0.1
88.98808	0.2
96.76992	0.1
96.96010	0.3
97.93139	0.4
98.95569	0.1
99.00850	0.2
99.92585	16.4
100.92596	0.5
103.00351	0.1
112.98579	0.4
114.93414	2.5
116.92860	100.0
117.01929	1.8
117.92867	2.8
118.92661	0.1
121.02982	0.1
131.91557	0.1
134.89485	1.1
136.89204	0.2
477.13556	0.1
487.19391	0.1
701.04718	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	1013.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	23.1
71.05035	1.1
72.99303	2.2
73.02944	3.9
80.02686	2.3
81.03461	2.9
83.01386	2.3
83.05022	5.7
84.02161	0.8
85.02950	7.2
87.00867	5.1
88.98798	1.0
89.02448	19.2
93.03458	1.3
95.01392	2.3
95.05015	2.4
96.96006	2.0
97.02943	6.2
97.06612	2.8
99.00877	1.5
99.92546	0.6
101.02446	17.8
106.04258	0.9
107.05030	5.2
108.02173	0.9
109.02950	0.9
109.06587	2.7
110.03716	1.0
111.00883	1.7
111.04484	0.9
111.08126	1.0
113.02452	9.9
113.06092	1.2
115.01296	0.5
116.92866	3.6
117.92848	0.5
119.03474	4.7
121.02934	3.2
123.04485	1.5
123.08170	2.0
124.01674	0.7
125.02463	7.4
125.06104	2.0
125.09715	10.9
126.90536	2.6
131.03531	1.3
133.02951	0.8
135.04549	1.5
135.08159	6.8
136.05328	1.0
136.83174	0.5
137.06100	0.7
137.09727	1.5
141.01927	1.2
141.12856	0.6
142.02733	0.8
143.03453	3.3
147.04492	1.2
149.04688	0.6
151.11296	0.9
153.09207	9.2
161.04530	4.0
161.05861	0.9
163.11288	13.5
165.09146	0.9
165.12836	10.4
166.10089	0.6
171.10269	3.6
176.08392	3.6
177.09190	1.1
178.10004	2.1
179.05626	7.2
179.07076	1.1
179.10750	0.6
179.14381	3.0
181.12329	4.6
185.11847	3.1
187.09714	1.0
189.12772	1.1
190.09973	0.8
191.10796	4.3
191.14406	0.6
193.12294	0.9
193.15970	2.1
195.14012	0.6
197.11823	15.3
197.13574	1.1
198.12172	0.7
207.10278	10.4
207.13893	0.7
209.11816	79.1
210.12201	2.1
211.13339	0.8
217.12309	2.0
221.06680	3.5
221.11713	0.6
223.13441	3.2
225.11349	4.8
235.08092	3.0
236.10574	1.9
243.17558	1.8
245.15503	1.6
247.20659	9.8
248.20786	0.6
259.17288	0.7
261.18549	4.2
263.16458	1.1
269.15353	1.3
273.18622	3.0
277.18100	3.8
279.19681	2.1
287.07635	0.8
287.16489	13.6
288.16727	0.7
289.18207	1.2
291.19650	82.0
292.20038	3.8
293.21692	0.6
295.19348	1.2
305.17575	74.3
306.18018	3.5
307.19141	2.4
309.20697	100.0
310.20944	3.6
315.19547	0.6
323.10065	1.0
323.18607	19.1
327.21497	1.0
333.20547	0.8
359.02090	0.6
379.12433	2.0
397.13492	31.4
398.13742	1.3
415.14557	13.8
416.14767	0.6
523.25360	0.6
533.79388	0.6
567.23260	0.8
595.25946	1.0
607.26038	1.0
685.30811	9.3
686.31116	1.0
689.33911	2.5
703.31824	25.6
704.32025	2.0
707.35156	1.6
721.32642	3.3
815.46448	0.7
869.41858	2.1
887.44702	1.0
915.45746	6.3
916.45410	1.1
926.45520	2.0
944.46149	1.8
977.51642	6.5
995.52148	75.9
996.52515	10.1
1013.53278	23.4
1014.53131	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	1001.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26114	0.4
70.26504	0.5
71.01382	10.7
72.99315	0.9
73.02951	1.4
75.00847	0.3
78.95871	0.2
80.02676	0.2
81.03443	0.5
83.01398	1.1
83.05009	0.6
84.02171	0.2
85.02948	6.6
87.00874	2.2
88.82775	0.2
89.02443	9.5
90.49475	0.2
95.01385	0.9
95.05014	0.6
96.96001	0.7
97.02943	2.3
97.06578	2.6
99.00867	0.7
99.04537	0.3
99.92579	1.7
101.02440	7.6
107.05041	0.2
109.02952	0.3
109.06598	0.2
111.04503	0.4
111.08142	0.5
113.02451	4.2
113.09739	0.3
114.93391	0.6
116.92862	12.2
117.92887	0.5
118.92764	0.2
119.03493	2.6
121.10310	0.2
123.08154	0.4
125.02439	2.7
125.09727	0.9
126.90479	1.0
127.11302	1.1
131.03477	0.5
137.09740	1.1
139.04037	0.3
141.01955	0.2
141.09288	0.2
143.03529	1.2
145.51231	0.2
149.04485	0.3
155.10785	1.1
155.14339	0.2
161.04572	1.8
163.11292	0.3
165.09238	0.2
165.12862	1.0
167.10765	0.3
167.14368	0.5
171.10263	15.5
172.10608	0.4
174.10902	0.2
177.12805	0.9
179.04161	0.2
179.05609	2.8
179.14409	0.5
180.79222	0.2
181.12347	0.4
183.13899	2.7
185.11826	1.1
193.12306	0.8
195.13892	5.5
196.14656	0.4
197.11830	0.5
199.13371	0.2
200.06104	0.2
201.11307	0.8
203.10732	0.4
205.12309	0.4
205.16023	0.3
209.11839	1.6
211.13387	12.9
212.13785	0.5
217.07028	0.2
221.06691	1.3
221.11832	2.0
223.13376	3.2
225.14890	0.4
227.12849	0.3
228.13774	0.5
229.14429	10.3
230.14703	0.3
231.21114	0.3
235.08240	2.5
239.12863	1.6
247.20573	0.4
253.09290	0.8
256.13187	0.6
263.07800	0.3
275.20166	2.6
287.07761	0.7
291.19681	4.1
292.19922	0.4
293.21225	50.6
294.21533	2.5
305.08801	0.9
307.19205	0.2
309.20703	9.3
310.21042	0.4
311.22208	0.4
317.20889	0.3
323.09912	0.7
327.21753	100.0
328.22098	4.9
351.21875	0.3
351.33240	0.2
379.12494	0.4
397.13507	25.9
398.13922	1.3
415.14560	21.3
416.14886	0.8
603.42743	4.4
604.43219	0.7
654.27515	0.4
673.33429	0.3
691.35352	5.3
692.35596	0.5
707.34943	9.9
708.35138	0.9
725.36047	7.8
726.36249	0.7
731.62537	0.2
845.41394	0.2
897.31146	0.2
1001.57361	2.4
1002.56427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	7.8
69.07069	22.1
69.82457	2.6
71.04996	4.5
73.02913	2.9
73.06569	0.5
77.03931	1.8
79.05008	1.4
79.05493	58.3
81.03421	10.3
81.07056	79.3
83.04985	9.3
83.08621	11.7
84.27623	0.5
85.02906	10.1
85.06540	3.0
87.04451	0.6
91.03971	3.2
91.05482	45.9
93.07045	67.7
95.04967	12.0
95.08608	49.1
97.02894	7.6
97.06527	9.8
97.10165	4.7
98.21488	1.1
99.04462	1.8
99.08102	2.9
103.05463	1.8
105.04525	1.9
105.07031	33.1
107.04959	6.3
107.08598	40.4
109.02876	2.4
109.06534	5.0
109.10156	20.2
111.04455	1.4
111.08099	4.0
113.06015	0.7
113.09676	0.7
115.05468	1.2
117.07013	17.2
119.08582	24.4
121.06519	3.2
121.10147	23.5
123.08062	4.1
123.11710	6.7
125.09612	2.9
127.03915	4.4
127.07600	0.6
128.06241	1.8
129.05553	1.2
129.07007	6.0
130.07787	0.8
131.08575	22.4
133.06497	1.8
133.10132	20.2
135.08092	2.9
135.11699	17.3
137.09619	2.9
137.13263	0.8
139.11188	1.0
141.06989	1.8
143.08571	4.5
145.04977	2.6
145.06444	1.1
145.10127	17.4
147.08067	1.9
147.11684	10.9
149.09619	7.8
149.13258	10.9
151.11182	1.9
155.08556	2.0
156.09361	0.6
157.10139	4.3
159.08066	0.7
159.11693	13.5
161.09634	1.8
161.13255	6.0
163.06042	1.1
163.11153	5.7
163.14815	2.2
165.12808	1.6
169.10133	2.5
171.11752	3.8
173.04443	3.0
173.09647	1.2
173.11783	1.2
173.13248	7.1
175.11188	1.2
175.14821	1.7
177.12766	2.6
177.16409	0.7
181.10188	0.7
181.12221	0.9
183.11682	2.8
185.13249	2.9
187.11212	0.8
187.14775	2.8
189.11153	1.4
189.12726	1.1
189.16341	1.0
194.79921	0.6
195.11778	0.9
195.13808	2.9
197.13292	1.7
199.14874	1.6
201.16458	1.3
211.14928	1.0
213.12717	0.7
213.16505	1.0
215.17947	1.2
217.15907	0.8
223.13391	2.0
227.12776	2.8
229.14276	3.0
229.19485	1.5
235.17014	0.7
239.18008	2.2
241.19626	1.0
243.21101	3.1
247.20604	1.2
249.18639	0.6
255.15851	6.3
257.19049	6.2
259.20654	2.4
261.22168	12.4
263.23618	0.7
267.15967	1.9
269.17465	20.2
275.20071	20.2
279.23056	0.7
285.22153	0.6
293.21133	4.3
309.20850	1.9
313.21643	0.8
317.24777	1.9
331.22607	1.6
333.24103	1.5
335.25803	100.0
336.26434	0.7
349.23712	20.5
351.25836	0.9
367.24811	6.4
413.21735	2.1
419.24319	0.8
437.34326	1.0
455.34967	1.3
489.35950	3.7
493.27838	0.8
505.35269	0.7
511.29044	0.7
511.37598	0.8
515.37335	22.3
527.37170	0.7
529.38904	79.5
530.39240	1.8
539.36963	0.9
543.39191	0.7
547.40002	0.8
551.41382	0.7
569.42035	7.2
571.40295	0.6
588.11005	0.6
591.43823	0.8
609.45160	36.5
610.45428	1.4
627.46167	18.9
633.39783	0.7
637.40485	0.8
673.42719	4.0
753.48712	1.9
771.50549	3.0
883.62219	0.7
986.57043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	1.6
69.06687	0.5
69.07066	9.0
70.00646	0.4
71.04988	1.7
71.08633	0.8
73.02941	2.1
73.03261	0.4
77.03915	1.0
79.05493	27.5
80.05829	0.5
81.03413	1.8
81.07056	28.7
83.04972	1.5
83.08614	6.1
85.02905	6.9
85.06533	1.7
87.04468	0.8
89.06025	1.4
91.03961	4.3
91.05480	31.6
93.07044	29.5
95.04987	3.2
95.08606	24.2
97.02896	4.1
97.06570	2.2
97.07092	0.3
97.10152	3.3
99.04472	0.8
99.08105	0.7
103.05476	1.3
105.04519	1.2
105.07032	29.4
107.04937	1.2
107.08593	17.8
109.02784	0.4
109.06539	2.0
109.10156	10.1
111.08097	1.8
113.09656	0.4
115.03877	0.5
115.05441	2.7
116.06244	0.9
116.62038	0.4
117.07015	15.6
119.06129	0.6
119.08578	24.2
120.08103	0.4
121.06500	1.1
121.10144	12.1
121.20709	0.4
123.08094	1.9
123.11702	2.5
125.09628	1.1
127.03893	1.8
128.06236	2.9
129.05547	0.5
129.07001	11.0
130.07780	1.5
131.08569	20.6
133.08560	1.0
133.10127	16.6
135.08073	1.3
135.11684	7.0
137.09561	1.0
137.13321	0.7
141.06990	5.0
142.07805	2.4
143.08554	12.2
144.09344	1.1
145.04955	1.6
145.10124	19.4
145.86732	0.4
146.10928	0.4
147.08109	0.7
147.11681	11.8
147.12810	0.8
149.09631	1.2
149.13268	3.7
151.11105	0.5
151.14824	0.7
152.06247	0.4
153.07019	1.1
154.07811	1.3
155.08556	8.0
156.09380	1.3
157.10136	12.5
159.08099	0.6
159.11696	13.4
161.09615	1.2
161.13272	5.5
163.06024	2.9
163.11191	1.1
163.14812	1.4
165.07053	0.9
167.08548	3.3
167.10727	0.5
168.09387	1.1
169.10124	9.6
170.10887	0.7
171.11687	11.6
173.09645	0.6
173.13266	8.3
174.04510	0.4
175.09724	0.5
175.11205	0.7
175.14812	2.6
177.11192	0.5
177.12668	0.5
177.16422	0.6
179.08607	1.4
180.09404	0.7
181.10110	4.4
182.10889	0.6
183.11691	11.6
184.12486	1.1
185.09729	0.5
185.11650	0.6
185.13235	7.5
187.11200	0.9
187.14859	4.1
189.12737	1.0
189.16425	1.3
191.08662	0.5
192.09346	0.6
193.10059	1.9
194.10918	0.7
195.11694	6.0
197.13261	7.3
199.09605	0.5
199.13179	0.8
199.14819	5.2
201.16441	2.0
203.14302	0.5
203.18027	1.2
205.10193	0.6
207.11719	2.4
208.12520	0.8
209.13275	6.4
209.15138	0.7
210.13977	0.5
211.14818	4.8
213.12766	0.7
213.16475	3.5
215.14400	0.5
215.17960	1.6
217.19632	0.5
219.11662	0.8
221.13336	2.2
222.14114	0.4
223.14816	3.5
225.16409	2.7
227.14491	0.7
227.16196	0.8
227.18002	1.7
229.16031	0.6
229.19496	0.8
231.17432	0.5
233.13254	0.7
235.14809	1.5
237.16376	2.9
239.18040	3.6
241.17542	0.6
241.19836	2.2
243.20972	0.4
247.14861	0.8
249.16428	0.8
251.18008	1.7
253.19536	1.2
255.17363	0.6
257.18988	3.0
259.20532	4.9
261.22211	1.2
263.17935	0.6
265.19730	0.9
267.21146	1.2
269.18933	0.6
271.20557	0.9
273.22430	0.5
275.20200	0.8
277.19232	0.5
277.21902	0.6
279.21320	0.7
283.20551	0.7
285.22125	0.5
290.90952	0.4
293.22324	0.6
295.20285	0.7
297.22052	1.0
307.20471	0.7
309.22067	0.8
311.20413	0.4
311.23868	1.0
313.21622	0.7
315.23407	1.1
323.23737	1.7
325.25183	0.7
327.23288	0.6
331.22815	1.0
333.24338	4.1
335.26102	2.4
337.25201	1.2
339.23227	1.0
341.24719	0.9
349.24841	1.0
351.26801	1.4
353.24860	0.8
355.26379	0.5
363.26706	0.6
365.28531	1.2
369.27835	0.9
377.28510	0.7
379.26160	0.6
379.30377	0.9
381.27881	0.7
385.23831	0.5
391.30106	0.7
393.31842	0.5
405.31644	0.6
407.28979	0.8
409.31155	0.9
411.28796	0.6
421.30649	0.9
423.32407	0.6
425.30731	0.6
429.31924	0.5
433.30515	0.8
435.32428	0.4
437.34769	0.5
447.32248	1.4
449.33871	0.8
461.33728	0.9
465.33798	0.9
473.32764	0.9
483.34924	0.7
485.33362	0.6
487.34155	1.6
499.33209	0.5
499.39581	1.6
501.35602	1.9
507.35208	0.6
509.36548	0.5
513.36035	1.4
515.37622	1.4
517.40503	7.2
521.36255	0.9
523.38129	0.5
525.35638	1.0
527.37531	0.9
535.41565	4.4
539.37067	2.2
541.38959	1.2
553.40155	0.4
555.41382	0.6
567.40668	0.6
573.42853	1.2
581.42609	0.6
589.41913	0.5
591.44019	11.0
592.44934	0.5
607.43884	1.1
609.45129	100.0
610.45459	2.6
621.44800	0.9
633.45166	0.9
645.44983	0.5
651.46222	1.6
675.45398	0.6
693.46741	0.7
699.46033	1.4
717.47156	1.6
735.49133	2.1
753.49036	2.2
771.50311	8.4
772.50592	0.6
826.56000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	5.7
69.07068	16.9
69.29536	1.9
69.29969	1.9
71.01350	0.9
71.04988	3.7
71.08628	0.9
73.02925	2.4
73.06547	0.6
77.03950	0.7
79.05494	48.5
80.46745	0.5
81.02975	0.3
81.03418	8.3
81.07056	75.5
83.04983	7.4
83.08620	10.2
84.24545	0.5
85.02905	8.5
85.06541	4.0
87.04480	0.6
91.03963	3.4
91.04597	0.9
91.04895	1.0
91.05480	34.5
93.07043	55.9
95.04971	8.1
95.08607	40.9
95.09236	0.7
96.04498	0.5
97.02888	6.1
97.06532	9.8
97.10164	4.4
99.04462	1.5
99.08098	2.2
103.05488	1.2
105.04531	1.6
105.06305	1.0
105.07029	28.0
107.04978	4.2
107.08596	35.1
109.02879	1.7
109.06510	4.2
109.10160	18.3
109.48320	0.4
111.04414	0.8
111.08073	4.6
113.05987	0.6
113.09664	1.1
115.05482	1.7
117.07010	13.9
117.08320	0.5
119.08587	22.0
121.06534	2.0
121.10143	23.8
123.08059	3.4
123.11703	5.9
125.09650	2.9
127.03931	4.1
128.06239	1.3
129.05486	1.5
129.07024	4.6
130.07816	1.3
131.04976	0.5
131.08571	17.7
133.06461	1.0
133.10133	19.8
135.08067	3.2
135.11694	17.0
137.09650	1.6
137.13274	1.5
139.11189	1.0
141.07019	0.8
142.07796	0.7
143.08588	3.8
144.09302	0.5
145.04980	2.3
145.06485	1.0
145.10126	14.7
147.08089	1.4
147.11690	10.7
149.09628	6.4
149.13263	13.2
151.11169	2.4
153.12767	0.8
155.08548	2.1
157.10130	3.5
159.08102	1.2
159.11688	12.3
161.09612	1.1
161.13269	5.9
163.06023	1.6
163.11195	3.4
163.14822	2.9
165.09030	0.8
165.12759	1.1
169.10159	1.8
171.11705	3.4
173.04539	2.5
173.09590	0.5
173.13245	7.3
175.11168	1.0
175.14845	1.9
177.12701	3.3
177.16435	0.8
179.14299	1.3
181.10185	0.8
181.12233	0.9
183.11696	2.5
185.13229	2.1
187.11276	1.1
187.14786	2.7
189.11237	0.8
189.12895	0.7
189.16420	1.1
191.14326	1.0
195.13777	3.7
197.13277	1.9
199.14899	1.3
201.12833	0.7
201.16425	1.0
203.14200	0.6
205.12234	0.6
209.13438	0.6
211.14891	0.6
213.14871	0.9
215.14330	0.6
215.18130	0.6
217.15891	0.7
217.19493	0.6
227.12822	1.7
229.14304	0.8
229.19682	0.9
233.15453	0.6
235.16885	0.6
237.16425	0.6
239.17984	1.7
241.19809	0.6
243.21141	2.4
247.20590	0.9
251.16446	1.1
253.14374	0.9
255.15889	7.1
257.19052	5.5
259.20609	2.2
261.14917	0.6
261.22174	11.7
267.15942	2.2
269.17468	31.5
273.18747	0.5
275.20059	16.9
277.21725	0.9
291.19611	1.0
293.18024	0.7
293.21103	3.2
294.39569	0.5
299.23764	0.5
303.15851	0.8
303.23141	0.6
309.20654	1.6
315.23083	0.6
317.24692	2.4
321.17172	0.5
331.22824	1.9
333.24261	1.8
335.25797	87.5
336.26157	1.7
337.27420	0.9
339.17807	1.0
349.23746	18.7
367.24829	5.5
383.22189	0.5
396.39188	0.4
413.21725	2.3
437.34079	1.8
455.35239	0.9
473.36588	0.6
489.35696	1.6
493.27930	0.5
505.35614	1.1
511.28931	0.9
511.37677	1.9
515.37329	19.4
529.38898	100.0
530.39203	2.4
533.38971	0.5
543.40826	0.7
545.38306	0.9
547.40076	1.3
569.41956	5.4
595.40350	0.7
609.45105	32.6
610.45715	1.0
627.46136	13.7
637.40814	0.9
649.39001	0.7
655.41974	0.6
673.43152	3.6
691.43597	0.9
735.48059	0.5
753.48395	1.0
771.50189	2.8
959.73718	0.5
1011.45715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	1.9
69.07072	10.3
69.07420	0.4
71.05000	2.1
73.02885	0.7
77.03908	0.6
79.05493	25.7
80.20750	0.3
81.03419	2.1
81.07056	31.7
83.04983	5.0
83.08617	12.3
85.02908	3.7
85.06499	0.9
91.03976	1.5
91.05480	20.9
93.07044	30.3
95.04971	23.5
95.08607	24.7
97.02913	1.6
97.06536	3.8
97.10165	4.8
99.04436	2.4
99.08060	0.9
103.05439	0.6
105.04461	0.9
105.07030	16.6
107.04333	0.4
107.04961	5.1
107.08591	20.9
109.06516	3.5
109.10159	11.4
111.04437	4.1
111.08079	2.6
111.11678	0.4
113.09669	0.3
115.05397	0.6
116.06197	0.4
117.07007	7.2
119.06089	0.4
119.08585	13.2
121.06496	2.7
121.10146	13.2
123.08087	2.1
123.11706	3.0
125.05932	0.5
125.08766	0.4
125.09618	4.5
127.03862	0.5
128.06160	0.4
129.07022	2.1
130.07741	0.4
131.07632	0.5
131.08571	9.8
133.06418	0.8
133.09148	0.5
133.10133	10.5
135.08063	2.7
135.11700	9.7
137.09618	1.9
137.13193	0.5
138.05476	0.3
139.11157	0.8
141.06940	0.8
143.08514	1.5
145.04927	0.5
145.06430	0.6
145.10129	10.9
147.08047	1.5
147.11693	5.9
149.09616	10.6
149.13243	2.9
151.11147	1.0
153.09079	0.5
153.12735	0.7
155.08461	1.1
157.10129	2.0
159.11699	6.3
161.09587	1.7
161.13268	2.9
163.05913	0.4
163.11192	11.3
163.14771	1.1
165.12704	1.4
169.10104	1.3
171.10083	0.8
171.11664	1.5
173.09645	0.8
173.11810	0.6
173.13216	3.0
175.11124	0.9
175.14775	1.3
177.12773	1.9
181.12196	1.1
183.11649	1.0
185.13289	0.8
187.11156	1.1
187.14828	1.2
189.11229	3.4
189.12746	0.7
191.10568	0.4
191.14244	0.6
193.12224	0.5
193.15634	0.3
197.13248	1.0
199.14732	0.4
201.16367	0.8
205.12276	2.0
211.13205	0.5
215.14322	0.5
215.17885	0.5
219.13785	0.4
223.13289	14.9
227.12756	1.0
229.12003	0.3
229.19481	1.8
233.22690	0.4
239.18018	1.6
243.21112	1.7
247.20607	0.7
255.15810	0.5
257.19022	3.3
259.20496	0.5
261.22119	4.0
269.17505	1.2
273.18497	0.5
275.20068	22.8
276.20297	0.4
291.19336	0.4
293.21130	17.3
311.22162	0.8
315.22980	0.4
317.24841	1.6
331.22684	0.6
333.24280	0.9
335.25800	90.6
336.26215	1.3
337.27197	0.3
349.23715	11.9
353.90854	0.3
367.24796	29.3
368.24963	0.5
404.30655	0.3
501.35406	0.7
515.37170	1.9
529.38879	3.7
553.42493	0.4
557.38373	0.4
569.42035	0.5
609.45135	24.0
610.45361	0.4
627.46173	100.0
628.46478	2.8
645.47253	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	986.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	4.2
69.06725	1.0
69.07075	12.0
69.36079	4.6
71.04991	2.3
73.02918	0.8
77.03957	0.5
79.05499	45.2
81.03447	3.3
81.07062	42.2
83.04996	4.4
83.08627	14.2
85.02903	4.3
85.06557	2.1
91.03967	2.3
91.04902	1.2
91.05488	29.8
93.07050	37.0
95.04967	4.0
95.08613	27.7
97.02905	2.9
97.06532	4.2
97.10175	24.8
99.04472	0.5
101.05962	0.6
101.09650	0.7
103.05456	0.7
105.04559	1.4
105.07041	23.4
107.04959	4.3
107.08601	47.8
109.02878	1.2
109.06509	3.4
109.10163	16.8
111.08083	3.2
115.05449	0.8
116.48080	0.5
117.07034	8.9
119.06062	0.8
119.08595	15.5
121.06534	1.3
121.10154	15.8
121.11037	0.8
123.08093	1.8
123.11714	5.5
125.09637	21.1
127.03912	2.0
129.07019	3.4
131.08578	12.0
133.09143	0.8
133.10147	15.2
134.91165	0.7
135.08069	4.6
135.11699	9.5
137.13293	1.5
141.06995	1.7
143.08548	3.3
143.10654	0.8
145.04979	1.0
145.06496	1.1
145.10133	13.7
147.08037	0.7
147.11716	11.4
149.09653	5.6
149.13280	4.6
151.11226	0.7
153.09160	1.3
153.12741	1.0
155.08621	1.1
157.10193	2.5
159.11697	7.6
161.09663	1.0
161.13249	6.1
163.11217	2.2
163.14838	2.1
169.10190	1.9
171.10210	2.2
171.11749	4.2
173.09642	0.8
173.13263	5.8
175.14891	2.4
177.12775	1.2
177.16414	0.6
179.14474	0.8
183.11722	2.2
185.13298	3.1
187.11159	0.8
187.13347	0.9
187.14880	2.4
189.11243	10.6
191.14348	0.6
195.11737	0.9
197.13347	2.2
199.14883	0.8
201.16484	1.5
213.16454	0.9
215.18028	1.1
227.12793	25.6
229.19682	1.1
237.16443	0.6
239.18010	1.7
240.38914	0.6
241.19598	1.6
243.15961	0.8
243.21074	3.0
245.13911	1.2
253.93924	0.5
257.19034	7.0
259.20511	3.9
261.22174	10.8
273.18637	1.0
275.20096	24.6
277.21677	1.1
291.19626	1.2
293.21078	0.6
299.20255	0.7
313.21579	0.9
315.23068	0.7
317.24948	1.9
331.22662	5.6
333.24237	2.9
335.25821	70.7
336.26141	1.8
337.27774	0.6
349.23740	34.6
351.25366	2.9
365.23685	0.8
367.24835	1.5
367.30069	1.6
385.31223	0.9
389.18274	2.5
414.83298	0.7
423.32352	0.6
441.33762	0.6
487.34235	2.7
505.35239	14.4
505.42664	0.9
515.37335	1.3
517.40723	1.0
529.39594	0.5
535.41425	2.8
545.38483	0.7
553.42596	1.6
591.43866	2.0
609.45160	100.0
610.45514	2.9
627.46216	21.0
628.46759	0.7
631.37689	0.8
649.39429	4.6
771.49994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.5
69.07072	10.6
70.23466	0.8
70.23862	0.7
71.04990	2.8
73.02883	0.7
76.89951	0.4
77.03895	0.8
79.05495	33.6
81.03422	3.3
81.07058	38.2
83.04977	5.9
83.08621	16.8
85.02906	5.1
85.06548	2.1
87.04400	0.6
91.03954	1.9
91.05483	24.0
93.07047	37.9
95.04974	38.2
95.08609	27.7
96.05251	0.5
97.02892	2.7
97.06538	4.7
97.10161	7.5
99.04459	3.4
99.08051	1.0
103.05439	0.9
105.04457	1.1
105.07036	21.1
107.04209	0.5
107.04957	6.3
107.08599	24.4
109.06507	4.9
109.10161	14.7
111.03744	0.5
111.04448	6.1
111.08079	4.7
113.09613	0.5
115.05433	0.8
117.06268	0.6
117.07024	8.0
119.08584	15.9
121.06527	3.7
121.10151	18.2
123.07320	0.4
123.08071	3.9
123.11711	3.4
125.05939	0.6
125.09635	6.4
125.27967	0.4
127.03869	0.8
128.06151	0.5
129.07018	3.3
130.07700	0.8
131.08568	13.3
133.10132	13.1
135.08080	3.6
135.10715	0.7
135.11690	10.2
137.09674	2.5
137.13220	0.6
139.11163	2.0
141.06934	1.1
143.08604	2.4
145.04901	0.8
145.06444	0.9
145.10126	15.7
147.08028	3.0
147.11687	7.9
149.08424	0.8
149.09624	15.3
149.13249	3.8
151.11172	2.1
153.09056	0.8
153.12695	1.1
155.08485	1.2
157.10115	2.1
159.08023	0.8
159.11699	8.5
161.09579	1.7
161.13264	3.5
163.06015	0.6
163.11189	17.8
163.14781	1.2
165.12808	2.0
169.10193	1.8
171.10280	0.4
171.11655	1.6
173.09540	1.2
173.11749	0.9
173.13210	3.8
175.11166	1.5
175.14848	1.1
177.12805	2.7
177.16336	0.5
179.10555	0.5
181.10071	0.4
181.12219	1.5
183.11664	1.5
185.13290	1.1
187.11200	3.0
187.14774	1.5
189.09868	0.5
189.11249	5.5
189.12733	0.8
191.10609	0.8
191.14458	0.5
193.12227	0.4
197.13235	1.5
199.14816	0.8
201.12675	0.7
201.16481	0.5
205.12222	2.2
207.13695	0.7
211.13181	0.6
213.16435	0.7
215.17819	0.8
223.13303	25.3
227.12749	1.4
229.14355	1.3
229.19452	1.7
239.17882	2.6
243.21057	1.5
247.20534	1.2
255.15926	0.6
257.19034	5.4
259.20563	0.7
261.22168	4.8
269.17438	0.9
273.18509	0.7
275.20071	37.6
276.20291	0.5
277.21655	0.6
293.21115	27.2
311.22290	0.7
317.24924	1.9
331.22711	0.6
333.24149	0.6
335.25803	73.0
336.26166	0.8
337.27142	0.6
347.22073	0.5
347.75931	0.4
349.23721	16.6
367.24805	54.0
368.25427	0.5
455.65796	0.4
476.22244	0.4
489.35565	1.4
515.36926	0.9
529.38647	1.6
535.41425	0.5
557.38177	0.7
569.42578	0.5
609.45142	20.8
610.45325	0.6
627.46204	100.0
628.46655	1.9
645.47021	3.2
910.13776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	4.5
69.07068	15.5
70.06578	1.3
71.04988	5.0
71.53245	1.4
72.24014	1.3
77.03918	2.1
79.05496	53.9
81.03417	12.0
81.07059	89.3
82.09000	1.2
83.04993	13.0
83.08624	17.7
85.02890	4.2
85.06534	3.3
86.09711	1.7
91.05484	46.1
93.06487	2.7
93.07047	38.4
95.01344	3.9
95.04976	21.4
95.08614	22.9
97.06554	8.4
97.10176	23.2
99.04436	3.2
99.08099	1.9
105.03405	1.6
105.04526	2.7
105.07030	30.5
107.04960	25.1
107.08598	29.3
109.06527	21.8
109.10160	14.7
111.04446	12.2
111.08083	8.6
115.05431	2.7
116.06246	1.4
117.07024	20.3
119.04961	1.5
119.08588	36.4
121.06508	12.6
121.10155	16.1
123.04419	2.2
123.08075	21.0
125.09638	21.2
128.06227	3.8
129.07027	10.5
131.04892	2.4
131.08572	23.7
132.05710	1.3
133.06488	4.9
133.10143	13.7
135.08076	10.5
135.11697	15.2
137.09622	5.9
141.07010	2.4
142.07788	1.9
143.08580	12.3
145.06444	5.0
145.10127	27.4
147.08044	15.7
147.11703	9.5
149.09639	13.1
149.13326	1.6
153.09100	5.3
153.12721	4.0
155.08562	4.4
157.06531	2.0
157.10094	7.7
159.08025	3.5
159.11696	8.3
161.09604	15.2
161.13283	2.6
163.11153	18.2
165.09117	4.9
166.72588	1.5
169.10095	5.1
171.08040	1.7
171.10268	2.9
171.11691	9.0
173.09627	9.1
173.11539	1.3
173.13243	2.0
175.11224	7.3
177.09151	1.4
177.12802	3.6
181.10184	2.0
181.12190	6.4
183.11604	3.4
184.07272	1.9
185.13217	4.2
187.11137	3.1
189.11218	12.7
189.12737	2.5
191.10670	12.4
193.12242	4.2
195.11783	2.2
199.11174	2.4
203.10567	1.5
209.11699	1.8
211.14619	1.5
213.12712	1.7
223.13284	4.7
227.12769	21.1
227.17889	4.3
231.13890	1.6
237.16359	1.5
245.13974	1.6
245.19034	7.9
249.14848	2.7
255.17487	9.9
263.20038	2.0
273.18497	62.4
275.20074	2.2
283.15408	4.5
291.19553	100.0
309.20596	6.7
329.21066	3.3
347.22195	26.2
365.23242	52.2
377.19580	3.8
381.22989	1.2
383.24310	21.9
451.23248	22.2
469.24371	23.9
517.31415	4.0
535.32562	3.3
545.36755	2.0
619.39703	4.2
637.41101	12.5
655.42249	18.3
673.42651	4.8
723.40564	4.8
741.42230	26.9
759.43365	26.3
777.44409	21.3
804.50983	1.8
992.15228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.4
69.07068	19.4
71.04990	2.3
71.52084	0.8
77.03920	0.8
79.05492	34.6
81.03012	0.9
81.03416	5.1
81.07056	38.7
83.04972	4.3
83.08617	6.7
85.02908	1.5
85.06551	1.7
91.05480	52.7
93.07045	34.8
95.01337	4.9
95.04974	7.3
95.08607	26.3
97.02903	1.0
97.06527	14.1
97.10171	1.7
99.08052	1.6
103.05442	1.5
105.07030	64.5
107.04957	10.9
107.08593	20.3
109.06548	4.4
109.10153	7.5
111.08093	2.5
113.09660	0.8
115.05452	1.7
116.06264	0.8
117.07014	15.8
119.08579	38.5
121.06495	2.8
121.10145	9.9
123.04443	1.5
123.08093	3.5
123.11733	1.5
125.09637	2.3
128.06227	0.9
129.06999	4.9
131.08559	19.9
133.06509	1.5
133.10135	38.2
135.08043	2.5
135.11697	7.8
137.09615	2.3
141.06975	1.6
142.07848	0.8
143.08571	6.4
144.09329	0.9
145.06500	2.7
145.10121	16.6
146.74113	0.7
147.08041	1.7
147.11687	18.6
149.09627	5.4
149.13297	5.4
151.11205	1.4
155.08496	1.6
157.10138	6.6
159.08081	1.4
159.11691	11.7
161.13257	11.5
163.11201	4.4
163.14842	1.4
165.09082	1.0
165.12750	0.8
169.10135	2.4
169.27470	0.7
171.11670	5.5
173.13286	6.0
175.11223	1.3
175.14825	6.0
177.12753	3.6
179.14311	6.5
183.11728	1.5
185.13254	3.9
187.11221	2.5
187.14845	1.5
189.12810	0.7
195.11633	0.8
197.13269	1.4
199.14873	2.0
203.14319	0.6
205.16183	0.7
209.13205	0.8
213.16379	1.7
215.17944	0.9
217.19312	1.1
219.17401	0.8
229.19537	1.1
231.17546	0.7
231.21117	1.0
239.17990	1.4
241.19537	12.0
247.20584	1.0
257.18887	4.4
259.20575	21.2
273.18512	2.3
275.20068	40.0
276.20544	1.2
277.21613	1.8
279.15891	0.9
291.19577	2.2
293.21075	2.6
297.21988	0.9
315.23230	8.2
331.22693	1.0
333.24240	39.1
335.25815	2.4
347.22110	1.1
349.23715	39.5
350.24295	0.9
435.32776	1.0
501.35757	0.9
511.37625	1.3
513.35730	3.4
515.38470	1.1
527.37091	1.1
533.39935	1.3
551.41357	0.9
607.43549	100.0
608.44196	2.3
625.44537	19.1
626.45709	0.7
673.93964	0.8
699.25867	0.8
707.36847	0.7
792.15875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	3.9
69.06734	1.1
69.07079	17.9
71.01624	1.0
71.01951	1.0
71.04985	2.4
73.02901	3.8
77.03948	0.9
79.05501	59.4
81.03417	2.4
81.07065	69.6
83.04971	2.3
83.08630	10.0
85.02431	1.4
85.02914	15.1
85.06535	3.5
91.03964	10.5
91.05490	60.5
93.07053	72.3
95.04982	6.3
95.08616	56.8
97.02898	6.4
97.06519	4.7
97.10168	4.7
99.04408	1.1
99.08092	2.6
103.03960	1.1
103.05450	1.9
105.04502	2.1
105.07039	59.2
107.04950	1.1
107.08602	41.6
109.06525	4.2
109.10166	24.7
111.08061	2.0
113.09662	1.4
115.05458	1.8
117.07029	20.5
119.08594	50.4
121.06521	0.8
121.10155	32.3
122.51755	0.9
123.08105	2.2
123.11729	8.0
127.03905	4.7
128.06268	1.8
129.05502	1.1
129.07030	11.1
130.07809	1.6
131.08578	32.4
133.10143	41.6
135.08118	1.9
135.10699	1.8
135.11707	26.6
137.09608	2.0
137.13284	1.8
138.05533	0.9
139.11206	1.3
141.06998	1.7
142.07819	2.0
143.08580	12.0
144.92941	0.8
145.04959	6.4
145.10136	26.6
147.11697	42.7
149.09641	3.1
149.13281	15.2
151.11134	1.1
151.14838	1.5
155.08559	3.1
157.10143	11.0
159.11714	24.9
161.09621	1.2
161.13268	24.7
163.06064	9.1
163.11217	3.1
163.14919	5.0
167.08641	1.7
168.64569	1.1
169.10144	3.8
171.08064	1.1
171.11700	11.5
173.13287	17.1
173.48492	1.0
175.11247	1.2
175.14857	12.5
177.12708	2.1
177.16422	1.3
181.10118	1.0
183.11743	5.1
184.07333	1.0
185.09682	1.0
185.13257	10.1
187.14821	6.5
189.12723	1.5
189.16359	2.8
191.14305	1.4
195.11734	1.6
197.13278	2.8
199.14830	7.8
201.16420	3.1
203.14398	1.1
209.13275	2.2
211.14870	1.9
213.16426	3.1
215.17935	2.0
217.15857	2.3
217.19302	0.8
227.18150	1.2
229.19504	1.6
231.17477	1.5
231.21048	5.9
237.43785	0.9
239.18079	4.1
241.19563	22.2
243.21089	4.1
257.19022	9.1
259.20605	62.3
261.22189	11.7
263.23590	1.1
271.20499	1.5
273.22107	1.1
277.21573	1.7
285.22168	1.2
289.21573	1.0
297.22147	2.3
297.80252	1.1
299.23764	1.7
301.21661	1.0
303.23267	1.0
313.21844	1.0
315.23166	3.2
317.24762	1.2
325.25217	0.9
331.22708	3.8
333.24289	52.0
335.25833	84.7
336.26407	1.3
337.27460	5.4
345.24045	0.9
357.24265	1.3
367.22586	2.0
375.25464	1.4
385.23697	2.1
397.31100	1.1
403.24631	1.1
441.26456	2.0
441.33386	1.0
475.33875	1.3
487.34100	1.8
489.35980	1.5
495.29398	1.4
501.34793	1.0
501.41260	1.6
503.37457	2.0
519.42096	8.8
527.37335	1.3
529.39240	1.5
537.43060	3.5
541.38837	2.5
555.40601	1.9
593.45703	16.8
611.46747	100.0
612.46643	4.0
623.46875	3.9
635.46265	1.3
677.47705	1.5
701.47394	3.7
719.48682	3.8
737.50006	3.4
755.51514	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	956.6302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	76.1
68.44547	1.0
69.03423	3.5
69.07068	25.3
70.90611	1.4
70.90953	1.6
71.04978	3.1
71.08603	1.8
73.02921	6.3
79.05489	39.4
81.03407	1.9
81.07055	89.7
83.04970	2.2
83.08621	16.8
85.02901	20.8
85.06534	2.0
91.03954	15.6
91.05482	24.2
91.91676	1.0
93.07041	46.0
94.09145	1.0
95.04953	2.6
95.08607	68.1
97.02891	13.4
97.06514	4.1
97.10152	7.7
99.08060	2.0
105.06330	1.1
105.07034	22.5
107.08598	29.1
109.02883	1.2
109.06525	1.5
109.10158	29.5
111.08085	2.3
111.11743	2.0
113.09641	1.2
117.06987	5.4
118.33230	1.1
119.08572	18.6
121.10145	27.5
123.08074	1.1
123.11716	11.8
125.09609	2.4
127.03893	5.7
129.06900	1.3
131.08559	10.3
133.10124	15.5
135.11684	14.8
137.09586	1.7
137.13237	3.9
139.26088	1.0
143.08527	1.6
145.04958	8.9
145.10139	7.9
147.11699	11.0
149.13254	12.7
151.11153	2.5
151.14828	2.1
153.12764	1.5
156.66035	1.1
159.11697	7.9
161.13237	10.7
163.06027	12.2
163.14778	5.7
171.11697	2.4
173.13283	5.6
175.14827	4.9
177.16365	3.1
179.14134	1.2
185.13313	1.8
187.14854	4.0
189.16278	2.0
191.17947	1.6
201.16380	1.4
203.18074	1.3
219.17198	1.3
219.21077	1.9
241.19508	2.8
243.21152	10.4
245.22604	4.7
259.20563	8.2
261.22141	27.5
263.23730	5.2
275.23843	1.2
300.03082	1.1
301.25327	1.2
317.24857	5.8
317.27921	1.3
330.88226	1.4
333.24203	4.3
335.25806	88.9
336.26166	2.0
337.27365	100.0
338.27682	1.5
339.29178	8.1
425.55222	1.2
523.44965	5.2
531.39984	2.6
541.46198	3.3
545.42645	2.1
566.93835	1.2
597.48804	45.7
598.48846	2.0
615.49829	69.2
616.49731	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	960.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	43.2
69.03447	4.4
69.07069	18.0
70.06584	3.1
71.04985	4.4
71.33374	1.5
73.02911	1.0
76.63354	0.7
77.03926	1.1
79.05499	52.3
81.03426	12.9
81.07061	88.5
83.04986	14.9
83.08618	18.0
84.08134	1.7
85.02898	5.4
85.06531	3.3
86.09721	1.3
91.05486	38.6
92.06286	0.8
92.66846	0.7
93.07049	38.3
94.04107	0.7
95.01316	1.4
95.04977	20.7
95.08610	23.4
97.02888	2.6
97.06541	9.1
97.10172	24.1
99.04443	2.0
99.08098	2.3
103.05463	1.3
105.03374	1.4
105.04511	1.8
105.07036	31.1
107.04961	23.2
107.08598	27.3
108.05747	0.9
109.06522	18.0
109.10162	12.5
110.07195	1.1
111.04452	14.5
111.08092	7.9
115.05447	3.1
116.04721	1.5
116.06225	0.7
117.07024	21.7
119.04922	2.1
119.08587	32.9
121.06503	11.4
121.10153	16.8
123.04433	2.6
123.08068	22.6
123.11704	1.4
125.06001	1.8
125.09637	25.5
128.06233	3.4
129.05553	3.7
129.07019	11.0
129.10255	0.8
130.07796	2.3
131.04909	1.8
131.08582	22.5
133.06500	6.9
133.10141	14.4
135.04333	1.1
135.08064	12.1
135.11690	14.9
137.09630	6.9
139.07483	1.0
139.11205	2.3
141.06985	1.2
141.09108	0.8
142.07759	2.0
143.08565	11.4
144.09363	0.9
145.06503	5.5
145.10130	24.3
147.08054	14.7
147.11690	9.2
149.08427	0.9
149.09616	14.9
149.13264	1.5
151.11182	1.5
153.09117	4.0
153.12724	5.2
155.08560	4.7
157.06499	1.3
157.10150	8.8
159.08081	4.1
159.11713	7.2
161.09631	15.3
161.13246	1.4
163.11186	28.2
165.09128	5.3
165.12766	1.8
167.08601	1.8
169.10103	1.7
171.08023	1.1
171.10153	3.1
171.11702	6.4
173.09608	8.5
173.13274	2.6
175.11195	7.2
177.09134	1.3
177.12781	3.5
179.10799	1.0
181.10109	1.5
181.12245	9.3
183.11711	2.0
185.09647	2.1
185.13257	5.0
187.11185	2.7
187.14871	1.0
189.11238	16.5
189.12788	2.6
191.10663	11.1
191.14371	1.2
193.12230	3.7
195.11716	2.8
199.11171	2.2
199.14935	1.4
201.12764	1.4
203.10519	1.1
203.14241	1.5
205.12236	2.1
207.14078	0.7
209.11722	3.0
213.12692	2.2
213.16309	1.9
217.15923	0.7
219.13771	0.9
223.13319	4.9
227.12782	27.5
227.14935	1.4
227.17838	5.2
229.14299	1.0
237.16415	2.0
245.13885	1.4
245.18987	5.6
249.14827	2.4
249.18649	0.7
255.17520	6.5
263.20105	3.4
265.14182	1.0
267.15869	1.1
273.18506	63.0
275.20038	1.9
283.15344	4.9
289.17902	1.4
291.19553	100.0
292.19949	0.9
309.20596	10.6
326.37091	0.7
329.21100	2.4
337.23859	1.2
347.22171	24.6
349.23837	0.9
363.18155	3.7
365.23251	63.0
375.21228	0.9
383.24323	30.1
393.22943	0.9
411.23572	0.9
437.21738	23.5
453.21075	1.9
455.22812	32.0
495.13940	0.9
517.31830	1.7
527.34320	1.1
535.32587	3.3
545.35986	1.1
557.35260	1.0
563.37085	1.2
573.34296	2.2
581.38477	1.3
607.31122	2.3
619.39844	3.1
637.40924	15.3
647.33838	1.0
655.42017	22.1
663.34088	1.1
673.42914	9.3
683.41553	1.2
691.43585	1.1
701.41516	0.9
709.38806	3.3
727.40503	25.9
745.41620	29.6
763.42572	20.5
796.10602	0.9
799.33514	0.9
917.75360	0.7
960.46844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6146
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	65.4
69.03428	3.4
69.07071	17.1
69.15631	9.3
71.04977	3.2
73.02898	4.1
77.03908	0.9
79.05495	42.8
81.03405	1.5
81.07058	69.6
83.04982	2.3
83.08618	9.3
85.02434	1.6
85.02908	19.3
85.06536	1.8
91.03952	11.2
91.04900	1.4
91.05480	29.7
93.07047	56.1
94.60342	1.0
95.04962	3.8
95.08611	55.7
97.02889	8.9
97.06531	3.4
97.10167	5.3
98.21574	1.4
99.04468	1.1
99.08117	1.4
103.99156	0.9
105.04523	2.1
105.07034	25.9
107.08595	27.4
109.06519	1.6
109.09476	1.6
109.10164	24.7
111.08062	2.0
113.09641	1.1
117.07028	9.2
119.08582	21.7
121.10147	22.8
123.08047	1.4
123.11715	9.3
127.03915	5.3
129.07021	2.4
131.08565	13.8
132.70378	1.0
133.10144	15.0
135.11697	17.2
137.13280	2.9
139.18764	0.9
143.08585	3.1
145.04955	6.7
145.10124	11.9
147.11685	12.3
149.13261	10.4
151.14760	1.5
154.77942	0.8
157.10158	3.0
159.11699	10.9
161.13245	8.8
163.06027	8.9
163.14851	6.4
171.11716	2.5
173.13297	10.0
175.14853	5.2
175.16179	0.8
177.16386	1.3
185.13243	3.8
187.14835	3.9
199.14853	1.7
201.16415	2.2
213.16447	2.2
215.17934	1.1
231.20959	1.1
241.19524	3.9
243.21034	5.4
257.18866	1.1
259.20609	8.6
261.22159	20.8
263.23727	2.0
315.23227	1.3
317.24847	4.4
333.24216	9.9
335.25812	100.0
336.26059	1.6
337.27332	16.6
429.33212	1.0
476.35220	1.1
497.31760	0.9
521.43262	3.3
539.44293	1.1
543.40100	0.9
595.47229	21.0
613.48260	30.5
765.07135	1.0
878.90015	1.1
920.72607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	60.9
69.03410	2.1
69.06725	1.2
69.07074	16.0
69.85563	3.5
70.06585	2.6
71.04977	3.4
73.02925	1.3
79.05498	58.2
81.03424	7.5
81.07060	56.8
83.04987	10.7
83.08624	13.8
85.02903	5.4
85.06538	2.9
86.09730	1.3
91.03948	1.7
91.05487	46.4
92.05799	0.8
93.07050	62.6
95.04974	15.8
95.08611	28.5
95.09061	0.5
97.02898	2.9
97.06539	10.3
97.10168	5.6
99.04446	1.3
99.08084	2.3
103.05458	0.9
105.04530	2.2
105.07037	35.6
107.04953	9.3
107.08596	27.3
109.02887	1.7
109.06514	9.4
109.10162	23.2
111.04427	1.2
111.08070	3.9
112.86893	0.7
113.06030	1.0
115.05477	0.9
115.07625	0.9
117.07021	13.1
119.08584	27.2
121.06501	4.3
121.10144	11.3
123.04465	0.8
123.08067	6.6
123.11719	3.0
125.09622	4.4
127.03956	1.3
127.07555	1.1
128.06262	1.8
129.07010	12.9
130.07808	1.2
131.08574	12.3
133.06508	1.1
133.10126	17.9
135.08069	5.5
135.11703	5.7
137.09625	3.4
139.11220	1.2
141.06952	1.6
142.07692	0.9
143.08583	8.5
145.06462	1.2
145.10146	14.3
147.08070	3.7
147.11696	30.5
149.09645	7.5
149.13277	7.0
151.07552	1.0
151.11168	2.3
155.08574	1.7
155.10674	1.5
156.09363	0.8
157.10144	2.4
159.08003	0.9
159.11685	7.2
161.09648	5.8
161.13268	9.7
163.11185	6.2
165.12791	1.2
169.10124	1.5
171.11685	19.8
173.11751	5.8
173.13295	2.9
175.11217	2.1
177.12766	3.0
179.10666	0.8
179.14345	2.0
183.11708	2.1
184.07350	1.3
185.13263	1.1
187.11134	1.5
189.11209	1.7
189.12775	8.2
191.14339	0.9
193.12172	1.1
195.11827	0.8
195.13832	2.3
197.13319	1.8
199.14828	1.3
201.12933	0.7
207.13811	16.6
211.13275	1.1
211.76237	0.8
216.03801	0.8
225.14931	1.8
227.12790	6.3
229.14334	7.9
229.19417	1.1
239.18007	1.3
241.14291	1.0
247.20711	1.4
257.19037	4.6
267.15918	1.5
269.17502	9.2
273.18658	0.9
275.20078	29.6
279.15952	1.1
281.17484	58.7
283.15570	0.9
287.16452	0.8
291.19611	1.0
293.21109	2.3
299.15189	0.9
331.22726	2.0
335.34644	0.8
349.23752	15.6
367.24744	4.8
369.34067	0.8
377.23206	1.1
383.22430	0.9
413.21646	1.3
435.27466	64.6
436.27576	1.4
451.27014	2.4
457.29404	2.5
475.30576	100.0
476.30887	2.1
515.33899	1.6
537.35858	5.2
555.36871	83.4
556.37189	1.4
573.38007	34.4
574.38531	1.3
579.31604	4.8
591.35785	3.9
619.34839	7.2
699.40759	1.2
717.41974	2.4
909.95062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83315	2.6
67.05511	81.6
69.03432	30.6
69.07076	29.2
71.01373	2.6
71.05002	11.6
71.53297	3.2
73.02919	5.6
79.05501	75.2
81.03426	71.0
81.07063	100.0
83.04996	20.7
83.08625	21.9
85.02910	28.5
85.06547	5.9
86.09722	2.5
91.03963	7.4
91.05489	75.9
93.07051	80.3
94.07405	2.4
95.04981	20.1
95.08614	52.0
95.74533	2.3
97.02888	32.7
97.06548	13.1
97.10191	6.0
99.04450	12.9
99.08102	6.6
101.02389	3.6
103.05473	3.9
103.13425	2.1
105.04536	2.5
105.07044	72.8
107.04982	9.8
107.08604	42.6
109.02888	10.5
109.06533	7.7
109.10171	24.6
111.04482	6.3
111.08109	8.7
113.05997	2.4
115.05512	3.2
117.07024	27.9
119.08595	48.1
121.06513	8.9
121.10149	29.2
123.08084	12.4
123.11717	8.1
125.09644	5.3
127.03943	17.6
128.06226	3.9
129.05496	6.5
129.07033	22.7
131.04907	2.4
131.08583	46.5
133.06517	3.9
133.10129	36.8
135.08075	5.1
135.11696	22.1
137.09618	4.3
141.07008	11.3
142.07791	5.4
143.08566	22.0
144.09314	2.6
145.05000	3.6
145.06505	8.2
145.10130	36.6
147.08063	8.7
147.11696	31.0
149.09648	12.0
149.13240	13.8
151.11179	2.5
153.06987	2.4
155.08553	20.5
155.31229	2.4
157.10139	26.6
159.08058	5.5
159.11702	30.3
161.09639	6.5
161.13274	15.0
163.06047	2.9
163.11232	6.6
163.14786	4.0
165.12747	5.7
166.89832	2.1
167.08566	9.6
168.09396	3.0
169.10136	15.8
171.11707	22.3
173.04482	34.0
173.09598	4.1
173.13249	15.9
175.11192	6.6
175.14861	6.3
177.12787	2.7
179.08638	4.9
181.10170	9.5
181.12250	5.5
182.10828	2.4
183.11746	17.7
185.13237	12.1
187.14792	7.5
189.12758	2.8
191.14372	2.6
193.10147	4.8
195.11743	9.7
196.12372	3.4
197.13307	10.7
199.11224	5.5
199.14902	7.3
201.13011	2.4
207.11795	5.7
209.09683	2.8
209.13324	7.5
211.14853	5.6
213.16446	3.7
215.17946	2.7
221.13312	4.9
223.14870	5.6
227.17984	4.3
229.14400	3.6
231.17409	2.4
232.48848	2.2
237.16502	3.6
239.17908	3.3
241.19547	8.5
257.19022	6.4
259.20627	16.8
261.22162	3.7
267.16049	8.8
269.17560	10.4
271.20572	4.0
273.18616	6.8
275.20059	13.0
299.20200	3.1
315.23129	4.1
333.24438	11.1
335.25974	15.7
339.18100	2.6
339.23190	2.6
349.23795	7.5
351.23868	2.7
365.23718	3.0
367.22638	3.3
385.23792	4.0
413.21616	4.4
435.32709	5.1
441.26373	3.7
453.33859	4.2
454.72189	2.9
459.26996	2.8
509.35986	6.9
513.35626	6.5
515.37634	8.6
527.37372	41.4
533.39685	5.2
539.37732	2.9
545.38525	5.1
549.37177	2.8
607.43512	52.2
625.44745	56.9
625.81519	2.7
635.39478	10.9
649.44452	3.6
653.40417	12.4
671.41571	18.0
689.42767	26.5
733.46570	6.1
751.47583	9.2
769.48413	15.7
787.49274	7.6
877.49689	4.1
949.51434	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	949.552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	80.8
69.03432	15.0
69.06730	3.7
69.07072	52.3
71.04990	7.6
71.52931	4.2
73.02890	3.4
79.05493	78.0
81.03423	28.5
81.06598	5.5
81.07057	93.6
83.04983	14.5
83.08624	12.3
85.02905	17.1
85.06529	4.4
85.92820	2.5
91.03954	6.0
91.04901	4.5
91.05479	93.3
93.06486	4.5
93.07047	76.9
95.01314	5.6
95.04972	26.4
95.08612	60.9
96.83632	2.3
97.02899	19.2
97.06525	41.2
97.10149	10.0
99.04435	4.3
99.08113	3.2
103.05467	4.4
105.04474	3.4
105.07030	100.0
107.04969	23.8
107.08598	44.3
109.02849	6.7
109.06504	10.8
109.10165	20.1
111.04427	6.6
111.08115	5.3
115.05449	5.5
117.07021	29.9
119.08585	68.6
121.06527	12.6
121.10145	23.5
123.04398	6.2
123.08076	12.9
123.11695	3.8
125.09634	5.0
127.03917	6.9
128.06241	5.8
129.07002	16.9
131.04916	5.4
131.08562	41.8
133.06482	9.6
133.10144	51.3
135.08035	10.7
135.11693	21.5
135.76324	2.5
137.09602	7.9
139.07523	3.7
141.06967	5.1
143.08554	15.6
145.06485	9.5
145.10118	34.6
147.08011	10.5
147.11705	33.8
149.09647	13.9
149.13257	6.6
151.11188	4.7
155.08556	7.2
157.06482	5.0
157.10161	14.9
159.08073	5.4
159.11687	25.8
161.09648	12.4
161.13251	20.2
163.11229	11.9
163.14793	3.2
165.09122	5.1
165.12747	4.4
169.10129	7.2
171.08038	4.5
171.11638	16.2
173.09595	6.5
173.13266	11.0
175.11192	5.6
175.14801	7.2
177.12791	6.1
179.14290	8.5
181.10127	4.8
183.11694	6.1
184.07393	4.5
185.09627	5.8
185.13235	10.8
187.11165	7.4
187.14795	4.0
189.12794	3.5
191.14342	4.7
197.13243	5.2
199.14896	2.9
201.09065	3.6
203.14261	3.4
217.19473	2.9
225.16034	2.5
227.12691	5.0
229.12325	3.4
239.17990	5.5
241.12140	4.0
241.19547	18.9
245.18929	4.9
247.20683	4.4
250.84442	2.8
255.17542	2.5
257.19031	9.7
259.20572	30.9
266.92612	2.7
267.15915	2.9
269.11755	4.3
273.15628	2.2
273.18494	40.4
275.20065	59.8
277.21680	3.0
291.19589	20.7
293.21097	4.0
315.23196	8.0
331.22827	3.1
333.24292	42.9
335.25815	42.7
339.19446	6.9
339.23059	2.8
347.22116	14.5
349.23816	49.3
349.38516	3.0
357.20624	9.4
365.23117	10.0
381.20670	4.6
399.21588	3.9
413.23102	4.3
431.24246	7.7
435.23468	3.7
509.27466	3.4
513.35681	4.1
533.39996	3.5
597.45807	2.9
607.43573	92.2
608.43781	3.8
625.44653	69.0
626.45093	3.9
637.44348	3.1
667.45258	3.8
691.45343	8.2
703.46735	2.8
715.45551	5.4
721.46265	6.6
730.78259	3.1
733.46075	3.5
751.47430	8.3
769.48505	12.9
787.49341	8.4
949.51575	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	948.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	54.5
69.03427	17.9
69.07076	16.2
71.04996	11.4
71.51820	1.7
73.02892	2.2
74.06071	1.2
77.03916	1.3
78.03572	1.3
79.05495	59.1
80.05793	1.3
81.03423	47.0
81.07058	61.6
83.01331	2.3
83.04982	22.1
83.08612	14.3
85.02908	13.5
85.06548	3.6
91.03967	1.5
91.05482	33.1
93.07044	54.6
95.04958	12.3
95.08609	42.8
97.02902	15.9
97.06518	10.3
97.10175	8.7
99.04482	6.9
99.08074	1.6
105.07037	25.4
106.07326	1.4
107.04956	13.2
107.08602	37.7
109.02908	11.2
109.06518	6.1
109.10161	16.9
111.04457	15.2
111.08111	6.1
115.05452	1.4
117.07013	14.8
119.07806	2.0
119.08592	24.9
121.06502	3.6
121.09335	1.9
121.10152	25.2
122.74628	1.1
123.04427	2.5
123.08082	7.7
123.11697	3.4
125.06010	2.7
125.09669	7.2
127.03929	18.6
128.06310	1.3
129.05490	2.2
129.06999	6.8
130.07780	1.7
131.08600	14.1
133.10133	12.6
135.04385	2.1
135.08080	3.3
135.11685	29.6
137.09616	3.0
139.07562	1.5
143.08571	5.1
145.04942	1.2
145.06483	2.5
145.10130	24.0
147.08081	3.1
147.11694	8.2
149.09616	3.2
149.13292	6.5
153.12741	14.8
155.08551	3.7
157.10172	3.6
159.08076	2.2
159.11705	10.8
161.09483	1.6
161.13261	5.0
163.11198	20.7
169.10139	3.5
171.08095	1.4
171.11659	3.8
173.04428	4.0
173.09636	3.9
173.13278	5.6
175.14885	1.9
179.08604	1.5
181.10112	2.3
181.12228	10.6
183.11685	3.8
184.07307	1.8
185.13316	2.5
187.14778	2.1
189.11211	2.7
191.10591	7.1
193.12276	2.2
199.14729	1.5
201.16379	2.1
209.11736	4.8
227.12761	24.0
259.20673	3.0
261.22159	8.7
265.14395	2.9
267.15875	1.7
275.20123	2.1
283.15424	21.9
289.17969	2.2
299.23718	3.4
301.16446	2.2
313.65073	1.3
317.24643	2.1
333.24155	2.6
334.25464	1.3
335.25812	95.8
351.23312	1.6
353.15866	7.1
369.24316	4.0
371.17096	1.3
405.26489	1.8
409.18341	2.0
427.19678	49.5
427.25574	2.7
433.30783	2.2
443.28000	1.6
451.32208	2.5
461.29132	1.8
469.33072	4.0
525.35785	13.4
543.36816	67.6
544.36700	1.8
561.37543	6.4
607.43152	1.8
651.38409	3.0
661.63983	1.4
669.40125	6.8
687.41028	100.0
688.41144	1.7
705.31464	2.0
705.42242	32.0
744.62073	1.4
849.45557	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	949.552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	80.8
69.03432	15.0
69.06730	3.7
69.07072	52.3
71.04990	7.6
71.52931	4.2
73.02890	3.4
79.05493	78.0
81.03423	28.5
81.06598	5.5
81.07057	93.6
83.04983	14.5
83.08624	12.3
85.02905	17.1
85.06529	4.4
85.92820	2.5
91.03954	6.0
91.04901	4.5
91.05479	93.3
93.06486	4.5
93.07047	76.9
95.01314	5.6
95.04972	26.4
95.08612	60.9
96.83632	2.3
97.02899	19.2
97.06525	41.2
97.10149	10.0
99.04435	4.3
99.08113	3.2
103.05467	4.4
105.04474	3.4
105.07030	100.0
107.04969	23.8
107.08598	44.3
109.02849	6.7
109.06504	10.8
109.10165	20.1
111.04427	6.6
111.08115	5.3
115.05449	5.5
117.07021	29.9
119.08585	68.6
121.06527	12.6
121.10145	23.5
123.04398	6.2
123.08076	12.9
123.11695	3.8
125.09634	5.0
127.03917	6.9
128.06241	5.8
129.07002	16.9
131.04916	5.4
131.08562	41.8
133.06482	9.6
133.10144	51.3
135.08035	10.7
135.11693	21.5
135.76324	2.5
137.09602	7.9
139.07523	3.7
141.06967	5.1
143.08554	15.6
145.06485	9.5
145.10118	34.6
147.08011	10.5
147.11705	33.8
149.09647	13.9
149.13257	6.6
151.11188	4.7
155.08556	7.2
157.06482	5.0
157.10161	14.9
159.08073	5.4
159.11687	25.8
161.09648	12.4
161.13251	20.2
163.11229	11.9
163.14793	3.2
165.09122	5.1
165.12747	4.4
169.10129	7.2
171.08038	4.5
171.11638	16.2
173.09595	6.5
173.13266	11.0
175.11192	5.6
175.14801	7.2
177.12791	6.1
179.14290	8.5
181.10127	4.8
183.11694	6.1
184.07393	4.5
185.09627	5.8
185.13235	10.8
187.11165	7.4
187.14795	4.0
189.12794	3.5
191.14342	4.7
197.13243	5.2
199.14896	2.9
201.09065	3.6
203.14261	3.4
217.19473	2.9
225.16034	2.5
227.12691	5.0
229.12325	3.4
239.17990	5.5
241.12140	4.0
241.19547	18.9
245.18929	4.9
247.20683	4.4
250.84442	2.8
255.17542	2.5
257.19031	9.7
259.20572	30.9
266.92612	2.7
267.15915	2.9
269.11755	4.3
273.15628	2.2
273.18494	40.4
275.20065	59.8
277.21680	3.0
291.19589	20.7
293.21097	4.0
315.23196	8.0
331.22827	3.1
333.24292	42.9
335.25815	42.7
339.19446	6.9
339.23059	2.8
347.22116	14.5
349.23816	49.3
349.38516	3.0
357.20624	9.4
365.23117	10.0
381.20670	4.6
399.21588	3.9
413.23102	4.3
431.24246	7.7
435.23468	3.7
509.27466	3.4
513.35681	4.1
533.39996	3.5
597.45807	2.9
607.43573	92.2
608.43781	3.8
625.44653	69.0
626.45093	3.9
637.44348	3.1
667.45258	3.8
691.45343	8.2
703.46735	2.8
715.45551	5.4
721.46265	6.6
730.78259	3.1
733.46075	3.5
751.47430	8.3
769.48505	12.9
787.49341	8.4
949.51575	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	948.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	53.2
69.03432	12.8
69.07072	11.8
71.01349	1.4
71.05000	8.3
71.26162	1.8
73.02894	2.1
79.05496	51.1
81.02928	1.0
81.03423	46.1
81.07061	52.8
83.01358	4.3
83.04980	16.0
83.08624	14.3
85.02432	1.1
85.02909	9.9
85.06542	3.0
91.03945	1.2
91.05485	31.9
93.07047	57.1
94.07336	0.9
94.38864	0.9
95.04967	10.2
95.08611	39.9
97.02393	1.0
97.02904	14.5
97.06536	7.8
97.10181	6.7
99.04449	6.6
99.08109	1.9
103.03928	1.3
103.05476	1.9
105.04517	1.6
105.07034	25.6
107.04969	14.2
107.08601	30.0
109.02893	9.4
109.06529	7.2
109.09470	1.4
109.10165	18.7
111.04453	11.7
111.08089	5.5
113.02354	0.9
115.05454	1.7
117.07027	13.7
119.08585	18.4
121.06501	3.7
121.10155	22.8
123.04424	1.4
123.08073	6.6
123.11695	3.7
125.05947	2.1
125.09637	6.8
127.03918	13.4
128.06229	1.2
129.05505	1.0
129.07007	6.2
130.07800	1.4
131.08575	18.3
133.06517	1.1
133.10139	13.1
135.08037	3.4
135.11705	21.3
137.09601	2.1
137.13292	1.5
141.06927	1.6
143.08563	4.3
145.04970	1.3
145.06512	2.2
145.10126	17.8
147.04373	1.0
147.08055	2.3
147.11703	7.1
149.06018	0.9
149.09602	3.1
149.13272	5.7
153.09090	1.0
153.12762	15.7
155.08568	3.4
156.96640	0.8
157.10089	3.6
159.07999	1.6
159.11714	7.1
161.05989	1.0
161.09630	1.4
161.13254	3.8
163.11177	20.6
169.10155	3.5
171.11700	3.9
173.04543	4.3
173.09587	4.7
173.13272	5.6
175.11131	1.7
175.14771	1.7
177.12857	1.1
181.12209	11.9
183.06502	1.1
183.08058	0.9
183.11746	1.8
184.07384	1.0
185.13298	1.6
187.11139	1.0
187.14737	1.7
189.11235	3.2
189.12810	1.3
189.16284	1.0
191.10692	8.0
191.83492	1.0
193.10318	0.8
193.12250	2.6
195.11716	1.4
197.13284	1.7
199.14790	1.9
201.16319	1.3
205.12411	1.0
208.85370	0.8
209.11722	3.4
209.13409	1.0
227.12785	20.8
228.10051	0.8
243.21053	2.4
259.20602	2.6
261.22205	8.3
265.14377	2.9
267.15927	1.4
275.20078	1.2
279.23383	1.1
281.22751	0.8
283.15433	20.0
289.18192	1.3
299.23740	2.8
301.16562	2.3
301.21512	1.4
317.13712	1.2
317.24823	3.1
333.24152	2.4
335.25809	100.0
349.27618	1.1
353.16074	6.9
369.24197	3.1
371.16876	1.0
387.25107	1.9
391.17416	1.1
405.26263	1.2
409.18524	3.1
427.19659	48.8
433.30975	1.1
443.27856	1.0
451.32269	4.0
461.28940	0.9
469.33179	2.8
515.37231	1.9
525.35828	10.2
543.36835	67.1
544.37012	2.7
561.37854	5.1
567.36713	1.6
585.37476	1.1
609.37439	1.3
633.37140	1.2
651.38599	2.8
654.24329	0.9
669.39691	5.6
687.41058	93.1
688.41144	1.8
705.42224	29.3
719.38226	2.0
849.45142	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	937.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.3
68.12412	0.5
69.03430	2.8
69.59028	2.2
71.05019	0.5
71.08646	0.8
73.02921	2.8
79.05508	1.3
81.03422	1.0
81.07047	2.2
82.62103	0.4
85.02931	4.3
91.03972	2.9
91.05496	0.9
93.07050	1.3
95.08637	2.0
97.02897	5.0
99.04479	1.2
101.02403	1.1
107.08630	0.6
109.10194	1.3
121.10130	0.7
123.11722	0.7
127.03937	1.5
185.04240	0.5
201.07700	0.5
203.05103	0.7
226.61952	0.6
243.08510	2.0
309.59103	0.5
335.25522	0.6
347.09732	2.1
365.10651	0.6
405.13718	5.0
497.30908	3.6
519.29327	4.9
659.35883	3.3
681.34717	7.0
775.53424	1.8
825.10175	0.5
937.58673	100.0
938.58917	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	948.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	81.0
69.03429	9.7
69.07056	21.7
72.25240	3.8
73.66265	3.8
76.14500	4.0
78.43243	3.3
78.44204	3.7
79.05071	6.4
79.05494	75.2
80.06266	7.7
81.03410	13.9
81.06593	4.8
81.07061	65.9
83.04974	9.9
83.08623	11.2
85.06507	6.7
87.00134	3.4
91.05480	100.0
92.06247	5.5
93.07049	76.1
93.65911	3.8
94.07817	6.5
95.04978	59.5
95.08617	54.8
96.09415	4.0
97.06534	19.9
97.10156	6.1
97.45392	3.5
103.05487	6.1
105.04502	5.4
105.07040	99.9
106.07813	4.5
107.04967	56.3
107.08609	43.8
108.05726	9.5
109.06514	19.0
109.10129	20.2
110.07306	26.2
111.08054	5.9
113.46439	4.1
115.05486	4.6
116.04715	6.3
117.07014	75.9
118.07800	6.0
119.04920	5.6
119.08589	79.8
120.09359	8.3
121.06557	18.0
121.10162	25.6
122.07284	8.3
123.08092	22.4
123.11693	7.9
128.06195	6.3
129.05525	7.0
129.07030	29.0
131.08580	89.5
132.09328	11.4
133.06519	40.1
133.10130	52.8
134.10953	6.1
135.08035	25.2
135.11713	15.5
136.08823	5.5
141.07039	5.4
142.07788	4.9
143.08583	29.3
144.09314	5.1
145.06528	6.2
145.10149	63.1
146.10909	34.0
147.08058	45.5
147.11705	34.9
148.08842	8.0
149.09636	36.5
149.13268	8.8
155.08536	8.5
157.10135	33.9
159.08073	10.1
159.11728	40.6
160.12526	5.8
161.09668	21.7
161.13289	21.8
163.11191	20.6
165.12856	4.6
167.08568	4.7
169.10139	11.7
171.11714	16.0
173.09679	7.1
173.13220	20.5
175.11191	12.0
175.14868	8.2
177.12758	5.1
183.11656	9.8
185.09627	5.0
185.13235	10.3
187.11153	8.3
187.14815	16.0
189.12688	6.8
195.11723	7.5
197.13304	6.2
199.11218	5.1
199.14844	9.8
201.16481	4.7
211.14857	5.6
217.15967	10.7
227.14308	4.6
227.18080	5.2
241.19508	13.5
246.19812	6.2
248.86911	4.7
257.19055	15.3
258.19550	5.2
259.20517	18.7
273.18439	18.6
274.19281	62.0
275.19983	25.9
279.15945	15.0
314.22452	8.2
315.23325	7.5
327.26810	7.1
333.24258	69.2
335.25995	4.7
347.22098	12.7
348.22910	14.3
349.23660	16.3
459.31451	4.2
475.13489	20.4
512.34930	6.3
513.36176	9.7
514.36377	16.3
527.37732	6.4
531.38141	9.8
549.39050	6.9
581.40149	4.4
605.42102	62.3
606.42963	41.9
623.42896	98.2
624.43915	48.7
733.33350	36.3
948.46814	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	933.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03875	0.4
67.05407	9.5
67.05807	1.6
69.03329	6.0
69.03746	0.9
69.06968	4.5
69.07376	0.6
71.01257	0.8
71.01620	0.3
71.04887	1.3
72.38413	0.3
73.02811	6.6
73.03266	0.9
77.03851	0.3
79.05382	7.0
79.05895	0.7
81.03304	3.1
81.03816	0.3
81.06947	9.6
81.07475	1.1
83.01255	0.3
83.04869	1.2
83.05362	0.5
83.08505	2.5
85.02789	14.2
85.03357	1.3
85.03638	0.5
85.06455	0.4
87.04400	0.5
91.03839	8.9
91.04462	0.7
91.05363	7.2
91.05997	0.6
93.06927	8.2
93.07554	0.7
95.04842	1.1
95.08487	9.8
97.02774	12.9
97.03461	1.0
97.06416	1.2
97.10155	1.8
98.20688	0.4
99.04326	1.6
99.07988	0.5
101.02259	2.0
103.03848	0.4
103.05371	0.5
105.04404	0.3
105.06906	7.0
106.36790	0.2
107.04845	0.4
107.08467	5.6
107.09248	0.3
109.02750	1.3
109.06426	0.5
109.10025	3.9
111.04327	0.5
111.08001	0.5
115.03941	1.1
115.05331	1.0
117.07027	4.1
117.07767	0.3
119.08586	6.5
119.09840	0.3
121.10141	3.4
123.07939	0.7
123.11569	1.0
125.09500	0.8
127.03929	4.3
128.06247	1.2
129.05417	0.3
129.07008	5.8
130.07710	0.5
131.08575	6.3
133.10138	5.0
135.07959	0.5
135.11690	2.7
137.09517	0.5
137.13182	0.4
139.11090	0.5
141.06992	2.9
142.07774	1.7
143.08574	7.0
144.09261	0.4
145.04965	2.9
145.10135	6.3
147.11697	3.1
149.09499	0.4
149.13252	1.2
153.06976	1.0
153.08937	0.2
154.07640	0.6
155.08568	5.9
156.09218	0.9
157.10136	7.8
159.11702	4.5
161.13284	1.9
163.06032	1.3
163.14709	0.4
165.06871	0.7
166.07675	0.5
167.08557	3.5
168.09210	1.0
169.10135	7.6
170.10773	0.7
171.11681	6.4
173.09511	0.2
173.13283	3.2
175.14803	1.3
177.12717	0.4
177.16248	0.5
178.07657	0.3
179.08568	1.7
180.09151	0.7
181.10130	4.1
182.10741	0.7
183.11688	7.5
183.41302	0.2
184.12334	0.5
185.13263	4.4
187.11115	0.3
187.14804	2.3
189.16223	0.7
191.08406	0.3
192.09245	0.4
193.10152	1.9
194.10786	0.7
195.11688	4.7
196.12404	0.5
197.13268	5.3
199.11125	0.3
199.14845	3.2
201.12755	0.3
201.16364	1.2
203.17819	0.4
205.09953	0.7
207.11699	2.5
209.11517	0.3
209.13264	4.3
210.13948	0.4
211.14841	3.8
212.15247	0.3
213.16496	2.1
215.17882	0.5
217.10138	0.4
219.11777	1.1
221.13315	1.9
223.14803	3.5
225.16425	2.7
227.14301	0.3
227.18138	1.2
229.09933	0.3
229.15691	0.2
229.19331	0.4
233.13135	0.7
235.14767	1.9
236.15428	0.3
237.16422	2.4
239.18028	1.6
241.19443	0.9
245.13248	0.3
247.14706	0.7
249.16280	0.9
251.18137	1.2
252.18541	0.3
253.15826	0.3
253.19414	0.9
255.21284	0.3
257.18930	0.4
261.16342	0.5
263.17841	0.7
265.19424	0.8
267.21112	0.5
269.18689	0.3
275.17776	0.4
277.19385	0.7
279.20950	0.6
281.18900	0.3
281.22470	0.6
283.20377	0.6
285.21954	0.4
289.19315	0.3
291.20987	0.5
293.18759	0.3
295.20526	0.4
297.21893	0.5
299.19998	0.3
299.23291	0.4
305.22437	0.4
307.20319	0.3
307.23880	0.4
309.22144	0.6
311.23459	0.4
321.21997	0.4
323.23514	0.7
325.25137	0.3
327.22888	0.3
329.24780	0.3
337.21451	0.3
337.25250	0.9
339.23096	0.4
339.26913	0.5
341.28378	0.3
347.23767	0.3
349.25073	0.6
351.26715	0.7
353.28409	0.4
355.26572	0.3
361.25015	0.3
363.26801	0.4
365.28293	0.8
367.26410	0.5
375.26376	0.4
377.24353	0.3
377.28680	0.5
379.29996	0.5
381.27878	0.3
390.94781	0.2
393.27313	0.4
393.31787	0.4
401.27979	0.3
409.30969	0.3
421.30850	0.7
423.32074	0.3
425.30777	0.3
433.30835	0.4
435.32367	0.4
443.33160	0.3
447.32397	0.6
459.32050	0.3
473.33234	0.5
499.33908	0.5
501.35617	0.7
511.34149	0.4
513.35944	0.7
515.38043	0.9
517.40485	3.7
521.36328	0.6
525.35913	0.8
527.37305	1.0
529.39453	0.6
535.41730	1.7
539.37415	1.4
540.37817	0.3
541.38928	1.2
553.39429	0.7
555.41266	0.3
567.40381	0.5
573.43085	0.7
581.42346	0.4
591.44086	5.7
601.42462	0.3
607.43359	2.4
608.43970	0.4
609.45148	100.0
610.45392	2.0
611.46655	0.8
619.43652	0.3
621.45178	1.7
625.43860	0.4
633.45349	1.4
643.43567	0.4
645.44940	0.5
649.44598	0.3
651.46375	1.8
663.45685	0.7
675.46277	0.5
679.46039	0.4
681.45563	0.3
687.46613	0.4
693.47369	0.5
699.45886	1.3
717.46826	1.6
735.48322	2.8
753.49390	3.4
771.50403	30.2
772.50842	0.7
897.53510	0.4
915.54553	0.4
933.55780	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	932.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.1
67.05508	32.8
69.03423	2.1
69.07067	9.0
70.75588	1.7
70.75921	1.2
70.95145	0.8
71.04967	1.4
71.08631	18.7
73.02914	3.9
79.05495	20.1
81.03414	1.1
81.07056	40.5
83.08620	10.6
85.02387	0.9
85.02905	16.1
85.06528	1.4
85.10184	12.3
89.06036	1.9
91.03955	10.6
91.05480	10.4
93.07045	27.6
95.04983	1.8
95.08611	42.6
97.02901	8.3
97.06532	1.6
97.10183	5.1
99.08086	1.6
103.07556	1.4
105.07043	7.7
107.08596	17.1
109.10160	18.8
115.03949	1.5
117.07011	3.3
119.08584	7.8
121.10154	11.9
123.11702	8.2
125.09621	0.8
125.76948	0.7
127.03917	6.0
131.08568	7.0
133.10146	7.2
135.11703	10.4
137.13277	2.7
139.11238	1.0
145.04973	6.0
145.10139	5.6
147.11708	5.5
149.13264	8.2
151.14813	1.1
159.11710	5.3
161.13269	4.4
163.06018	7.6
163.14804	4.6
173.13280	4.9
175.14861	2.4
177.16357	1.4
187.14883	1.6
201.16328	1.5
206.09421	0.7
233.22705	1.3
239.23766	2.6
243.21124	10.7
250.48032	0.9
257.24710	1.9
261.22150	35.9
270.15219	0.8
313.27377	100.0
314.27765	0.9
317.24905	6.4
334.25577	0.7
335.25803	84.8
336.26324	1.3
358.01743	0.7
451.37778	1.1
573.48828	46.1
574.48901	1.0
591.49780	12.3
706.85541	0.9
775.38574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.7
65.69093	1.0
67.05505	71.3
69.03434	7.8
69.07069	33.5
70.06581	1.0
71.01345	3.5
71.04997	5.8
73.02906	4.4
75.00044	1.9
77.03908	1.1
79.05491	68.2
80.29500	1.0
81.03421	16.7
81.07054	100.0
83.04975	21.0
83.08147	2.0
83.08619	23.2
84.10372	1.0
85.02901	5.3
85.06532	4.3
86.09698	3.5
89.01566	1.2
91.05480	54.7
93.07044	54.1
94.04219	1.3
95.01341	1.4
95.04971	28.6
95.08606	30.0
96.05752	2.8
97.02902	11.3
97.06535	14.2
97.10166	23.3
99.04449	2.7
99.08073	3.2
101.06015	1.3
103.05470	2.3
105.03391	1.5
105.04506	2.3
105.07032	41.5
107.04958	22.0
107.05636	2.0
107.08595	36.6
109.02864	2.4
109.06512	22.8
109.10154	35.1
111.04437	11.1
111.08060	9.4
115.05469	3.7
116.04722	7.8
116.06248	1.2
117.01067	1.8
117.07021	25.8
119.04942	2.0
119.08580	40.4
121.06509	13.4
121.10143	21.6
122.07319	2.2
123.04442	6.8
123.08067	24.2
123.11668	1.3
125.05968	1.2
125.08772	1.6
125.09634	23.6
127.03975	1.2
128.06209	4.2
129.01065	1.4
129.04539	1.0
129.05490	20.1
129.06987	15.5
130.07755	2.2
131.02591	1.7
131.04947	1.1
131.08565	28.4
133.00510	1.1
133.06483	8.9
133.10130	20.1
135.07118	1.6
135.08061	19.7
135.11685	13.5
136.08690	1.0
137.05984	1.9
137.09621	20.4
138.10388	1.2
139.07558	2.0
139.11197	2.3
141.06967	2.5
142.07797	2.1
143.07076	5.5
143.08537	11.2
145.06494	5.5
145.10120	24.2
147.08051	16.8
147.11681	11.0
149.09618	18.5
149.10750	1.4
149.13206	4.6
151.07501	2.7
151.11176	3.5
152.08382	1.4
153.07036	1.1
153.09111	9.2
153.12753	2.9
155.05998	1.5
155.08571	4.0
155.10643	2.6
156.09334	1.3
157.06509	1.3
157.08609	11.9
157.10124	12.4
159.08066	5.6
159.11685	10.4
160.08771	1.1
161.09612	18.5
161.13258	2.7
163.07489	2.9
163.11185	22.2
165.09129	7.1
165.12804	2.7
167.08563	1.9
168.09280	0.9
169.10078	4.6
171.06577	2.2
171.08015	2.4
171.10156	5.6
171.11711	6.7
173.09618	6.9
173.11723	8.6
173.13290	4.1
174.10262	1.0
175.11183	8.2
175.14908	1.3
177.09198	1.7
177.12730	4.6
178.55026	1.0
179.10677	2.1
181.10139	2.0
181.12268	5.7
183.11682	2.0
184.07347	2.1
185.09601	2.2
185.11832	1.0
185.13258	3.7
187.11276	3.2
189.08932	1.1
189.09482	1.4
189.11218	14.4
189.12811	3.3
191.10674	4.8
193.12228	10.5
195.11664	2.4
197.07283	6.1
199.11205	4.4
199.13260	4.4
200.14139	1.1
203.10776	1.1
205.12294	3.4
209.11638	1.3
211.13208	1.9
211.14934	1.3
213.16440	1.5
217.14221	1.3
217.16049	1.3
219.13814	3.1
221.11748	4.1
223.13307	4.4
227.12729	18.5
227.17938	3.5
229.14328	15.3
231.13837	1.2
231.17574	1.1
233.15532	1.1
235.13232	1.4
235.37326	1.0
237.16547	2.1
239.12700	2.3
243.13687	1.0
243.17509	1.3
245.18909	5.2
249.14847	2.9
249.60483	1.0
255.17676	6.6
261.18512	2.1
263.20126	2.9
265.14505	1.7
267.15909	1.6
271.16980	4.4
273.18484	61.5
274.18994	1.1
275.20114	3.3
283.15375	2.3
289.18008	8.2
290.18735	1.1
291.19540	78.4
295.15399	2.1
307.18967	1.7
309.16180	6.4
309.20462	6.0
313.16284	1.4
325.15512	1.5
327.17374	1.2
329.21216	2.8
331.35336	1.1
347.22144	20.1
349.23581	3.1
363.21683	3.9
365.23218	34.3
381.22867	5.1
383.19775	22.5
383.24323	10.6
399.19284	2.9
399.23819	32.0
401.20883	33.7
417.20380	25.1
421.32410	1.0
447.74594	1.0
497.27051	1.5
501.32178	1.5
519.33002	5.5
537.29126	5.7
555.30817	12.5
577.32593	3.2
595.34021	3.6
619.39929	1.6
637.41138	6.6
655.41052	3.0
671.41913	5.8
673.38641	14.1
675.40186	1.3
689.39148	4.0
691.39447	12.4
707.39172	27.7
725.40271	49.6
922.49615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	6.3
66.91240	0.9
67.05505	89.3
69.03429	7.2
69.07067	41.1
70.06603	2.0
71.01344	2.9
71.05000	12.1
73.02909	2.2
77.03940	1.2
79.05494	70.0
81.03416	18.7
81.07056	100.0
83.04985	20.4
83.08619	24.9
84.05728	1.0
84.55771	1.0
85.02897	7.4
85.06538	5.7
86.09690	3.0
91.03934	1.3
91.05482	53.0
93.07045	57.5
95.01315	1.7
95.04970	24.1
95.08609	33.1
97.02899	6.4
97.06524	21.4
97.10163	24.1
99.04436	2.9
99.08082	3.1
101.05993	1.9
103.05460	2.2
105.04501	2.3
105.07026	40.0
107.04954	21.8
107.08591	42.0
109.02875	3.2
109.06513	17.7
109.10161	45.6
110.03587	1.2
111.04438	9.5
111.08080	11.2
111.11709	0.9
113.05988	1.4
113.09663	1.7
115.05450	3.2
116.04703	1.7
117.07018	20.4
119.04938	1.4
119.08581	38.8
121.06508	11.6
121.09322	2.0
121.10137	23.6
123.04420	4.6
123.08062	15.8
123.11716	3.5
125.05979	2.6
125.09624	21.8
127.03907	2.7
127.11169	2.2
128.06230	2.4
129.05519	7.7
129.07011	11.1
131.04900	2.4
131.08571	24.4
133.06493	4.4
133.10135	24.8
135.08047	17.3
135.11693	13.7
137.06010	1.4
137.09604	18.5
139.11139	2.8
141.06992	3.3
142.07707	1.5
143.07007	2.9
143.08577	11.1
145.06467	5.2
145.09055	1.9
145.10135	24.0
145.11276	1.4
147.04398	1.0
147.08057	13.0
147.11681	14.8
149.09630	19.7
149.13240	8.8
151.07561	1.8
151.11150	4.3
153.09111	6.3
153.12730	3.8
155.08534	5.3
155.10602	5.0
157.06488	1.9
157.08627	3.7
157.10114	9.3
159.08055	3.8
159.11690	14.9
161.06006	1.2
161.09628	12.1
161.13272	6.2
163.07559	1.5
163.11182	20.8
165.09106	5.4
165.12794	5.0
167.08620	1.9
167.10625	1.5
169.10095	3.7
171.06531	1.5
171.08022	1.4
171.10149	4.4
171.11691	7.2
173.04472	1.6
173.09584	5.5
173.11737	11.0
173.13263	4.6
175.11151	7.3
176.64549	1.0
177.12718	5.8
179.14343	2.1
181.10127	2.6
181.12222	5.8
183.10252	1.1
183.11684	2.8
184.07350	2.9
185.09572	1.6
185.13245	3.9
187.11201	4.0
187.12950	1.1
187.14880	1.4
189.09511	1.8
189.11238	17.1
189.12794	2.7
191.10635	4.7
191.14342	1.5
193.12207	7.3
195.11804	1.8
195.13812	5.0
197.13162	2.6
199.11266	1.8
199.13194	2.4
199.14874	1.5
201.12723	3.2
201.16345	1.2
203.14241	1.5
205.12187	1.6
205.15926	1.1
209.13283	2.2
210.92984	1.0
211.13254	4.2
213.16432	2.3
215.14290	1.2
217.15962	1.3
219.13770	2.0
221.11627	1.6
221.15363	2.0
223.13268	4.0
227.12772	24.1
227.17921	3.0
229.12111	1.8
229.14319	23.9
237.16399	1.4
239.12755	2.2
239.18008	1.8
245.13799	1.3
245.18985	4.4
247.20541	1.9
249.14880	2.4
251.16316	1.6
253.17947	1.6
255.17622	2.3
257.19073	6.8
261.18484	1.9
263.20120	1.5
267.15952	3.9
269.17447	15.9
271.17038	1.9
273.18491	31.9
275.20062	21.6
283.15479	2.6
285.16910	1.7
289.17917	7.1
290.18585	1.5
291.19547	45.6
293.21075	2.5
295.15271	1.4
305.21335	1.5
307.19092	3.0
309.20694	4.1
313.16415	1.8
331.22714	2.7
347.22177	12.6
349.23688	21.4
363.21637	2.9
365.23224	26.0
367.24637	3.1
373.18512	2.5
381.22565	4.4
383.24231	10.0
397.25861	1.5
399.23804	20.3
409.26382	1.2
413.21182	2.2
423.27402	20.4
439.26974	2.2
445.29105	2.2
461.29089	1.5
463.30338	4.6
467.26208	2.5
501.31595	1.9
503.33514	6.3
507.29132	1.9
517.31500	2.2
519.33209	13.9
521.33813	1.6
525.35699	3.2
537.34637	2.3
541.35297	4.9
543.36847	10.3
553.33539	2.7
557.35199	2.1
559.36407	17.4
560.35968	1.3
561.38049	2.2
567.31049	2.2
575.35675	2.1
577.37366	6.6
585.33002	1.2
593.36713	4.0
615.39673	1.3
621.41400	3.7
623.43079	2.5
637.41083	5.4
639.42462	14.3
641.43536	2.1
655.41791	8.0
657.43652	7.9
671.41882	1.6
673.43048	8.8
687.41016	2.5
689.42505	5.4
691.44165	1.3
705.44086	4.0
723.43024	9.7
737.40552	2.3
920.50165	1.2
924.99078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	6.4
66.04704	0.9
67.05505	95.6
68.06278	1.1
69.03429	11.6
69.07069	40.4
69.84994	3.6
70.06581	0.9
71.01344	4.5
71.04997	9.2
73.02913	6.9
77.03907	1.6
79.05493	75.2
80.06277	1.7
81.03419	22.8
81.07056	100.0
82.04204	1.5
83.04979	23.5
83.08621	23.9
85.02895	8.6
85.06541	4.6
86.09694	1.1
87.04469	2.1
91.05479	62.6
92.06256	1.2
93.07042	57.8
94.04163	2.0
94.07813	1.1
95.01330	2.6
95.04971	34.9
95.08604	37.8
96.05746	3.1
97.02291	1.5
97.02893	20.6
97.06528	18.6
97.10169	30.3
98.07309	2.1
98.20831	1.1
99.04465	3.0
99.08099	3.2
101.06016	2.0
103.03970	1.0
103.05483	2.1
105.03431	1.2
105.04527	2.2
105.07029	45.5
106.07829	1.0
107.04957	25.9
107.08595	45.3
108.05759	1.4
109.02867	7.0
109.06519	28.2
109.10155	53.5
110.03625	1.1
110.07294	1.1
111.04448	8.2
111.08087	10.5
113.06017	2.4
115.05455	5.2
116.04711	12.3
116.06223	1.0
117.05504	0.7
117.07021	20.1
119.04901	2.2
119.08582	44.2
120.09444	1.0
121.02855	1.0
121.06509	14.5
121.10143	20.4
122.07305	3.8
123.04436	9.7
123.08065	15.1
123.11710	4.4
124.05196	0.9
125.05975	2.8
125.09628	26.7
127.03913	2.0
127.07525	1.8
127.11223	1.9
128.06216	3.2
129.04501	1.4
129.05490	28.7
129.06966	12.0
130.07823	1.8
131.04953	1.4
131.08565	24.2
133.06491	9.0
133.10127	22.9
134.07147	0.8
135.04410	1.4
135.06993	1.1
135.08057	22.9
135.11694	17.9
136.08813	1.5
137.05981	2.6
137.09616	39.2
138.10396	2.4
139.07518	2.6
139.11166	2.5
141.06990	2.6
142.07759	2.0
143.07028	7.1
143.08571	9.2
143.10710	1.0
145.06487	5.9
145.10121	19.2
146.07231	1.4
147.08037	13.9
147.11679	18.8
149.05948	1.3
149.09607	14.5
149.13246	5.1
151.03929	0.7
151.07567	3.6
151.11147	4.2
152.12019	1.0
153.09106	12.3
153.12737	2.9
154.07719	1.0
155.07071	0.8
155.08571	4.1
155.10612	4.2
157.06522	1.8
157.08594	15.8
157.10104	11.0
159.08060	5.5
159.11702	10.0
161.05994	0.9
161.09621	17.2
161.13255	4.9
163.07564	3.6
163.11177	15.1
165.09132	7.9
165.12758	4.0
167.08534	1.5
167.10609	1.4
169.10071	3.7
171.06532	2.0
171.07962	1.6
171.10143	9.5
171.11681	7.8
173.09615	5.4
173.11719	10.5
173.13283	3.3
175.11166	9.9
175.14758	1.3
177.09109	1.4
177.12769	6.0
179.10635	2.3
179.14270	1.5
181.10088	1.1
181.12256	3.8
183.06523	0.9
183.11665	3.3
184.07356	2.2
185.09598	2.1
185.11769	1.5
185.13245	4.2
187.11179	3.0
187.14803	2.3
189.09264	1.6
189.11189	11.9
189.12766	4.1
191.10672	4.2
191.14256	1.3
192.14253	0.7
193.12245	20.2
195.11815	1.3
195.13791	2.8
197.09651	0.9
197.13268	1.6
199.11415	1.3
199.13264	5.1
199.14845	1.2
200.14072	1.1
201.12703	2.1
201.14684	1.6
201.16370	1.0
203.10710	1.7
203.14354	0.8
203.17999	1.1
205.12196	2.2
205.15884	1.0
207.10283	0.9
207.13919	1.0
209.11621	1.8
209.13335	1.1
211.09612	1.3
211.13263	6.3
213.12885	0.9
213.16428	1.1
215.14343	1.8
215.18015	1.1
217.14281	2.3
219.13747	2.0
221.11746	7.8
223.13242	2.9
226.12036	1.4
227.12729	14.8
227.17842	2.3
229.14346	20.3
231.13751	1.2
231.17256	1.0
233.15294	1.9
233.19066	1.0
235.13182	0.9
237.16490	1.2
239.12724	6.9
239.17958	1.3
241.19423	2.2
243.17471	1.3
245.13716	1.4
245.19048	5.5
245.29752	0.9
247.13306	1.3
247.20520	1.0
249.14851	2.4
249.18576	0.9
253.14134	1.1
255.15382	1.2
255.17422	3.2
257.18823	2.0
259.20618	4.8
261.18423	4.0
262.19186	1.2
263.19989	1.6
265.14249	1.3
267.15881	4.2
269.17474	5.9
271.16949	4.1
273.18497	36.0
275.20132	7.6
277.14240	0.8
283.15338	3.3
285.16888	4.9
287.16147	0.9
289.17975	12.2
290.18649	3.0
291.19507	26.5
295.15414	4.1
299.14926	1.3
307.18991	4.0
308.19812	1.1
309.20569	1.8
313.16302	2.7
323.18451	0.8
323.22476	1.0
329.21057	1.6
331.22614	0.9
333.24081	3.4
347.18365	1.0
347.22162	15.8
349.23691	6.0
353.23236	1.1
363.21399	3.8
364.22293	1.0
365.23267	26.7
367.24762	1.0
380.84943	0.8
381.22650	10.2
383.24277	4.8
399.23792	60.5
409.25861	1.0
423.27454	4.4
439.26517	1.2
461.28818	0.8
463.30563	1.2
467.21176	0.8
467.26395	9.3
501.31714	2.5
503.33246	1.5
507.32819	1.4
519.33087	7.2
525.35822	4.6
535.32617	1.6
537.33740	0.8
541.34509	2.1
543.36841	15.3
545.35126	0.9
553.33783	4.3
557.34210	1.6
559.35602	3.1
561.37256	1.7
567.32367	0.9
577.37158	1.0
585.33740	1.0
619.40698	1.0
637.39886	5.2
639.41614	1.7
653.39777	2.7
655.41888	9.1
671.41614	6.7
673.42291	2.6
687.40021	1.5
689.42535	19.5
705.41925	2.3
723.43146	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97596	0.8
65.03944	3.9
67.05507	50.0
69.03407	2.3
69.06731	1.1
69.07072	14.2
71.04993	3.8
71.08606	0.8
73.02926	1.6
73.06557	1.5
77.03926	1.7
79.05497	64.3
81.03414	7.5
81.07058	51.4
83.04980	9.0
83.08614	7.9
85.02912	5.2
85.06532	3.5
86.09700	2.0
88.69690	0.8
91.03969	2.9
91.05484	69.0
93.07047	64.9
93.07577	1.3
94.07349	1.0
95.04975	12.9
95.08610	34.0
97.02885	3.2
97.06528	5.9
97.10183	3.9
98.20782	1.4
99.08070	2.7
103.05444	1.8
105.04501	2.6
105.07033	65.2
107.04964	7.7
107.07873	1.7
107.08596	27.9
109.02874	0.9
109.06545	7.4
109.10158	12.3
111.08064	3.2
115.05443	2.0
117.07020	17.3
119.08587	55.2
121.06518	4.3
121.10147	16.6
123.04472	0.9
123.08093	6.8
123.11713	2.0
124.99957	1.0
125.09624	1.5
127.03944	1.4
127.07552	0.9
128.06206	3.4
129.05510	1.2
129.07010	19.4
130.07742	1.2
131.08577	22.3
133.06483	1.6
133.10136	36.9
135.08087	2.2
135.11697	15.5
137.09595	2.1
141.06996	1.9
142.07799	1.6
143.08569	14.3
145.04955	1.3
145.06470	1.7
145.10124	23.0
145.44099	0.9
147.08041	2.8
147.11697	55.4
149.09644	2.9
149.13274	10.4
151.11195	2.0
155.08574	3.0
157.10147	8.8
159.08113	1.8
159.11694	17.6
161.09668	4.1
161.13258	29.8
163.11174	3.9
163.14842	3.3
163.22298	0.8
169.10127	5.1
171.10281	1.8
171.11702	27.1
173.09627	1.2
173.13258	11.4
175.14841	13.7
177.12732	3.0
179.14256	1.2
181.10014	1.4
183.11696	3.7
184.07336	5.9
185.13246	9.6
187.11147	2.5
187.14850	4.5
189.11270	1.0
189.12788	6.2
191.14122	1.3
193.12198	0.9
195.11688	2.1
195.13763	1.5
197.13301	2.3
199.14897	4.8
201.16353	1.6
205.12216	1.3
207.13802	12.6
209.13287	2.1
213.16393	2.0
217.19537	1.4
231.21048	4.2
239.17943	1.2
241.14378	1.5
241.19534	22.5
243.21124	1.4
247.17032	0.9
257.19012	4.2
259.20584	59.8
260.20749	0.8
261.22092	3.5
269.17407	1.4
271.16919	0.8
275.20145	4.0
277.21548	1.1
279.15933	19.9
281.17484	71.3
283.19083	2.0
287.20078	1.1
294.33270	1.0
297.16928	2.9
309.21848	1.0
313.21683	1.4
315.23218	3.8
331.22760	1.3
333.24283	27.1
349.23779	3.0
361.24976	0.8
429.31772	1.7
437.34229	1.1
447.32666	8.5
463.30576	1.5
465.33783	6.8
483.34732	5.3
501.35745	1.8
503.34943	1.2
512.40723	0.8
521.36133	5.6
527.36670	1.2
529.39172	4.1
539.37354	100.0
540.37177	2.6
543.36615	3.2
546.57367	1.0
554.10236	0.9
557.38428	47.4
569.38336	1.1
619.39709	1.0
647.38947	1.8
665.40460	1.6
683.40839	1.7
701.43176	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.7
67.05507	46.5
69.03423	2.1
69.07069	13.8
69.95567	3.8
70.06607	0.9
71.05000	3.9
71.08627	0.9
71.14758	0.7
73.02927	1.5
73.06554	0.9
77.03912	1.5
79.05496	65.9
81.03419	7.2
81.07056	47.9
83.04984	9.2
83.08627	6.3
85.02915	4.4
85.06544	3.6
86.09711	2.2
88.99350	0.6
91.03957	2.9
91.05483	67.5
93.07046	68.9
95.04973	14.3
95.08607	28.8
97.02905	2.0
97.06533	4.9
97.10182	4.3
99.04476	0.8
99.08097	2.8
103.05479	1.5
105.04530	3.2
105.07033	63.1
107.04975	7.7
107.08599	25.2
109.06537	7.3
109.10159	10.8
111.08098	4.0
111.11718	0.7
113.09638	1.4
115.05479	1.6
117.07015	16.2
119.08584	49.7
121.06540	3.4
121.10139	16.6
123.04440	1.0
123.08105	5.9
123.11723	2.3
125.00027	1.8
125.09617	1.7
127.03939	0.9
127.07551	1.0
128.06242	2.9
129.05508	1.0
129.07001	16.5
130.07797	1.6
131.08565	18.1
133.06523	1.5
133.10135	34.6
135.08110	2.0
135.11696	11.4
137.09583	1.6
137.13202	1.0
141.06989	1.6
142.07811	1.7
143.08553	12.3
145.06557	1.2
145.10123	22.8
147.08026	2.3
147.11693	48.2
149.09633	3.5
149.13261	7.2
151.11246	1.4
155.08595	2.7
156.09375	1.1
157.10170	8.3
158.26448	0.7
159.08087	2.0
159.11703	15.2
161.09631	3.6
161.13258	31.0
163.06007	0.9
163.11203	1.9
163.14850	2.9
165.12753	1.9
167.08574	1.0
169.10149	2.7
171.11705	26.2
173.13249	8.4
175.11208	1.1
175.14842	8.8
177.12767	2.7
179.14297	0.8
183.11754	2.5
184.07327	6.6
185.13287	6.8
187.11189	2.1
187.14864	2.0
189.11137	1.2
189.12737	7.4
193.15698	0.7
195.11751	1.9
195.13794	0.8
197.13300	2.2
199.14868	3.8
201.12875	0.8
201.16460	0.9
207.13791	16.5
209.13246	1.9
211.14810	0.9
213.16426	2.6
215.18025	1.1
217.15968	0.7
217.19460	0.8
221.13351	1.1
223.13252	0.8
227.12822	0.8
229.14256	1.3
231.17500	1.0
231.21077	3.9
233.15331	1.0
235.14862	0.8
239.17973	0.8
241.14316	1.6
241.19530	20.7
243.13756	0.7
243.21077	1.4
247.16982	1.1
257.19095	2.7
259.20575	52.7
261.22150	2.6
263.44495	0.7
269.17453	1.3
273.18561	0.9
275.19995	3.2
279.15930	20.2
281.17474	60.0
283.19064	1.5
292.67871	0.7
297.16965	1.8
315.23254	5.0
323.23618	0.8
331.22852	1.6
333.24255	39.4
349.24030	2.4
395.24371	0.9
399.23697	1.0
429.31677	2.0
437.34219	1.3
447.32675	8.5
465.33762	6.2
483.34772	3.3
501.35773	1.0
503.34979	1.7
521.36267	5.7
529.39044	2.2
539.37335	100.0
540.37671	3.0
543.36884	1.3
557.38416	37.9
558.38770	0.9
581.38257	1.0
647.38739	2.2
665.40558	1.4
683.42047	1.1
701.42310	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	915.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	50.7
69.03419	5.8
69.07063	14.7
71.05009	3.5
79.05492	43.1
80.06283	4.4
81.03403	6.5
81.07053	55.7
83.04990	7.1
83.08604	7.8
85.06534	4.4
86.09687	5.9
91.05477	41.4
92.06271	5.7
93.07048	39.3
93.41302	3.2
94.07810	4.4
95.04981	39.3
95.08606	40.2
96.05774	6.4
97.06532	9.1
98.07308	8.9
105.07033	36.1
106.07835	10.6
107.04954	51.7
107.08612	28.3
108.05721	8.8
108.09403	3.9
109.06522	16.0
109.10155	14.5
110.07293	25.2
111.08067	4.2
115.05476	4.1
116.04665	3.3
117.07027	34.4
119.04938	3.9
119.08595	23.2
120.09355	7.4
121.06500	10.3
121.10152	17.0
122.07324	7.2
123.08064	17.4
123.11737	5.2
124.99957	3.5
129.05479	12.2
129.06987	6.9
131.08569	31.2
132.09366	7.1
133.06509	24.8
133.10147	17.7
133.82442	3.7
134.07271	5.3
134.10893	7.0
135.08035	15.0
135.11676	7.3
136.08832	9.5
137.09599	5.3
143.08556	4.6
145.06465	6.7
145.10091	24.4
146.10921	40.9
147.08038	37.6
147.11743	16.7
147.12662	3.6
149.09605	18.7
157.10107	6.8
159.11707	23.1
161.09674	17.1
162.10316	5.5
163.11183	12.7
164.11969	5.6
166.14467	3.4
167.01283	3.5
171.11650	3.9
173.13257	5.5
175.11169	13.1
177.12660	4.3
178.13425	4.5
184.07353	15.2
187.14731	5.1
217.15877	7.0
246.19865	9.0
273.18445	16.2
274.19275	100.0
275.20059	16.2
292.19995	3.3
335.25803	93.1
347.22177	5.2
348.22995	19.3
349.23462	4.6
475.13449	13.1
499.37860	7.9
533.42224	4.1
578.50165	3.4
607.43323	7.5
608.44275	46.3
735.34631	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.8
66.83563	2.3
67.05511	66.2
69.03419	2.7
69.07080	21.6
71.04993	4.3
73.02927	4.1
74.09723	28.6
78.04689	4.1
79.05501	67.9
80.06277	6.6
80.16739	2.1
81.03416	15.9
81.07065	72.9
82.07838	3.0
83.04989	11.5
83.08619	12.0
85.02892	2.6
85.06546	4.5
86.09692	2.8
90.49723	2.2
91.05487	100.0
92.06263	8.0
93.06493	3.7
93.07052	67.4
94.04189	3.3
94.07836	5.5
95.01336	2.6
95.04974	54.1
95.08614	51.3
96.05736	6.0
97.06532	19.8
97.10189	3.9
98.07310	4.6
99.08103	3.9
99.52876	2.2
103.05468	3.6
105.04568	2.9
105.07036	81.8
106.07794	7.8
107.04969	52.7
107.08603	32.7
108.05725	8.6
108.09393	3.7
109.06528	17.5
109.10167	14.3
110.07319	25.7
111.08082	8.7
115.05462	4.4
116.04652	4.1
117.06234	4.8
117.07025	64.3
118.07793	7.7
119.04921	4.7
119.08592	67.6
120.09366	6.3
121.06518	13.4
121.10148	24.2
122.07281	9.3
123.08057	23.8
123.11633	3.8
124.08913	2.3
124.99949	2.8
125.09621	3.4
128.06253	4.4
129.05518	13.7
129.07010	28.3
130.07808	4.4
131.04950	3.0
131.08575	73.1
132.09402	12.6
133.06493	29.4
133.10146	41.2
134.07330	3.4
134.10899	7.6
135.08080	21.9
135.11690	15.2
136.08844	6.3
137.09613	3.6
141.06981	6.7
142.07750	3.9
143.08571	24.3
144.09340	3.7
145.06491	9.3
145.10133	50.9
146.07281	2.5
146.10910	38.7
147.08064	41.5
147.11700	33.9
148.08858	4.6
149.09636	28.7
149.13269	7.5
151.11194	7.7
155.08537	9.4
157.06400	2.6
157.08858	3.6
157.10138	21.6
158.10817	4.2
159.08075	6.1
159.11705	46.8
160.12405	3.4
161.09625	14.1
161.13286	18.1
161.69109	2.2
162.10425	6.5
163.11220	16.1
163.14822	4.8
164.11935	3.5
167.08624	2.8
169.10133	9.5
171.08054	4.1
171.11720	22.4
172.12462	3.1
173.09624	5.7
173.13260	24.0
175.11180	10.4
175.14836	7.7
177.12738	6.4
178.13504	3.2
180.34457	2.4
181.10139	6.8
183.11691	10.6
184.07349	7.1
185.09639	4.0
185.11867	3.0
185.13261	15.1
187.11142	6.1
187.14767	11.4
189.12704	3.9
189.16457	2.5
195.11711	5.6
197.13330	4.7
199.11159	3.9
199.14798	8.7
201.12791	4.2
201.16399	6.0
207.11725	3.1
209.13226	3.5
211.14803	3.6
213.16406	5.1
215.14330	3.8
215.17972	2.7
217.15862	5.5
223.15002	3.0
227.17989	5.0
229.19542	5.4
239.16129	3.4
239.18202	5.5
241.19553	13.4
245.15379	6.2
245.18948	4.1
246.19754	6.1
249.16412	2.8
255.17502	5.7
257.18948	16.0
258.19836	5.1
259.17337	2.5
259.20526	18.4
273.18561	19.5
274.19296	62.9
275.20047	25.7
276.20959	2.5
279.15936	9.5
291.19565	3.0
292.20163	5.8
313.21631	3.4
314.22363	6.3
315.23032	8.4
327.26892	7.3
329.21292	2.6
331.22607	4.2
333.24246	53.8
347.22162	8.3
348.22980	18.4
349.23999	11.9
350.23831	3.9
351.25433	2.5
475.13583	13.2
513.36169	9.8
514.36383	9.1
527.37244	7.5
528.37878	2.6
531.37994	7.8
537.35376	4.1
549.39410	6.8
555.37164	4.4
563.38068	2.4
579.57837	2.4
605.41986	39.4
606.42902	27.2
623.33466	3.1
623.43091	48.6
624.43860	31.7
625.43872	4.0
733.32965	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	910.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	6.2
67.05506	84.7
69.03419	4.0
69.07066	33.6
70.06588	3.3
71.04980	7.7
71.53352	2.4
75.00023	3.9
76.99746	3.6
79.05495	61.6
81.03416	11.0
81.07059	100.0
82.07401	2.0
83.04975	9.4
83.08621	23.5
85.00044	1.6
85.00554	1.7
85.02883	4.0
85.06529	3.3
86.09708	18.5
87.04443	2.5
91.03989	1.7
91.05482	58.5
92.05791	2.0
93.07047	57.6
95.04961	14.6
95.08609	41.2
97.02882	2.8
97.06520	12.0
97.10172	15.3
99.08123	4.1
103.05404	1.8
105.07030	53.4
107.04975	10.2
107.08599	41.5
107.26730	1.9
108.08873	2.3
109.06513	13.8
109.10155	39.2
111.04437	3.4
111.08073	9.4
115.05435	3.7
117.07020	34.3
119.08578	43.8
121.06493	7.6
121.07365	1.7
121.10152	21.1
123.08089	12.4
123.11693	7.7
124.99995	6.3
125.09628	15.7
128.06177	1.9
129.07004	7.9
130.07765	4.2
131.08568	33.3
133.06499	4.2
133.10135	41.0
134.10461	2.4
135.08069	6.8
135.11726	13.1
137.09596	8.3
139.11195	2.4
139.16261	1.7
141.07011	3.8
143.08571	8.3
145.10117	30.9
146.10397	2.3
147.08052	4.8
147.11690	22.7
149.09618	13.9
149.13249	14.3
150.09958	2.2
151.11162	3.4
153.12778	2.5
155.08534	6.0
155.10684	2.0
157.10118	8.1
159.11710	22.6
160.12004	1.7
161.09605	6.0
161.13202	5.5
163.11194	15.1
165.09055	3.9
169.10074	6.6
171.10281	1.8
171.11693	6.4
173.11725	5.7
173.13260	10.8
175.11150	5.5
175.14868	2.1
177.12773	5.4
183.11671	6.2
184.07333	40.9
185.13240	5.7
187.11093	2.5
187.14902	2.4
189.11192	6.0
189.12735	3.5
191.10660	1.6
193.10170	1.9
193.12122	2.5
195.13786	2.2
197.13190	4.8
209.13315	2.1
227.12720	11.2
229.14352	22.7
229.19400	4.0
239.17931	8.6
247.20554	4.2
255.17397	1.9
257.18976	23.0
259.20712	1.9
269.17474	25.0
273.18497	11.1
274.18863	2.6
275.20050	54.3
276.20413	2.3
287.14066	4.2
289.13818	3.7
291.19583	18.5
292.19888	4.1
293.21036	5.2
309.20532	3.0
331.22791	8.3
337.19528	1.6
347.21933	4.2
349.23721	40.7
350.24048	2.6
365.23126	9.3
366.23599	1.8
367.20444	4.3
367.24734	14.5
383.24316	4.2
385.21396	42.5
387.21091	4.6
403.20770	10.3
451.32059	2.6
485.31537	2.0
503.33865	10.2
513.35944	1.9
519.32794	3.0
525.35541	10.1
539.31213	18.3
543.36755	22.2
555.30615	2.0
557.30505	7.6
561.33136	2.5
579.34375	54.5
597.33795	15.8
605.41339	3.9
621.41766	3.3
623.43103	15.0
639.42218	10.5
641.44031	12.8
657.43011	5.2
659.40637	29.1
677.41278	26.0
695.40668	5.8
705.37744	1.8
723.37036	2.2
735.39056	2.1
910.51062	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	909.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.6
69.03433	1.7
69.07067	1.8
70.06573	0.4
71.01372	0.4
71.04978	0.5
72.08097	0.3
73.02923	2.6
79.05499	2.4
81.03417	1.4
81.07066	3.8
83.01111	1.0
83.04991	0.8
83.08625	1.0
85.02910	4.3
86.09710	1.7
87.04468	0.4
89.54121	0.2
91.03963	2.3
91.05471	1.8
93.07050	2.5
95.01071	0.5
95.04965	0.9
95.08609	1.2
96.01864	0.4
97.02892	3.3
97.06528	0.7
97.10167	0.8
99.04466	1.0
101.02384	1.1
103.03899	0.2
104.10705	0.3
105.07022	1.5
107.04959	0.9
107.08564	1.7
109.02868	1.0
109.06543	0.5
109.10176	0.7
111.04406	0.4
117.05538	0.6
117.07018	0.5
119.08550	1.2
121.02681	0.4
121.06510	0.3
121.10180	1.4
123.04269	0.9
123.08080	0.7
125.00021	1.1
125.09665	1.2
127.03915	1.2
127.11182	0.6
128.06342	0.3
129.05473	1.6
131.08603	1.0
133.06561	0.3
133.10146	0.6
135.08087	0.6
135.11722	0.8
137.09616	0.4
139.11230	0.3
143.08572	0.3
145.04996	0.7
145.10153	1.0
147.08119	0.3
147.11697	0.6
149.09651	0.9
151.07462	0.3
155.08601	0.3
157.08569	0.3
157.10139	0.3
159.11734	0.4
161.09714	0.3
163.07352	0.3
163.11217	0.5
167.10739	0.4
171.10301	0.4
175.11118	0.5
181.04688	1.4
181.12286	0.5
184.03592	0.7
184.07318	4.2
184.08794	0.4
185.04199	5.1
185.07668	0.5
189.11217	0.5
195.06320	0.5
199.05898	1.0
199.13333	0.4
201.03749	1.9
201.14934	0.6
203.05360	0.8
218.07553	0.2
221.11623	0.4
223.13217	0.4
227.05367	0.3
229.14279	0.6
241.06860	0.5
243.08388	4.2
251.12358	0.3
259.07977	0.5
265.14145	0.8
273.18387	0.6
275.20139	0.6
279.12082	0.9
291.19641	0.7
301.08954	14.5
313.09030	1.0
315.10495	3.6
317.08533	0.5
319.15378	0.3
319.18857	0.4
327.10577	0.9
329.12167	0.7
331.18686	0.5
341.12186	1.2
343.10071	0.4
343.13821	0.6
349.19858	6.0
349.23584	0.5
355.13846	0.9
357.15262	1.3
360.10199	0.3
369.15326	1.0
371.16769	1.4
373.11093	4.4
373.18686	0.3
375.21658	1.2
383.16986	1.4
385.11050	0.4
385.18323	9.5
387.12842	1.0
389.22992	1.4
395.16785	0.3
401.14154	0.4
405.22397	0.7
413.17947	0.7
415.15723	0.8
425.17920	1.2
429.17551	1.0
433.22034	0.4
439.19324	0.6
441.16882	0.4
443.18777	1.8
447.23544	3.2
451.19577	0.8
457.20731	1.8
461.24792	0.3
463.22937	0.4
465.24661	0.7
467.19016	0.3
469.20663	0.8
471.22272	0.5
477.24792	0.3
479.19196	0.3
481.20264	0.3
483.22040	0.4
485.19766	5.8
493.23990	1.4
497.19601	2.4
499.21008	1.6
511.21875	0.6
513.26318	0.3
527.28052	0.8
531.32965	2.4
537.27295	0.4
539.20868	0.6
540.21979	0.7
549.26697	0.4
555.27356	0.4
557.22070	4.1
565.25793	0.4
567.27771	11.7
569.29425	3.1
577.33411	0.7
581.28900	0.5
583.30444	1.1
593.29248	0.3
595.30701	0.8
608.27783	1.4
609.28558	0.7
611.29944	0.5
623.30762	0.6
624.31689	0.3
626.29309	1.3
639.29834	6.7
641.31488	4.6
642.32312	0.5
653.31256	1.4
667.32874	2.7
681.34692	1.2
692.37280	0.9
693.38562	0.5
695.35620	0.6
709.37323	1.4
710.38098	1.9
727.38824	0.8
739.38794	0.7
751.38574	4.4
793.40509	0.8
823.41388	1.6
877.65094	0.3
891.46698	2.2
909.48395	100.0
910.48615	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	908.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	5.2
67.05504	58.0
69.03422	4.4
69.07066	23.9
70.06602	1.5
71.04993	4.1
71.52457	1.2
75.00016	2.7
76.99744	4.7
79.05493	57.4
81.03416	12.7
81.07056	100.0
82.07363	1.5
83.04983	13.1
83.08148	1.8
83.08622	22.0
85.02908	4.4
85.06530	2.3
86.09695	6.2
87.04533	0.9
91.05479	54.6
91.22207	1.0
92.05779	1.6
93.07044	45.8
94.07371	1.8
94.08685	0.9
95.04967	20.7
95.08606	29.4
97.02907	2.4
97.06534	10.2
97.10169	20.7
99.04457	3.2
99.08091	3.0
103.05468	1.9
105.04524	1.5
105.07032	48.2
107.04955	15.9
107.07874	1.8
107.08596	30.8
109.02901	1.2
109.06509	13.4
109.10150	15.9
111.04449	10.3
111.08071	8.8
113.01537	1.0
115.05457	3.8
116.06248	2.1
117.07020	27.2
119.04934	2.3
119.08575	43.5
120.08887	1.5
121.06493	10.0
121.10142	20.3
122.10517	1.1
123.04401	1.4
123.08076	21.8
123.11703	5.1
125.00024	1.4
125.09639	18.2
127.03085	1.2
128.06236	3.5
129.05501	1.6
129.07004	15.8
130.07843	1.9
131.08565	28.6
133.06479	4.7
133.10129	29.4
135.08031	9.2
135.11688	11.9
137.09604	6.2
139.11186	1.8
141.06924	3.0
142.07756	3.8
143.08545	9.5
145.06493	3.3
145.10129	32.0
146.10503	1.0
147.08034	12.3
147.11690	16.4
149.09621	12.6
149.13260	2.8
151.11153	2.7
153.04747	1.2
153.06955	1.0
153.09120	2.6
153.12743	5.5
154.07718	1.1
155.08562	4.2
156.09282	1.4
157.10149	11.4
159.08076	3.5
159.11691	18.9
161.09639	10.1
161.13219	4.9
163.11180	17.2
165.09108	3.6
165.12720	1.6
167.10703	1.0
169.10094	6.7
171.10127	2.8
171.11699	7.0
173.09628	5.0
173.11839	1.4
173.13269	7.6
175.11221	6.3
175.14766	1.6
177.12785	2.7
179.14325	1.4
181.12271	4.1
183.11732	4.6
184.07303	9.3
185.09560	2.6
185.13254	4.1
187.11215	2.8
187.14888	2.0
189.11244	11.8
189.12747	2.1
191.10643	4.2
191.14297	1.2
193.12280	3.6
195.11632	1.3
197.13269	3.9
199.11136	1.2
201.12819	1.6
211.14795	1.4
213.12874	1.0
213.16483	1.7
219.13911	1.0
223.13303	3.6
227.12776	15.6
227.17883	2.5
229.14284	2.4
229.19550	3.7
237.16463	1.7
239.17992	7.0
245.19052	3.1
247.20644	1.8
249.14890	2.1
255.17467	4.2
257.18979	15.9
259.20691	1.0
267.16013	1.4
269.17480	2.0
273.18488	32.7
274.18903	1.8
275.20041	21.8
283.15393	3.3
287.14236	2.0
291.19525	53.3
292.19824	2.3
293.20706	2.0
305.13303	1.9
309.20685	7.1
311.17572	1.7
329.20990	1.3
331.22665	7.0
347.22183	9.5
349.23819	12.5
365.23230	37.7
366.23349	2.1
367.20273	3.3
367.24481	2.1
383.19858	1.7
383.24265	18.2
385.21426	38.6
401.20828	3.9
402.21255	1.9
403.20737	10.7
519.33228	1.2
536.23792	1.3
537.29724	2.3
543.35614	1.2
555.30634	1.8
577.32507	3.9
595.33380	7.1
612.33740	1.2
621.41516	12.0
639.42468	16.5
657.44196	11.6
675.40039	32.4
693.40771	33.4
709.40753	1.1
711.40765	5.3
800.93536	1.1
862.45459	1.7
908.50226	8.8
909.50116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25108	1.7
65.03936	3.1
67.05508	78.7
68.05827	1.9
69.03419	4.4
69.07068	33.6
70.06589	3.5
71.04974	6.9
72.08154	2.0
73.02885	3.1
79.05496	57.0
81.03416	9.6
81.07057	100.0
83.04977	11.6
83.08618	23.0
85.02896	5.5
85.06518	4.4
86.09711	9.8
86.63927	1.5
91.03995	1.8
91.05479	56.0
91.83138	1.5
93.07041	62.4
95.01261	2.0
95.04964	19.3
95.08611	32.3
97.02898	3.3
97.06539	17.0
97.10166	19.4
99.04449	3.2
99.08085	4.5
103.03901	1.7
105.04494	2.8
105.07031	44.3
107.04958	22.0
107.08590	40.8
108.08938	2.3
109.06534	19.7
109.10156	41.6
111.04440	5.2
111.08079	11.4
113.05991	1.8
115.05475	3.4
117.01067	1.9
117.07005	21.5
119.04893	2.8
119.08582	45.8
121.06505	13.9
121.10143	20.8
123.08081	20.4
123.11677	5.1
123.97427	1.7
124.99991	3.9
125.09632	19.2
128.06221	2.1
129.06979	9.5
130.07811	1.8
131.08577	30.7
133.00517	1.9
133.06479	7.4
133.10146	25.7
135.08061	12.0
135.11658	17.2
137.09613	9.6
139.11169	2.1
141.06979	3.1
143.08577	12.4
145.09058	2.5
145.10117	29.3
147.08075	15.0
147.11688	12.0
149.09653	16.2
149.13255	9.3
151.11201	4.5
153.09099	2.2
153.12711	1.8
155.08554	2.9
157.10143	10.7
159.08028	3.9
159.11682	18.9
161.09630	13.0
161.13243	5.9
163.11151	17.8
163.14748	2.3
165.12715	2.4
169.10046	5.5
171.10210	2.9
171.11679	12.1
172.87546	1.6
173.09630	5.3
173.11702	7.8
173.13260	6.8
175.11192	7.6
177.12720	5.8
181.10118	3.5
181.12280	2.7
183.11662	3.7
184.07347	22.0
185.09660	1.9
185.13298	4.0
187.11237	2.0
189.11221	6.9
189.12730	2.3
191.14391	1.6
193.12273	3.7
195.13789	5.3
197.07289	4.1
197.13300	1.7
205.12357	1.7
215.14281	2.4
223.13358	3.9
227.12726	15.1
227.17876	2.4
229.14343	23.7
237.16403	2.7
239.18044	3.9
245.18980	3.9
247.20638	2.9
249.14832	2.7
255.17537	7.9
257.18958	9.9
259.20645	2.0
269.17514	29.6
273.18484	38.4
275.20071	34.9
276.20047	2.0
287.14273	2.9
291.19568	49.6
293.21054	7.9
309.16214	5.6
327.17273	1.9
329.21008	2.1
331.22684	4.4
347.22214	12.7
349.19812	2.9
349.23755	41.1
365.23245	14.2
367.24817	19.0
383.19888	26.7
383.24341	5.3
385.21237	6.4
401.20868	56.7
492.22443	1.7
501.31866	2.2
519.33313	11.7
522.77618	2.5
537.29077	11.6
541.35187	7.1
555.30841	26.4
559.36597	10.8
577.32910	37.4
595.33990	46.0
621.41406	13.6
635.36829	2.4
639.42731	22.9
657.39532	17.8
675.40161	40.2
693.41144	23.3
908.49609	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	906.54
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.5
66.58336	1.0
67.05508	92.3
69.03431	7.7
69.07070	36.5
70.06584	2.1
71.01349	1.4
71.05010	6.9
71.44901	0.9
71.52077	0.9
73.02907	2.6
77.03936	1.1
79.05494	57.2
81.03423	13.1
81.07058	100.0
83.04987	13.4
83.08617	24.1
84.08126	1.6
85.02898	3.5
85.06564	4.5
86.09705	2.7
87.04453	0.8
91.05484	48.4
92.05793	1.1
93.07047	54.0
95.01321	1.4
95.04971	18.8
95.08611	36.9
97.02892	6.4
97.06535	17.0
97.10172	22.0
99.04446	2.5
99.08101	4.2
103.05456	2.5
105.03393	1.2
105.04550	1.9
105.06307	1.4
105.07033	37.9
107.04971	14.1
107.08596	44.6
109.02894	2.3
109.06515	17.5
109.10157	44.0
109.10931	1.6
110.59119	1.1
111.04462	7.4
111.08072	10.7
112.26318	0.9
113.06013	0.8
113.09662	1.4
115.05399	2.1
116.04705	1.8
116.06187	1.3
117.07021	19.3
119.04926	1.7
119.08585	36.2
121.06492	10.5
121.10148	21.5
122.07284	1.1
123.04443	2.8
123.08080	14.9
123.11729	4.7
125.06008	1.3
125.09624	21.7
127.03942	1.3
128.06235	2.3
129.05498	5.1
129.07008	9.2
130.07698	0.8
131.04974	1.2
131.08572	22.0
133.06502	4.9
133.10143	22.9
135.08044	12.4
135.11679	15.1
137.09608	14.2
138.94989	0.9
139.11200	1.4
141.06981	1.8
142.07806	1.9
143.07057	1.7
143.08560	8.6
145.06494	3.3
145.10129	22.4
147.08066	9.9
147.11681	16.4
149.09625	17.5
149.13263	11.0
151.07594	1.2
151.11189	4.2
153.09108	4.1
153.12735	3.9
155.08566	3.6
155.10655	3.9
157.08623	2.5
157.10132	9.1
159.08052	3.7
159.11681	15.7
161.09601	7.1
161.13261	4.1
163.11186	17.0
163.14819	1.3
165.09084	5.4
165.12810	2.7
169.10112	4.2
171.08000	1.4
171.10168	3.9
171.11688	6.0
173.09637	4.2
173.11746	8.4
173.13261	5.6
175.11229	6.5
177.09119	1.1
177.11349	1.1
177.12665	4.9
179.14305	3.0
181.10081	1.5
181.12251	4.5
183.11700	4.1
184.07297	3.0
185.09663	1.5
185.13297	3.5
187.11214	3.1
187.14894	1.7
189.11234	12.9
189.12788	1.9
191.10681	3.0
191.14281	1.6
193.12248	5.9
195.13805	2.6
197.13257	2.5
199.11240	1.8
199.14751	1.4
201.12866	1.9
201.16458	1.1
205.12263	1.6
207.13628	1.4
211.13266	2.4
213.12854	1.4
213.16508	1.7
215.14384	1.3
217.15939	1.3
219.13843	1.0
221.11719	1.9
223.13332	3.2
225.14893	1.2
227.12776	22.7
227.17848	1.8
229.14319	25.9
229.19406	2.2
233.15439	1.1
239.12871	1.0
239.17932	2.5
241.14410	0.9
245.13914	1.3
245.19037	2.1
247.16907	1.0
247.20755	1.5
249.14717	2.2
257.19028	5.9
259.15402	1.6
263.20053	1.6
267.15881	2.2
269.17441	15.9
271.16974	1.6
273.18484	24.5
275.20059	33.5
283.15372	2.2
289.17990	4.0
291.19534	37.9
293.20996	4.7
307.19022	1.5
309.20633	2.5
313.16516	1.3
331.22675	1.8
347.22113	8.5
349.23767	29.4
365.23264	19.9
367.24826	8.5
373.18710	1.7
381.22592	3.2
383.24292	9.3
399.23862	14.5
409.26184	1.1
413.21942	1.8
423.27402	13.1
445.29440	2.2
449.28821	1.5
451.32248	1.4
463.30771	7.3
467.26425	2.2
501.32053	1.5
503.33798	7.7
507.29379	2.0
517.31262	1.4
519.33197	13.9
521.34637	3.3
525.35333	3.0
529.35333	2.1
535.32178	1.4
537.34125	2.7
541.35168	4.0
543.36792	18.7
553.33099	2.5
559.36377	12.9
561.37573	4.1
575.36432	3.2
577.37201	3.5
593.36719	7.8
607.34479	4.1
621.41071	4.2
623.43060	4.7
639.42645	15.6
641.43823	4.3
655.42322	1.0
657.43573	11.1
663.37823	1.9
673.42920	7.9
675.44604	1.6
687.40875	2.0
691.44513	9.3
906.46564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	5.7
67.05508	75.3
68.05820	2.6
68.06268	1.7
69.03432	8.3
69.06734	2.2
69.07070	29.1
71.01360	2.1
71.04993	10.0
73.02907	5.7
75.00028	1.7
77.03926	2.0
79.05495	70.3
80.06321	1.4
81.03429	12.2
81.07058	73.0
83.04977	23.3
83.08152	2.7
83.08619	41.0
85.02888	6.2
85.06529	4.3
86.09695	2.4
87.04446	1.5
91.05482	62.1
92.05761	2.2
93.07045	64.2
94.04169	2.3
95.04974	87.1
95.08606	39.2
95.51191	1.5
96.05753	4.5
97.02892	3.7
97.06528	15.9
97.10174	25.5
99.04446	6.3
99.08075	3.8
103.05444	3.6
105.07036	50.3
107.04953	23.2
107.08594	51.1
108.08927	1.5
109.06518	20.2
109.10168	33.4
111.04436	12.6
111.08090	10.3
115.05448	5.0
116.04691	11.4
117.01066	2.0
117.07024	22.5
119.04947	1.9
119.08588	42.5
121.06512	14.9
121.10143	29.0
123.08087	16.6
123.11685	4.2
124.99953	2.4
125.05936	2.1
125.09633	27.1
127.11208	2.6
128.06262	2.4
129.05490	25.8
129.06987	12.5
130.07777	1.6
131.02583	1.8
131.08583	29.1
133.06506	6.4
133.10138	30.0
134.10493	2.3
135.08063	16.6
135.11697	16.7
137.05984	2.0
137.09631	11.0
138.94855	1.5
139.11151	4.6
141.06949	2.3
143.07033	6.2
143.08598	10.4
143.10710	2.6
145.06490	5.7
145.10126	35.3
147.08087	10.4
147.11687	15.6
149.09624	43.7
149.13179	4.7
151.07550	2.4
151.11156	5.1
153.09056	4.3
153.12743	3.2
155.08522	4.3
157.08594	15.9
157.10120	8.9
158.05698	1.7
159.08052	3.0
159.11720	18.0
161.09641	9.9
161.13248	6.8
163.07455	2.1
163.11174	42.9
165.09103	3.2
165.12733	6.4
167.10719	2.4
169.10080	7.3
171.06593	1.8
171.10162	8.0
171.11676	6.6
173.09570	5.6
173.11710	5.6
173.13229	8.2
175.11234	7.5
177.12764	4.9
179.10583	2.3
181.12270	3.4
183.11687	5.5
184.07327	13.7
185.13272	3.8
187.11165	4.8
187.14777	1.8
189.11212	17.6
189.12764	3.7
191.10684	3.3
191.14328	2.2
193.12285	4.3
197.07237	1.7
197.13214	2.3
197.28535	1.6
199.11620	1.8
199.13271	10.0
200.13957	1.8
201.14772	2.6
205.12207	7.8
211.13240	5.4
211.14996	2.1
215.14287	1.8
215.17867	1.9
223.13271	56.2
227.12799	7.2
227.17903	2.6
229.14130	8.9
229.19514	5.9
239.17972	7.3
247.20650	4.3
257.19012	15.4
261.18466	1.8
267.15823	2.0
269.17096	1.9
271.16959	2.2
273.18582	15.8
275.20071	91.0
285.16949	2.9
289.17929	7.2
291.19662	12.1
293.21140	51.7
311.22134	3.3
313.27267	5.4
325.15573	7.0
347.22156	5.6
349.23752	43.0
363.21603	2.1
365.23273	5.8
367.24786	69.8
383.19839	9.6
399.19287	11.7
401.19452	2.8
417.20410	100.0
449.71249	1.6
454.29428	3.5
489.06241	1.6
491.33514	2.0
503.33618	5.3
509.34531	2.9
521.34760	23.2
547.39215	2.0
621.41614	1.8
623.43011	2.6
639.42169	4.4
657.40350	5.5
673.37482	3.9
675.40881	8.8
691.39575	34.5
709.40747	88.8
710.41003	3.5
868.99823	2.0
906.47656	2.7
907.52380	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	904.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.9
65.89087	1.0
67.05509	71.5
69.03434	6.6
69.07073	30.7
70.06595	4.0
71.01364	1.1
71.05009	9.9
71.09566	1.1
71.52448	1.2
72.08175	1.3
73.02922	2.1
79.05499	58.7
81.03423	19.6
81.07061	100.0
83.04988	17.7
83.08624	24.5
85.02911	4.6
85.06548	4.2
86.09708	8.4
91.05486	46.6
91.33686	1.0
93.07051	54.0
95.04971	24.2
95.08610	30.5
97.02889	4.3
97.06536	15.8
97.10175	26.6
99.04467	2.6
99.08098	3.3
101.06050	1.1
103.05467	2.0
105.07037	39.9
106.53948	1.0
107.04965	13.9
107.08599	38.4
109.02888	2.8
109.06521	18.0
109.10165	40.3
111.04460	12.8
111.08087	12.0
113.06015	1.5
113.09647	1.2
115.05482	2.1
116.04758	1.1
117.07030	19.8
119.04934	1.9
119.08589	36.2
120.08106	1.7
121.06510	10.0
121.10145	20.5
123.04466	3.1
123.08075	22.2
123.11742	2.9
125.00029	1.3
125.05973	2.6
125.09645	27.4
127.03937	1.4
128.06297	1.9
129.05482	4.5
129.07016	10.8
130.07791	1.8
131.08582	25.9
133.06509	7.0
133.09135	1.3
133.10144	22.8
135.08049	16.8
135.11699	16.3
137.06020	1.2
137.09619	11.3
139.07545	1.4
139.11221	2.8
141.07063	2.5
141.10173	1.6
142.07799	2.4
143.08571	8.4
144.09381	1.4
145.06502	4.2
145.10130	23.7
147.08060	12.6
147.11693	14.7
148.12189	1.0
149.09634	14.0
149.13237	6.8
151.07526	3.7
151.11177	3.0
153.09097	5.6
153.12756	6.4
155.08565	4.3
155.10617	2.2
157.08844	1.9
157.10143	10.3
159.08038	2.9
159.09276	1.4
159.11687	11.9
161.09645	9.2
161.13257	2.6
163.07524	1.2
163.11194	22.3
165.09145	5.6
165.12744	3.0
169.10034	5.0
171.10262	2.1
171.11714	7.7
173.04584	1.0
173.09631	5.2
173.11758	5.8
173.13269	4.4
175.07608	1.1
175.11185	8.2
177.12775	4.7
179.10675	1.1
179.14363	1.2
181.10402	0.9
181.10873	1.2
181.12230	7.9
183.11725	4.1
184.07353	4.6
185.09596	1.8
185.13263	2.9
187.11215	3.3
187.14792	1.3
189.11258	13.8
189.12807	2.6
191.10690	5.4
191.14304	1.7
193.12241	10.4
195.11900	0.9
195.13843	3.2
197.13290	2.3
199.11316	1.6
199.13164	1.3
199.14908	1.4
201.12868	1.7
203.14305	1.8
205.12276	2.7
207.13872	1.1
209.11659	1.7
211.13309	4.1
213.12851	1.2
213.16328	2.0
219.13878	1.0
223.13258	5.1
227.12778	27.4
227.14914	1.4
227.18018	3.2
229.14325	19.9
229.16261	1.9
233.15520	1.6
245.13809	1.6
245.19009	3.5
247.20483	1.7
249.14937	2.3
251.16562	1.3
255.17442	4.1
257.19040	6.4
263.20105	1.4
267.15915	7.9
269.17496	15.9
271.17017	2.2
273.18518	34.3
275.20099	19.6
283.15445	4.5
289.18005	5.2
291.19559	67.5
293.21243	2.4
307.19034	3.4
309.20654	7.9
331.22659	2.1
347.22186	12.9
349.23782	17.2
363.21655	2.9
365.23224	43.7
367.24631	3.1
378.02435	1.2
381.22690	3.9
383.24252	16.7
397.26065	1.4
399.23825	17.9
413.21820	3.8
421.25531	1.6
431.28079	1.1
439.27020	9.8
445.29633	1.2
456.85712	1.2
461.29318	5.1
479.30255	5.4
493.31683	1.5
501.32031	3.5
519.33130	28.6
523.34338	2.2
527.33588	1.5
535.32666	2.5
537.34418	12.0
541.35260	16.2
551.35657	2.0
559.36365	50.4
573.37860	2.0
577.37402	20.1
591.39032	4.9
621.41614	6.3
637.41180	1.6
639.42596	19.4
653.41449	1.9
654.41370	1.3
655.41736	5.8
657.43506	11.7
663.37842	1.4
671.43207	7.4
673.42841	2.9
675.43408	1.7
685.39087	2.2
689.42712	15.6
697.09875	1.4
703.41199	5.8
707.43591	12.1
721.41602	5.4
867.21490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.9
67.05510	100.0
67.66917	1.0
69.03431	8.2
69.07074	47.8
70.06596	1.8
71.01360	1.7
71.04671	1.0
71.05004	13.5
71.08642	1.3
72.08143	1.0
73.02908	2.8
77.03923	1.7
78.70661	1.1
79.05497	67.1
80.06281	1.0
81.03420	14.0
81.07061	96.2
83.04989	15.4
83.08158	1.8
83.08626	31.4
85.02914	8.2
85.06549	5.8
86.09711	3.7
91.05486	68.2
93.07048	80.5
94.07349	1.3
95.01272	1.3
95.04973	29.6
95.08613	47.9
97.02890	5.2
97.06541	21.7
97.10181	11.3
99.04449	3.4
99.08096	4.7
103.05459	1.9
105.04528	1.8
105.07037	59.7
107.04967	16.1
107.08601	45.3
109.02867	2.6
109.06529	11.8
109.10163	33.3
111.04494	5.2
111.08086	10.9
113.09662	1.0
115.05447	3.6
117.07030	23.4
119.04971	1.0
119.08592	47.2
121.06503	6.6
121.10146	28.9
123.04417	2.1
123.08061	8.5
123.11700	6.0
125.05988	1.3
125.09625	9.6
127.03929	3.3
127.07550	1.1
128.06219	2.0
129.05486	1.9
129.07022	11.7
130.07849	2.0
131.04938	1.2
131.08577	29.0
133.06488	3.3
133.10141	35.9
135.08081	7.5
135.11696	21.1
137.09586	9.9
139.07558	1.2
139.11166	2.9
141.06981	2.7
142.07794	2.4
143.08577	8.8
145.06491	2.3
145.10130	25.9
147.08061	5.6
147.11703	22.5
149.09628	21.8
149.13272	20.2
150.27863	1.0
151.11183	4.1
153.09138	2.8
153.12767	1.1
155.08525	2.5
155.10683	2.5
156.09331	1.1
157.10158	9.5
159.08066	1.9
159.11696	21.5
161.09596	5.4
161.13283	10.6
163.05922	1.3
163.11195	20.8
163.14807	1.4
165.09097	2.3
165.12717	4.8
167.08517	1.7
167.10724	1.4
169.10068	4.6
171.10231	2.3
171.11632	8.9
173.04610	1.5
173.09532	2.6
173.11723	6.8
173.13271	9.1
175.11176	4.7
175.14824	4.3
177.12701	5.6
179.10666	1.3
179.14284	3.2
181.10103	1.6
181.12300	1.9
183.11725	5.0
184.07318	6.5
185.13283	5.9
187.11221	2.8
189.11197	5.0
189.12720	2.5
191.14296	2.3
193.12273	3.8
195.13783	8.1
197.13258	3.8
199.13243	1.7
199.14847	3.0
205.12241	2.4
205.15895	1.2
211.13208	2.9
211.14946	1.6
213.16415	1.9
223.13301	10.5
227.12691	5.7
227.17943	1.2
229.14331	15.5
229.19495	1.9
239.17923	4.7
241.19559	8.4
245.19159	1.2
247.14577	1.4
247.20612	3.1
253.14218	1.6
255.15935	4.4
257.18985	10.1
259.20612	24.9
267.15942	7.7
269.17493	34.4
273.18393	4.6
275.20074	46.5
285.16824	1.4
289.18118	1.5
291.19489	5.8
293.21140	12.9
315.23221	2.3
317.85245	1.2
329.21103	1.9
331.22681	2.8
333.24222	14.2
347.22107	3.0
349.23764	30.3
365.23370	6.0
367.24930	10.7
373.18646	3.2
397.25824	1.5
409.25595	5.1
423.27356	8.0
435.32614	3.2
445.29404	2.1
449.29016	3.9
453.33704	1.9
463.30518	3.6
471.35098	1.2
479.29541	2.0
503.33731	10.2
509.36462	2.2
517.38428	1.5
521.34814	15.3
525.35577	2.0
527.37390	28.3
529.34973	2.6
543.36816	15.2
545.38507	12.1
547.35992	1.3
559.36450	2.4
561.37811	14.4
600.26129	1.4
607.34247	1.5
621.41278	1.5
623.43109	7.9
639.42139	4.3
641.44147	11.0
657.43085	4.0
659.44055	1.6
689.44397	1.3
705.41919	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.5
67.05508	69.8
68.05824	0.8
69.03429	8.7
69.07071	34.2
69.19711	7.9
70.06593	2.1
71.01352	2.5
71.04994	4.8
72.08135	0.8
73.02910	2.6
77.03922	1.3
79.05496	60.1
81.02990	1.3
81.03429	18.7
81.07060	100.0
82.04174	0.9
83.04986	21.2
83.08623	23.6
84.08105	0.8
85.02912	5.5
85.06529	3.3
86.09689	1.6
91.05484	47.0
93.07049	47.0
94.04204	1.0
95.01315	1.2
95.04973	30.9
95.08614	30.9
96.05755	2.0
97.02898	10.3
97.05918	1.2
97.06528	16.0
97.10173	31.9
99.04443	2.7
99.08085	3.5
100.77171	0.8
101.06055	1.4
103.05467	2.4
105.04515	1.8
105.07036	35.9
107.04961	20.4
107.08595	35.2
108.05741	1.1
109.02898	3.0
109.05798	1.5
109.06517	23.4
109.10164	34.3
111.04447	16.3
111.08076	9.8
113.06059	1.0
115.05450	2.9
116.04732	5.8
116.06267	1.3
117.05637	1.1
117.07025	23.3
119.04932	1.1
119.08588	37.7
121.06521	13.5
121.08781	0.8
121.10148	18.9
122.07276	1.5
123.04449	5.7
123.08075	27.4
123.11664	2.5
125.05978	2.4
125.09642	31.2
127.07571	1.2
127.11187	2.4
128.06230	2.6
129.05484	14.2
129.06996	10.3
130.07785	2.1
131.04919	2.3
131.08575	19.3
132.05658	1.5
133.06517	7.7
133.10136	19.6
135.04445	0.9
135.08069	19.2
135.11703	17.5
137.06024	1.7
137.09616	21.7
139.07527	1.5
139.11166	2.3
141.06967	2.4
142.07774	1.8
143.07068	4.3
143.08569	9.2
143.10695	1.4
145.06517	4.3
145.10124	23.0
146.07234	1.1
147.08058	18.7
147.11691	11.2
149.05962	0.9
149.09628	15.0
149.13263	3.1
151.07553	1.9
151.11171	3.4
153.09111	10.3
153.12756	7.2
154.09906	0.9
155.08588	3.9
155.10625	4.1
157.06503	1.2
157.08601	8.3
157.10120	12.7
159.08095	4.6
159.11722	8.2
161.09627	16.2
161.13226	2.5
163.07510	1.6
163.11179	24.2
165.09113	9.3
165.12746	2.9
167.08566	1.0
167.10677	1.3
169.10162	4.3
171.06580	1.4
171.08043	2.6
171.10165	5.9
171.11667	6.2
173.09648	6.7
173.11861	5.9
173.13264	3.2
175.11208	9.7
175.14850	1.1
177.09145	1.5
177.12762	4.7
179.10669	2.1
179.14297	1.1
181.10106	1.8
181.12250	8.8
183.11665	2.6
184.07440	0.8
185.09618	2.4
185.13274	4.7
187.11154	2.8
187.14862	1.3
189.09373	1.7
189.11227	23.0
189.12749	2.6
191.10686	8.3
191.14296	1.4
193.12288	11.0
195.11723	2.2
195.13828	1.4
197.09679	1.4
199.11203	2.5
199.13283	4.3
199.14850	1.4
200.14000	1.9
201.12802	1.6
201.14722	1.0
203.10715	1.8
203.14282	2.7
205.12271	2.5
207.10301	1.3
207.13817	1.0
209.11620	2.0
211.13254	3.6
213.12712	2.4
213.16382	1.8
217.12347	1.3
217.14250	1.6
219.13780	1.8
221.11685	4.8
223.13333	7.2
227.12766	29.9
227.17896	3.0
229.14323	20.7
231.13757	1.3
231.17433	1.4
233.15417	1.0
235.13235	1.2
237.16396	1.6
239.12785	3.6
241.14383	1.0
245.13853	1.6
245.19057	6.0
249.14832	3.3
255.17824	3.9
261.18646	2.0
263.19998	2.1
267.15955	4.5
269.17511	3.6
271.16855	3.3
273.18500	52.4
274.18903	0.9
275.20050	5.4
283.15381	4.8
289.18021	7.0
290.18729	1.1
291.19553	86.3
295.15347	2.3
299.69083	0.9
307.19028	2.8
308.19659	0.9
309.17505	0.9
309.20673	8.5
313.16495	1.5
329.21133	2.1
347.18326	1.3
347.22214	19.0
349.23737	5.3
363.21576	2.7
365.23236	48.6
367.24512	1.2
381.22882	4.8
383.24323	19.7
399.23792	43.2
439.26657	1.1
445.29572	0.8
461.28842	2.6
467.32376	1.1
479.29962	2.0
489.31955	1.3
501.32111	2.0
507.32590	1.3
519.33167	14.2
522.97748	1.0
527.33826	1.6
535.32642	1.7
537.34467	4.5
541.35077	4.4
545.34827	1.9
551.33099	0.9
557.34869	1.2
559.36261	11.5
569.32843	1.4
573.34448	1.3
575.35614	1.1
577.36945	3.7
591.38361	2.4
603.35339	1.8
619.39410	0.9
621.37427	0.8
627.44244	0.9
637.41046	11.3
639.42371	4.3
653.40094	2.2
654.40936	1.1
655.42151	21.8
657.43353	2.3
671.41473	6.6
673.43152	5.1
689.42651	22.6
707.43610	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	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.8
65.81759	0.4
67.05508	48.5
69.03100	0.4
69.03429	4.9
69.07072	14.0
69.31928	1.6
69.32350	2.0
69.87930	0.4
71.04996	4.8
73.02927	3.7
75.04415	0.6
77.03889	1.1
79.05495	37.3
81.03420	47.8
81.07059	49.8
83.04986	13.0
83.08622	19.1
84.47813	0.4
85.02907	28.7
85.06548	2.7
86.09683	0.7
87.04436	1.0
91.03965	7.4
91.05484	37.0
92.05796	0.9
93.07048	38.5
94.07340	1.0
94.92847	0.5
95.04974	22.4
95.08611	31.5
97.02895	9.1
97.06544	5.1
97.10174	4.6
99.04445	1.2
99.08055	2.0
101.05960	0.4
103.05445	0.7
105.04480	1.3
105.07035	25.6
106.07335	1.0
107.04985	5.5
107.08596	24.6
108.08883	0.6
109.02843	1.1
109.05906	0.5
109.06522	6.1
109.10163	14.8
111.04443	2.7
111.08083	9.3
113.05984	2.0
113.09660	0.7
115.03900	0.7
115.05411	1.3
117.07022	6.0
119.04934	0.8
119.08585	23.0
121.06514	2.3
121.10146	19.2
123.08064	4.0
123.11707	5.3
125.09651	3.3
127.03936	3.2
127.07571	0.6
129.05510	0.9
129.07021	8.5
131.08572	16.7
132.08896	0.5
133.06567	2.2
133.10136	15.4
135.08025	1.6
135.10699	0.6
135.11687	8.8
137.09622	2.7
137.13179	0.9
139.11115	0.7
142.07806	2.5
143.08511	2.0
145.04919	2.3
145.10121	8.2
147.08044	3.3
147.11694	16.3
149.09642	6.6
149.12344	0.4
149.13274	4.3
151.11192	1.1
155.08481	1.3
157.10143	12.2
159.11679	5.3
161.09602	1.0
161.13237	3.4
163.06026	3.6
163.11133	1.9
163.14801	1.7
165.12772	2.8
169.10115	1.4
171.11667	1.9
173.09657	0.8
173.13274	3.0
175.11194	13.1
175.14775	1.4
177.12721	0.6
177.16275	0.5
178.58936	0.4
181.12302	0.6
183.11697	1.3
185.13153	0.9
187.14749	1.4
189.11162	0.8
189.12689	0.6
189.16380	0.6
193.12250	36.1
195.11610	0.7
197.13191	0.8
201.16370	0.9
211.13293	55.2
212.13570	0.6
227.12714	1.4
229.14322	1.0
243.21173	2.2
246.11650	0.5
249.18355	0.5
255.15862	0.5
257.18942	0.7
259.20557	1.9
261.22159	9.1
267.15924	13.8
269.17465	0.7
273.18420	0.9
275.19992	1.7
283.15372	0.8
285.16974	74.4
289.18091	0.7
291.19595	1.1
299.23792	0.6
301.25290	1.5
317.24750	1.7
327.23026	0.5
333.24075	0.7
335.25812	58.6
336.26199	0.9
349.23923	0.9
381.22583	1.7
383.19904	1.0
401.21277	0.7
417.31631	0.7
423.27649	0.6
435.32712	2.3
453.33539	2.6
471.34689	1.2
473.33078	0.8
505.35239	0.7
509.36594	0.8
513.35486	0.8
527.37292	14.8
531.36859	0.7
544.37152	0.8
545.38391	100.0
546.38696	2.3
563.39050	1.0
658.33502	0.6
689.38495	1.1
707.39099	1.2
860.76044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.6
67.05506	33.4
68.05803	0.5
69.03433	2.9
69.07071	9.0
71.01334	0.4
71.04993	3.5
73.02918	2.4
77.03892	0.6
78.35353	0.3
79.05495	27.9
80.05804	0.4
81.03420	27.2
81.07059	37.9
82.07354	0.4
83.04983	7.6
83.08621	14.0
85.02907	17.2
85.06535	1.6
86.09723	0.6
91.03965	4.4
91.05482	24.5
92.05760	0.6
93.07045	27.8
94.07364	0.3
95.04974	13.3
95.08607	23.3
97.02895	5.4
97.06029	0.3
97.06527	3.7
97.10178	3.0
99.04420	1.0
99.08118	1.6
103.03907	0.3
103.05439	0.5
105.04477	0.9
105.07032	17.2
107.04964	4.0
107.08599	15.1
108.08892	0.5
109.02833	0.4
109.06534	4.0
109.10156	9.6
111.04443	2.1
111.07398	0.4
111.08091	4.9
113.05961	1.1
115.03883	0.4
115.05425	1.2
115.71634	0.3
117.07017	4.4
119.08586	14.6
121.06491	2.0
121.10150	13.1
122.10396	0.3
123.08085	2.6
123.11722	3.8
125.05976	0.5
125.09582	1.5
127.03942	2.0
127.07520	0.5
128.06151	0.6
129.05507	0.4
129.07018	6.1
131.07619	0.6
131.08575	10.8
133.06480	1.8
133.10136	10.9
135.08089	1.6
135.11691	6.1
137.09639	2.2
137.13231	0.6
139.11130	0.8
142.07799	1.6
143.08565	1.5
145.04932	2.3
145.06447	0.6
145.10143	5.9
147.08063	2.4
147.11684	10.1
149.09660	3.7
149.13281	3.1
151.11162	0.8
153.12724	0.4
155.08586	0.8
157.10129	7.8
159.08148	0.3
159.11690	3.3
161.09593	1.0
161.13255	2.7
163.06035	2.2
163.11172	1.6
163.14807	1.6
165.12729	1.8
169.10077	0.8
171.11670	0.8
173.09619	0.5
173.13263	2.3
175.09775	0.5
175.11182	7.2
175.14809	0.5
177.16382	0.5
181.10092	0.3
181.12181	0.6
183.11723	0.6
184.07341	0.4
185.13220	1.0
187.11250	0.4
187.14787	1.0
189.11221	0.8
193.12250	20.3
197.13162	0.5
201.16406	0.6
211.13286	29.8
219.17581	0.3
227.12733	1.1
229.25829	0.3
243.04437	0.3
243.21101	2.1
249.14876	0.9
257.07205	0.3
257.19077	0.4
259.20541	0.5
261.22144	7.9
267.15915	8.3
269.17270	0.5
273.18463	1.1
275.20007	1.4
276.20370	0.6
279.22873	0.3
285.16971	38.1
289.18228	0.4
291.19489	1.0
301.25146	1.0
315.23096	0.3
317.24667	1.7
333.24286	0.5
335.25812	61.1
336.26285	0.6
349.23724	0.8
350.23901	0.5
351.24194	0.3
381.22900	1.6
383.19843	0.9
401.21027	1.0
417.31290	0.6
429.21622	0.4
435.32562	1.4
453.33594	1.4
471.34610	1.0
509.36029	0.5
527.37390	12.8
543.36481	0.3
545.38391	100.0
546.38562	1.8
561.38037	0.5
562.38080	0.9
563.38690	0.9
619.39136	0.4
653.40472	0.7
671.41833	0.5
689.37366	1.5
707.39264	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	904.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.5
67.05508	42.3
69.03432	5.7
69.07071	20.5
71.01332	0.8
71.05003	5.4
73.02927	0.7
77.03901	1.4
78.04698	0.6
79.05496	45.6
80.05843	0.9
81.03421	11.6
81.07059	72.0
82.07410	0.8
83.01368	0.6
83.04986	13.2
83.08147	1.2
83.08624	16.4
85.02902	4.9
85.06530	3.3
86.09715	1.5
91.05483	36.9
93.03384	0.6
93.07049	43.1
94.07349	1.0
95.01334	1.1
95.04971	25.0
95.08609	23.9
95.09180	0.5
97.02902	2.7
97.06531	9.1
97.10171	24.7
98.10510	0.7
99.04462	1.7
99.08083	3.0
103.05472	2.3
105.04510	1.4
105.07037	31.3
106.07349	1.1
107.04957	19.7
107.08598	31.3
109.02873	3.1
109.06522	11.7
109.10158	17.2
111.03706	1.0
111.04443	10.9
111.08083	7.7
113.01597	0.6
113.06008	0.8
115.05457	3.4
117.01087	1.0
117.07024	19.7
117.07855	1.1
119.04944	1.6
119.08582	30.9
121.06504	13.0
121.10148	12.6
123.04430	2.3
123.07198	1.3
123.08070	21.5
123.11739	2.2
125.06026	1.6
125.09634	18.8
127.03086	0.6
127.03934	0.8
128.06216	2.4
129.01031	1.6
129.05527	0.8
129.07004	8.6
129.99840	0.6
130.07759	1.0
130.98969	1.8
131.04921	1.1
131.08575	18.3
132.05641	0.9
133.06512	4.1
133.10130	16.9
134.07306	0.6
135.04427	1.4
135.08063	21.7
135.11679	10.3
137.05986	1.0
137.09615	10.8
139.07555	0.8
139.11168	1.6
141.01006	0.9
141.06984	2.5
141.09178	1.0
142.07779	1.6
143.08549	8.9
143.10547	0.7
145.06491	5.9
145.09068	0.7
145.10123	17.6
147.08040	12.3
147.11667	8.5
147.12648	0.8
149.06087	0.7
149.09631	12.9
149.13275	2.4
151.07590	1.7
151.11203	1.8
153.04669	1.4
153.09085	4.4
153.12737	5.0
155.06070	0.6
155.08585	3.2
155.10654	0.6
157.06444	0.7
157.10130	7.6
159.08051	5.0
159.11700	8.9
161.09616	12.0
161.13277	1.9
163.07559	5.7
163.11189	19.0
165.09117	4.7
165.12790	1.4
167.08560	0.9
167.10657	0.9
169.10104	4.3
171.05717	5.7
171.08011	1.2
171.10172	2.2
171.11696	4.2
173.09647	5.4
173.11775	1.8
173.13293	2.0
175.11191	6.3
175.14815	1.1
177.09126	1.2
177.12721	3.6
179.10696	1.4
179.14293	0.7
181.10127	1.1
181.12241	4.8
183.05682	0.7
183.11697	2.5
184.07387	1.8
185.09608	1.6
185.13243	2.8
187.11205	3.1
189.06871	0.6
189.11235	14.1
189.12756	1.3
191.10686	5.1
191.14355	1.5
193.10710	0.6
193.12222	4.2
195.11725	1.2
197.13287	1.0
199.05251	2.2
199.11230	1.4
199.14909	0.9
201.12827	1.0
201.16476	0.7
203.10773	1.2
203.14325	0.8
205.12230	2.2
207.13867	0.8
209.11688	1.5
211.13202	1.2
213.12773	1.0
213.16347	1.3
215.16318	1.0
217.12178	0.7
217.16133	0.6
219.13745	0.7
221.11726	1.6
223.13284	4.8
227.12784	22.4
227.17920	1.9
229.14276	5.1
233.15475	0.7
237.16560	1.2
239.18079	0.6
242.64912	0.6
243.17490	1.9
245.13834	0.9
245.19031	4.6
247.20554	0.8
249.14929	1.8
249.18597	0.8
255.17444	3.1
257.19037	1.8
261.18576	1.0
263.20093	1.7
265.14340	0.7
267.15839	1.6
269.17526	1.8
271.16937	4.0
273.18491	36.3
275.20047	10.7
279.15216	2.1
283.15411	5.2
289.18015	10.2
291.19556	75.0
292.19836	1.1
293.21136	1.2
307.14630	1.2
309.20566	9.6
325.15729	1.7
329.21259	1.0
347.22177	13.9
349.23788	7.8
363.21674	1.1
365.23227	44.4
366.23648	1.1
367.24771	2.5
381.22632	1.1
383.19461	1.3
383.24268	19.2
399.19348	100.0
400.19595	1.9
401.20972	0.7
495.25156	0.8
503.33405	2.5
521.34686	1.4
543.36456	2.2
545.37732	0.8
561.37488	1.8
569.28833	5.1
607.30188	1.0
609.32440	0.8
617.38727	0.7
623.42957	1.9
625.31409	4.1
635.39325	2.9
639.42841	1.1
641.43884	2.0
653.41022	3.8
657.43414	1.3
661.38672	1.2
671.36700	9.9
672.37732	1.0
689.38098	66.7
690.38214	1.9
707.39203	44.7
708.39227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.5
67.05511	35.1
69.03439	5.5
69.07074	30.6
69.86218	0.6
70.41433	1.0
70.41785	2.1
71.01344	0.6
71.04999	4.3
72.92921	0.6
75.00031	1.1
77.03937	1.9
79.05499	44.3
81.03422	11.2
81.07063	64.2
83.04995	10.0
83.08621	15.9
85.02919	4.6
85.06530	1.9
86.09695	2.0
87.04484	0.9
89.01570	1.0
91.05488	39.8
92.05814	0.9
93.07049	35.8
95.04978	18.0
95.08618	19.5
97.02896	3.5
97.06538	7.8
97.10173	14.7
99.00819	2.1
99.04435	1.1
99.08112	2.2
102.80206	0.7
103.05502	1.4
105.04511	1.7
105.07037	33.3
107.04967	17.1
107.08605	24.8
109.02886	4.2
109.06525	12.8
109.10160	14.7
111.04437	4.8
111.08086	6.4
115.05458	3.0
116.06205	0.7
117.01068	1.2
117.06229	1.3
117.07030	17.5
119.04929	1.6
119.08588	29.1
121.06511	11.0
121.10143	14.4
123.04430	3.3
123.08069	13.6
123.11713	2.3
125.06001	1.5
125.09642	11.6
127.03922	0.8
128.06227	3.5
129.01059	1.7
129.07010	10.5
130.07784	1.6
131.02650	0.9
131.04868	0.7
131.08572	21.2
132.05675	0.8
133.00572	1.1
133.06502	5.5
133.10141	19.6
135.04384	1.1
135.07022	0.7
135.08063	15.2
135.10831	0.9
135.11714	8.1
137.05978	0.8
137.09634	7.1
139.07564	0.9
141.06987	1.8
142.07768	2.0
143.08563	12.5
144.09343	0.8
145.06477	4.7
145.10136	16.5
147.08058	11.7
147.11708	7.4
149.09630	14.2
149.13255	2.2
151.07558	1.1
151.11217	3.6
153.09093	3.2
153.12715	2.0
154.07784	0.9
155.06125	0.9
155.08560	3.3
155.10600	0.9
157.06488	1.2
157.08919	1.2
157.10150	10.5
159.08098	6.3
159.11697	6.1
161.09628	15.3
161.13303	1.6
163.07562	5.4
163.11192	11.9
165.09099	1.1
165.12820	1.5
167.08582	1.0
169.08698	0.6
169.10112	3.4
171.08043	2.0
171.10135	1.9
171.11702	5.9
173.09645	3.3
173.11859	1.2
173.13115	3.3
175.11200	5.8
175.14941	0.8
177.09183	1.1
177.12766	2.1
179.10706	3.0
181.10120	1.7
181.12280	1.4
183.05804	1.0
183.11711	2.2
184.07318	2.2
185.09618	1.3
185.13298	3.0
187.11198	2.5
189.09116	2.4
189.11229	4.5
189.12807	1.9
191.10698	2.4
193.12244	15.4
195.11702	2.3
195.13602	0.7
197.07217	3.4
197.13289	1.1
199.08987	0.8
199.11212	2.3
199.14827	0.9
203.14366	0.9
205.12280	1.0
209.13390	0.9
211.08963	0.6
211.11093	0.9
211.13185	1.0
211.14946	1.0
213.12727	1.1
213.16292	1.0
215.18005	0.8
219.13852	1.3
223.13289	1.6
227.12744	7.2
227.14577	0.6
227.17946	2.4
229.14426	2.3
237.16496	1.4
243.17461	1.4
245.18971	1.9
249.14914	1.7
253.15759	0.7
255.17448	4.1
257.18954	1.5
261.18542	2.6
269.17465	1.4
271.16928	5.4
273.18524	29.2
275.20111	8.6
276.20486	0.8
283.15414	2.2
289.17984	20.9
291.19553	34.5
293.21033	0.8
305.17706	0.7
307.19128	6.5
309.16171	7.2
327.17300	3.0
329.21140	0.9
347.22168	9.2
349.23752	6.0
363.21640	11.0
365.23343	2.1
367.24750	0.9
381.22739	100.0
382.23032	1.5
383.19852	32.0
384.19818	0.9
401.20898	53.8
409.27243	0.8
415.16156	0.8
479.25815	0.9
503.33585	2.1
515.75732	0.7
529.31213	1.0
543.36639	2.1
555.33270	2.7
561.36420	1.5
573.34564	4.1
579.36731	1.4
593.31873	0.9
597.37958	1.1
609.31732	1.0
623.43024	1.8
635.39063	4.2
641.43738	1.8
653.40521	13.0
657.42798	1.1
671.41962	9.3
689.38116	49.4
690.39160	1.3
707.39221	57.0
708.39368	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.1
67.05508	64.5
69.03429	6.9
69.07069	17.5
69.59212	0.8
71.04998	6.5
71.08633	1.3
71.53211	1.3
73.02918	4.9
79.05496	53.4
81.03421	15.4
81.07059	69.7
82.07422	1.4
83.01335	7.2
83.04984	13.3
83.08621	20.1
85.02444	1.3
85.02914	20.3
85.06541	3.1
86.09705	2.5
87.83231	0.9
88.58977	1.1
91.03963	10.6
91.05486	38.0
93.07047	66.8
95.04969	13.3
95.08612	41.4
96.04514	1.1
97.02898	13.0
97.06533	9.6
97.10165	6.0
99.04456	4.1
99.08101	2.9
105.04520	1.6
105.07034	28.3
107.04966	9.4
107.07874	2.1
107.08598	40.4
109.06509	10.2
109.10152	22.0
110.76464	0.9
111.04442	2.9
111.08089	4.3
115.05433	1.1
117.07027	15.1
117.78094	1.0
119.08586	27.1
121.06527	5.9
121.10146	24.8
123.04407	1.2
123.08076	10.1
123.11732	6.4
125.00022	1.2
125.05948	1.4
125.09607	5.5
127.03916	5.5
128.06252	1.2
129.05496	1.0
129.07011	5.0
130.07793	1.6
131.08585	19.2
133.06532	1.2
133.10135	17.4
135.08084	4.9
135.11693	23.2
135.30952	0.9
137.09627	4.5
137.13248	1.8
139.11241	1.5
141.06949	1.4
143.08562	4.0
145.04947	5.7
145.06520	1.6
145.10129	26.0
147.08063	2.7
147.11711	10.1
149.09612	6.3
149.13283	7.9
151.11176	1.5
153.09067	1.3
153.12752	2.3
155.08542	3.4
157.10127	4.9
159.08037	1.3
159.11719	10.3
161.09581	1.1
161.13254	6.7
163.06067	5.3
163.07468	1.1
163.11197	25.2
163.12553	1.6
163.14844	4.0
167.08838	0.8
167.10594	1.0
169.10092	2.1
171.11679	3.2
173.09645	3.9
173.13254	6.5
175.14836	2.5
177.12817	1.7
177.16388	1.2
179.10880	1.0
181.12218	4.6
183.11739	2.1
184.07353	5.2
185.13289	2.5
187.14845	3.5
189.11243	3.8
191.10609	2.4
193.12297	2.7
195.13699	1.0
197.13274	1.1
199.14873	2.2
201.12770	1.3
201.16389	1.1
209.11670	5.4
211.13263	2.0
227.12810	12.3
229.14394	1.9
229.19414	1.5
239.18013	1.7
243.21043	5.7
247.20580	1.1
257.19003	2.9
259.20572	3.6
261.22162	17.5
267.15964	1.6
269.17422	6.9
273.18475	2.0
275.20038	14.5
283.15405	92.7
284.15747	1.6
289.18094	1.2
291.19522	1.1
293.21069	1.4
299.23666	6.6
301.21436	1.3
317.24695	5.7
333.24173	3.8
335.25812	87.5
336.26273	1.2
349.23679	14.0
349.40814	0.9
367.24716	4.0
379.24887	1.2
433.31061	2.4
443.24496	1.0
451.32184	3.6
463.30045	1.2
469.32956	2.9
487.33978	1.6
503.33905	1.7
507.98468	1.1
525.35620	9.3
543.36816	100.0
544.37274	2.3
561.38239	12.0
607.35156	1.0
623.43372	5.7
641.44409	4.8
673.45288	2.1
687.40430	1.6
705.41028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70080	0.7
65.03945	3.2
67.05508	47.7
68.20860	0.9
69.03409	4.6
69.07072	15.4
69.36452	6.8
71.01356	1.5
71.04996	5.3
73.02913	4.1
75.04484	0.9
75.64125	0.7
79.05496	39.1
81.03423	13.2
81.07059	56.5
82.07401	1.1
83.01351	6.7
83.04986	14.2
83.08622	15.6
85.02908	14.8
85.06529	2.4
86.09707	2.7
91.03962	9.8
91.05482	30.1
93.07047	50.8
95.04962	11.1
95.08611	33.2
97.02891	9.7
97.06526	7.2
97.10185	5.8
98.20807	1.7
99.04439	3.1
99.08067	2.0
103.05486	1.6
105.07037	24.3
107.04967	9.9
107.08591	29.6
108.08936	0.8
109.02887	1.2
109.06532	8.6
109.10153	16.8
111.04421	4.3
111.08089	3.9
113.06001	0.9
115.03870	0.8
117.07032	11.7
119.08583	21.5
121.06527	5.3
121.10150	22.5
123.08082	10.0
123.11725	5.9
125.06019	1.6
125.09640	4.7
127.03926	3.2
129.07013	4.1
131.08577	15.8
133.06526	1.1
133.10132	13.9
135.08046	4.6
135.11702	18.5
137.09647	4.6
139.07480	1.3
141.06960	0.9
143.08572	3.6
145.04965	4.7
145.06454	1.7
145.10126	20.5
147.08072	3.1
147.11670	8.1
149.09665	5.8
149.13274	6.1
151.11171	2.0
153.09111	1.5
153.12721	3.5
155.08611	2.5
157.10147	2.8
159.11710	7.6
161.09601	1.9
161.13251	4.9
163.06027	5.5
163.11197	21.8
163.14864	3.3
165.12755	1.8
171.11705	3.8
173.04413	1.2
173.09622	3.2
173.13257	5.6
175.11240	1.0
175.14813	2.0
177.12773	1.5
177.16489	0.9
179.14423	0.9
181.10353	0.8
181.12256	2.9
183.11754	1.1
184.07329	4.0
185.13339	1.3
187.14919	1.3
189.11214	4.3
191.10719	2.7
191.14395	1.1
193.12248	2.6
195.11765	1.4
195.13849	1.2
197.13214	1.4
199.14838	1.6
201.16394	0.9
209.11743	5.0
211.13200	1.5
227.12752	11.8
229.14328	1.7
239.18073	1.0
241.19527	1.1
243.20998	4.1
257.19266	1.9
259.20544	2.7
261.22159	12.2
267.15942	2.5
269.17487	3.5
273.18436	3.2
275.20120	10.3
283.15408	100.0
285.16888	1.3
291.19598	4.9
293.21164	1.2
299.23651	4.2
301.21539	1.2
317.24786	3.1
323.20355	1.5
333.24374	2.1
335.25809	57.0
347.22256	3.8
349.23734	9.3
365.23312	3.2
367.24652	1.8
383.24216	1.6
397.24255	4.3
433.31024	2.9
451.31992	3.6
463.31046	1.1
469.33038	1.7
487.34091	2.1
525.35846	7.9
543.36859	65.4
544.37128	1.8
561.38123	9.2
623.42767	2.6
639.42053	2.5
641.43964	2.7
657.43353	1.6
687.42041	3.4
705.43890	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	902.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.0
67.05506	53.6
69.03429	7.8
69.07072	31.2
69.07355	0.6
70.45496	0.8
71.04996	9.7
73.02925	1.7
73.06580	1.2
75.00024	0.8
75.04481	1.6
75.72788	0.7
77.03910	1.0
79.05495	54.2
81.03424	13.4
81.07059	69.3
83.04990	12.7
83.08624	18.3
85.02904	5.3
85.06544	2.6
86.09713	1.2
87.04496	1.0
89.01601	0.9
91.03963	1.4
91.05482	47.6
93.03418	0.8
93.07047	55.7
95.04977	25.2
95.08610	28.7
97.02887	7.1
97.06534	9.6
97.10170	15.6
99.00822	2.9
99.04446	1.5
99.08099	2.3
101.01603	1.3
103.05473	1.8
105.04524	1.7
105.07037	34.2
107.04971	17.0
107.08599	39.4
108.80459	0.8
109.02888	9.4
109.06524	14.8
109.10160	19.2
111.04455	6.1
111.08085	6.1
113.09639	0.8
115.05460	4.9
117.01055	1.4
117.07027	23.0
119.04970	1.7
119.08585	28.7
121.02812	1.0
121.06501	14.6
121.10150	14.1
123.04432	4.2
123.08089	8.9
123.11728	3.1
125.06026	1.2
125.09630	13.7
127.03943	1.4
128.06239	3.2
129.01048	3.0
129.07005	7.0
130.07790	1.4
130.98975	2.6
131.02600	1.4
131.04955	1.1
131.08580	17.3
133.06503	4.9
133.10132	24.3
133.54601	0.8
135.04449	1.8
135.08058	31.0
135.11691	13.8
137.05984	1.6
137.09616	11.1
139.07567	2.4
139.11133	0.9
141.01047	1.3
141.07021	3.2
142.07823	1.4
143.08557	9.1
145.06508	8.3
145.10133	19.2
147.08029	6.6
147.11710	8.1
149.06010	1.3
149.09636	7.1
149.13289	3.2
151.07603	1.1
151.11180	4.4
153.04730	1.3
153.09155	2.8
153.12756	2.7
155.08585	4.4
155.10773	0.9
157.06516	1.3
157.10126	6.2
159.08058	8.1
159.09250	1.0
159.11694	7.4
161.09630	10.8
161.13277	2.2
163.07541	14.1
163.11192	14.7
163.14822	1.1
165.09154	1.5
165.12807	1.3
167.08597	0.8
169.10127	4.2
171.05730	5.2
171.08104	1.7
171.10356	1.4
171.11739	2.6
173.04559	0.8
173.09628	6.0
173.11868	1.4
173.13312	2.4
175.11243	3.1
177.09131	1.3
177.12769	2.6
179.08972	0.7
179.10701	2.8
181.12253	3.8
183.11740	3.4
184.07346	2.7
185.09628	1.4
185.13353	1.5
187.11189	1.8
187.14920	1.0
189.09146	3.4
189.11253	5.9
189.12801	1.6
191.10602	3.6
191.14415	0.9
193.12227	18.3
193.13875	1.3
197.13324	1.2
199.05310	2.5
201.12804	1.2
205.12402	1.3
209.13463	0.8
211.11319	1.0
211.13191	1.4
213.16530	1.0
215.14438	1.6
219.13994	1.0
221.11752	1.5
225.11145	1.2
225.16379	1.8
227.12775	13.8
229.14433	3.4
234.46092	0.8
243.17546	4.4
253.16116	0.8
257.19138	1.8
259.20703	0.9
261.18607	4.1
267.16083	1.5
269.17413	4.3
271.16949	8.7
273.18698	0.8
275.20108	10.6
279.15314	2.4
283.15430	9.5
289.18002	35.5
291.19476	1.2
307.15259	1.0
307.19162	5.5
325.15781	2.3
331.22922	1.2
335.25827	14.2
349.23859	6.9
363.21695	12.2
367.24969	2.6
381.22714	90.0
382.23178	1.0
399.19348	94.5
400.19720	1.4
409.25745	1.0
413.21750	1.2
423.27585	4.9
431.28223	1.0
445.29724	1.6
463.30475	1.6
477.32443	1.1
495.25192	2.4
503.33832	2.4
521.35370	0.8
525.36078	1.7
535.36395	1.5
543.36847	24.8
544.36963	1.0
551.96570	0.9
561.38074	3.9
569.28595	1.2
575.39459	6.2
591.31073	2.4
607.35095	1.4
623.42590	2.7
641.44440	1.7
655.44989	1.4
669.39752	1.8
687.36292	14.2
705.37622	100.0
706.38293	1.9
717.92517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	3.7
67.05508	42.5
69.03423	8.4
69.07083	22.7
71.53417	4.2
79.05497	42.3
81.03413	14.3
81.07059	79.7
83.04606	1.8
83.04993	16.4
83.08624	42.5
85.02905	6.9
85.06559	2.8
86.09718	6.1
91.05482	42.9
93.07048	45.2
95.04976	50.6
95.08614	31.3
97.02895	3.5
97.06533	7.9
97.10176	18.8
99.04462	4.1
99.08113	3.4
104.87410	1.7
105.07032	37.0
107.04951	22.1
107.07877	3.5
107.08585	30.8
109.06519	20.4
109.10152	17.7
111.04441	10.5
111.08060	12.1
117.07007	16.4
119.04977	2.8
119.08591	33.2
121.06501	12.6
121.10146	19.3
123.04435	2.5
123.08082	18.9
123.11726	3.6
124.99976	2.0
125.09650	24.8
127.03881	1.8
129.05544	2.4
129.06985	9.3
130.07742	2.4
131.08577	24.5
133.06488	4.2
133.10124	22.2
135.08047	11.7
135.11688	15.8
137.09628	9.0
139.07635	2.2
139.11194	3.4
143.08586	7.3
145.06480	4.5
145.10139	25.4
147.08073	13.5
147.11682	14.1
149.09636	27.9
149.13266	3.8
150.09996	2.4
151.11223	4.9
153.09135	6.2
153.12779	5.5
155.08644	4.4
157.10130	6.4
159.08025	2.6
159.11652	12.6
161.09610	10.5
161.13252	3.3
163.11188	38.1
165.09074	5.1
165.12733	6.9
169.10144	6.2
171.10217	2.9
171.11703	5.8
173.09625	7.7
173.11810	3.6
173.13110	3.4
175.11208	8.4
177.09109	3.0
177.12772	7.1
181.12241	8.5
183.11702	3.9
184.07355	12.7
185.13313	3.2
187.11200	5.9
189.11237	23.8
189.12740	3.7
191.10667	5.3
193.12247	7.4
195.11627	2.0
199.11201	3.4
203.10693	2.7
205.12331	3.9
209.11754	2.0
211.13390	3.2
213.16426	2.8
213.53519	2.1
223.13312	38.0
227.12781	30.2
227.17810	2.6
229.19431	3.9
233.15273	1.9
239.17917	3.3
245.18958	7.7
246.88599	1.9
247.13179	2.3
255.17436	8.0
257.18997	10.7
263.20071	4.3
265.14417	2.7
267.15952	3.6
273.18518	47.0
273.20956	1.8
275.16992	3.3
275.17847	1.9
275.20062	84.8
291.19571	88.8
293.21127	54.3
309.20572	10.6
311.21747	2.4
329.21027	2.9
337.23679	2.7
347.22156	34.4
349.23737	72.6
365.23257	92.1
366.23636	3.7
367.24811	95.8
368.25314	2.7
383.24310	37.9
447.23117	2.4
475.30093	2.3
504.71130	2.2
511.34409	2.9
519.33142	4.4
529.35797	3.0
537.33990	5.5
543.36017	2.1
547.37756	3.7
559.36066	4.1
565.38812	3.5
621.41547	27.6
639.42639	97.3
653.39886	4.1
657.43616	100.0
658.43243	3.6
671.41534	2.2
675.44745	40.7
705.00000	2.8
900.56012	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	900.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.0
66.04742	0.4
67.05508	36.6
69.03394	1.4
69.05539	0.4
69.07073	8.4
69.26320	1.2
69.26741	1.5
71.04971	1.5
73.02890	1.2
73.06528	0.7
77.03902	0.9
79.05497	42.2
79.79746	0.4
81.03423	3.9
81.07059	32.7
83.04984	6.7
83.08612	4.9
85.02908	3.6
85.06535	2.1
86.09680	1.4
91.03960	2.0
91.05486	29.7
93.07047	43.2
95.04977	9.5
95.08611	25.6
97.02873	2.6
97.06533	3.0
97.10142	2.1
98.20744	0.7
99.08060	0.9
103.05428	0.6
105.04520	2.0
105.07034	21.0
107.00388	0.3
107.04962	3.1
107.08597	15.9
109.06521	3.5
109.09473	0.5
109.10157	8.1
110.49332	0.3
111.08040	1.4
113.09563	0.4
115.05418	0.5
117.06255	0.5
117.07022	6.3
119.08588	13.7
120.08923	0.5
121.06482	1.5
121.10149	9.2
123.08076	2.8
123.11697	1.8
124.99990	0.8
125.09600	0.6
127.03885	0.8
127.07516	0.6
128.06218	1.1
129.07013	7.8
130.07799	0.4
131.08583	5.4
133.06497	0.6
133.10133	8.6
135.08038	0.6
135.10713	0.5
135.11700	6.3
137.09601	0.6
137.13239	0.7
139.11165	0.4
143.08562	4.0
145.04936	0.7
145.10127	7.2
147.08086	1.6
147.11691	17.3
149.13277	3.0
151.11113	0.4
156.09293	0.4
157.10120	0.8
159.11700	3.1
161.09631	2.1
161.11990	0.5
161.13272	6.3
163.05992	0.7
163.11185	1.2
163.14812	1.1
169.10106	0.7
171.11699	13.4
171.13171	0.8
173.13268	2.7
175.14841	0.7
177.12704	0.5
179.14240	0.4
184.07343	4.8
185.91629	0.3
187.11096	0.5
187.14786	1.2
189.12772	3.8
197.13297	0.4
199.14822	0.5
207.13823	9.6
225.14729	0.6
233.22690	0.4
243.21152	2.0
259.20587	0.9
261.22119	6.0
279.15881	2.0
281.17487	58.0
282.17917	0.5
317.24710	1.2
333.24298	0.7
335.25809	34.5
336.26529	0.4
449.34061	1.4
467.35361	0.8
485.36667	0.4
492.21326	0.4
523.38531	0.5
541.38916	100.0
542.39209	1.9
559.39960	3.9
623.22668	0.4
797.22223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22038	1.0
65.03931	3.9
67.05508	100.0
69.03436	13.4
69.07072	12.3
69.24982	7.3
69.25384	2.2
71.04995	7.0
73.02911	3.2
74.09698	2.6
76.16442	1.0
79.05496	32.0
81.03427	18.4
81.07059	47.6
83.04984	17.5
83.08623	10.3
85.02917	10.4
85.06535	3.6
86.09710	3.3
87.04478	1.5
91.03948	3.4
91.05484	25.0
93.07050	41.6
95.04978	6.5
95.08613	32.3
97.02895	9.7
97.06519	2.3
97.10168	5.9
99.04453	2.3
99.08070	3.1
100.35799	1.2
101.02396	1.2
105.07048	15.3
107.04940	1.5
107.08598	19.2
109.02850	4.5
109.06483	2.7
109.10163	72.4
111.04450	5.5
111.08069	3.9
117.07024	6.8
119.08588	17.5
121.06497	2.8
121.10159	15.4
123.08047	1.7
123.11705	3.8
124.99961	2.2
125.09639	6.3
127.03904	6.6
129.05490	8.4
129.06975	2.2
131.08577	10.1
133.06462	1.7
133.10126	9.5
135.08037	2.5
135.11685	9.8
137.09621	5.5
143.08591	2.1
145.10139	6.8
147.11710	5.4
147.60428	1.2
149.09587	1.4
149.13301	3.8
154.12323	1.9
155.08566	1.4
155.10677	4.3
157.10161	3.4
159.11690	4.9
161.13266	3.4
163.14864	2.9
169.10078	2.5
171.11641	3.1
173.11739	15.6
173.13309	3.8
175.14891	1.9
177.12679	1.7
181.10051	1.6
184.07355	7.5
187.14784	2.0
189.11169	3.7
199.11128	1.4
227.12775	4.9
229.14325	22.3
236.81436	1.2
243.21143	2.0
245.13968	1.5
259.20612	1.3
261.22049	6.6
273.22263	1.8
275.20032	1.6
283.20355	1.3
289.18140	1.3
291.23148	1.7
299.14883	4.6
335.25824	70.4
337.27249	1.3
345.24683	1.2
351.23373	2.7
355.17450	2.1
369.24133	3.9
373.18585	38.6
386.34491	1.3
387.25159	2.3
397.30936	1.3
405.26230	2.7
461.28690	2.8
479.29800	1.9
487.34381	1.3
489.35757	72.8
491.37445	1.3
506.38651	2.5
531.36768	1.3
552.29065	1.3
597.37244	5.8
615.38892	7.5
633.39990	47.3
651.41205	11.5
668.43457	2.7
894.43121	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	894.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22038	1.0
65.03931	3.9
67.05508	100.0
69.03436	13.4
69.07072	12.3
69.24982	7.3
69.25384	2.2
71.04995	7.0
73.02911	3.2
74.09698	2.6
76.16442	1.0
79.05496	32.0
81.03427	18.4
81.07059	47.6
83.04984	17.5
83.08623	10.3
85.02917	10.4
85.06535	3.6
86.09710	3.3
87.04478	1.5
91.03948	3.4
91.05484	25.0
93.07050	41.6
95.04978	6.5
95.08613	32.3
97.02895	9.7
97.06519	2.3
97.10168	5.9
99.04453	2.3
99.08070	3.1
100.35799	1.2
101.02396	1.2
105.07048	15.3
107.04940	1.5
107.08598	19.2
109.02850	4.5
109.06483	2.7
109.10163	72.4
111.04450	5.5
111.08069	3.9
117.07024	6.8
119.08588	17.5
121.06497	2.8
121.10159	15.4
123.08047	1.7
123.11705	3.8
124.99961	2.2
125.09639	6.3
127.03904	6.6
129.05490	8.4
129.06975	2.2
131.08577	10.1
133.06462	1.7
133.10126	9.5
135.08037	2.5
135.11685	9.8
137.09621	5.5
143.08591	2.1
145.10139	6.8
147.11710	5.4
147.60428	1.2
149.09587	1.4
149.13301	3.8
154.12323	1.9
155.08566	1.4
155.10677	4.3
157.10161	3.4
159.11690	4.9
161.13266	3.4
163.14864	2.9
169.10078	2.5
171.11641	3.1
173.11739	15.6
173.13309	3.8
175.14891	1.9
177.12679	1.7
181.10051	1.6
184.07355	7.5
187.14784	2.0
189.11169	3.7
199.11128	1.4
227.12775	4.9
229.14325	22.3
236.81436	1.2
243.21143	2.0
245.13968	1.5
259.20612	1.3
261.22049	6.6
273.22263	1.8
275.20032	1.6
283.20355	1.3
289.18140	1.3
291.23148	1.7
299.14883	4.6
335.25824	70.4
337.27249	1.3
345.24683	1.2
351.23373	2.7
355.17450	2.1
369.24133	3.9
373.18585	38.6
386.34491	1.3
387.25159	2.3
397.30936	1.3
405.26230	2.7
461.28690	2.8
479.29800	1.9
487.34381	1.3
489.35757	72.8
491.37445	1.3
506.38651	2.5
531.36768	1.3
552.29065	1.3
597.37244	5.8
615.38892	7.5
633.39990	47.3
651.41205	11.5
668.43457	2.7
894.43121	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	892.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.1
67.05508	96.6
67.12035	1.1
68.14375	1.3
69.03423	3.9
69.07072	34.1
69.47140	1.0
69.78725	3.6
69.79141	2.3
70.06590	3.8
71.04987	6.7
79.05496	53.7
81.03425	7.9
81.07061	100.0
83.04977	9.4
83.08624	25.8
84.08135	3.0
85.02904	2.9
85.06542	4.8
86.09695	4.8
91.04918	1.5
91.05485	47.1
93.07047	56.5
95.04974	10.3
95.08614	37.9
95.09071	0.7
97.06528	16.1
97.10174	12.6
99.04459	1.5
99.08087	3.6
101.06053	1.2
105.07037	43.2
107.04968	9.9
107.08601	48.7
109.06519	14.1
109.10163	54.6
111.08086	8.6
113.09625	1.7
115.05535	1.3
117.07031	18.1
119.08590	33.5
121.06494	4.7
121.10144	21.7
123.08071	5.4
123.11716	9.2
123.26379	1.2
125.09621	9.1
127.03922	1.6
129.06995	5.2
129.07928	1.0
131.08569	22.2
133.06479	2.2
133.10129	29.4
135.08060	7.0
135.11691	15.4
136.06244	2.1
137.09615	4.9
139.11206	2.4
143.08606	6.1
145.06592	1.4
145.10109	17.9
147.08031	1.7
147.11699	16.0
149.09636	12.8
149.13257	24.3
151.11200	3.1
155.08562	4.0
155.10661	4.5
157.10146	6.9
159.11678	20.1
161.09691	3.0
161.13258	4.3
163.11191	9.5
163.14929	1.9
165.09151	1.7
165.12782	4.8
169.10091	4.0
171.10324	1.9
171.11668	6.0
173.09615	2.0
173.11758	12.7
173.13286	7.5
175.11217	3.4
175.14833	2.2
177.12698	6.0
179.14233	1.7
181.10088	1.2
183.11728	3.7
184.07370	4.2
184.63632	1.3
185.13251	3.7
187.11145	2.1
187.14868	2.5
189.11269	5.9
189.12747	2.1
191.14337	2.2
195.11618	1.9
195.13817	6.0
197.13307	3.8
199.14864	2.2
201.12807	3.2
202.23615	1.4
209.13300	1.8
215.14203	2.1
219.13673	1.5
226.39568	1.1
227.12808	10.3
229.14316	29.7
229.19496	3.9
233.18977	2.0
239.17982	4.5
241.14268	1.6
243.13788	1.2
247.20551	3.7
251.16376	2.0
257.19019	10.1
267.15894	3.1
269.17493	37.9
273.18396	1.9
275.20074	58.3
291.19543	1.3
293.21106	10.0
313.21545	1.4
331.22647	3.2
349.23730	54.1
350.23950	1.3
365.23239	1.8
367.24826	22.1
383.24411	4.4
413.21768	2.0
423.27432	44.4
433.30740	2.5
445.29367	4.6
451.32135	2.0
463.30573	37.0
469.32974	1.9
503.33731	44.3
515.37665	1.8
521.34692	13.6
525.35883	11.5
543.36829	93.0
561.37903	39.2
567.31531	10.3
605.42413	1.8
607.34924	10.5
616.60785	1.3
623.33466	1.8
623.43024	24.7
641.44226	28.9
642.44171	1.5
647.37531	1.8
659.45221	10.3
665.38745	1.7
687.40918	5.9
705.41669	4.4
758.34619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	7.1
67.05506	72.0
68.05824	1.9
69.03431	9.2
69.07069	34.8
71.04991	7.8
73.02926	2.5
75.00034	1.2
76.99725	1.7
77.03896	1.1
79.05495	68.5
80.05813	2.1
81.03419	15.0
81.07058	100.0
82.07384	2.8
83.04980	16.1
83.08617	26.0
85.02443	1.3
85.02866	6.2
85.06522	5.0
86.09718	6.3
91.05484	78.2
92.05817	2.2
93.07047	69.8
94.07380	2.8
95.04970	29.4
95.08611	40.6
96.08932	2.0
97.02885	3.9
97.06538	15.5
97.10167	10.8
99.04454	2.2
99.08071	3.5
101.01583	2.2
103.05443	3.1
103.72764	1.2
105.04563	1.5
105.07034	64.0
106.07347	1.9
107.04962	15.7
107.08599	42.0
109.02904	1.5
109.06525	13.1
109.10162	19.6
111.04425	4.4
111.08089	9.6
111.78651	1.1
113.06007	1.4
113.09651	2.0
115.05459	3.5
116.06214	1.1
116.82944	1.3
117.07019	30.9
118.76900	1.2
119.04981	2.0
119.05991	1.2
119.08586	45.6
120.08900	2.2
121.06508	8.6
121.10146	27.0
123.04420	1.3
123.08070	13.3
123.11699	8.2
124.08424	1.2
125.00008	5.0
125.09621	8.1
127.03929	1.8
128.06213	2.9
129.05493	2.4
129.07014	14.2
131.04799	1.4
131.08571	41.0
133.06461	2.5
133.10143	43.5
134.10463	2.0
135.08099	9.5
135.11700	19.6
136.05089	1.3
137.09636	6.0
139.11205	1.8
141.06993	3.8
141.09177	1.4
142.07751	1.7
143.08586	10.5
144.09322	1.5
145.06503	2.4
145.10127	35.0
146.10506	1.3
147.08054	7.1
147.11693	21.7
148.12054	1.2
149.09616	21.4
149.13272	11.6
151.07658	1.2
151.11217	5.6
153.09027	1.8
155.08575	7.2
157.10124	11.2
159.08090	2.6
159.11699	25.6
161.09651	5.6
161.13277	7.6
163.11176	18.2
163.14864	2.0
165.09076	2.2
165.12711	2.0
167.08514	1.6
168.09367	1.4
169.10173	7.4
171.11690	11.8
173.04504	2.1
173.09625	2.7
173.11774	2.5
173.13206	11.5
175.11221	5.8
175.14810	3.0
177.12743	5.0
179.14337	2.5
181.10117	2.5
181.12189	2.2
183.11699	7.5
184.07341	16.9
185.13263	2.8
187.11252	3.8
187.14824	3.1
189.11215	2.9
189.12767	1.7
193.12242	1.5
195.11897	1.9
195.13797	4.4
197.13269	6.4
199.14810	3.1
201.12753	2.1
201.16382	1.6
202.80035	1.2
205.12189	2.0
209.13315	2.3
213.16458	2.7
215.14412	1.4
215.17957	2.2
217.15921	1.8
223.13220	9.1
227.12679	6.3
227.17923	1.2
229.14360	4.0
229.19566	4.1
235.16946	1.5
237.16386	1.4
239.17966	7.8
241.19566	1.6
247.20607	3.5
251.16518	2.1
255.15771	11.6
257.18991	24.9
259.20374	1.8
269.17487	31.4
273.18552	10.2
274.18790	1.9
275.20065	57.8
276.20474	4.2
287.14008	4.2
289.18292	1.3
291.19522	15.1
292.19794	1.9
293.18030	1.7
293.21097	13.5
294.21570	1.4
311.17133	1.7
331.22809	6.9
333.24170	3.2
347.22070	5.8
349.23758	38.1
350.24017	1.6
351.24637	1.5
365.23178	4.0
367.20346	4.2
367.24692	20.9
385.21503	38.6
401.20926	2.5
402.21280	2.4
403.20544	15.5
413.21609	2.7
433.30637	1.6
467.25446	1.7
469.32449	1.4
481.27078	4.9
511.34229	2.1
525.35620	6.5
529.35089	5.8
539.30920	1.9
543.36810	15.7
559.35846	1.4
561.33173	3.0
565.33026	10.0
579.34393	42.5
583.31848	2.5
597.33990	6.9
605.41992	2.9
612.19147	1.3
621.41058	2.5
623.42932	11.9
639.42249	3.4
641.44373	5.8
657.43390	1.7
659.40155	15.7
677.40381	22.1
694.42047	1.8
695.41272	14.8
720.63232	1.4
892.50018	15.1
893.51831	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	892.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09742	1.4
65.03924	8.2
67.05508	86.8
68.05833	1.4
69.03440	7.5
69.07072	35.2
71.04980	5.2
73.02899	2.6
73.06554	1.9
77.03891	1.4
79.05494	74.6
80.05813	3.0
80.67828	1.3
81.03420	12.8
81.07058	98.9
83.04977	13.7
83.08621	38.5
85.02908	7.9
85.06532	5.9
86.09720	7.7
91.05482	89.0
93.07048	73.4
94.07350	2.0
95.04974	31.3
95.08612	58.3
97.02888	3.7
97.06538	14.6
97.10140	11.2
98.20746	4.5
99.04453	3.1
99.08094	4.0
103.05453	3.3
105.07038	76.3
105.66204	1.8
107.04971	19.4
107.08604	45.7
109.02845	1.8
109.06526	15.7
109.10160	30.9
110.72256	1.4
111.04446	4.7
111.08084	11.3
115.05460	3.0
116.06255	2.6
116.21040	1.5
117.07020	37.2
119.08585	63.1
120.08897	1.8
120.64911	1.8
121.06503	12.5
121.10155	30.5
123.04449	1.6
123.08067	11.5
123.11725	7.3
125.00013	4.2
125.09634	11.9
127.15342	1.5
128.06224	3.4
129.05502	2.8
129.07014	14.1
130.07803	3.4
131.08563	44.4
133.06477	3.5
133.10133	55.9
135.08075	10.2
135.11670	21.0
137.09616	8.7
137.13203	1.5
139.11198	3.7
141.07010	5.5
142.07764	2.5
143.08548	12.4
144.09288	2.1
145.06523	2.6
145.10132	45.0
146.10513	1.6
147.08043	7.1
147.11688	30.8
149.09622	32.5
149.13240	7.5
151.11197	9.2
155.08575	6.0
157.10124	13.4
159.08017	2.6
159.11696	34.5
161.09607	5.8
161.13264	12.6
163.11182	27.4
163.14751	1.8
165.09087	1.9
165.12732	7.6
167.08517	2.2
168.09406	1.7
169.10118	10.4
171.11670	13.3
173.09605	5.7
173.11864	3.1
173.13278	12.9
175.11191	5.7
175.14801	2.6
177.12762	5.7
179.14284	3.0
181.10143	2.8
181.12221	1.8
183.11699	9.2
184.07323	22.0
185.13252	3.6
187.11218	3.2
187.14793	5.3
189.11206	5.0
189.12730	3.7
191.14314	2.0
195.11674	2.4
197.13281	7.4
199.14842	2.8
201.12639	2.8
201.16408	2.3
205.12245	3.5
209.13283	1.9
213.16362	2.4
215.17929	4.2
223.13356	9.0
223.15158	1.8
227.12798	5.7
229.14262	3.5
229.19498	6.5
239.18001	15.8
241.19551	2.9
247.20490	4.5
253.14388	2.0
257.19016	31.4
259.20551	4.2
269.17422	4.2
273.18445	6.5
275.20065	100.0
276.20447	2.0
278.52222	1.6
287.14130	5.7
287.44797	1.6
291.19601	13.6
292.19739	2.0
293.21106	15.0
309.21164	1.5
311.17560	5.2
313.21555	3.6
329.21521	1.8
331.22635	12.4
333.24197	3.7
335.25479	1.9
344.22260	1.8
347.22083	4.4
349.23718	72.4
351.25104	3.0
365.23181	7.2
366.23572	1.6
367.20364	4.0
367.24765	47.1
367.29449	2.5
383.19946	1.9
383.24243	3.5
385.21405	66.9
386.21909	3.4
387.21097	15.0
401.21036	1.7
403.21445	3.9
475.33939	6.2
513.36389	2.1
527.36584	1.6
533.38110	6.7
579.33673	5.5
605.41791	4.0
607.42981	3.3
623.42969	25.7
625.44159	2.4
639.42200	2.4
641.44128	31.8
659.40631	34.3
677.41626	65.0
678.42413	2.4
695.41461	15.5
806.43219	1.7
892.50238	13.8
893.47961	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21537	0.2
65.03951	0.3
67.05511	4.3
69.03433	2.3
69.07072	3.0
70.06599	0.6
71.01370	0.3
71.04995	0.7
71.52790	0.3
73.02921	2.4
78.24705	0.2
79.05497	4.5
81.03419	2.4
81.07060	5.9
83.04977	1.5
83.08624	1.6
85.02910	3.4
85.06560	0.3
86.09727	0.8
87.04491	0.3
89.41996	0.2
91.03962	1.6
91.05490	3.5
92.05852	0.3
93.07045	3.7
95.04959	1.7
95.08608	2.2
97.02898	3.2
97.06519	1.0
97.10179	1.8
99.08168	0.2
101.02375	1.1
103.03987	0.2
103.05496	0.3
105.07030	2.4
105.07598	0.2
106.07381	0.2
107.04951	1.3
107.08593	2.9
109.02874	1.2
109.06511	1.0
109.10168	1.6
111.04459	0.8
111.08105	0.9
115.03953	0.3
115.05450	0.2
117.07018	1.6
119.08583	2.5
121.06538	0.6
121.10119	1.2
123.04418	0.5
123.08084	1.7
125.00044	0.3
125.09622	2.0
127.03931	1.1
129.05524	0.3
129.07048	0.9
131.04922	0.2
131.08578	1.4
133.06500	0.5
133.10106	1.8
135.08072	1.2
135.11681	1.1
137.09662	0.6
143.08586	0.4
145.10112	1.3
147.08049	0.5
147.11749	0.7
149.09666	0.7
149.13287	0.2
151.11232	0.5
153.09172	0.3
153.12743	0.5
155.08568	0.4
157.10130	0.5
159.08099	0.4
159.11760	0.4
161.09604	0.9
163.07558	0.3
163.11255	1.0
167.08551	0.2
169.10097	0.2
171.07997	0.2
171.11758	0.4
173.09654	0.3
173.13333	0.3
175.11214	0.5
179.10806	0.2
181.12323	0.3
183.11662	0.2
184.07320	1.8
185.04309	0.6
185.07703	0.3
187.11324	0.3
189.11243	0.6
191.10739	0.3
193.12285	0.9
201.03725	0.3
203.05321	0.2
223.13185	0.3
227.12843	0.5
227.17964	0.3
229.14491	0.4
241.06905	0.5
242.45193	0.2
243.08417	4.7
257.19220	0.3
261.18643	0.2
269.17365	0.2
273.18494	1.3
274.18961	0.2
275.20065	1.5
275.22705	0.2
287.12567	0.3
289.18082	0.6
291.19513	0.9
293.21136	0.2
295.22922	0.2
301.09021	1.5
301.14407	0.2
313.09030	0.5
315.10657	0.9
327.10617	0.2
343.13464	0.2
347.18344	1.0
347.22266	0.4
349.19922	2.0
349.23859	0.4
355.13782	0.3
365.23550	0.2
367.24942	0.3
369.15375	0.8
371.16885	0.6
383.16965	0.4
383.24405	0.3
385.18506	0.6
385.61880	0.2
403.21066	0.3
405.22604	0.6
439.19360	1.1
449.31448	0.2
451.19623	0.6
467.19165	0.6
479.19058	0.4
495.18533	0.4
497.20209	0.9
509.75635	0.2
537.25281	0.2
549.25830	0.2
565.26190	5.3
567.27740	6.7
573.42468	0.2
637.28375	0.7
639.29791	0.6
639.41962	0.3
695.36053	0.2
729.42218	0.3
765.40106	0.3
775.38953	0.6
793.39429	0.4
805.41058	0.3
891.47131	100.0
892.47253	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	4.1
67.05508	77.3
69.03426	6.4
69.07069	26.5
71.04974	5.3
79.05494	51.5
81.03427	11.6
81.07059	100.0
83.04988	16.5
83.08161	1.5
83.08620	25.5
85.02914	5.6
85.06533	3.7
86.09700	2.8
87.10152	1.1
91.04920	1.3
91.05484	42.9
93.07047	52.7
95.04971	19.1
95.08606	33.1
97.02909	2.9
97.06542	13.4
97.09559	1.7
97.10169	26.7
99.04446	2.2
99.08065	3.2
105.07040	36.3
107.04952	14.4
107.08589	35.9
109.06508	13.8
109.10165	42.7
111.04453	13.2
111.08099	12.6
115.05490	2.1
117.07012	16.4
119.08588	36.9
121.06524	10.3
121.10161	19.8
122.43352	1.3
123.04420	1.3
123.08077	22.3
123.11696	3.9
125.08794	1.6
125.09637	26.3
125.10541	1.6
128.06165	1.4
129.06987	8.8
131.08566	24.1
133.06499	4.5
133.10135	21.0
135.08072	10.0
135.11693	15.8
137.09634	8.4
139.11150	1.6
141.06985	2.2
143.08583	7.0
143.10670	1.4
145.06480	3.6
145.10124	23.6
147.08034	9.7
147.11700	14.2
149.09657	13.2
149.13260	9.8
151.11180	2.0
153.09113	5.5
153.12741	6.8
155.08521	4.3
155.10654	3.1
157.10132	8.7
157.69714	1.2
159.08017	2.7
159.11711	13.1
161.09596	8.2
161.13258	3.4
163.11189	24.0
165.09094	5.7
165.12738	2.5
169.10143	4.3
169.86678	1.3
171.10179	4.5
171.11696	7.3
173.09607	4.6
173.11743	7.5
173.13286	4.6
175.11151	6.2
177.09177	1.3
177.12720	3.8
179.10765	1.3
179.14310	1.8
181.12227	8.4
183.11664	2.6
184.07358	2.6
185.13281	3.6
187.11197	3.7
187.14778	1.5
189.11232	14.8
189.12737	2.5
191.10657	5.3
193.12218	5.9
195.11769	2.1
195.13739	2.4
197.13257	1.8
199.11226	1.7
199.14748	2.6
201.12723	1.9
205.12209	3.0
211.13170	1.9
219.13800	1.9
223.13234	5.6
227.12779	25.5
227.17914	1.2
229.14360	27.1
229.19528	1.9
231.17439	1.8
239.18077	2.2
245.18999	4.2
249.14801	2.5
251.16302	1.6
255.17461	2.9
257.18958	5.4
257.50143	1.3
261.18591	1.4
267.15964	2.0
269.17462	28.3
273.18494	32.9
275.20074	31.6
283.15353	3.6
291.19556	70.0
293.21143	3.9
309.20490	9.3
331.22687	1.7
347.22156	13.9
349.23767	30.5
365.23230	50.7
367.24820	17.6
383.24237	19.0
399.23425	2.2
413.21802	2.0
421.25967	1.6
439.27252	2.7
467.31186	2.2
485.32690	1.6
501.32233	7.3
519.33203	45.0
523.34576	1.3
535.32336	2.5
537.34283	24.2
541.35168	12.8
559.36328	55.0
577.37378	29.8
581.38141	2.4
617.40283	1.5
621.41321	8.5
639.42578	36.5
657.43677	32.9
675.44757	14.9
681.37701	2.3
721.40924	3.2
780.34814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84428	0.9
65.03944	6.1
67.05505	75.7
69.03430	8.3
69.07069	35.9
71.04974	7.3
71.51618	1.0
79.05493	79.6
81.03426	11.9
81.07057	100.0
82.07391	1.2
83.04983	13.8
83.08619	45.5
85.02911	7.1
85.06530	4.4
86.09693	3.0
87.04494	1.2
89.01556	1.1
91.05480	83.9
93.07043	72.7
95.01340	2.5
95.04969	30.7
95.08609	48.5
96.08933	1.4
97.02890	4.9
97.06534	12.8
97.10175	15.8
99.04442	1.9
99.08098	3.7
103.05464	2.9
105.03389	1.6
105.04510	2.1
105.07030	64.3
107.04961	28.8
107.08594	45.7
108.08872	1.5
109.06520	17.8
109.10154	30.5
111.04448	6.6
111.08083	12.2
115.05460	3.9
116.06220	1.7
117.07017	34.1
118.45794	1.0
119.04973	1.9
119.08582	52.8
121.06502	15.9
121.10139	31.7
123.04431	2.6
123.08070	21.9
123.11711	5.4
124.99990	1.6
125.09631	13.5
127.03066	1.1
128.06218	4.6
129.07001	14.6
130.07779	2.6
131.08568	39.7
133.00525	2.0
133.06473	5.9
133.10133	46.1
135.08073	12.3
135.11693	14.5
137.09595	8.9
139.11191	3.4
141.06982	4.9
142.07739	3.2
143.08560	11.1
145.06497	4.0
145.10123	42.1
147.08041	11.5
147.11684	22.5
149.09616	34.8
149.13237	5.6
151.11183	9.6
153.07051	1.5
153.09119	4.0
153.12779	2.3
155.06044	1.4
155.08549	7.8
156.09291	1.9
157.06506	1.2
157.10135	11.7
159.08081	5.8
159.11693	22.3
161.09615	11.4
161.13297	7.1
163.11177	36.2
163.14854	1.6
165.09056	3.1
165.12743	6.7
167.08569	2.1
169.08827	2.1
169.10117	8.1
169.69467	1.3
171.08078	1.9
171.10234	1.7
171.11629	9.1
173.09595	5.4
173.11884	2.1
173.13248	9.6
175.11220	7.4
175.14842	3.2
177.12718	5.7
179.08554	1.3
179.14314	2.1
181.10149	2.8
181.12230	2.4
183.11694	4.1
184.07335	10.8
185.09727	1.4
185.13242	5.7
187.11166	5.4
187.14778	3.7
189.11171	4.6
189.12784	3.9
191.10686	2.4
191.14371	2.1
193.12228	3.0
195.11702	2.9
197.07298	3.8
197.13283	3.4
199.11227	1.9
199.14819	2.8
199.80348	1.3
201.12695	2.1
205.12170	3.1
207.13742	1.4
211.14827	2.2
213.16396	2.9
215.17889	1.7
223.13254	6.0
227.12807	7.7
227.17874	4.1
229.14212	2.2
229.19540	4.2
237.16466	1.8
239.17937	8.6
245.19049	4.3
247.20598	4.2
249.14867	2.3
253.14285	10.0
255.17548	6.0
257.18991	13.4
267.15958	1.5
269.17358	3.0
271.15210	1.8
273.18506	37.8
275.20068	78.0
276.20438	1.6
287.14349	1.8
291.19540	56.9
291.87222	1.1
293.21097	12.2
309.16156	3.4
309.20309	2.5
311.17557	1.7
327.17026	1.6
331.22760	2.9
335.25671	3.6
347.22137	18.2
349.23721	68.3
350.23495	1.6
365.23248	24.0
367.20898	1.6
367.24789	40.6
383.19864	27.3
383.24249	5.1
385.21426	18.8
401.20901	46.1
403.20593	1.3
503.33401	2.3
513.35040	1.5
515.33862	1.5
531.36786	2.1
561.33673	1.2
577.33051	6.7
595.33862	3.6
621.41254	10.5
625.45007	1.3
637.41028	1.4
639.42590	26.7
657.38666	23.1
675.40131	69.8
693.41187	52.0
890.47809	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	888.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03599	1.2
65.03932	5.6
67.05504	100.0
69.03438	9.5
69.07066	49.5
69.14599	14.8
69.27058	1.3
69.42443	1.3
71.04993	14.7
71.08624	1.3
73.02882	2.4
73.06548	1.6
79.05490	85.8
80.05836	1.8
80.74712	1.3
81.03411	14.3
81.07055	92.9
83.04982	11.8
83.08620	22.0
85.02895	9.3
85.06523	5.4
85.86507	1.5
91.03963	1.9
91.05480	82.0
93.07040	80.6
93.07638	3.4
95.04970	22.9
95.08607	51.8
97.02882	6.4
97.06528	17.2
97.10172	12.1
98.21452	3.6
99.04452	2.4
99.08073	5.7
103.05424	3.0
105.04576	2.0
105.07032	74.9
107.04955	11.4
107.08593	49.2
109.06521	11.3
109.10161	42.8
111.04455	3.7
111.08083	9.4
115.05423	2.9
116.06192	2.2
117.07009	31.1
119.04925	2.9
119.08582	55.1
121.06503	8.5
121.10146	26.4
123.08100	7.1
123.11688	5.7
125.09625	15.9
127.03908	4.4
127.07503	1.6
128.06238	5.6
129.05449	4.3
129.07021	23.6
130.07787	3.0
131.04936	2.0
131.08571	42.6
133.06447	3.5
133.10126	45.9
135.04456	1.7
135.08078	8.1
135.11687	16.4
137.09618	9.9
139.11136	3.2
141.06949	7.8
142.07745	4.9
143.08562	20.5
144.09355	2.0
145.06404	3.3
145.10120	38.0
147.08037	5.4
147.11688	24.3
149.09642	13.3
149.13260	11.8
151.11174	6.3
153.06966	2.1
153.12724	2.1
155.08575	11.5
155.10608	2.3
156.09296	2.3
157.10124	17.8
159.08026	3.3
159.11684	26.4
161.09630	4.4
161.13261	13.6
163.11191	12.0
163.14821	2.5
165.07045	2.1
165.09135	2.2
165.12775	2.9
166.29942	1.5
167.08551	5.8
168.09258	1.8
169.10133	13.6
171.08153	1.9
171.10266	2.6
171.11676	19.2
173.04486	2.4
173.09537	3.9
173.11752	8.8
173.13260	13.1
175.11252	3.0
175.14755	4.3
177.12743	4.7
179.08363	1.6
179.14307	2.8
181.10126	7.1
181.12206	1.6
182.10988	2.1
183.11639	11.0
184.07344	6.8
185.13261	12.7
187.11191	4.6
187.14819	4.5
189.11186	5.6
189.12737	2.1
189.16310	2.3
191.14278	1.7
193.10071	1.6
193.12302	2.3
195.11684	4.9
195.13676	3.1
197.13258	9.9
197.22395	1.9
199.14804	5.7
201.12730	1.9
201.16328	2.1
205.12164	1.6
207.11707	2.5
209.13213	5.6
211.13081	1.9
211.14864	6.0
213.16415	2.8
215.14209	1.9
215.18021	2.6
217.12460	1.7
217.15919	1.8
221.13210	2.9
223.14839	3.9
225.16362	3.2
227.12694	9.0
229.14273	16.1
229.16255	1.7
235.14827	1.6
237.16454	1.9
239.18018	5.5
241.19531	8.3
245.18929	1.7
247.20522	1.8
249.16306	2.1
253.17950	1.8
257.18991	8.1
259.20593	15.0
267.15686	2.7
269.17303	8.8
273.18683	6.8
273.21680	1.8
275.20090	27.5
287.20215	1.9
289.17719	2.0
291.19528	4.1
293.21109	4.3
301.21652	2.2
313.21664	2.6
315.23099	2.6
325.25104	1.7
333.24258	14.3
339.23190	1.5
349.23822	22.9
353.24814	1.4
363.21426	2.2
365.23737	2.7
367.24710	3.5
381.26785	1.7
395.29623	1.8
423.27283	6.0
445.29263	4.3
451.31943	2.2
453.33374	1.8
463.30533	7.6
487.34134	6.8
495.35013	2.1
503.33728	3.7
505.34970	2.3
513.35815	18.2
515.37604	2.4
525.35455	4.4
527.37421	23.3
529.34894	3.8
543.36847	19.6
545.38586	1.7
561.37012	2.6
607.43518	15.1
623.42786	9.7
625.44550	9.8
637.39825	2.0
639.45679	1.6
641.44037	9.6
671.41418	1.6
689.42249	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	888.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.9
67.05507	100.0
68.05842	1.6
68.58425	1.3
69.03434	7.6
69.07069	47.4
71.05003	11.6
73.02908	2.9
77.03925	1.7
78.04679	1.8
79.05494	66.8
81.03423	16.2
81.07056	82.1
83.04974	12.5
83.08620	23.2
84.05291	1.5
85.02892	6.3
85.06536	6.3
86.09691	4.9
91.04896	2.9
91.05483	76.5
93.07047	77.2
94.07378	1.5
95.01305	2.0
95.04969	16.7
95.08607	53.9
97.02902	5.6
97.06535	20.4
97.10167	10.2
99.04471	1.7
99.08097	3.3
103.05500	2.5
105.04520	3.5
105.07033	70.4
106.07337	1.8
107.04947	14.3
107.08598	41.0
109.02888	3.9
109.06521	12.3
109.10161	38.4
109.10921	1.8
111.04424	2.6
111.08080	7.6
113.09594	1.8
115.05424	3.2
116.06224	1.6
116.83603	1.6
117.07026	29.7
119.04936	1.7
119.08581	54.1
120.08815	1.4
121.06514	8.0
121.10149	29.5
123.04404	2.1
123.08065	8.6
123.11742	8.4
124.22475	1.5
124.99957	2.0
125.05955	1.5
125.09630	11.8
127.03896	3.5
128.06221	5.6
129.05486	3.1
129.07004	20.1
130.07851	1.8
131.08568	38.8
133.06468	5.1
133.10135	42.4
134.10385	1.6
135.08064	9.0
135.11703	17.2
137.09567	7.5
139.11206	2.2
141.06987	6.4
142.07768	3.7
143.08586	16.8
145.06441	3.8
145.08946	1.7
145.10120	33.1
147.08063	4.8
147.11694	27.4
149.09627	14.4
149.13260	9.6
151.11131	6.8
155.08571	9.1
155.10648	1.9
156.09372	1.7
157.10136	18.2
159.08054	3.5
159.11681	27.8
161.09618	5.6
161.13254	10.9
163.11192	12.3
163.14804	2.4
165.09079	2.8
165.12750	3.3
167.08533	3.6
169.10132	14.7
171.10315	2.4
171.11699	17.8
173.04428	2.9
173.09637	2.6
173.11732	5.6
173.13252	13.0
175.11163	4.5
175.14833	3.5
177.09158	1.9
177.12781	6.1
179.08517	2.1
179.14284	3.8
181.10081	6.7
182.10815	1.6
183.11678	12.3
184.07344	16.2
185.09612	1.6
185.13228	12.4
187.11122	2.0
187.14851	4.4
189.11214	5.6
189.12738	2.9
191.21413	1.5
193.10184	2.3
193.12248	1.6
195.11702	7.0
195.13670	2.7
197.13246	8.7
199.14874	5.0
201.12834	2.4
201.16304	2.2
205.10185	1.8
205.12273	1.7
207.11743	2.5
207.13812	1.5
209.13249	4.7
211.14844	3.3
213.12886	1.7
213.16449	4.7
221.13286	3.2
221.15335	2.4
223.14886	3.4
225.12823	1.6
227.12674	7.8
229.14290	16.6
229.19507	3.8
233.15392	1.9
237.16431	1.8
239.17979	3.8
241.19600	7.7
245.19141	1.6
247.20560	2.5
251.18013	2.6
257.18906	9.0
259.20584	15.7
261.22031	2.1
269.17419	8.5
271.16824	2.7
273.18484	9.4
275.20065	32.4
276.20343	3.2
289.18002	2.1
291.19556	9.5
293.21207	3.1
295.20691	1.6
309.21777	1.9
311.23685	1.8
313.21860	2.5
314.56763	1.6
315.23270	1.9
323.23575	2.1
331.22653	3.6
333.24210	16.5
335.25885	1.9
347.22281	3.3
349.23740	23.1
350.24005	2.7
351.25076	2.3
353.24756	1.5
363.21664	2.6
365.23361	5.5
367.24744	3.4
373.18701	1.7
413.21658	1.6
421.30606	1.6
423.27490	10.4
435.32285	2.7
445.29300	1.9
453.33197	2.0
463.30478	4.7
469.33127	1.7
487.34106	7.2
503.33646	5.6
505.34329	3.1
513.35815	23.1
525.36029	2.5
527.37280	19.2
529.39301	1.7
543.36743	18.0
544.36658	1.7
545.37201	2.2
559.36493	2.2
605.42236	2.0
607.43384	15.4
623.43280	9.4
625.44647	14.2
641.43640	7.4
659.44342	2.6
673.38324	5.1
691.38635	3.4
855.75690	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	4.1
67.05508	59.1
69.03426	6.7
69.07069	31.1
70.06598	3.9
71.01351	0.9
71.04994	5.3
71.37744	0.7
72.08154	0.7
77.03927	1.3
79.05022	1.6
79.05495	62.7
81.03421	12.2
81.07058	100.0
83.04982	16.2
83.08622	19.5
84.04489	0.8
85.02914	4.4
85.06537	4.2
86.09707	5.2
91.05481	53.3
93.07047	49.4
95.01285	1.1
95.04975	25.8
95.08607	33.1
97.02890	1.8
97.06528	14.6
97.10169	22.9
99.04463	2.7
99.08095	4.2
103.05473	3.0
105.03397	1.3
105.04528	2.4
105.07034	40.3
107.04960	24.2
107.08598	37.0
109.02895	1.9
109.06517	21.1
109.10161	19.7
110.76234	0.6
111.04448	11.3
111.08083	10.1
113.06052	1.0
115.05418	3.3
117.07024	22.2
119.04950	1.9
119.08582	37.9
121.06509	15.2
121.10151	21.0
122.07295	1.0
123.04469	2.4
123.08075	20.8
123.08974	1.3
123.11716	2.9
124.99991	1.5
125.06043	1.5
125.09633	22.1
127.03891	1.0
128.06227	3.7
129.05522	1.3
129.07019	14.2
130.07811	2.6
131.04953	1.7
131.08578	22.9
131.09535	1.4
132.05743	1.0
133.06514	9.1
133.10136	25.6
135.08070	15.5
135.11699	15.4
136.07547	0.7
137.05988	1.6
137.09615	7.7
139.07544	1.6
139.11183	1.5
141.07018	3.7
141.09126	1.2
142.07785	1.9
143.08566	11.0
145.06509	5.8
145.10129	25.5
146.07243	1.1
147.08052	16.6
147.11694	13.9
147.12791	0.9
149.06030	0.9
149.09621	16.0
149.10754	1.1
149.13248	4.9
151.07620	0.9
151.11165	3.3
153.07001	1.0
153.09129	3.8
153.12741	6.3
155.08537	5.4
155.10597	1.2
157.06496	1.3
157.10132	10.7
159.08086	5.6
159.11694	11.7
161.09628	18.0
161.13222	4.3
163.07581	1.2
163.11182	22.2
165.09113	4.1
165.12790	2.9
167.08601	1.4
169.10077	4.1
171.08020	1.7
171.10182	1.9
171.11649	8.7
173.09637	8.5
173.11768	2.2
173.13287	3.0
175.11179	10.9
175.14864	1.3
177.09175	1.6
177.12675	4.7
179.10754	1.9
181.10197	2.3
181.12213	6.2
183.11731	3.1
184.07341	6.2
185.09727	2.2
185.13260	4.9
187.11148	3.6
187.14812	1.1
189.09355	1.2
189.11253	11.9
189.12816	2.7
191.10617	6.4
193.12250	5.7
195.11717	2.7
195.13763	0.9
197.13217	2.0
199.11234	2.5
199.14874	1.2
201.12859	1.2
201.16432	1.7
203.10664	1.3
203.14299	1.6
205.12288	2.2
207.13803	1.3
209.11766	1.8
211.13213	1.3
211.15042	1.6
213.12819	2.3
213.16440	1.6
217.12173	1.0
217.15981	0.9
219.13905	0.8
219.17461	1.0
223.13242	4.6
227.12767	12.7
227.17986	4.3
229.14217	3.8
231.13942	0.9
231.17464	1.5
233.15445	1.3
237.16606	1.6
245.13841	1.1
245.19048	8.8
247.17184	1.0
249.14906	2.4
251.16451	1.0
255.17548	7.6
257.19119	2.0
263.20001	4.2
265.14429	1.8
267.16010	3.8
269.17508	4.3
271.16928	1.2
273.18494	57.3
274.19299	0.9
275.20059	5.9
279.16000	0.8
283.15503	2.7
285.16943	7.4
289.18115	3.0
291.19543	61.6
293.21204	1.6
307.19266	1.1
309.20587	7.2
313.21469	0.8
319.22565	1.1
329.21201	2.5
337.23853	2.8
347.22180	25.0
349.23712	4.8
363.21646	1.2
365.23233	68.7
366.23605	1.7
367.24982	2.6
381.22879	5.1
383.24255	33.2
412.55548	0.8
455.27057	0.7
477.28598	1.1
483.30869	1.3
499.30658	0.9
501.32025	2.0
511.34567	0.9
513.32056	0.8
517.31677	3.1
527.34064	3.1
529.35260	2.0
535.32721	4.4
539.33728	1.8
541.35382	1.0
545.35089	3.5
557.34619	8.7
559.36298	2.6
563.36859	2.4
573.34271	1.3
575.35791	16.9
581.38318	2.4
593.36914	5.8
597.38232	1.0
609.41937	1.1
619.39899	3.8
627.42621	2.1
637.40912	21.7
639.42139	1.0
655.41980	35.7
656.42633	1.2
673.43048	23.2
691.44092	16.9
888.48541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	6.0
67.05505	95.8
69.03434	9.0
69.07069	44.9
70.96394	1.6
71.01340	3.8
71.04413	1.1
71.05003	10.8
73.02917	4.4
77.03899	2.2
78.47841	0.9
79.05494	76.7
80.06270	1.3
81.03417	18.3
81.07057	91.0
83.04981	28.7
83.08620	56.2
83.31685	0.9
85.02901	9.4
85.06553	6.7
86.09690	2.4
87.04490	2.0
91.05480	70.9
92.06291	0.9
93.03387	1.3
93.07043	75.4
95.01334	2.5
95.04969	100.0
95.08606	50.7
95.47196	0.8
96.05746	2.0
97.02892	15.5
97.06530	22.8
97.10168	30.9
98.07336	1.1
99.04456	7.9
99.08100	4.4
101.05997	1.3
103.05491	2.5
105.04526	2.7
105.07033	53.8
107.04208	1.2
107.04955	30.3
107.08595	59.0
109.02890	3.0
109.05796	1.7
109.06519	25.1
109.10161	45.2
111.04450	18.6
111.08087	16.1
111.11691	1.1
113.05939	1.1
115.05458	3.1
116.04706	6.4
116.06247	1.1
117.05489	1.2
117.07015	25.0
119.04919	1.2
119.08579	54.0
121.06503	16.8
121.10144	35.7
121.12546	1.0
122.07296	2.1
123.04456	6.5
123.08061	19.1
123.11696	5.5
125.05997	2.1
125.09630	33.8
127.03909	2.1
127.07555	1.9
127.11178	2.4
128.06238	2.0
129.04523	1.3
129.05489	18.9
129.06982	11.8
130.07776	3.2
131.04901	1.7
131.08566	33.4
131.09537	1.8
133.06516	5.8
133.10130	36.1
135.04404	1.7
135.08055	24.1
135.11694	23.7
137.05980	2.2
137.09624	25.2
138.10455	1.5
139.07574	2.3
139.11150	7.4
141.07016	3.9
141.09100	1.0
142.07832	1.2
143.07028	5.2
143.08548	8.8
144.09308	1.3
145.06499	4.9
145.10127	39.0
147.08061	16.4
147.11688	20.8
149.06119	1.1
149.08426	2.2
149.09621	40.6
149.13237	5.1
151.07550	2.4
151.11166	5.5
153.09093	11.7
153.12758	4.8
155.08549	5.5
155.10626	4.4
157.06560	1.1
157.08609	12.8
157.10118	9.8
158.05742	1.5
159.08069	3.7
159.11691	20.5
161.09615	11.8
161.13234	6.4
162.10361	1.0
162.45480	0.9
163.07552	1.6
163.11180	47.5
165.09122	6.1
165.12781	6.3
167.08604	1.1
167.10692	2.3
169.10123	6.0
171.06540	2.0
171.10173	8.3
171.11702	7.2
173.09642	4.8
173.11746	10.4
173.13281	6.8
175.11166	6.2
175.14771	1.3
177.09123	1.9
177.12720	7.7
179.10692	2.9
179.14384	1.2
181.12247	7.5
183.10295	1.3
183.11606	5.3
184.07304	4.4
185.08238	1.0
185.09679	2.1
185.11760	1.9
185.13289	3.4
187.11232	7.2
187.12766	0.9
187.14865	3.6
189.09332	1.5
189.11223	17.4
189.12810	3.6
191.10709	5.4
191.14281	3.3
193.12231	12.1
195.11751	1.7
195.13844	2.3
197.13295	4.5
199.11372	1.6
199.13260	3.2
199.14854	2.1
200.13960	1.1
201.12732	2.5
201.14693	1.4
203.10709	1.0
203.14430	1.3
203.63438	1.0
205.12227	9.6
205.15837	1.3
207.13774	1.6
209.11780	1.7
209.15250	1.0
211.11583	0.9
211.13263	4.6
211.14983	2.0
213.16399	1.1
215.14320	1.2
215.17970	1.0
217.14278	1.5
219.13800	1.8
221.11711	3.8
222.15950	0.9
223.13289	57.3
226.11958	1.1
227.12770	14.0
227.14630	1.3
227.17892	1.4
229.14319	18.1
229.16251	1.5
229.19499	5.2
231.13658	0.9
233.15364	1.9
233.19046	1.1
234.84654	0.9
237.14571	1.1
237.16597	1.3
239.12816	4.2
239.17982	7.7
243.17712	1.3
245.19051	3.9
247.20605	3.7
251.16660	1.3
255.15631	2.0
255.17848	2.2
257.18985	15.4
261.18591	2.1
263.20135	1.8
267.15735	1.6
269.17480	4.5
271.17014	2.4
271.75458	0.9
273.15482	1.4
273.18497	21.1
274.18939	1.3
275.20059	90.8
276.20364	1.1
279.15948	1.8
283.15234	1.4
289.17972	6.6
290.18652	1.6
291.19556	22.1
293.21100	53.0
295.15494	3.2
297.16904	1.1
302.89484	0.9
307.19003	3.0
309.20435	2.1
311.22342	1.4
313.16339	2.7
329.21198	1.0
331.22806	2.1
347.22134	14.6
349.23727	43.8
363.21411	3.2
364.22351	1.6
365.23245	26.9
366.23874	1.2
367.24786	66.8
368.25107	1.3
381.22565	9.0
381.26596	1.0
383.24252	1.1
399.23767	55.5
413.21402	1.0
421.25833	1.2
423.27222	1.1
445.29425	1.3
463.30374	2.7
491.33450	1.7
503.33801	12.6
519.33185	1.2
521.26837	1.4
521.34723	27.5
525.35901	1.1
529.35498	2.6
537.33252	1.3
541.35828	1.1
543.36816	8.1
547.36169	3.2
559.35797	2.1
561.37799	8.4
587.35437	1.5
605.36401	2.6
607.36414	1.1
621.41107	5.0
623.43140	4.4
639.42743	26.0
640.43152	1.4
641.43951	3.7
655.42096	4.0
656.42511	1.4
657.43652	25.9
673.43103	21.1
691.44171	63.2
705.41772	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18595	1.1
65.03938	2.8
67.05505	53.6
69.03432	6.5
69.07072	29.1
70.06593	5.6
71.04983	5.2
71.53366	1.9
72.08138	1.2
74.98669	1.1
77.03883	1.2
79.05495	56.6
79.77259	1.1
81.03418	10.3
81.07058	100.0
83.04986	14.0
83.08625	18.1
85.02889	3.7
85.06519	4.9
86.09704	8.9
91.05482	51.7
92.05811	1.4
93.07048	48.4
95.01363	1.6
95.04381	1.6
95.04974	26.1
95.08611	28.3
97.02879	4.3
97.06526	13.8
97.10168	17.8
99.04461	2.9
99.08067	3.3
103.05483	2.4
105.04560	1.8
105.07034	43.7
107.04955	23.5
107.05649	2.5
107.08599	35.2
109.02856	1.3
109.06528	23.4
109.10165	16.9
111.04449	12.4
111.08091	9.4
115.05436	3.6
117.07029	19.7
119.04927	3.4
119.08586	37.8
121.06512	12.6
121.09344	1.5
121.10151	21.8
121.51775	1.1
123.04420	1.3
123.08073	25.5
123.11700	3.7
124.99944	1.8
125.05946	1.5
125.09635	19.9
128.06213	3.5
129.05490	1.8
129.07001	13.6
131.04915	2.2
131.08569	27.6
133.06508	7.5
133.10136	24.7
135.08072	14.4
135.11690	15.1
136.07533	1.7
137.09613	8.1
139.11232	1.7
141.07010	2.9
142.07729	3.0
143.08556	13.2
145.06483	4.6
145.10135	25.4
147.08051	18.3
147.11664	12.6
147.24141	1.2
149.05994	1.4
149.09621	16.5
149.13264	3.1
151.07529	1.9
151.11218	3.5
153.09094	5.1
153.12759	6.0
155.08498	3.7
157.06546	1.7
157.10136	15.4
159.08025	4.8
159.11710	12.0
159.19627	1.3
161.09628	19.7
161.13274	4.3
163.11191	25.6
165.09167	6.5
165.12811	3.2
167.08633	1.7
169.10059	5.4
171.10396	1.4
171.11667	7.1
173.09624	6.5
173.13277	3.0
175.11203	12.4
177.12691	6.3
181.10034	1.7
181.12268	6.7
183.11664	1.4
184.07339	9.4
185.09702	1.9
185.13306	4.6
187.11150	4.1
189.11214	11.4
189.12744	3.8
191.10670	5.9
193.12286	6.8
195.11652	3.1
197.12978	2.0
199.11198	3.6
201.16585	1.4
203.10728	1.6
203.14221	1.4
205.12244	2.4
209.11655	2.7
213.16454	1.6
217.15805	2.0
219.13654	1.3
219.17314	1.5
223.13301	5.1
227.12799	12.9
227.17923	4.8
229.14307	2.2
237.16385	2.4
245.13823	1.9
245.18947	9.4
249.14864	2.5
253.14227	2.1
255.17688	7.5
263.20010	4.1
267.15912	3.5
267.43088	1.2
269.17484	2.1
271.16849	1.8
273.18506	65.6
275.20056	4.9
283.15408	2.6
285.16879	7.3
289.17883	4.1
291.19553	74.9
293.20963	2.8
309.20551	10.4
329.21292	2.0
337.23651	2.6
347.22192	31.4
349.23703	3.6
363.21716	2.0
365.23242	70.8
366.23749	2.1
367.24738	3.5
381.22760	3.9
383.24292	41.5
399.28799	1.4
424.78760	1.8
483.31137	2.3
511.34091	1.4
517.31488	4.1
527.33911	2.3
529.35211	2.5
535.32642	3.3
539.33453	1.6
541.35333	2.4
545.35052	4.5
557.34656	9.2
559.35956	2.4
563.36182	2.5
575.35583	14.4
581.37854	1.8
593.37292	5.7
609.41901	2.6
619.39526	4.4
627.42419	2.3
637.40979	25.7
639.42291	1.6
655.31256	2.4
655.42096	40.1
673.43036	26.6
691.44342	19.0
822.67419	1.6
856.17102	1.5
888.48920	2.2
901.80145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.5
67.05506	36.4
67.05834	1.7
68.05804	0.8
69.03429	6.5
69.07070	19.9
69.07416	0.9
69.30275	2.0
69.30710	2.4
71.04985	5.1
72.61658	0.5
73.02870	0.6
77.03887	1.1
79.05492	45.4
81.03415	6.3
81.07056	44.6
83.04984	12.1
83.08618	26.4
85.02892	4.5
85.03735	0.5
85.06534	2.3
86.09679	0.9
88.97891	0.7
89.01559	0.8
89.46059	0.5
91.05482	36.9
92.05765	0.6
93.03310	0.6
93.07045	42.2
93.36494	0.5
95.01302	1.2
95.04968	59.1
95.08608	26.8
95.09184	0.6
97.02847	1.7
97.06535	6.6
97.10164	12.6
98.20756	0.8
99.04462	3.6
99.08047	1.8
101.01534	0.8
102.99447	0.6
103.05419	2.1
105.04459	1.5
105.07034	32.0
107.04954	16.0
107.08594	36.5
109.02879	3.5
109.06513	8.7
109.10157	14.9
111.04446	8.4
111.07392	0.5
111.08088	6.7
111.11601	0.5
113.05981	0.9
113.09574	0.6
115.05428	2.6
117.07017	19.5
119.04942	0.8
119.06066	0.9
119.08582	29.6
121.06506	10.2
121.10138	17.3
123.04445	2.4
123.07207	0.6
123.08065	9.4
123.11687	3.0
124.99926	0.8
125.05975	1.0
125.08787	0.7
125.09633	13.2
127.11230	0.4
128.06137	1.6
129.00980	2.0
129.07008	6.3
129.30325	0.5
130.04926	0.6
130.07774	1.0
130.98895	2.2
131.02565	0.5
131.04900	0.9
131.08580	17.0
132.08926	0.5
133.06479	2.9
133.10129	20.8
134.10458	0.6
135.04384	1.0
135.08055	19.3
135.11691	9.8
137.05911	0.7
137.09618	8.1
139.03047	0.6
139.11189	1.4
141.00975	1.1
141.04604	0.7
141.07033	2.6
142.07780	0.6
143.07678	0.6
143.08562	6.2
144.09305	0.5
145.06459	4.4
145.10123	21.2
147.08049	6.6
147.11684	10.1
148.34425	0.5
149.09619	24.8
149.13202	1.9
151.07498	1.5
151.11215	3.0
153.04572	1.1
153.09055	2.2
153.12697	1.9
154.07715	0.8
155.08557	3.4
157.04280	0.6
157.10136	5.5
159.08046	3.1
159.10506	0.6
159.11703	10.4
161.09615	7.4
161.13223	3.7
163.07555	5.4
163.11179	24.9
163.14780	1.1
165.09065	1.6
165.12677	3.4
167.10692	0.7
169.10127	4.3
171.05766	4.4
171.10123	1.4
171.11635	3.7
173.09682	3.5
173.11841	1.0
173.13187	3.3
175.11185	3.4
175.14818	1.3
177.09058	0.7
177.12741	3.3
177.14001	0.6
179.10599	2.1
179.14246	1.2
181.04094	0.6
181.10091	0.7
181.12210	1.7
183.11667	2.8
184.07364	2.6
185.09662	0.7
185.13205	1.9
187.11133	3.6
187.14807	0.8
189.06853	1.0
189.09413	1.1
189.11176	8.6
189.12723	1.5
191.10597	1.9
191.14261	1.5
193.12207	2.5
197.07184	0.5
197.13205	2.2
199.05135	2.2
199.11160	0.6
199.14752	1.1
201.12714	1.5
201.16356	1.0
203.14281	0.6
205.12231	4.7
207.11816	0.6
207.13794	0.7
208.79561	0.5
211.08601	0.6
211.13074	1.1
211.14879	1.1
215.14238	1.5
215.16104	0.6
215.17966	1.0
219.13742	0.8
221.11612	1.4
223.13280	28.7
225.16267	1.0
227.08383	0.6
227.12733	2.2
229.14215	0.7
229.19504	3.0
233.18874	0.6
239.18010	3.2
243.17577	2.4
245.18974	0.6
247.20578	1.6
257.19000	6.1
259.20471	1.1
261.14215	0.7
261.18439	1.4
268.72690	0.5
269.17441	0.9
271.16946	3.3
273.18469	2.7
275.20062	47.3
276.20370	1.2
279.15219	2.5
289.17963	7.6
291.19525	4.6
293.21106	33.8
294.21561	0.8
307.14655	0.6
311.22122	1.2
325.15643	1.5
331.22742	1.2
333.24252	0.7
335.25797	0.8
347.22357	0.8
349.23724	23.7
350.24118	0.7
365.23138	4.2
367.24792	49.1
368.25040	0.7
383.19693	0.7
387.52524	0.5
399.19342	93.6
400.19730	1.5
401.20825	2.2
490.48218	0.7
505.35138	0.6
529.38525	0.7
566.28650	0.6
637.40912	3.9
641.45367	0.9
655.42120	2.3
673.38635	31.5
674.39087	0.9
691.39697	100.0
692.40692	3.1
709.40833	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	886.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	6.7
66.81590	1.1
67.05507	92.5
69.03430	10.2
69.07069	39.5
71.04990	18.3
71.52531	1.6
72.81708	1.1
73.02919	2.7
73.06548	1.8
73.19838	1.3
74.09711	1.7
77.03938	2.7
79.05495	85.5
79.28215	1.3
81.02971	1.8
81.03425	15.5
81.07059	100.0
81.92728	1.2
83.04977	13.8
83.08619	18.8
85.02901	7.5
85.06535	5.8
87.02698	2.1
91.05484	92.5
93.07047	87.0
95.04970	18.8
95.08609	53.3
97.02885	7.9
97.06536	19.3
97.10165	9.2
99.04458	2.7
99.08109	8.8
103.05453	4.2
105.04517	4.0
105.07034	83.8
107.04964	11.2
107.08597	51.9
109.02864	2.9
109.06524	11.9
109.10158	23.5
111.04411	3.5
111.08051	6.4
113.05978	1.4
113.09653	2.3
115.05461	4.1
116.06226	2.0
117.07020	35.1
119.08584	67.4
121.06510	7.7
121.10145	35.1
121.11027	1.6
123.04416	3.0
123.08058	9.4
123.11738	8.5
125.09637	9.6
127.03901	2.3
128.06232	6.4
129.05511	3.2
129.07005	25.2
130.07782	3.4
131.04898	1.2
131.08569	51.3
133.06464	3.5
133.10132	43.7
135.08080	8.0
135.11687	19.3
137.09581	6.3
139.11194	3.8
141.07014	6.1
142.07765	4.8
143.08571	24.4
144.09370	1.9
145.06520	4.6
145.10123	41.5
147.08051	5.2
147.11697	31.7
149.09624	14.1
149.13254	12.9
151.11174	8.8
153.07031	1.8
154.07874	1.4
155.08540	13.3
156.09366	1.6
157.06493	2.2
157.08810	1.9
157.10136	22.6
159.08026	3.1
159.11687	31.4
161.09630	5.3
161.13289	16.4
163.11185	11.7
163.14847	2.4
165.06963	2.9
165.09132	2.6
165.12755	4.5
166.07925	1.3
167.08542	6.8
168.09406	1.7
169.10103	15.9
170.10794	1.6
171.08058	1.6
171.11696	20.8
172.56952	1.2
173.04478	4.8
173.09679	3.0
173.11786	2.0
173.13272	17.2
175.11214	4.9
175.14876	6.9
177.12753	5.4
179.08516	2.3
179.14276	3.6
180.09334	1.8
181.10094	10.5
181.12366	1.5
183.10196	1.8
183.11667	17.9
184.07378	1.9
185.09631	2.7
185.13269	16.0
187.11224	4.2
187.14833	5.4
189.11160	1.7
189.12749	3.1
189.16400	1.5
191.10742	2.1
193.10217	2.5
195.08089	1.6
195.11691	10.3
195.13396	1.8
197.09579	1.1
197.13268	11.5
199.11226	2.4
199.13216	2.1
199.14801	7.6
201.12817	2.6
201.16420	1.9
203.14282	1.8
205.10149	1.7
205.15877	1.5
207.11671	4.1
207.13644	1.5
209.13258	6.8
209.15196	2.2
211.14864	6.4
213.16383	3.0
215.17953	1.5
217.15926	2.2
221.13326	5.0
223.14856	5.4
225.16405	3.0
227.12692	2.3
229.14291	3.3
229.19505	2.7
231.21152	1.6
233.13284	1.4
233.15385	2.2
235.14911	2.3
237.16443	3.2
239.18018	3.1
241.19513	10.7
243.21129	2.1
247.14864	1.9
247.20595	2.2
253.19798	1.7
257.19040	7.5
259.20578	25.7
261.22159	2.9
267.15768	3.2
269.17584	8.8
273.18539	8.4
275.20093	19.2
277.21768	2.9
279.20959	1.5
283.20456	2.2
287.20038	1.8
289.18039	1.7
291.19492	9.6
293.21225	3.3
295.20630	1.7
297.22122	2.2
301.21637	1.9
305.21259	1.4
307.22772	1.6
313.21735	2.0
315.23288	5.1
317.24399	1.5
323.23618	1.4
325.21725	1.8
331.22736	2.6
333.24280	36.6
335.25983	7.2
339.23257	2.1
349.23911	12.9
351.25317	1.4
365.23407	3.0
367.26642	1.9
379.26498	1.8
381.26663	2.3
385.23923	2.1
399.23871	2.9
413.22037	2.8
417.31247	3.6
421.30573	2.1
435.32538	10.5
445.30573	2.1
453.33655	4.0
473.34125	1.8
487.34082	1.7
489.35944	2.9
495.34583	2.1
499.34058	1.5
501.36047	1.5
509.36255	10.3
513.35754	20.8
515.37994	4.9
527.37323	83.6
528.37750	1.4
533.40088	2.9
537.35419	2.1
543.36877	2.2
545.38153	2.8
553.38477	2.0
559.39246	3.6
567.40192	3.1
569.37390	2.2
581.38019	1.8
605.41205	1.5
607.43518	44.4
607.53284	2.1
608.43719	2.0
623.42938	6.9
625.44623	19.1
635.39319	6.5
639.46344	13.7
653.40442	8.8
657.43958	4.5
671.42151	15.6
689.42926	25.3
769.48901	3.3
801.51318	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	7.5
67.05508	93.1
69.03432	7.2
69.07072	39.2
70.64420	2.1
70.64790	2.3
71.04993	16.4
73.02925	4.5
73.06578	1.1
75.54998	1.4
77.03934	1.8
79.05020	1.4
79.05495	79.8
81.03424	17.9
81.07060	100.0
83.04981	15.0
83.08621	18.2
85.02919	9.2
85.06538	8.1
85.10239	1.1
87.04464	1.7
88.90580	1.1
89.04044	1.1
91.03972	2.9
91.04904	3.0
91.05485	82.4
93.07049	92.7
95.04964	15.3
95.08612	56.3
97.02882	7.1
97.06533	21.6
97.10160	10.5
99.04440	4.0
99.08080	7.5
103.05473	2.6
105.04501	3.1
105.07036	73.5
107.04958	10.6
107.08601	53.6
109.02878	3.3
109.06528	14.8
109.10160	26.7
111.04453	3.3
111.08106	8.3
113.06041	1.5
113.09569	1.3
115.05466	5.1
116.06233	2.0
117.07023	33.2
119.04960	1.3
119.08586	59.7
121.02904	2.0
121.06524	8.0
121.10143	32.5
123.04487	1.4
123.08064	6.5
123.11707	7.1
125.09639	8.5
127.03922	3.9
128.06221	6.1
129.05481	3.8
129.07004	21.5
130.07791	2.2
131.08572	48.7
133.06506	3.7
133.10143	46.4
135.08084	8.7
135.11679	21.0
137.09622	6.9
137.13234	2.0
139.11192	3.5
141.06953	8.0
142.07771	5.0
143.08571	23.6
144.09346	2.7
145.06500	4.0
145.10129	41.6
147.08032	4.7
147.11694	33.6
149.05994	1.5
149.09647	15.1
149.13271	13.1
151.11189	8.3
153.07013	1.7
153.12852	1.8
154.07790	1.9
155.08560	16.3
155.10516	1.3
156.09315	1.8
157.10138	27.4
159.08060	4.0
159.11694	30.3
161.09586	7.0
161.13234	14.4
163.11188	11.2
163.14896	3.1
165.12758	5.6
166.07819	1.6
167.08553	6.2
168.09280	1.4
169.10153	17.1
171.08017	1.9
171.11705	21.8
172.12357	1.2
173.04489	5.9
173.09578	3.8
173.11812	2.4
173.13260	20.2
175.11188	3.7
175.14856	5.7
177.12733	5.3
179.08636	2.1
179.10564	1.4
179.14304	2.4
181.10155	6.3
181.12245	1.7
183.08023	1.6
183.11725	16.7
184.07352	2.3
185.09668	1.6
185.13275	15.8
187.11203	4.2
187.14766	5.9
189.11174	3.2
189.12752	2.0
189.16451	1.5
191.10858	1.7
193.10118	2.6
193.12314	2.6
195.11711	9.1
195.13603	2.1
197.13264	12.6
199.11116	2.4
199.14903	8.1
201.12685	2.5
201.16469	1.9
205.10217	1.7
207.11763	4.1
209.13251	6.7
211.11324	1.7
211.14827	7.1
213.12871	2.1
213.14629	1.4
213.16403	4.1
215.14461	1.7
215.18004	3.1
217.15872	2.2
221.13287	4.4
223.14897	6.1
225.16370	2.9
227.12709	2.7
227.14702	1.4
229.14359	5.6
229.19658	2.4
237.16447	2.3
239.17938	4.9
241.19574	10.8
243.21161	1.8
245.19098	2.0
251.17969	2.0
257.19116	7.6
259.20581	24.9
261.22214	2.7
267.15927	3.8
267.20367	1.3
269.17365	9.0
271.20511	2.1
273.18509	8.8
275.20071	20.5
277.21716	1.6
283.20618	1.7
285.22070	1.5
287.20157	1.8
291.19586	5.3
293.21039	1.8
295.20609	1.6
297.22144	1.4
301.21548	2.1
307.22778	2.5
309.22250	2.1
313.21622	2.2
315.23267	4.2
321.22144	1.8
325.21478	1.5
329.24347	1.6
331.22729	2.1
333.24298	27.9
335.26175	6.2
337.21674	1.5
339.17908	2.0
339.23251	1.8
347.22299	2.3
349.23840	13.9
351.26187	2.1
355.26425	1.4
365.23590	2.9
379.26236	1.4
381.26483	3.8
399.23779	4.4
403.24945	2.2
413.21942	2.7
417.31128	1.8
421.30923	1.6
435.32690	11.6
453.33572	3.6
471.34579	1.6
473.33530	2.3
482.17230	1.4
487.34085	3.2
489.35699	2.7
495.34927	2.6
507.34079	1.5
509.36484	10.2
513.29089	2.1
513.35901	22.9
515.37952	5.3
525.35437	3.1
527.37360	94.7
528.37817	1.8
529.38538	4.4
533.40137	1.8
537.35999	1.5
539.37518	1.5
543.36438	3.4
545.38379	4.0
559.39270	4.6
581.38391	3.8
589.42297	2.9
607.34247	2.3
607.43591	44.1
608.44281	1.5
617.38232	2.2
623.42352	3.7
625.44598	22.1
635.39618	6.8
639.46387	13.9
653.40472	9.3
657.43445	5.5
671.41895	12.8
689.42712	26.7
769.48920	3.0
801.51227	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73016	1.4
65.03934	5.5
67.05511	72.6
69.03434	7.5
69.06730	2.3
69.07071	28.4
71.04448	2.8
71.05022	8.7
77.03920	2.7
79.05499	63.3
81.03421	18.1
81.07062	100.0
83.04996	17.2
83.08157	2.2
83.08627	37.9
85.02904	5.1
85.06541	4.7
86.09716	3.4
91.05486	57.9
93.07052	60.4
94.31506	1.5
95.04971	38.7
95.08616	37.6
97.02885	4.4
97.06544	17.5
97.10173	18.4
98.20705	3.4
99.04427	1.6
99.08097	2.8
99.68328	1.5
103.05499	2.1
105.04500	2.7
105.07038	44.3
107.04961	26.8
107.08602	46.5
109.06523	18.9
109.10162	35.3
111.04453	9.1
111.08092	12.5
113.06001	2.4
115.05460	3.1
117.07027	23.9
119.04908	2.5
119.08597	45.1
121.06531	13.4
121.10152	22.0
123.04431	2.0
123.08080	16.7
123.11720	5.3
125.05991	2.3
125.09632	18.6
127.03915	2.0
128.06247	3.1
129.05577	1.6
129.06993	10.9
130.07834	2.5
131.04916	1.8
131.08589	26.9
133.06520	7.6
133.10150	36.4
135.08080	14.5
135.11693	16.1
137.05998	1.7
137.09628	10.3
139.11212	2.3
141.07016	2.1
143.08571	11.7
145.06503	4.6
145.10127	28.6
147.08095	11.7
147.11707	15.2
149.09624	24.9
149.13277	6.1
151.11177	8.6
153.09135	4.3
153.12749	4.3
155.08557	4.3
157.10138	9.9
159.08076	5.2
159.11719	16.2
161.09645	9.6
161.13268	6.0
163.11186	29.1
163.14883	1.7
164.11684	1.6
165.09106	3.5
165.12756	5.5
169.10150	5.4
171.11723	6.5
171.39307	1.4
173.09703	6.8
173.11900	2.8
173.13310	5.5
175.11156	7.9
177.12758	5.6
179.10759	4.3
179.14288	2.8
181.10115	2.0
181.12267	3.6
183.11687	2.4
184.07385	5.8
185.09735	1.9
185.13290	3.9
187.11168	2.9
187.14796	2.7
189.11226	9.2
189.12776	3.8
191.10670	3.4
191.14308	2.7
193.12231	6.3
195.11806	2.3
197.13283	3.1
199.14868	2.3
201.12755	3.0
203.14418	2.3
205.12251	5.3
207.13837	3.5
211.13194	2.6
215.14549	1.9
217.16028	1.5
223.13266	7.9
227.12752	15.5
227.17947	2.3
229.14281	5.8
229.19531	2.1
229.60135	1.9
233.15408	1.9
239.17937	4.5
245.18904	2.4
249.14806	2.0
251.16472	1.6
253.14343	9.5
255.17580	4.0
257.18915	8.2
267.15887	2.8
269.17538	4.7
273.18503	31.1
275.20084	52.5
276.20358	2.4
283.15424	3.3
289.17935	3.8
290.18286	1.6
291.19577	56.0
293.21201	5.1
307.18832	1.6
309.20575	6.1
331.22537	3.0
333.24219	2.1
347.22217	16.5
349.23740	64.8
350.24136	2.7
351.25235	2.4
365.23264	36.3
367.24814	6.7
381.22531	2.6
381.26505	20.1
383.24261	14.6
397.25839	4.3
399.24176	1.7
447.27332	2.2
461.28726	2.2
479.30212	3.2
503.33844	1.8
519.33167	15.4
527.34204	1.8
529.36005	2.0
541.35101	8.8
543.37042	2.4
559.36279	37.5
565.39227	1.7
575.35980	1.5
577.37372	2.5
583.39685	1.8
599.39471	1.7
621.41486	18.3
639.42560	66.0
653.44055	2.8
657.33771	2.1
657.43756	27.2
671.45392	20.2
675.44580	1.9
689.46503	25.3
865.72455	2.0
886.42438	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.61
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	28.8
69.03454	1.5
69.07073	9.9
71.05002	7.2
71.52898	1.4
79.05504	22.7
81.03441	2.0
81.07067	27.7
83.04988	3.6
83.08624	5.3
85.02927	1.8
85.06549	1.7
86.09715	1.5
91.03991	0.9
91.05489	16.8
93.07049	23.3
95.04968	3.9
95.08615	19.5
97.02883	1.7
97.06544	4.7
97.10188	2.1
99.08096	1.8
102.84559	1.0
105.07041	10.9
107.04977	2.0
107.08606	16.0
109.06529	2.8
109.10168	11.1
111.08100	2.4
113.09686	1.3
117.07058	6.1
119.08583	12.4
121.10155	10.0
123.08114	1.7
123.11743	2.0
125.09621	1.9
129.07013	2.0
131.08548	8.2
133.10147	9.8
135.08087	2.1
135.11676	7.6
143.08606	1.9
145.10144	6.1
147.11679	6.0
149.09647	3.4
149.13289	4.6
151.11139	2.0
153.12686	1.4
157.10184	1.3
159.11702	8.7
161.13286	4.4
163.11244	1.6
169.10075	1.3
171.11790	1.7
173.11844	1.4
173.13300	2.9
177.12695	1.2
183.11707	1.5
184.07384	3.3
185.13368	1.9
187.11238	1.1
189.11281	1.1
195.13780	1.9
227.12834	3.1
229.14365	11.1
257.18979	2.1
259.20581	1.6
261.22125	5.7
269.17465	6.9
275.20090	14.7
290.90881	1.1
293.21198	1.0
307.22775	2.0
313.27411	1.3
321.16617	1.2
331.22620	1.4
333.24231	2.3
335.25839	42.6
349.23776	15.0
367.25244	1.4
381.26590	3.4
413.21750	3.2
450.95206	1.0
489.35751	7.3
507.36569	2.3
515.37195	1.9
529.38947	100.0
543.36578	1.5
553.38470	1.4
569.42200	7.7
575.38916	1.8
591.43665	1.2
609.45142	22.5
627.45831	4.7
641.47803	7.0
644.65320	1.1
655.43085	1.6
673.42633	3.5
884.61816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.4
67.05503	45.9
67.92600	0.5
69.03424	6.9
69.07068	30.2
70.06573	2.0
71.04993	4.5
72.08172	0.6
73.02910	1.1
73.06570	0.6
74.71362	0.5
74.95153	0.5
77.03911	1.3
79.05491	54.9
80.05834	0.7
81.03417	14.3
81.07053	87.9
82.07379	0.5
83.04981	15.4
83.08614	21.3
85.02901	4.9
85.06535	2.3
86.09709	2.1
87.04473	0.7
91.05476	39.7
93.03403	0.6
93.07041	40.8
95.01334	0.7
95.04964	20.9
95.08604	19.5
97.02895	3.3
97.06526	11.8
97.10166	30.3
98.21620	0.9
99.00818	2.5
99.04436	3.0
99.08086	2.9
101.09657	0.8
103.05477	1.8
105.03389	0.7
105.04523	1.6
105.07029	30.9
107.04955	16.6
107.08594	30.8
109.02880	5.7
109.06519	16.4
109.10149	14.4
111.04437	14.2
111.08081	9.5
113.06028	0.9
115.05418	3.3
116.06223	1.1
117.07011	16.7
119.04919	2.4
119.08575	30.0
121.02896	0.7
121.06501	12.7
121.10137	15.3
123.04440	4.6
123.08064	20.4
123.11720	1.3
124.66297	0.6
125.06020	1.5
125.09628	26.9
127.03934	1.3
128.06239	3.1
129.05515	0.7
129.07007	8.5
130.07797	1.3
131.04924	1.2
131.08560	16.1
133.06503	6.8
133.10124	17.9
133.11093	1.0
135.04419	1.7
135.06975	0.9
135.08047	18.9
135.11676	11.7
137.05992	1.6
137.09612	8.4
139.07544	2.0
139.11197	1.5
141.07011	1.9
141.10204	0.6
142.07788	2.1
143.08565	9.2
143.10629	0.9
144.09381	0.6
145.06482	6.8
145.10120	18.0
146.07249	0.9
147.08035	13.4
147.11684	8.0
149.05988	1.0
149.09628	9.5
149.13274	2.1
151.07622	1.1
151.11174	3.8
152.06325	0.5
153.07095	0.8
153.09108	6.2
153.12749	6.8
155.06030	0.7
155.08563	3.5
155.10667	0.5
157.06493	1.1
157.10126	9.3
159.08034	6.0
159.11684	6.6
161.09625	15.1
161.13255	1.9
163.07532	7.4
163.11176	19.7
163.14812	0.6
165.09123	4.6
165.12730	0.9
167.08549	1.3
167.10751	0.8
169.10109	3.0
169.13406	0.7
171.08067	1.6
171.10182	3.2
171.11702	3.8
173.09637	6.4
173.11166	0.6
173.11839	1.1
173.13295	1.8
175.11179	7.3
175.14699	0.6
177.09128	1.6
177.12721	3.1
179.10667	2.7
181.10143	1.3
181.12248	6.4
183.11713	1.7
185.09656	1.6
185.13263	2.2
187.11133	2.5
187.14789	0.5
189.09187	2.2
189.11238	15.0
189.12764	2.0
191.10675	5.7
191.14343	0.9
193.10410	1.1
193.12234	20.8
195.11720	1.7
195.13698	0.6
197.13271	0.9
199.11217	1.6
201.12787	1.1
201.16341	0.5
203.10712	1.0
203.14342	1.0
205.12292	2.0
207.10216	0.7
207.13911	0.6
209.11758	1.8
211.11366	0.7
211.13272	1.9
211.14983	1.0
213.12814	1.0
213.16313	1.3
215.14351	1.0
217.12064	0.6
219.13786	1.3
221.11731	1.0
221.15300	0.5
223.13275	4.7
225.11153	1.1
227.12764	20.7
227.14908	1.1
227.17918	2.1
231.13771	0.8
231.17395	0.9
233.15392	0.8
237.16437	1.0
239.12741	0.7
243.17476	3.3
244.03036	0.5
245.13799	1.2
245.19012	3.8
247.17014	0.8
249.14865	2.2
255.17467	4.1
261.18527	3.1
263.20126	1.0
267.16031	1.3
271.16949	5.7
273.18484	37.2
274.18893	0.9
275.20105	0.7
283.15387	6.5
287.16467	0.8
289.17978	22.4
291.19531	63.6
292.20001	1.2
299.19922	0.5
305.17303	0.6
307.19034	6.6
309.17224	0.6
309.20569	10.3
329.21161	1.5
345.20691	1.3
347.22180	13.5
349.23596	0.9
363.21640	9.7
365.23224	46.0
376.41306	0.5
379.21237	0.7
381.22702	100.0
382.23062	1.7
383.24268	20.5
409.27466	0.7
427.28125	0.7
465.30600	0.8
513.86078	0.5
529.31378	1.1
533.30695	3.2
543.34076	1.1
544.37048	0.7
545.35065	0.7
551.31708	3.1
555.33069	3.8
557.34607	1.4
561.35553	1.7
573.34338	6.9
575.35803	0.8
579.36530	2.0
589.33435	2.4
591.35107	1.4
597.37933	2.8
607.34631	3.1
617.38525	0.7
625.40875	1.0
635.39410	7.2
643.42212	0.9
653.40491	27.8
654.40930	1.3
671.41504	71.2
672.41785	1.9
689.42554	45.4
690.43005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	4.6
65.42817	1.8
67.05506	48.0
69.03430	4.9
69.07078	23.5
69.28561	8.3
69.28999	7.1
70.06579	7.7
71.04972	5.8
79.05496	46.7
81.03427	9.9
81.06600	3.6
81.07059	63.5
82.07355	2.2
83.04993	14.3
83.08627	41.0
84.04495	2.0
85.02903	3.9
86.09720	12.6
91.05484	41.2
93.07049	46.4
95.01337	2.1
95.04971	46.9
95.08614	27.3
97.02899	2.4
97.06550	11.9
97.10184	18.2
99.04453	2.8
99.08060	2.4
105.07043	38.9
107.04963	20.2
107.08602	38.2
109.06532	15.8
109.10159	16.3
111.04469	10.3
111.08086	10.2
115.05437	3.2
117.07014	19.4
119.00600	1.9
119.07722	2.0
119.08580	41.4
121.06488	7.2
121.09350	1.9
121.10146	23.3
123.08075	12.2
123.11678	2.7
124.99933	2.9
125.09634	20.0
127.03883	1.9
128.06247	2.0
128.80492	1.9
129.05481	2.5
129.06996	6.1
131.08578	23.2
133.06491	2.6
133.10121	29.7
135.08063	12.5
135.11699	14.9
137.09615	7.9
139.11156	5.4
141.07045	2.3
141.19644	1.8
143.08531	8.3
145.06494	3.7
145.10146	29.8
147.08040	7.5
147.11700	14.3
149.09622	29.1
149.13292	4.1
151.11101	3.2
153.09090	2.6
153.12737	2.4
155.08496	3.0
157.10161	8.9
159.08017	3.7
159.11707	18.1
161.09639	6.7
161.13225	9.7
163.11177	34.4
165.09058	3.2
165.12762	6.6
169.10109	5.3
171.10175	4.2
171.11678	5.9
173.09607	6.3
173.11841	2.4
173.13229	6.5
175.11237	3.8
175.14862	3.8
177.12733	8.1
181.12262	4.3
183.11639	5.2
184.07370	12.7
185.13228	5.1
187.11176	5.1
187.14757	2.7
189.11232	17.0
191.10620	3.2
193.12228	6.1
197.13155	3.5
201.12827	2.6
205.12160	4.5
209.13232	2.0
223.13313	37.6
227.12810	24.6
229.19556	3.0
239.17982	5.4
241.19481	5.3
245.13707	2.1
245.18961	2.1
247.20586	4.4
255.17662	2.7
257.19080	14.4
259.20535	18.0
267.15875	2.5
268.16592	2.6
269.17429	4.9
271.16891	2.9
273.18536	10.4
275.20074	98.1
276.20490	2.5
289.17886	6.1
291.19516	24.2
293.21118	55.1
306.75574	2.0
309.20419	3.4
331.22668	4.4
333.24219	25.5
335.25272	2.5
347.22171	6.8
349.23743	100.0
351.25259	2.3
363.21677	3.1
365.23068	11.2
367.24799	92.9
381.22827	2.4
383.24280	9.6
389.18369	2.4
513.35767	6.6
515.37439	2.7
519.32935	4.6
527.37317	2.8
529.35254	3.8
531.37885	3.0
542.36951	1.8
543.36914	10.9
549.39075	5.0
605.42072	6.0
623.43060	57.4
624.43323	3.4
637.40820	3.2
641.44177	87.4
642.44934	3.1
655.42047	4.7
659.45221	56.3
687.40820	2.4
884.55389	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	884.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	4.4
67.05510	63.6
68.05831	2.0
69.03426	11.1
69.07076	40.4
71.05003	12.5
71.08611	2.0
71.09355	1.6
71.52671	2.1
72.69766	1.5
73.02925	2.1
79.05497	62.1
81.03423	19.6
81.07059	100.0
82.07394	2.0
83.04980	18.8
83.08147	2.5
83.08624	28.3
85.02911	6.3
85.06538	5.6
86.09714	5.2
91.03958	2.4
91.05486	55.8
93.07047	59.8
95.04977	38.7
95.08610	39.8
97.02890	6.8
97.06539	15.7
97.10172	22.9
97.55679	1.6
99.04454	4.5
99.08070	3.5
105.04513	2.9
105.07030	44.5
107.04967	26.4
107.08600	38.2
109.02859	5.4
109.06527	21.5
109.10149	21.0
111.04449	13.2
111.08086	12.6
113.09634	2.8
115.05446	3.5
117.07025	25.1
119.04891	2.5
119.08591	39.1
121.06526	18.7
121.10139	18.8
121.10951	2.6
122.07334	1.7
123.04419	4.8
123.08085	20.2
123.11709	4.3
124.99998	2.0
125.06068	2.2
125.09621	21.2
128.06259	3.7
129.07025	15.3
131.04898	2.5
131.08583	28.8
133.06520	9.3
133.10135	31.8
135.08072	19.0
135.11694	13.3
137.06020	2.7
137.09618	8.8
141.06941	2.9
143.08575	15.6
145.06490	7.0
145.10130	24.8
147.08041	15.9
147.11678	13.6
149.09625	13.5
149.13284	4.0
151.11169	6.6
153.09117	6.2
153.12767	4.0
155.08591	5.4
157.10120	10.9
159.08073	9.2
159.11665	12.0
161.09628	18.8
161.13229	6.5
163.07536	3.2
163.11189	27.2
165.09114	3.9
165.12744	3.2
169.10144	6.3
171.08028	3.7
171.10323	2.0
171.11703	9.2
173.09604	5.9
173.13286	5.3
175.11177	8.4
177.09116	2.7
177.12784	4.3
179.10721	3.8
181.10139	2.6
181.12219	6.1
183.11719	3.0
184.07365	13.8
185.09637	4.2
185.13237	3.7
187.11153	2.4
187.14833	3.5
189.09134	3.9
189.11221	15.4
189.12804	5.2
191.10675	5.3
191.14352	2.1
193.12268	7.7
195.11725	2.2
196.99605	1.9
197.13115	2.4
199.11172	3.8
203.44592	2.0
206.04460	2.2
207.13785	2.3
213.12798	2.6
223.13252	4.8
227.12759	15.3
231.17517	2.9
239.18054	2.9
245.19025	6.8
249.14888	3.2
253.14330	6.9
255.17590	2.6
257.19049	5.7
261.18576	4.4
267.15732	3.3
269.17496	7.6
271.16919	7.1
273.18518	42.7
275.20071	29.9
283.15372	2.6
289.17950	20.4
291.19589	33.7
293.21008	4.6
307.19040	3.8
309.20734	9.1
329.21045	4.2
345.20715	3.4
347.22122	33.8
349.23737	25.8
363.21640	15.3
365.23401	19.8
367.24768	9.3
381.22614	32.2
381.26694	4.0
383.24362	20.6
395.24338	3.1
465.30054	2.2
483.31161	3.4
524.65991	2.1
527.33978	3.6
539.33392	5.2
545.36810	2.4
557.34833	22.2
561.33984	8.9
563.37012	3.1
575.35822	44.1
575.44177	1.5
581.38251	2.7
619.39227	7.8
637.30444	2.6
637.41003	53.5
641.43152	2.9
655.42035	82.1
656.41998	2.1
669.44971	2.6
673.43378	11.5
687.44910	13.6
763.43964	2.8
846.49506	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	884.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.9
65.85891	0.3
66.04698	0.3
66.32964	0.3
67.05508	22.1
67.05833	1.1
68.96539	0.4
69.03436	3.7
69.07072	25.8
69.07414	1.3
69.41738	0.3
70.06596	1.9
70.06883	0.5
71.01306	0.5
71.04997	2.2
71.08613	0.3
71.52872	0.3
73.02869	0.8
75.96761	0.3
77.03893	0.5
79.05495	26.4
81.03418	9.8
81.07058	38.5
81.07743	1.2
81.43941	0.3
83.01299	0.5
83.04983	7.8
83.08620	12.5
84.04465	0.4
85.02908	3.1
85.06544	1.8
86.09703	1.7
91.05484	24.1
93.07047	22.4
94.07338	0.3
95.04972	9.9
95.08607	9.9
96.04465	0.4
97.02905	3.6
97.06541	7.0
97.10173	14.2
99.00819	3.9
99.04471	1.6
99.08073	1.6
103.05424	1.1
103.65651	0.3
105.04478	0.8
105.07037	16.2
107.04963	10.5
107.08599	19.9
108.94975	0.3
109.02887	7.5
109.06522	7.5
109.10162	7.8
111.04443	5.9
111.08069	4.6
113.02345	0.4
113.05974	0.8
114.39171	0.3
115.03875	0.9
115.05473	1.7
117.07025	10.5
119.04883	1.3
119.08585	16.6
121.02832	1.3
121.06508	8.4
121.10145	5.1
123.04430	4.4
123.07325	0.3
123.08067	3.1
123.11691	1.9
125.02322	0.5
125.05937	0.5
125.09636	12.7
127.03881	0.8
128.06227	1.6
129.06987	4.5
130.07774	0.5
131.08572	8.4
133.06483	3.0
133.10139	15.9
135.04416	1.8
135.08057	20.4
135.11688	3.9
136.07526	0.5
137.05994	1.6
137.08679	0.4
137.09616	5.5
139.07533	1.8
141.06937	1.4
141.10231	0.3
142.07761	0.7
143.08563	5.7
145.06502	5.7
145.10123	7.2
145.20621	0.3
147.04314	0.4
147.08046	5.5
147.11687	3.2
149.05931	1.3
149.09618	3.5
149.13148	0.4
151.07512	0.9
151.11163	3.8
153.07031	0.5
153.09099	4.7
153.12764	3.2
155.06027	0.5
155.08537	2.0
157.06374	0.6
157.10133	2.9
159.06863	0.4
159.08064	6.3
159.11691	2.8
161.05893	0.4
161.08342	0.6
161.09625	10.0
161.13242	0.5
163.07550	10.8
163.11172	5.0
165.06999	0.4
165.09128	1.5
165.12767	0.4
167.10585	0.4
169.10054	2.0
171.08034	2.0
171.10341	1.5
171.11647	1.1
173.09639	3.7
173.11781	0.4
173.13181	0.8
175.07585	0.4
175.11153	2.1
177.09056	1.6
177.12646	0.7
179.10681	4.0
181.08574	0.7
181.10065	0.4
181.12247	2.2
183.11676	1.1
184.07324	0.7
185.09583	0.8
187.07477	0.3
187.11165	1.4
187.14738	0.4
188.08360	0.3
189.09045	2.0
189.11165	5.0
189.12712	0.5
191.10672	4.0
191.14406	0.4
193.12247	26.2
194.10788	0.3
197.09596	0.5
197.13251	0.8
199.11176	0.4
201.12679	1.1
201.16420	0.6
203.10704	0.4
205.12186	0.9
207.10081	0.4
207.13782	0.4
209.11668	0.8
211.11232	0.7
211.13284	1.3
215.10762	0.3
215.18024	0.5
217.12151	0.4
219.13770	0.9
221.11690	1.1
221.66527	0.3
223.13194	0.6
225.11186	0.7
225.16328	0.7
227.12730	6.0
233.15440	0.4
233.18991	0.4
235.13133	0.6
237.11264	0.5
239.12741	1.0
243.17485	3.2
245.19083	0.5
247.16846	0.4
249.14877	0.4
253.15950	0.8
261.18524	4.4
267.15948	0.9
271.16962	7.3
273.18414	1.0
275.20258	0.3
279.19516	0.6
283.15417	1.6
289.17984	27.9
290.18286	0.5
291.19470	1.4
295.34235	0.4
307.19040	7.7
345.20581	1.0
363.21643	12.1
364.21762	0.4
365.23196	0.6
379.21170	1.3
381.22717	100.0
382.23056	2.0
397.92474	0.3
459.27271	0.4
477.28543	1.5
533.31226	1.2
540.66016	0.4
551.32025	1.0
555.32721	0.5
571.32758	1.0
573.34229	1.9
589.33643	1.2
595.36237	2.1
613.37189	0.6
633.37775	0.4
641.41699	0.4
651.38849	2.3
656.29602	0.4
669.39948	16.6
670.40594	0.4
675.08972	0.3
687.41003	63.9
688.41107	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	877.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.4
67.05513	4.8
69.03433	2.6
69.03721	0.2
69.07075	2.7
70.06597	1.4
71.05007	1.3
71.52546	0.5
73.02927	3.0
79.05493	4.7
81.03434	1.7
81.07065	5.1
81.07523	0.4
83.04993	1.0
83.08633	1.4
84.04529	0.3
85.02908	3.8
85.06570	0.3
86.09719	3.0
91.03971	2.3
91.05489	4.6
93.07055	5.4
95.04955	1.7
95.08614	2.5
97.02891	2.9
97.06582	0.9
97.10195	0.8
99.04469	0.7
99.08146	0.3
101.02408	1.4
105.07050	4.0
107.04984	0.6
107.08603	2.6
109.02901	0.7
109.06560	0.8
109.10200	1.2
111.08102	0.3
115.03970	0.3
115.05502	0.3
117.07051	1.7
118.79633	0.3
119.08589	3.1
121.10139	1.7
124.99250	0.3
125.00008	1.5
125.09669	0.7
127.03954	1.2
129.07095	0.6
131.08588	2.3
133.10152	2.3
135.08084	0.4
135.11758	1.2
141.10336	0.4
143.08591	0.7
145.10118	1.7
147.11687	1.6
149.09715	0.9
149.13338	0.8
155.08588	0.3
157.10210	0.5
159.11768	1.4
161.13297	0.6
163.11269	0.7
169.10069	0.3
171.11700	0.5
173.13351	0.7
177.12834	0.4
184.07372	6.7
185.04341	0.9
185.07784	0.2
185.13417	0.4
201.04097	0.3
203.05347	0.4
223.13390	0.4
224.03693	0.3
243.08449	3.1
257.19186	0.6
259.20801	0.8
275.20087	1.5
301.09183	1.4
315.10742	0.6
317.20917	0.5
331.22910	0.3
349.24097	1.1
357.15152	0.3
365.23013	4.3
365.27216	0.3
367.24612	0.4
371.16956	0.4
373.23752	0.5
397.18570	0.4
405.26276	0.3
413.17743	0.3
421.25769	0.7
463.26920	0.3
465.21182	0.7
469.20834	0.5
485.23932	0.6
513.23389	0.3
528.11554	0.3
535.28815	7.0
541.22888	0.5
543.24786	0.4
551.28113	0.4
553.30029	0.6
583.30951	5.4
611.30676	0.3
655.33588	1.1
667.33746	0.8
679.42212	0.6
749.41626	0.4
775.43512	0.3
779.42700	0.4
859.49707	0.4
877.52869	100.0
878.53040	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	876.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.9
65.03927	6.2
67.05505	66.7
68.05827	2.8
68.66366	3.4
69.03427	6.3
69.07069	38.9
70.06604	4.0
71.04990	5.5
71.07372	2.3
71.52390	2.5
73.02901	3.9
79.05496	69.2
80.90729	2.5
81.03418	8.1
81.07055	77.4
83.04987	7.8
83.08614	17.1
85.02898	7.6
85.06571	3.0
86.09703	31.9
91.05479	70.3
91.06026	4.6
91.44868	2.6
92.05798	3.7
93.07046	64.8
95.04965	11.1
95.08607	43.1
97.02887	2.9
97.06533	16.6
97.10158	4.7
98.98450	4.4
99.08105	3.7
103.05470	3.1
104.10727	4.1
105.07029	73.4
105.07695	5.0
107.04948	9.3
107.08583	41.1
109.06516	7.1
109.10168	26.3
111.08080	3.2
117.07027	27.1
119.08580	54.5
121.06480	5.0
121.10130	24.5
123.08058	6.7
123.11684	4.7
125.00019	20.4
125.09639	5.9
128.06192	4.4
129.06969	14.6
131.08565	38.3
133.10146	40.3
135.08089	3.4
135.11705	15.8
137.09616	6.1
141.07068	3.9
142.07831	4.0
143.08530	13.2
145.10135	32.3
147.07945	3.0
147.11679	24.8
149.09627	13.2
149.13257	9.3
155.08566	11.4
157.10129	14.9
159.08138	3.2
159.11699	26.6
161.13261	14.4
163.11198	9.2
165.12720	4.4
166.07892	3.1
167.08586	5.4
169.10117	10.8
171.11696	11.2
173.11844	5.0
173.13281	14.2
175.11159	4.9
175.14813	6.1
177.12733	3.0
179.14380	3.0
181.09962	2.9
183.11740	10.7
184.07346	100.0
184.12050	3.5
185.07738	2.5
185.13245	10.1
187.11186	3.1
187.14775	3.5
195.11751	6.1
197.13269	9.9
199.14891	7.2
209.13211	6.5
211.14801	4.1
213.12802	3.2
213.16339	4.2
225.16444	3.0
227.12920	3.5
227.20041	20.0
228.20421	6.6
229.14316	6.3
237.16399	3.3
241.19525	8.3
249.16383	3.2
257.19070	8.2
259.20575	20.6
273.18628	3.0
275.20081	31.3
276.20499	3.6
287.14157	7.6
304.65048	3.1
333.24225	27.0
335.25754	7.8
348.39456	2.6
349.23651	25.3
350.24167	5.9
351.25348	3.3
385.21350	11.6
503.33676	3.5
513.36072	14.3
515.38104	6.7
517.38629	11.2
527.37378	13.5
533.39435	7.0
563.34198	12.6
589.42230	4.3
607.43518	63.9
623.42712	18.0
625.44598	44.9
636.72015	2.7
642.42688	3.0
643.40924	11.8
661.41925	23.5
664.91077	2.7
758.79553	2.7
780.01453	2.8
830.42487	6.0
876.48010	44.8
877.51508	11.1
877.67432	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	876.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.4
65.03953	7.2
67.05508	77.3
69.03429	4.7
69.07074	30.4
71.04997	6.8
73.02905	2.8
74.97869	1.3
75.00050	2.1
77.03938	1.8
79.05499	85.4
81.03410	6.1
81.07062	100.0
83.04962	7.4
83.08618	16.3
85.02927	7.6
85.06541	4.3
86.09702	10.9
89.01586	1.9
91.05486	99.9
93.07049	82.2
95.04971	13.8
95.08614	58.6
97.02880	3.9
97.06543	11.1
97.10194	6.9
98.21499	5.0
99.04402	1.8
99.08108	2.4
100.22634	1.2
103.05451	2.7
105.04510	3.7
105.07038	98.2
107.04971	5.4
107.08606	44.9
109.06514	10.4
109.10158	26.4
111.08054	4.8
113.09685	1.4
115.05442	4.3
117.01067	1.3
117.06242	2.3
117.07029	39.5
119.08590	78.9
120.08887	2.3
121.06509	5.3
121.10153	32.5
123.08066	7.9
123.11716	5.5
125.00038	8.3
125.09635	4.5
127.07570	1.7
128.06224	5.1
129.05510	2.6
129.07016	23.4
130.07765	4.0
131.02545	1.4
131.08575	53.0
131.68802	1.4
133.06476	2.3
133.10141	66.7
135.08055	5.8
135.11690	20.2
137.09624	6.1
139.11214	2.0
141.07010	6.3
142.07791	3.0
143.08572	26.2
144.09355	2.1
145.10130	47.4
147.08055	4.3
147.11705	42.4
149.09641	7.6
149.13254	9.7
151.11182	5.1
154.07829	1.9
155.08566	11.3
156.09319	2.1
157.10147	23.8
159.11690	28.8
161.09644	3.1
161.13261	21.5
163.11185	7.3
163.14838	4.0
165.06944	1.3
165.12732	2.9
167.08588	5.3
168.09354	2.3
169.10123	14.1
171.11699	25.2
173.09621	2.5
173.13251	18.6
175.11258	3.4
175.14865	10.0
177.12752	2.6
179.08549	1.7
181.10089	7.6
183.11707	13.1
184.07353	28.7
185.13248	13.5
187.11197	1.9
187.14801	7.5
189.12721	2.8
189.16370	2.7
193.10178	2.8
195.11742	9.3
195.13373	1.9
197.13254	10.8
199.14879	7.0
201.16304	1.8
207.11703	3.6
209.13274	7.5
211.14836	6.3
213.16382	5.6
215.14333	2.0
215.17981	2.9
221.13263	5.1
223.14857	4.5
225.16382	3.3
229.19492	4.5
231.21037	5.2
235.14836	3.7
237.16438	4.1
239.17929	8.5
241.19525	20.1
243.21274	1.8
247.20564	2.2
249.16479	1.6
251.18085	2.6
255.17514	1.5
257.19016	10.9
259.20575	56.9
261.22250	2.7
263.17960	1.8
265.19409	1.9
275.20084	34.9
287.14044	2.9
291.19858	1.8
295.20477	2.5
297.21988	2.0
311.17685	3.9
315.23203	6.1
331.22678	3.5
333.24271	66.7
335.25848	2.0
339.23190	1.6
346.91260	1.6
349.23862	6.9
351.25522	4.1
385.21454	40.9
385.26361	1.5
387.22897	1.6
403.20636	2.1
423.32687	2.9
441.09518	1.5
445.31024	1.8
485.32343	3.1
497.36444	2.7
501.35690	2.8
513.35864	4.6
515.37555	26.3
525.35358	1.7
527.36969	3.1
533.39313	4.9
537.35645	2.2
538.36389	2.1
552.27698	1.7
563.34650	3.1
565.30371	1.7
589.42426	5.7
607.43579	83.0
608.43933	2.6
623.42932	2.5
625.44507	10.6
643.41205	30.0
647.37769	1.6
661.42029	21.4
679.42572	2.1
769.48175	3.9
876.51599	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	876.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.5
63.46621	2.2
65.03951	6.5
67.05505	79.6
68.05842	2.4
69.03440	7.1
69.07071	33.9
70.06589	3.6
71.05011	4.3
71.07433	2.7
73.02944	2.9
79.05497	67.4
81.03439	7.5
81.07057	70.0
83.04997	5.3
83.08612	17.4
85.02921	5.4
85.06553	3.7
86.09707	29.6
91.03970	6.0
91.05486	76.8
91.06010	4.5
93.07049	70.4
93.07637	4.0
95.04977	14.8
95.08611	52.1
95.09164	4.0
97.02933	4.6
97.06557	9.6
97.10198	10.2
99.08102	3.8
101.01600	4.1
103.05509	3.6
104.10794	3.0
105.07030	72.2
106.07407	2.5
107.05009	6.1
107.08595	44.8
109.06540	5.4
109.10151	23.5
111.08100	6.2
115.05504	4.3
117.07027	38.3
117.07773	3.7
119.08586	56.8
119.09364	3.6
121.06588	3.5
121.10136	28.0
123.08101	4.3
123.11736	4.1
125.00007	14.7
125.09689	8.0
128.06248	5.0
129.07004	16.5
130.07816	2.9
131.08577	45.9
133.10141	46.7
135.08125	7.8
135.11681	21.9
139.11188	3.4
141.07050	5.1
143.08557	19.8
144.09459	3.2
145.10133	35.7
147.08067	3.2
147.11693	35.8
149.09708	10.4
149.13312	13.0
155.08638	10.8
156.09454	3.9
157.10123	19.5
157.19044	2.5
159.11710	30.7
161.09671	5.5
161.13240	23.7
163.11290	8.5
165.12819	3.2
167.08656	7.0
169.10204	10.4
171.11671	20.1
173.11897	5.3
173.13354	12.5
175.11229	2.8
175.14903	7.1
177.12895	4.9
181.10213	6.2
183.11726	11.6
184.07355	87.7
185.13217	13.8
187.11168	2.2
187.14972	3.3
195.11855	8.4
197.13330	7.2
199.14909	9.3
201.16451	2.6
207.11902	2.7
209.13425	6.0
211.14970	8.4
213.16629	3.9
221.13400	4.7
223.14989	5.8
229.14403	4.7
235.14908	3.3
237.16432	4.3
239.18073	4.2
241.19600	14.6
243.08644	3.3
257.19196	9.5
259.20596	41.5
273.18649	3.9
275.20062	19.7
287.14191	12.9
297.22214	3.2
313.72247	2.8
315.23376	5.7
333.24231	39.4
335.26282	3.1
349.23770	14.3
351.25940	2.5
385.21402	12.3
397.26401	2.6
401.20840	3.2
459.32544	2.8
483.44995	2.7
495.35071	4.3
509.36975	4.1
513.35614	17.1
515.37805	12.4
527.37238	20.1
533.40204	8.5
563.34894	17.7
581.30084	3.5
607.43640	84.3
607.53387	4.8
608.43848	2.9
625.44702	50.5
643.41370	11.2
661.42590	22.5
769.47198	3.1
818.15082	2.8
874.59711	2.6
876.51392	100.0
877.50818	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	876.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	3.8
62.15721	1.6
62.79868	2.2
65.03940	7.9
67.05506	85.5
69.03426	4.4
69.07066	29.6
71.04995	8.3
71.52847	2.8
74.74248	1.9
75.00032	1.8
76.99739	2.7
77.03950	2.2
78.91502	2.1
79.05495	85.4
81.03429	5.7
81.07057	100.0
82.07412	2.4
83.04987	7.6
83.08623	18.7
85.02908	5.1
85.06556	5.6
86.09699	14.8
91.03962	2.4
91.05482	99.8
93.07047	84.7
95.04984	15.8
95.08609	58.2
97.02885	3.9
97.06525	9.8
97.10152	9.5
99.04507	2.3
99.08118	4.1
103.05486	3.6
105.04585	1.8
105.07032	87.2
106.07396	2.3
107.04987	7.9
107.08594	54.6
107.09303	3.7
109.06536	7.3
109.10152	21.8
109.10729	1.8
111.08086	6.5
115.05482	4.2
117.07024	37.1
119.08581	74.5
121.06550	6.8
121.10149	34.4
121.10926	2.5
123.08084	8.3
123.11734	7.0
125.00021	10.3
125.09669	3.6
128.06244	3.7
129.07010	21.3
130.07791	3.6
131.08569	52.5
133.06577	3.3
133.10132	71.5
135.08083	6.2
135.11696	22.6
135.20975	2.0
137.09650	5.0
139.11218	2.0
141.07040	7.6
142.07791	5.4
143.08562	19.5
145.06474	2.3
145.10123	42.2
145.11157	2.8
147.08072	5.2
147.11688	40.1
147.12794	2.5
149.09630	9.5
149.13257	13.3
151.11166	2.1
155.08604	7.6
156.09323	2.8
157.10144	23.2
159.11687	29.9
159.12851	2.3
161.09726	3.3
161.13252	22.6
163.11241	7.7
163.14821	3.0
165.12840	2.0
167.08629	5.3
169.10089	11.5
171.11714	19.8
173.09592	1.9
173.13263	18.8
175.11241	4.4
175.14806	8.6
177.12817	2.1
179.08667	2.3
181.10201	8.1
183.11691	12.5
184.07352	48.7
185.13226	15.1
187.14888	6.3
189.12796	3.0
193.10217	3.6
195.11806	8.2
197.13313	8.7
199.13310	2.2
199.14798	10.1
207.11867	4.2
207.56955	1.7
209.13297	7.0
209.95387	1.8
211.14941	7.4
213.16508	5.8
215.14455	2.2
215.17967	2.5
221.13350	3.1
223.14958	4.7
225.16396	2.3
229.19591	3.1
231.17665	1.9
231.21263	1.8
235.14893	3.6
237.16589	1.9
239.18100	5.5
241.19568	18.1
243.21352	2.2
247.20660	2.3
255.17592	2.2
257.19009	13.0
259.20587	54.9
260.21115	2.1
261.22336	3.5
273.18683	4.4
275.20065	36.4
275.22742	2.9
277.21774	3.9
283.20557	2.2
287.14282	2.9
311.17737	4.8
315.23279	5.5
331.23105	2.5
333.24252	73.7
335.25943	3.3
349.23788	11.7
351.25555	3.9
367.25067	2.5
383.19785	2.2
385.21417	39.5
387.23129	5.0
403.20795	5.6
417.31314	2.1
441.26941	2.1
445.31250	2.4
457.50735	1.8
485.32758	2.7
487.34439	2.4
499.34125	2.3
512.35968	2.2
513.35944	4.1
515.37549	29.1
527.37537	6.0
533.40131	4.7
537.36145	2.3
551.41266	2.3
563.34857	3.6
566.20917	2.0
586.23456	2.1
589.42694	3.5
607.43573	93.7
623.43439	2.1
625.44849	15.4
626.73804	1.8
643.41113	34.2
661.42151	27.7
679.43579	7.9
769.48291	4.1
876.51532	59.7
877.51776	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	875.4767
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02930	3.3
65.03941	0.7
66.18642	0.3
67.05508	12.5
68.05834	0.8
69.03437	2.7
69.07073	6.1
69.79856	0.3
70.06597	2.2
70.07395	0.7
70.56870	0.9
70.69622	0.3
71.01332	0.5
71.05003	1.4
72.08171	0.5
73.02927	2.7
78.81738	0.3
79.05495	10.2
80.05835	0.9
81.03416	2.6
81.07059	12.3
82.07408	1.3
82.45229	0.3
83.04981	2.4
83.08624	4.0
84.08949	0.4
85.02908	3.7
85.06561	0.9
86.09707	4.4
86.28162	0.4
87.00442	0.3
91.03976	1.9
91.05483	9.5
91.06023	0.6
92.05803	0.7
93.07047	9.9
94.07401	1.0
95.04962	3.4
95.08609	6.8
96.08964	0.5
97.02900	2.8
97.06525	2.1
97.10173	2.6
99.04472	1.3
99.08115	0.7
101.02396	0.8
103.04006	0.4
103.05463	0.4
105.04549	0.4
105.07041	6.9
106.07374	1.0
107.04974	1.9
107.08590	7.5
108.05275	0.4
108.08964	0.6
109.02888	1.1
109.06518	2.0
109.10168	4.1
110.10494	0.6
111.04439	1.6
111.08102	1.3
113.06059	0.3
113.09659	0.3
115.05495	0.7
117.07007	3.0
117.27431	0.3
119.08592	6.0
120.08932	1.1
121.06537	1.3
121.10149	3.5
122.10504	0.3
123.04498	0.4
123.08114	1.1
123.11720	0.8
125.00038	0.9
125.09613	2.0
127.03941	1.1
127.07670	0.3
128.06203	0.5
129.05507	0.7
129.07034	1.3
131.08574	4.2
132.08955	0.9
133.10146	4.7
134.10489	1.1
135.08052	1.6
135.11685	2.0
136.12105	0.4
137.09641	1.1
139.11304	0.5
141.07091	0.6
141.10211	0.4
143.08591	1.5
145.05003	0.3
145.10123	3.7
146.10461	0.8
147.08095	0.9
147.11688	2.6
148.08395	0.3
148.12062	0.4
149.09634	2.8
149.13278	1.7
150.10023	0.5
150.13635	0.5
151.11215	0.7
153.12781	0.3
155.08578	0.9
155.10709	0.3
157.10092	1.9
158.77356	0.3
159.11685	2.2
160.12051	0.7
161.09645	0.9
161.13326	0.9
163.07619	0.3
163.11179	2.3
164.11638	0.6
165.12836	0.7
169.10085	1.1
171.10349	0.6
171.11722	1.6
172.12068	0.3
173.09627	0.4
173.11909	0.7
173.13319	1.1
174.13680	0.3
175.14876	0.3
177.12839	0.8
178.27608	0.3
179.10771	0.4
181.10150	0.4
181.12311	0.5
183.11716	1.3
184.07347	6.1
185.04341	0.6
185.07730	0.9
185.13350	0.8
187.14922	0.4
188.15193	0.4
189.11302	1.1
189.12831	0.4
193.12309	0.9
195.11723	0.3
195.13860	0.4
197.13219	1.1
199.14886	0.7
201.16451	0.4
205.12097	0.3
207.13876	0.4
209.13370	0.4
223.13341	0.9
227.12845	1.3
228.13113	0.4
229.14423	1.2
239.18033	0.8
241.07124	0.4
241.19591	0.6
242.19862	0.4
243.08406	4.5
257.19098	1.2
259.20517	1.7
260.20950	0.9
267.16034	0.4
269.17468	2.3
270.17969	1.1
273.18658	0.4
274.18930	0.4
275.20145	4.3
276.20523	1.4
289.18097	0.4
291.19626	1.3
293.21170	0.9
301.08911	0.4
315.10321	0.5
315.22842	0.4
333.20490	1.4
333.24420	1.4
334.24570	0.5
335.25861	0.6
347.18307	0.8
347.22360	0.4
349.23880	1.9
350.24194	1.0
365.23749	0.4
367.24777	0.8
368.25479	0.6
369.15283	0.7
371.16873	0.5
389.23138	0.7
403.20966	0.5
423.27454	0.4
424.28076	0.6
439.19778	0.7
463.30933	0.7
464.31085	0.7
467.19019	0.5
503.39795	0.4
506.35861	0.4
513.35693	0.4
514.36115	1.1
527.38257	0.4
528.38208	1.0
543.27753	0.4
543.36700	0.8
544.37518	1.3
551.28308	9.2
565.26099	3.9
608.44128	0.9
623.30573	0.6
623.42999	0.5
624.43201	0.6
626.45239	0.8
641.43408	0.6
642.44794	0.7
660.45374	0.5
678.45056	0.5
679.36475	0.7
777.40240	0.4
829.43359	0.8
866.92310	0.4
875.47583	100.0
876.47345	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	874.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.4
67.05509	100.0
69.03426	8.7
69.06728	2.7
69.07070	33.3
70.06597	8.6
70.13342	6.9
71.05009	8.9
73.02919	2.6
79.05498	79.7
81.03429	8.1
81.07063	80.2
83.04988	12.2
83.08626	36.2
84.08157	1.9
85.02894	4.1
85.06543	7.1
86.09713	17.3
91.05488	58.3
93.07055	62.7
95.04974	11.4
95.08611	37.6
96.08899	1.7
97.02879	4.0
97.06529	14.5
97.10181	54.3
99.08114	2.0
103.05505	2.1
105.07041	56.6
107.04964	13.9
107.08605	93.2
109.02852	1.7
109.06503	11.2
109.10164	55.0
111.08057	7.6
117.07032	19.0
119.06025	2.0
119.08590	36.2
120.08116	3.3
121.06519	5.1
121.10168	23.7
123.08075	7.8
123.11718	8.2
124.99982	6.1
125.09646	47.6
127.03944	4.1
129.07024	9.1
131.08582	27.9
133.06580	1.9
133.10146	37.1
135.08060	7.3
135.11725	13.8
136.07582	2.4
137.09587	5.4
141.07030	3.4
142.07716	2.0
143.08565	9.5
145.09073	2.1
145.10146	31.9
147.08022	4.2
147.11697	17.3
149.09666	18.8
149.13289	9.1
153.09067	5.9
153.12671	1.8
155.08559	4.4
155.10597	2.5
157.10135	6.6
159.11723	18.3
161.09660	2.7
161.13300	9.4
163.11183	11.8
165.09122	3.1
165.12770	2.3
169.09993	5.8
171.10246	2.4
171.11708	7.3
173.11761	10.0
173.13268	11.0
175.11189	2.6
175.14682	2.5
177.12698	4.1
179.14235	2.8
181.12309	2.6
183.11671	6.3
184.07335	23.3
185.13231	5.5
187.11150	2.7
187.14848	3.0
189.11226	25.1
189.12743	4.0
195.11848	1.9
195.13849	4.5
197.13194	4.9
199.14870	3.0
201.16344	2.7
205.12140	2.0
211.14804	2.3
227.10526	3.8
227.12791	77.3
229.14362	36.5
229.19426	5.3
239.17914	5.6
239.52216	2.2
243.15768	2.5
245.13763	4.7
247.20790	2.3
257.18985	19.6
269.17447	22.7
275.20093	86.3
276.20401	2.6
281.17609	2.8
291.19565	2.5
293.21082	7.2
309.20602	2.0
331.22699	12.5
349.23767	87.7
350.23923	2.5
367.24872	16.2
397.22263	2.8
399.23578	10.2
433.30966	1.8
435.27957	2.1
439.27048	6.1
449.28851	2.8
463.30453	2.1
484.39966	2.0
485.32639	6.8
501.32419	2.1
503.33722	66.3
519.33417	13.7
521.35126	10.5
525.35748	13.7
529.35443	3.5
531.38147	3.0
537.34314	3.6
543.36853	97.6
561.37976	11.2
565.38385	2.4
583.31232	2.6
583.39819	4.9
605.42010	3.8
623.43079	63.0
641.44049	40.9
659.45264	3.6
687.41052	4.5
767.67511	2.3
779.06793	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02871	1.1
65.03934	4.5
67.05510	94.6
69.03420	5.1
69.07074	38.1
70.06603	8.1
70.69273	2.6
71.04993	9.3
72.08175	1.5
72.61554	1.9
73.06543	1.5
77.03952	1.3
79.05499	60.7
81.03416	8.1
81.07063	84.9
83.04985	16.0
83.08625	47.4
85.02908	7.4
85.06549	6.8
85.51776	1.4
86.09708	11.9
91.05489	53.3
93.07052	66.7
95.01335	1.5
95.04972	69.9
95.08614	42.1
97.02867	2.3
97.06535	17.2
97.10181	18.1
99.04465	6.0
99.08109	4.4
99.31295	1.6
103.05466	1.4
105.04487	1.8
105.07038	49.3
107.04967	19.2
107.08604	60.5
109.06522	14.1
109.10164	49.5
111.04457	14.1
111.08063	12.0
115.05468	1.6
117.07017	19.7
119.06116	1.5
119.08588	41.9
121.06503	9.9
121.10147	30.2
123.08059	9.3
123.11735	6.7
124.99961	2.5
125.06032	1.6
125.09633	16.8
127.07518	2.0
129.05533	1.7
129.07037	6.4
130.07779	1.5
131.08585	32.1
133.06505	2.9
133.10144	35.4
135.08081	9.6
135.11688	18.8
137.09628	6.7
139.11211	3.1
141.06990	2.1
143.08572	6.1
145.09055	2.5
145.10132	32.5
147.08070	6.8
147.11703	17.4
149.09634	33.7
149.13290	10.7
151.11203	4.1
155.08546	5.7
155.10680	4.6
156.09323	1.5
157.10114	8.6
159.08028	2.2
159.09232	2.0
159.11707	20.1
161.09586	3.9
161.13310	7.5
163.11195	38.3
163.14757	1.4
165.12720	3.7
169.10034	4.5
171.10286	1.4
171.11684	5.9
173.09650	3.9
173.11731	7.7
173.13261	7.1
175.11186	4.3
175.14859	1.9
177.12735	8.1
179.14276	2.6
181.12276	1.9
183.11687	3.7
184.07359	12.5
185.13234	4.2
187.11197	4.1
187.13261	1.8
187.14865	2.3
189.11224	9.1
189.12675	1.9
191.10684	1.8
191.14365	1.6
193.12251	2.6
195.13808	4.4
197.13226	4.2
199.14890	2.2
201.12691	1.8
205.12268	6.2
207.13817	2.2
211.13275	3.0
213.16434	1.8
215.18121	1.4
217.15875	1.4
223.13310	33.8
227.12788	9.7
229.12106	2.9
229.14351	46.4
229.19342	6.4
239.18015	6.3
247.20457	2.0
251.16597	2.5
255.15906	1.7
257.19073	14.4
269.17499	48.7
273.18573	1.7
275.20087	100.0
276.20538	1.7
291.19711	3.3
293.17819	2.4
293.21112	45.2
309.20520	2.1
311.22198	1.3
331.22684	5.1
349.23755	77.1
350.23999	1.3
356.67996	1.4
367.24820	91.5
368.25308	2.0
423.27429	3.2
449.28967	2.2
463.30215	6.0
485.33173	1.7
503.33832	18.4
521.34766	58.4
522.34418	2.0
525.35754	2.8
537.34100	1.6
539.35474	1.9
543.36798	34.8
561.37915	89.1
562.38403	2.3
565.38647	1.9
567.31366	1.8
583.39423	2.3
599.24054	1.4
601.40558	4.9
623.43134	27.3
641.44165	52.5
650.79773	1.3
659.45154	27.5
665.38776	2.4
687.40692	1.9
705.41870	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	874.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.5
65.03940	6.0
67.05506	100.0
69.03446	6.9
69.07071	39.0
70.06605	6.2
70.07395	1.2
70.73731	2.2
71.05003	6.0
71.07394	1.1
71.08627	0.9
72.08144	1.2
73.02916	1.6
77.03910	1.7
79.05496	64.1
80.05826	1.4
80.88874	0.9
81.03430	10.2
81.07059	88.4
82.07394	2.4
83.04981	10.9
83.08619	19.4
85.02892	5.6
85.06544	5.2
86.09707	17.6
89.18465	0.9
91.03956	1.6
91.05482	65.7
92.05828	1.8
93.07045	69.4
94.07363	1.1
95.04968	18.0
95.08608	46.0
96.08943	1.4
97.02921	5.5
97.06528	15.7
97.10168	10.3
98.98468	1.5
99.04426	1.9
99.08101	3.9
101.46033	1.0
103.03913	1.2
103.05452	2.9
104.10786	1.2
105.04548	1.1
105.07036	63.9
106.07349	1.5
107.04959	10.6
107.08599	42.5
108.08914	1.4
109.02895	1.7
109.06501	9.9
109.10159	40.2
110.10444	1.2
111.04459	3.1
111.08077	7.2
113.06038	1.2
113.09657	1.3
115.05473	2.5
116.06260	1.3
117.07025	24.0
119.08585	45.1
120.08912	1.2
121.06516	6.8
121.10146	26.3
122.10465	1.0
123.08083	8.6
123.11716	6.9
124.99986	7.1
125.09649	10.0
127.03930	3.6
128.06239	4.2
129.05464	2.8
129.07014	15.8
130.07813	2.3
131.07587	2.1
131.08571	34.1
132.08916	0.9
133.06488	2.7
133.10136	37.6
134.10487	1.1
135.08066	6.2
135.11700	15.6
135.49121	1.0
136.07558	1.6
137.09642	7.1
139.11168	2.9
141.06966	4.9
141.10188	1.2
142.07814	2.5
143.08557	15.2
145.06494	2.0
145.10129	30.2
147.08020	4.7
147.11694	26.9
149.09616	13.7
149.13280	11.0
150.09991	1.2
151.11230	4.7
153.09134	1.6
153.12689	1.3
155.08554	8.1
155.10609	2.1
156.09337	0.9
157.10129	14.9
158.10884	1.1
159.08046	2.8
159.11690	22.8
159.12883	1.7
161.09666	5.3
161.13251	11.9
163.11191	10.0
163.14871	2.4
165.09125	2.2
165.12794	2.7
167.08562	2.4
167.10698	1.1
169.10141	7.9
169.13365	1.2
171.08009	1.5
171.10265	1.9
171.11688	13.7
173.09567	1.8
173.10332	1.0
173.11740	9.0
173.13284	10.7
175.11197	3.1
175.14815	5.1
177.12724	5.7
179.08508	1.3
179.14345	2.8
181.10129	4.1
183.11728	8.1
184.07350	44.8
185.09645	1.1
185.13251	8.2
187.11130	2.7
187.14810	4.0
189.11230	6.1
189.12801	2.5
189.16417	1.2
191.14359	1.3
193.10184	1.6
193.12244	1.6
195.11707	3.6
195.13805	5.1
196.12592	0.9
197.13268	7.2
199.11163	2.5
199.13115	0.9
199.14876	5.1
201.12822	2.3
205.12239	1.4
207.11731	1.3
209.13370	2.8
211.14793	3.3
213.16429	2.2
215.14336	2.1
215.18011	1.7
217.15765	1.3
221.13293	1.2
223.13100	1.3
223.14995	1.9
225.16351	2.2
227.12756	9.8
227.17950	1.3
229.14297	22.5
229.19456	2.7
231.21039	2.0
235.14888	1.1
237.16364	2.0
239.18030	4.6
241.19577	7.1
245.19026	1.2
257.19067	10.5
259.15323	3.0
259.20572	24.9
261.22174	1.1
267.15860	1.7
269.17490	24.0
273.18527	5.3
274.18881	1.9
275.20081	36.3
276.20370	3.1
277.21780	1.4
291.19492	8.8
292.19794	1.7
293.21030	5.7
297.22162	1.0
301.21567	1.5
309.21063	1.0
315.23074	3.1
327.23547	1.2
331.22665	2.9
333.24231	20.9
337.21945	1.0
339.18256	1.0
339.22852	1.3
347.21906	2.2
349.17102	1.7
349.23773	20.5
350.24081	2.1
351.25037	2.8
365.23380	4.8
366.23846	1.1
367.24924	10.1
368.24896	1.4
371.25879	1.2
373.18713	0.9
377.28323	1.4
382.22971	1.1
383.24246	1.8
413.21356	1.3
421.31033	1.4
423.27325	8.9
429.29785	1.2
445.29623	1.4
446.22479	1.7
451.31720	1.6
453.33594	1.6
463.30536	6.5
487.34494	7.0
503.33447	5.1
504.34732	1.1
505.34995	3.8
509.36591	1.1
511.34186	1.0
513.35852	13.5
515.37695	1.4
521.34119	1.1
525.35919	2.2
527.37463	12.8
533.39941	1.4
537.34753	0.9
543.36755	12.5
545.38171	3.3
559.36102	4.1
561.37756	6.4
567.40308	1.3
577.37469	2.3
607.43518	10.6
623.42780	5.3
625.44586	11.7
641.44226	5.9
655.64429	0.9
659.44391	3.2
677.44824	2.0
856.52661	1.7
874.45526	1.7
875.47516	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	874.552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.3
65.03945	3.8
66.78784	0.9
66.85096	1.0
67.05508	100.0
68.05848	1.4
69.03429	7.1
69.07071	40.0
70.06590	4.2
71.05003	5.5
71.07343	1.4
71.08635	1.5
73.02911	1.2
74.70232	1.0
77.03944	1.1
79.05495	63.3
80.05833	1.5
80.06306	1.1
81.03417	9.7
81.07059	79.0
82.07365	2.0
83.04986	11.3
83.08620	19.4
83.09113	1.2
85.02901	4.7
85.06544	4.8
86.09718	18.5
91.05484	70.9
92.05813	1.6
93.07047	69.6
95.04972	15.3
95.08608	48.6
96.08986	0.9
97.02901	4.3
97.06532	17.2
97.10177	12.7
98.98455	1.2
99.04462	2.4
99.08123	4.9
103.05488	1.5
104.10734	2.6
105.04523	2.0
105.07037	62.9
107.04967	12.0
107.08601	46.4
108.08944	1.4
109.02901	3.5
109.06512	10.0
109.10162	40.7
111.04472	2.7
111.08086	5.7
113.09655	2.1
115.05454	3.5
116.06234	1.5
117.07030	26.6
119.08585	45.1
121.06539	6.6
121.10149	26.1
122.71239	1.0
123.08086	8.1
123.11716	6.6
125.00014	9.3
125.09634	8.9
127.03909	2.2
127.11224	1.0
128.06236	3.4
129.05492	4.1
129.07021	14.8
130.06607	1.1
130.07784	2.8
131.08571	34.8
133.06508	2.6
133.10136	40.3
135.08044	7.9
135.11699	16.9
137.09641	6.6
139.11162	2.4
141.06995	5.2
142.07806	2.9
143.08572	15.6
144.09328	1.3
145.06453	2.1
145.10127	31.0
146.10568	1.4
147.08067	4.8
147.11703	27.6
147.12820	2.0
149.09637	14.4
149.13278	12.8
151.11226	5.1
153.09093	1.9
154.07826	2.0
155.08562	7.3
155.10631	2.3
157.08766	1.5
157.10112	13.6
159.08063	2.3
159.11713	23.0
159.13037	1.2
161.09680	4.8
161.13274	13.4
163.11177	9.6
163.14876	1.6
165.12810	3.3
167.08565	3.0
168.09309	1.3
169.10069	10.0
171.10234	2.1
171.11649	12.8
173.09608	1.2
173.11748	7.9
173.13289	12.1
175.11218	3.9
175.14836	5.4
177.12782	5.6
179.08582	1.9
179.14311	1.6
181.10159	3.5
181.12325	1.3
183.11703	8.2
183.75702	1.1
184.07346	48.5
185.09700	1.1
185.11774	1.9
185.13239	9.6
187.11203	3.5
187.14812	3.7
189.11247	5.7
189.12787	2.5
191.14294	1.3
193.10252	1.4
193.12276	2.3
195.11707	4.3
195.13838	4.2
197.13211	7.3
199.14848	4.1
201.12810	2.5
201.16400	2.9
203.14314	1.2
205.10120	0.9
207.11665	1.9
207.13612	1.3
209.13237	3.5
211.14851	3.6
213.16493	2.0
215.14238	1.3
215.17992	1.1
221.13304	2.4
223.13005	1.4
223.14864	3.3
225.16371	1.9
226.53481	1.0
227.12717	12.2
227.17841	1.8
229.14339	21.1
229.19485	2.8
231.21065	1.8
235.14752	1.6
239.17987	3.8
241.19504	8.9
245.13712	1.5
245.19104	1.4
247.14676	1.4
247.20598	2.6
253.14369	1.7
257.19019	10.6
259.15402	2.0
259.20544	18.0
261.22141	1.4
267.15756	1.6
269.17471	22.1
273.18628	5.2
275.20068	34.1
276.20441	2.4
277.21664	1.5
283.20239	1.5
291.19461	4.7
293.21173	6.6
297.22217	2.4
301.21783	2.1
309.21698	1.3
313.21655	1.9
315.23151	2.4
331.22650	1.8
333.24268	18.8
339.23087	1.3
341.24860	1.2
347.22299	1.8
349.23779	23.4
351.25485	1.3
365.23328	3.5
366.23639	1.1
367.24835	9.5
383.24261	2.4
395.29675	1.3
421.30814	2.0
423.27347	7.5
433.30859	1.5
445.29648	1.5
449.28583	1.3
463.30731	8.7
485.33072	1.1
487.34329	6.5
499.34595	1.3
503.33652	5.3
505.35162	4.3
509.36179	1.6
513.35840	16.7
515.38092	2.7
517.35748	1.4
525.35638	2.4
527.37421	14.7
533.39905	1.2
541.35431	1.1
543.36682	12.1
545.38068	3.2
551.41217	1.5
551.69824	1.1
559.36298	2.0
561.37573	3.8
607.43585	13.5
623.42792	4.4
625.44788	14.5
641.43799	3.8
659.44592	1.7
856.52527	2.0
875.47821	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	874.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.9
61.80551	0.9
65.03933	6.7
67.05505	77.9
68.05835	1.0
69.03407	3.1
69.07069	31.6
70.09563	3.6
71.01349	1.1
71.04998	6.8
71.08607	1.0
73.02911	1.9
74.73577	0.9
75.00050	1.4
77.03906	2.6
79.05492	83.4
80.05829	1.0
81.03425	7.9
81.07056	100.0
81.58168	0.8
82.07372	1.0
83.04986	9.2
83.08616	17.5
85.02900	7.0
85.06545	4.1
86.09708	4.4
91.03953	2.1
91.05480	87.9
93.07043	94.9
94.07374	1.0
95.04964	15.0
95.08607	52.9
95.16680	0.9
97.02877	3.8
97.06534	10.4
97.10181	11.1
97.44838	0.8
99.04442	1.5
99.08095	3.5
103.05463	4.0
104.06219	1.7
105.04488	2.4
105.07031	79.8
107.04958	13.9
107.08592	57.1
109.06513	11.5
109.10157	23.7
111.04443	2.9
111.08062	5.3
113.09634	2.0
115.05437	5.3
116.06234	1.4
117.01009	1.2
117.07017	33.5
119.04984	0.9
119.08583	72.4
121.06511	9.6
121.10149	35.3
121.11024	1.7
123.08067	15.2
123.11724	5.0
124.99998	2.4
125.09628	6.6
127.03867	1.0
128.06244	4.7
129.05522	1.6
129.07002	19.4
130.07777	3.2
131.02608	1.3
131.08571	40.6
132.09352	1.0
133.00493	1.2
133.06485	5.2
133.10129	50.5
134.10396	1.0
135.08083	9.8
135.11691	37.9
136.71074	0.9
137.06071	0.9
137.09637	6.8
137.13194	1.0
139.11124	1.9
141.06972	5.8
142.07758	3.9
143.06088	1.0
143.08559	20.6
145.06479	2.4
145.10121	40.4
147.04356	0.9
147.08078	9.7
147.11688	38.8
149.09619	11.2
149.13257	12.8
151.11162	2.9
151.14828	1.1
153.06975	1.3
153.09158	1.2
153.12720	1.9
155.08580	5.8
157.10121	15.1
159.08052	3.6
159.11688	25.2
161.09651	7.7
161.12009	1.3
161.13264	23.9
161.14594	1.3
163.11171	10.5
163.14795	3.4
165.06902	0.9
165.09047	1.6
165.12776	2.1
167.08559	3.1
168.09326	0.9
169.10129	5.6
171.08032	1.1
171.10297	1.4
171.11685	16.8
173.09572	2.2
173.11769	1.5
173.13232	14.7
175.11169	5.0
175.14818	8.8
177.09134	1.0
177.12730	2.9
179.14264	1.5
180.09322	1.0
181.10139	4.9
181.12231	4.2
182.10832	1.1
183.08008	1.0
183.11682	6.1
184.07349	15.7
185.09575	1.7
185.13217	10.3
187.11108	1.7
187.14786	5.7
189.11172	3.1
189.12764	2.3
189.16393	2.1
191.14398	1.3
193.10109	1.0
195.11700	5.3
197.07266	3.1
197.13231	2.4
199.11188	1.5
199.13248	1.0
199.14835	6.7
201.12733	1.1
201.16414	2.6
203.14296	1.4
205.12117	0.9
207.11819	1.2
207.13640	1.0
209.13226	2.7
211.14810	2.4
213.12688	1.7
213.16333	2.7
215.17868	1.4
217.15849	2.2
219.13654	1.0
219.17334	1.0
221.13365	1.0
223.13058	1.8
225.16466	1.5
227.12659	4.1
227.17880	3.1
227.19899	1.0
229.14314	2.7
231.17403	1.1
231.21057	5.5
235.14850	1.5
237.12761	1.2
237.16373	1.9
239.17848	3.0
241.19511	22.9
243.21030	3.3
245.18973	2.7
249.14772	2.1
253.14215	1.0
255.15771	28.6
257.18976	8.5
259.20569	67.8
261.22113	9.7
263.15765	1.0
273.18509	18.8
275.20084	10.8
277.21588	2.1
289.21768	1.6
291.14755	1.6
291.19543	37.3
297.22092	1.6
309.16071	8.1
315.23148	10.5
317.24680	2.4
327.17163	1.5
331.22617	3.4
333.24225	82.3
335.22064	1.7
335.25803	26.1
347.22214	4.0
349.23831	6.2
365.23212	3.1
367.22192	1.1
370.68488	1.0
377.28311	1.6
383.15225	1.4
383.19824	19.3
385.21265	2.6
395.29410	1.3
397.20938	0.9
399.19299	4.5
401.20905	35.8
401.26172	1.9
407.29260	1.0
423.32446	2.0
499.34158	7.5
513.36536	2.9
515.37347	61.5
516.37512	1.3
531.38037	6.8
533.38000	1.5
549.38763	2.6
554.35492	1.4
561.32819	1.1
567.36005	2.0
585.36749	1.4
587.41595	1.2
605.41919	14.2
609.44885	1.2
623.43036	40.5
627.45514	1.4
641.39459	15.5
659.40704	47.9
660.40955	1.1
677.41125	7.4
874.48083	2.4
875.50189	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.5
65.03938	5.9
67.05507	88.6
68.05835	7.6
69.03420	7.3
69.07070	41.6
69.07417	1.5
70.06574	2.0
70.07403	2.6
71.05000	9.6
73.02950	1.8
74.51858	1.5
79.05493	78.9
80.05824	6.8
81.03421	18.6
81.07056	100.0
82.07381	5.9
82.81765	1.5
83.04982	18.6
83.08156	2.3
83.08622	37.3
84.08968	2.4
85.02889	8.4
85.06520	5.2
86.09692	6.1
90.22070	1.6
91.05484	79.3
92.05807	6.1
93.07047	71.5
94.07359	6.4
95.04373	3.6
95.04970	64.3
95.08611	43.8
96.08948	3.5
97.02882	6.8
97.06540	16.1
97.10168	18.2
98.06818	1.9
99.04454	6.1
99.08062	3.9
102.04442	1.5
103.05471	2.1
105.04575	1.7
105.07031	61.2
106.07352	5.6
107.04965	22.7
107.08597	52.8
108.08923	3.2
109.02890	3.0
109.06532	19.3
109.10155	26.9
111.04448	11.0
111.08084	9.6
115.05440	4.2
117.06236	2.3
117.07021	30.0
118.07332	3.5
119.08585	54.0
120.08912	5.0
121.06498	14.0
121.09331	2.5
121.10150	30.9
122.10434	2.5
123.04427	2.0
123.08072	17.7
123.11714	7.3
125.09630	17.4
128.06187	3.7
129.05501	2.1
129.07016	17.6
130.07838	2.6
131.08569	35.6
132.08887	4.0
133.06477	6.3
133.10132	35.7
134.10468	3.8
135.08072	12.3
135.11693	20.3
137.09615	4.8
139.11148	3.7
141.06979	5.4
142.07846	3.9
143.08582	16.3
144.08844	2.6
145.06482	2.9
145.10124	34.8
146.10423	5.1
147.08072	12.2
147.11705	22.7
148.11996	3.7
149.09630	33.3
149.13245	6.9
151.11183	4.7
153.09113	1.9
153.12733	3.0
155.08557	7.1
156.09111	1.8
157.10143	11.9
159.08057	4.0
159.11693	18.6
160.11942	3.2
161.09633	10.7
161.13228	7.9
163.11186	31.2
164.11476	2.8
165.09076	2.2
165.12813	4.8
166.12878	1.7
167.08514	3.7
169.10146	9.1
171.10347	3.2
171.11646	11.1
173.09657	3.3
173.11900	1.8
173.13286	6.8
175.11162	7.0
177.12781	4.7
181.10002	2.2
181.12299	2.9
183.11676	7.4
184.07317	12.9
185.13242	7.1
187.11139	5.9
187.14799	3.3
189.11212	11.7
189.12715	3.4
191.10661	2.5
191.14362	1.7
193.12201	4.9
195.11823	2.7
195.13637	1.8
197.07336	2.6
197.13187	4.5
199.14725	2.5
201.12701	2.1
203.14307	2.3
205.12196	5.8
207.11792	2.4
207.13712	2.0
209.13383	2.9
211.14864	2.8
213.16351	2.7
223.13284	32.8
225.16502	2.6
227.12807	2.6
229.19524	3.6
239.17926	4.3
241.19553	3.0
245.18942	2.6
247.20561	2.3
257.19022	9.7
259.20520	7.2
260.20648	2.4
267.15845	3.0
269.17511	6.2
273.18515	29.1
275.20065	58.1
276.20340	7.1
285.16922	2.7
291.19543	32.8
293.21094	31.3
309.16171	5.5
327.17239	1.6
333.24158	9.1
334.24503	6.1
336.26517	1.7
347.22223	11.0
349.23721	23.2
350.24011	4.7
365.23175	3.8
367.24820	37.1
368.25137	2.9
383.19791	22.1
401.20834	31.1
436.32974	2.1
460.80862	1.8
513.35883	2.5
514.36346	2.7
527.37189	7.6
528.37531	15.2
545.38062	2.4
607.43005	3.4
608.44037	8.2
621.41583	4.0
625.44183	2.6
626.44470	7.8
639.42255	10.4
640.46594	2.3
657.39520	3.9
658.43878	1.8
672.41382	2.7
675.40137	26.7
689.41956	2.8
690.42371	5.3
693.41150	37.2
762.13202	1.8
873.45746	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	872.573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.7
61.41173	1.4
64.77287	1.9
65.03932	6.2
67.05509	100.0
69.03432	7.6
69.06731	2.5
69.07075	32.8
69.61414	8.2
71.01348	1.7
71.04990	12.7
73.02921	2.2
79.05499	79.6
81.03425	16.2
81.07063	96.7
83.04988	12.1
83.08627	19.4
85.02891	7.5
85.06539	6.0
86.09716	3.7
87.68414	1.6
91.05488	90.2
93.07048	83.6
95.04982	14.2
95.08611	55.6
97.02894	5.8
97.06546	14.8
97.10194	11.7
97.36828	1.8
98.97754	1.5
99.04467	2.0
99.08070	4.4
103.05491	2.5
105.04509	3.4
105.07040	82.8
107.04938	7.4
107.08600	52.5
109.06542	10.7
109.10163	47.1
111.04472	2.0
111.08082	8.2
113.79156	1.9
115.05463	3.2
117.07024	32.0
119.08590	66.2
121.06499	6.5
121.10152	31.4
123.04478	1.6
123.08075	7.2
123.11703	5.2
125.09622	8.3
127.03925	2.4
128.06245	6.8
129.05469	3.0
129.07010	22.5
131.08582	40.7
133.09132	2.7
133.10139	50.2
134.10448	1.9
135.08092	9.6
135.11702	26.6
137.09624	8.4
139.11206	3.1
141.06973	6.5
142.07779	3.8
143.08562	19.0
144.09261	2.1
145.10143	37.3
145.11287	2.2
147.08025	4.7
147.11705	39.4
149.09668	11.8
149.13272	12.8
151.11189	6.1
153.06950	2.5
155.08534	10.3
155.10640	4.3
157.10139	21.9
159.08069	2.1
159.11682	27.8
161.09601	2.3
161.13292	18.4
163.11198	10.7
163.14871	3.3
165.07033	1.7
165.09125	2.1
165.12714	3.4
167.08597	4.0
168.09352	2.3
169.10127	12.8
171.11691	23.4
172.78555	1.7
173.04485	3.3
173.09625	4.2
173.11722	7.1
173.13264	16.2
175.11214	4.5
175.14835	6.7
177.12709	3.4
179.14281	2.6
181.10155	8.8
181.12280	1.8
183.11700	13.2
184.07356	6.7
185.13266	15.9
187.11214	2.0
187.14824	6.7
189.12761	1.9
191.14308	1.9
193.10149	2.8
195.11684	7.5
195.13651	2.9
197.13268	10.8
199.11188	2.6
199.13132	1.8
199.14825	7.1
201.12672	1.9
201.16310	2.4
203.14259	2.6
209.13257	4.6
211.14795	4.4
213.14594	2.0
213.16451	2.5
215.14291	2.0
215.18040	2.2
221.13344	3.7
223.14850	4.5
227.12755	5.0
229.14363	25.4
231.17554	2.5
231.21036	3.9
235.14827	3.3
237.16408	4.0
239.18001	4.9
241.19563	11.7
255.15833	4.3
257.19055	6.5
259.20609	44.5
261.22253	4.1
267.15942	4.5
269.17444	10.2
271.20554	2.2
273.18451	4.6
275.20065	21.5
276.20471	2.1
277.21707	2.2
283.20517	1.8
289.17810	1.7
291.19543	4.8
293.20984	2.4
297.22122	2.1
315.23029	3.8
325.21814	1.8
333.24292	41.4
335.25803	2.6
339.23111	2.4
349.23825	13.2
351.25122	2.1
353.24634	2.0
367.22583	2.3
399.23907	2.5
413.21600	1.8
435.32443	5.5
453.33517	3.8
482.02112	1.8
487.34137	14.8
495.28317	2.0
495.34644	2.7
505.35272	22.4
509.36267	5.2
513.36163	13.4
515.38080	3.8
527.37372	61.8
533.39752	5.4
539.37054	1.9
545.38232	3.6
589.42432	2.0
595.36615	2.5
607.34186	2.7
607.43567	45.9
625.44696	29.7
635.39441	4.5
639.46454	9.8
653.40302	6.8
671.41339	8.9
675.44086	3.0
689.42633	20.0
717.86469	1.9
769.48352	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	872.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	1.5
65.03944	4.1
67.05510	100.0
68.07314	1.0
69.03430	6.6
69.07074	45.5
69.25478	6.0
71.01359	0.9
71.04998	8.8
73.02919	1.7
73.06557	1.4
77.03956	1.4
79.05499	65.7
81.03064	0.9
81.03439	9.9
81.07060	84.5
82.07383	0.8
83.04987	9.2
83.08628	15.9
85.02904	3.7
85.06544	3.7
86.09696	1.1
87.72436	0.9
91.03963	1.3
91.05486	53.3
93.07047	69.3
95.04974	12.6
95.08611	65.2
97.02903	3.8
97.06537	17.3
97.10166	8.4
99.04491	0.9
99.08100	3.6
103.05473	0.8
105.04503	2.6
105.07037	38.4
107.04968	8.2
107.08598	37.6
109.02887	1.0
109.06520	7.0
109.10164	39.0
111.04460	2.6
111.08099	5.7
111.11736	1.4
113.09637	1.8
115.05462	1.3
117.07028	16.8
119.08585	32.5
121.06503	3.7
121.10150	27.5
123.08076	6.4
123.11703	7.2
124.41370	0.8
125.00015	1.2
125.09625	6.4
127.03883	3.0
129.05476	2.5
129.07021	5.1
130.07845	0.9
131.08572	25.7
133.06541	1.1
133.10139	24.6
135.08092	3.8
135.11700	17.5
137.09622	10.4
137.13214	1.4
139.11166	2.0
141.06970	2.1
143.08546	5.7
145.06477	1.0
145.10135	17.0
147.04430	0.9
147.08055	2.6
147.11710	13.5
149.09616	10.6
149.13264	11.1
151.11176	2.9
153.12825	1.0
155.08562	2.1
155.10661	2.0
157.10152	5.7
159.11713	14.1
161.09648	2.7
161.13271	8.5
163.11166	5.6
163.14809	2.4
165.12833	1.3
169.10139	3.4
171.10320	1.9
171.11717	5.1
173.04285	1.1
173.11752	9.3
173.13286	9.1
175.11310	1.4
175.14830	2.4
177.12732	3.4
179.14336	3.7
181.10124	1.6
183.11708	2.4
184.07399	4.7
185.13277	4.2
187.11214	1.3
187.14853	3.5
189.11200	2.6
189.12743	1.6
189.16388	1.3
193.12234	1.4
195.13853	1.9
197.13329	2.4
199.13217	1.3
199.14851	1.6
201.16405	1.8
203.14427	1.5
211.14993	1.6
217.15942	1.1
219.17491	0.9
227.12665	4.7
229.14326	13.3
229.19533	2.1
233.15305	1.4
239.18130	1.1
243.21175	3.0
247.20583	2.3
251.16432	1.6
257.19022	3.4
259.20618	3.3
261.22220	11.9
267.15872	2.1
269.17462	2.5
273.16422	1.6
273.18619	3.6
275.20038	18.9
277.21701	1.0
291.19495	4.6
293.21155	2.8
299.15030	1.7
307.19025	1.6
307.22583	1.1
317.24667	2.5
333.24240	1.7
335.25809	71.0
336.09906	1.0
336.26096	1.7
339.18149	1.3
347.22360	1.6
349.23755	23.8
350.23941	0.9
365.23193	3.4
373.18658	4.2
383.24289	1.1
413.21927	1.5
431.31549	3.6
433.60880	0.9
437.33755	1.0
489.35791	41.9
503.37064	4.5
513.39240	2.9
515.37421	5.6
527.37793	0.9
529.38953	43.1
530.39172	1.5
533.38007	2.0
545.38177	2.9
569.42023	4.6
585.41620	2.4
603.62579	1.0
609.45166	37.5
610.44995	1.1
625.44373	5.0
627.46167	11.1
633.39575	1.4
641.47815	2.9
657.47174	1.5
673.43170	1.5
675.39679	2.4
779.49927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.1
65.03927	4.7
67.05507	100.0
68.05843	1.7
68.78785	1.3
69.03416	5.8
69.07069	36.0
69.29775	11.3
71.04997	22.7
73.06529	1.3
77.03889	1.2
79.05496	70.0
80.05812	2.1
81.03424	12.7
81.07060	93.9
82.07394	3.0
83.04991	9.5
83.08627	22.7
85.02900	7.2
85.06536	5.9
86.09705	9.4
91.05483	77.5
92.05811	1.8
93.07047	84.3
94.07372	1.5
95.04967	15.9
95.08610	49.7
96.05276	2.0
96.08909	1.4
97.02899	3.5
97.06535	12.7
97.10172	9.4
98.21581	2.6
99.04466	2.4
99.08104	4.7
103.05449	2.6
105.04520	3.1
105.07037	78.2
106.07360	2.9
107.04950	9.2
107.08598	49.2
109.02847	2.2
109.06530	9.2
109.10161	43.0
110.10522	2.3
111.04423	3.8
111.08075	6.0
113.05991	1.5
113.09662	6.4
115.05439	4.8
117.06236	1.9
117.07023	27.6
119.08585	59.5
120.08937	3.5
121.06504	7.4
121.09330	2.4
121.10151	31.3
123.04443	1.7
123.08083	8.0
123.11724	7.7
125.00000	6.0
125.09621	7.1
127.03883	1.7
128.06230	3.6
129.05498	2.1
129.07001	16.9
130.07814	1.8
131.08577	35.6
132.08862	1.3
133.06491	3.1
133.09129	2.8
133.10138	48.8
134.10474	2.7
135.08076	8.4
135.11699	24.0
137.09566	7.4
139.11227	1.7
141.06976	4.5
142.07788	1.6
143.08566	16.1
145.06448	2.4
145.10130	33.8
146.10469	1.8
147.08061	2.9
147.11694	41.6
148.11952	2.3
149.09647	8.9
149.13263	14.5
151.11197	5.7
153.09187	1.9
155.08551	6.1
157.10121	19.4
158.10527	1.7
159.08080	2.5
159.10458	2.1
159.11699	26.1
161.09599	4.4
161.13271	20.1
163.11179	8.0
163.14810	5.1
165.09143	1.4
165.12744	3.2
167.08597	2.3
169.10129	10.0
171.08072	1.4
171.11684	15.7
173.09683	1.6
173.11731	4.9
173.13272	12.5
175.11214	3.1
175.14809	8.4
177.12737	4.7
179.14291	2.3
181.10143	3.0
181.12163	2.3
183.10312	1.5
183.11662	7.7
184.07344	25.3
185.13264	13.3
187.11252	1.6
187.14835	5.8
188.27454	1.5
189.11224	3.4
189.12740	2.2
189.16368	2.4
191.12128	1.3
191.14056	1.9
193.10075	1.4
193.12311	3.2
195.11742	3.9
195.13788	3.1
197.13271	8.2
199.14844	7.7
201.16365	1.8
205.15848	1.5
207.11778	2.1
209.13271	3.4
211.13089	1.9
211.14819	3.7
213.16360	4.2
214.13564	1.3
215.17923	1.9
217.15715	1.4
221.13228	1.9
221.15359	1.5
223.14946	2.3
227.12761	8.2
229.14348	20.2
229.19402	2.9
231.17480	1.6
231.21053	3.0
233.15352	1.6
239.17987	3.5
241.19511	15.0
257.19031	7.1
259.20596	39.9
261.21954	1.9
267.15878	4.9
269.17517	15.2
273.18552	4.8
274.18716	1.9
275.20059	28.0
276.20358	1.6
277.21686	3.6
279.20981	1.5
291.19540	5.3
292.19934	2.4
293.21091	6.6
297.22107	1.8
307.22708	2.9
313.21356	1.4
315.23203	3.6
327.23108	1.7
329.20978	2.1
333.24249	45.9
334.24658	2.1
335.25702	4.7
349.23776	12.0
351.25220	3.1
365.23495	2.6
366.23871	1.5
367.25009	11.2
381.26431	3.9
382.00803	1.4
417.31229	2.0
435.32632	3.7
453.33521	2.0
459.32043	2.0
469.33447	1.6
471.34735	1.9
487.34024	7.6
503.33478	1.9
505.35260	15.2
509.36136	4.0
513.35541	4.5
515.37811	5.1
525.35492	1.8
526.35822	2.6
527.37354	38.1
533.39856	3.0
543.36896	6.7
544.37250	4.9
545.38068	17.1
551.41168	2.0
555.36639	1.7
607.34113	2.3
607.43555	35.4
625.44611	37.6
635.38666	1.9
639.46130	7.3
643.45154	4.9
657.44318	2.1
675.44598	1.9
769.48608	2.7
873.48230	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.5
64.98251	1.0
65.03936	4.3
67.05508	100.0
69.03439	6.0
69.07073	39.7
71.05001	10.5
72.18378	0.8
73.02911	1.3
77.03916	1.1
77.70747	0.8
79.05494	60.1
81.03416	8.9
81.07059	76.8
83.04975	8.9
83.08616	12.4
85.02926	5.0
85.06542	4.5
86.09721	1.5
87.40068	0.8
91.03970	1.2
91.04907	1.9
91.05483	47.0
93.07047	67.2
95.01362	0.9
95.04974	9.1
95.08611	58.0
97.02885	3.1
97.06533	13.3
97.10198	6.6
98.21592	2.3
99.04444	1.3
99.08099	3.7
105.04517	2.9
105.07037	34.1
107.04965	5.7
107.08593	35.5
109.02898	1.9
109.06532	5.0
109.10162	40.4
111.04475	2.6
111.08089	5.5
113.09678	1.3
115.05475	1.6
117.07026	12.9
119.04874	1.0
119.07721	1.3
119.08584	28.8
121.06513	3.6
121.10144	29.6
123.08096	4.7
123.11702	5.8
124.99982	1.2
125.08810	1.0
125.09601	5.6
127.03899	3.3
127.11257	1.1
128.06155	1.4
129.05496	3.2
129.07004	3.6
131.08578	22.1
132.57030	1.1
133.10139	20.9
135.08102	4.6
135.11693	13.5
137.09628	11.5
139.11157	1.9
141.06978	2.4
142.07817	1.1
143.08601	4.9
145.10120	16.6
147.11702	11.0
149.09608	10.2
149.13281	10.3
151.11223	3.0
155.08548	2.2
155.10712	2.3
157.10126	4.8
159.11702	12.4
161.09618	3.3
161.13264	7.1
163.11182	4.3
163.14838	3.1
167.10616	1.9
169.10135	1.5
169.12238	0.9
171.10271	1.5
171.11693	3.4
173.11746	7.6
173.13278	7.1
175.11205	3.0
175.14844	3.0
177.12735	3.4
177.16400	1.0
179.14368	2.7
183.11679	2.0
184.07320	5.2
185.13248	3.4
187.11195	1.4
187.14786	4.6
189.11243	2.2
189.12799	2.0
191.14354	1.2
193.12233	1.6
195.11617	0.9
195.13768	1.7
197.13321	1.6
199.13242	2.4
199.14871	1.7
201.16403	1.2
203.10686	1.1
211.13252	1.3
213.14677	1.1
213.16507	1.2
215.18027	1.2
227.12773	3.7
229.14339	13.8
229.19582	1.8
239.17963	1.7
243.21085	2.9
247.20592	1.7
253.14403	1.4
257.18985	3.7
259.20526	3.7
261.22177	9.0
267.15933	1.5
269.17587	1.6
273.17004	4.7
273.18619	1.1
275.20059	16.6
277.21683	1.1
291.16571	1.2
291.19470	4.9
293.21210	2.5
299.14807	2.0
317.24725	2.4
333.24307	1.4
335.25803	74.4
336.26163	1.2
337.27765	1.2
339.17911	1.0
347.22162	1.6
349.23685	17.9
365.23151	4.5
373.18671	4.6
397.30719	1.0
431.31653	2.5
489.35760	47.6
503.37463	4.1
505.35477	1.0
513.39380	1.8
515.37390	4.0
529.38928	39.3
531.40839	1.0
533.38373	2.4
545.38147	3.2
607.44000	1.1
609.45160	37.1
625.44489	4.1
627.46161	12.8
633.39478	2.7
641.48004	5.2
643.45996	1.5
673.42871	2.1
675.39166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.537
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77357	1.1
65.03934	3.7
66.45658	1.0
67.05505	64.0
69.03435	6.1
69.07070	30.6
70.06596	2.1
71.05004	7.4
76.27636	1.1
79.05495	56.3
81.03413	15.0
81.07057	100.0
82.07403	1.3
83.04974	15.9
83.08624	19.7
85.02901	4.9
85.06556	4.2
85.11874	1.0
86.09711	4.2
91.05483	50.1
93.07047	55.7
95.04974	20.0
95.08612	31.3
97.02891	3.4
97.06522	12.2
97.10172	22.7
98.10487	1.3
98.21537	2.0
99.04468	2.6
99.08098	4.1
103.05490	1.5
105.04597	1.4
105.07033	37.8
107.04952	12.4
107.08596	38.0
109.02863	1.9
109.06525	18.7
109.10157	23.5
111.04462	9.8
111.08062	5.6
115.05453	3.3
117.07024	18.2
119.04913	1.6
119.08583	33.5
121.06501	9.0
121.10145	20.2
123.08064	17.8
123.11700	4.5
124.99972	1.2
125.05983	1.7
125.09645	20.2
127.03902	1.1
127.07542	1.2
128.06224	2.0
129.05478	1.7
129.07004	9.6
130.07784	2.5
130.82588	1.0
131.04951	1.9
131.08568	22.8
133.06505	6.1
133.10136	27.4
135.08054	10.5
135.11690	18.1
137.09653	5.8
139.07529	1.2
139.11134	2.4
141.06989	2.3
142.07814	1.7
143.08563	8.0
145.06480	2.9
145.10124	19.8
147.08044	10.3
147.11684	12.9
149.09633	16.2
149.13263	8.3
151.11151	5.5
153.09123	4.0
153.12747	3.9
155.08565	4.0
157.10114	7.0
159.08075	2.5
159.11699	15.0
161.09616	8.0
161.13281	4.3
163.11185	16.6
165.09149	4.2
165.12794	2.2
167.54269	1.2
169.10159	3.7
169.12280	1.4
171.08113	1.3
171.10223	2.3
171.11716	5.2
173.09644	5.4
173.11876	1.3
173.13283	3.9
175.11229	6.5
177.08998	1.2
177.12787	5.5
179.14351	1.9
181.10115	1.5
181.12267	6.8
183.11714	1.6
184.07324	6.7
185.09657	1.3
185.13298	3.9
187.11134	1.2
187.14859	1.2
189.11226	11.9
189.12776	2.4
191.10696	4.6
193.12262	4.4
195.11871	1.6
195.13840	2.9
197.13292	2.3
199.14859	2.8
201.16400	2.0
205.12312	1.5
209.11662	1.3
213.12836	1.6
223.13286	4.5
227.12781	20.7
227.14891	1.4
227.17961	2.9
229.14310	4.3
239.17934	2.1
245.19075	4.4
247.20650	1.4
249.14874	2.5
253.14346	7.8
255.15807	3.5
255.17857	2.0
257.19034	4.1
259.20636	1.7
267.15857	1.5
269.17468	31.0
273.18497	31.1
274.19119	1.2
275.20056	21.0
283.15479	3.5
289.17960	1.4
291.19556	53.5
292.19971	1.5
293.21118	3.0
309.20630	6.6
331.22733	1.2
333.24295	1.2
347.22214	11.4
349.23660	14.5
365.23230	32.6
366.23688	1.4
367.24725	7.7
383.24200	10.5
433.29779	2.5
439.26840	2.7
449.30463	1.1
501.31631	1.1
513.35730	1.6
519.33453	6.0
527.33636	2.3
541.35217	12.6
545.34631	7.3
559.36334	50.9
563.35840	4.2
577.37445	17.7
599.39435	1.6
621.41199	4.0
639.32336	1.3
639.42456	17.6
657.43835	10.6
675.44458	3.3
703.40558	1.7
772.94177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.2
65.60789	1.2
67.05509	74.5
69.03423	7.6
69.07072	32.7
69.16200	9.1
69.16618	2.9
70.06586	2.3
71.01340	1.2
71.04997	7.9
71.08635	1.1
73.02902	2.2
77.03963	1.4
79.05499	71.0
81.03423	12.0
81.07059	100.0
82.07401	2.8
83.04984	15.2
83.08624	19.0
85.02905	5.1
85.06540	4.6
86.09709	2.8
91.05486	68.2
93.07047	62.3
94.07855	1.2
95.01354	1.1
95.04977	22.8
95.08609	41.3
96.08949	2.2
97.02901	5.8
97.06536	14.2
97.10168	17.7
98.21510	2.9
99.04480	1.8
99.08083	3.0
103.05439	2.6
105.04572	2.0
105.07037	63.7
106.07320	1.7
107.04981	12.1
107.08601	40.7
109.02840	3.3
109.06523	26.5
109.10165	29.0
111.04423	7.6
111.08090	6.7
115.05484	2.7
116.04723	2.7
117.07024	29.1
119.04942	2.1
119.08588	54.2
120.08907	1.3
121.06512	9.7
121.10148	27.1
123.04433	2.3
123.08080	16.3
123.11677	6.1
125.09628	17.6
127.03954	2.0
127.07583	1.7
128.06253	2.5
129.05501	7.9
129.07004	15.1
130.07840	1.5
131.08577	32.3
132.09023	1.1
133.06499	5.1
133.10136	36.3
134.11014	1.1
135.08070	10.9
135.11697	20.3
137.06003	1.3
137.09610	15.4
139.11194	2.4
141.06950	2.6
142.07822	1.5
143.07039	1.9
143.08583	14.3
144.09290	1.2
145.05049	1.5
145.06410	2.5
145.10138	32.4
146.10507	1.1
147.08026	9.1
147.11710	28.8
149.09625	13.1
149.13255	10.6
151.07475	1.7
151.11189	2.8
153.09117	5.2
153.12718	3.8
155.08560	6.2
155.10574	1.6
157.08624	4.7
157.10129	12.5
158.10428	1.2
159.08073	3.6
159.11699	23.9
161.09637	9.5
161.13248	14.1
163.11172	15.5
163.14825	2.6
165.09131	4.3
165.12717	3.0
166.38853	1.1
167.08604	2.3
169.10107	5.8
171.10187	4.2
171.11696	11.6
173.04404	1.4
173.09663	5.3
173.11763	3.4
173.13203	10.4
175.11176	5.8
175.14836	5.1
177.12782	4.3
179.14229	1.9
181.10147	2.9
181.12222	6.3
183.11711	4.9
184.07307	5.4
185.09676	1.8
185.11778	1.6
185.13278	10.4
187.11250	2.7
187.14830	2.9
189.11253	13.5
189.12801	2.8
189.16400	1.3
191.08990	1.2
191.10706	4.7
191.14250	1.7
193.10590	1.1
193.12212	6.4
195.11737	2.0
195.13788	2.0
197.13275	4.9
199.11235	2.8
199.13165	1.1
199.14861	4.4
201.12712	2.5
201.16411	1.5
203.14282	1.8
205.12361	1.9
207.11765	1.3
209.11633	1.6
209.13304	2.6
211.11302	1.1
211.14822	2.1
213.16437	3.8
215.18100	1.7
221.15486	1.3
223.13307	5.2
223.88437	1.4
227.12767	17.0
227.18042	1.7
229.14207	6.6
229.19504	2.4
231.17522	2.5
231.21082	2.6
233.15335	2.2
239.17947	3.7
241.19489	12.8
243.15843	1.6
245.18994	3.1
253.19173	1.3
255.17746	2.2
257.19089	9.9
259.20572	33.1
263.20288	1.5
267.15866	1.7
269.17383	9.3
271.17035	1.1
273.18530	27.6
274.18851	3.8
275.20099	27.0
277.21652	1.5
283.15500	2.4
289.17923	2.4
291.19540	47.7
292.19852	6.4
293.21271	5.4
297.22067	1.5
301.21732	1.3
307.19119	2.3
309.20615	2.6
315.23166	4.5
327.23697	1.4
329.20953	1.3
333.24246	41.9
347.22198	7.6
348.22330	1.9
349.23740	14.8
351.25345	1.7
365.23218	24.7
366.23657	3.6
367.24918	7.3
381.22617	3.5
383.24341	6.5
399.23788	16.0
449.29932	1.4
487.34058	2.2
499.34070	1.4
503.33618	1.8
511.35257	1.3
513.35895	3.4
519.33032	1.7
523.33667	1.4
525.35974	1.7
527.37048	2.2
529.35461	2.2
531.37799	1.5
541.35144	1.7
543.36444	2.2
549.38959	1.5
559.36340	6.0
575.35785	2.0
577.36731	3.4
605.41882	2.6
607.43359	1.8
621.41394	2.5
623.43121	13.5
638.40497	2.4
639.42114	9.7
641.44147	6.5
657.43652	27.1
674.38715	4.1
675.45313	7.4
692.40295	3.1
750.21875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02944	1.1
63.73486	0.9
64.94954	0.8
65.03947	4.7
67.05508	61.6
69.03432	7.8
69.07074	30.9
69.85222	5.5
70.06582	3.6
74.40881	0.9
77.03934	1.5
79.05496	81.1
80.05836	2.2
81.03427	13.4
81.07056	100.0
82.07391	3.0
83.04984	17.4
83.08620	25.2
84.40913	1.0
85.02915	5.0
85.06532	3.9
85.84060	1.0
86.09721	6.2
91.05486	51.8
93.07047	52.3
94.07367	1.8
95.04973	23.5
95.08611	31.3
96.68206	0.9
97.02883	4.0
97.06539	14.2
97.10175	45.1
99.04458	2.0
99.08081	3.9
101.09609	1.3
103.05499	2.6
105.04520	2.3
105.07035	52.0
106.07317	1.0
107.04956	19.6
107.08597	66.7
109.02855	2.5
109.06517	25.2
109.10162	22.4
110.06885	1.1
110.72247	0.8
110.95056	0.9
111.04444	10.9
111.08086	10.0
113.09635	1.3
115.05429	1.7
116.06258	1.1
116.17954	0.9
117.06238	1.3
117.07028	19.3
119.04985	1.3
119.06026	1.0
119.08585	40.7
120.08863	0.9
120.14995	0.8
121.05122	0.9
121.06509	9.9
121.10153	21.8
123.04430	1.8
123.08070	22.7
123.11713	2.6
125.00015	2.5
125.06036	1.2
125.09640	43.6
127.03891	1.5
128.06232	3.5
129.07005	8.6
130.07771	2.6
131.04900	1.1
131.08572	25.2
133.06534	4.4
133.10138	27.9
135.08069	12.6
135.11707	13.7
137.09624	6.7
139.11183	1.9
141.06989	2.0
141.09109	1.4
142.07777	2.1
143.08577	11.7
143.10689	2.3
145.06512	3.4
145.10132	29.8
147.08043	9.6
147.11690	16.5
149.06017	1.0
149.09621	21.9
149.13264	3.9
151.07553	1.3
151.11166	3.2
153.09076	6.7
153.12752	4.1
154.07762	1.1
155.08531	5.1
157.06505	1.4
157.10115	10.3
159.08052	4.4
159.11691	14.4
161.09622	12.5
161.13268	6.0
163.11168	24.5
165.09157	5.4
165.12767	1.2
167.08432	1.4
169.10085	4.1
171.08656	0.8
171.10185	4.3
171.11707	8.1
173.09642	3.0
173.11862	1.8
173.13261	7.3
175.11191	7.0
175.14864	1.2
177.09142	1.2
177.12799	4.6
179.14314	2.0
181.10146	2.2
181.12234	6.9
183.11699	4.8
184.07339	7.8
185.09581	1.9
185.13248	6.5
187.11203	3.4
187.14813	3.1
189.11221	26.8
189.12741	2.8
191.10696	5.2
193.12230	4.5
195.11719	1.3
197.13181	2.9
199.11208	1.8
199.14876	2.9
201.12726	1.2
205.12245	2.7
209.13408	1.6
211.14806	2.1
213.12817	1.8
213.16444	2.5
215.14334	1.4
217.15869	1.2
219.13680	1.2
221.15443	1.2
223.13194	4.6
225.16440	1.3
227.12784	50.8
227.17706	1.9
229.14360	1.4
229.19464	2.5
231.13835	1.2
233.15242	1.1
237.16481	1.7
239.17894	2.7
245.13884	6.6
245.19005	4.8
247.20598	1.4
249.14900	2.3
253.18005	1.3
255.17502	6.0
257.19022	11.1
267.16165	1.1
269.17459	3.2
273.18491	39.4
274.18967	1.4
275.20074	54.1
276.20474	1.6
283.15460	3.0
289.18134	1.2
291.19540	73.7
292.19968	4.0
293.20816	3.8
309.20566	8.7
313.21545	1.3
328.49487	1.0
329.21060	1.9
331.22641	4.7
347.22165	21.3
348.22452	1.2
349.23740	64.5
350.24100	1.6
365.23230	44.7
366.23633	2.7
367.24637	6.1
383.24234	19.5
384.24625	1.2
389.17984	3.1
395.29443	1.2
395.97794	1.3
397.22162	2.0
501.32150	2.2
515.33514	1.1
517.31537	6.3
519.32922	3.6
527.34033	1.1
529.36218	2.3
535.32800	14.7
541.27979	1.0
541.34912	5.4
543.36682	2.3
545.97107	1.1
547.37805	2.4
553.33801	2.9
557.34442	3.2
558.34717	1.4
559.35980	6.9
565.38501	2.6
575.36084	1.0
581.38239	1.3
599.38977	3.2
603.40869	2.3
621.41479	21.9
638.41199	1.5
639.42529	88.3
640.42859	2.5
657.43579	59.1
658.43555	1.7
675.44409	5.8
679.36664	2.2
872.48663	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	3.3
65.03931	4.1
67.05506	67.2
69.03440	9.2
69.07065	28.0
69.29427	16.3
71.04985	9.2
71.08646	2.3
77.03936	2.2
79.05493	86.1
81.03407	7.0
81.07057	79.5
83.04966	8.6
83.08616	15.0
85.02888	3.8
86.09686	6.3
88.45213	1.8
91.05480	93.1
93.07044	89.8
93.07640	4.4
95.04974	22.7
95.08606	41.1
97.02881	2.9
97.06516	6.0
97.10146	13.8
98.21483	2.9
99.08083	4.4
103.05478	2.9
105.04475	2.7
105.07029	88.0
107.04976	14.3
107.07882	3.9
107.08597	58.5
109.02834	5.3
109.06505	7.9
109.10157	27.7
111.08076	7.7
115.05437	4.7
117.07019	34.1
119.08585	74.3
121.06486	12.8
121.10149	29.8
123.04430	2.9
123.08055	9.1
123.11672	4.4
125.00014	2.5
125.09628	10.4
128.06229	2.9
129.05450	2.4
129.06993	17.0
130.07703	2.2
130.98938	2.2
131.08568	40.2
133.06485	4.4
133.10127	49.4
135.08054	29.5
135.10797	3.2
135.11687	20.6
137.05951	2.2
137.09659	8.7
141.06976	3.6
142.07777	3.0
143.08569	19.0
145.06490	7.5
145.10126	33.1
147.08047	7.3
147.11684	44.9
149.09605	8.2
149.13280	11.7
151.11143	3.2
153.09099	2.9
155.08565	4.5
157.10121	16.4
159.08002	5.5
159.11699	23.8
161.09564	8.3
161.13249	27.0
163.07529	11.6
163.11168	7.3
163.14757	3.9
169.10121	5.8
171.05698	6.4
171.11656	15.7
173.09604	3.2
173.13264	15.5
175.11182	3.6
175.14832	11.7
177.12682	2.7
179.10722	2.3
179.14372	2.4
181.10118	2.2
183.11681	6.6
184.07352	16.5
185.13219	11.7
187.11229	3.7
187.14822	3.1
189.11180	5.6
189.12724	3.4
190.30893	2.4
191.10645	3.6
193.12140	2.1
195.11716	2.6
197.13196	3.2
199.05270	4.4
199.14809	7.1
203.14337	2.2
215.18004	3.1
221.11497	2.7
225.16286	2.2
225.49095	1.9
227.12773	20.9
231.21039	5.8
241.19522	31.7
243.17346	3.9
257.18933	5.1
259.20587	100.0
261.94852	1.9
265.07098	1.8
269.17444	3.5
271.16946	7.9
271.20389	2.3
273.18433	4.6
275.20114	9.3
276.47229	2.0
277.21671	3.4
279.15021	3.4
289.17923	15.7
291.19595	6.7
315.23215	4.6
325.15479	4.1
333.24219	86.2
335.25864	7.9
349.23581	7.8
351.25131	2.5
377.28165	4.6
399.19339	99.8
401.20813	4.6
431.26978	8.7
489.35947	2.9
515.33423	4.5
543.36877	3.4
547.37695	2.4
552.79065	2.1
583.35724	2.2
621.41443	33.0
625.43970	5.2
639.42749	12.4
657.38977	42.4
675.40222	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.7
67.05508	51.1
69.03430	6.8
69.06727	1.9
69.07074	24.5
70.06610	1.8
71.04984	5.6
76.58080	1.3
77.03925	1.5
79.05498	61.2
81.03420	17.2
81.07063	100.0
81.72514	1.3
82.07378	1.6
83.04988	20.1
83.08158	1.6
83.08622	19.9
85.02936	6.9
85.06528	4.1
86.09747	3.6
89.92139	1.4
91.04917	1.7
91.05489	42.0
93.07050	43.2
94.58303	1.2
95.04984	24.5
95.08054	2.4
95.08611	26.8
97.02872	2.5
97.06551	11.4
97.10178	30.8
98.20584	2.3
99.04447	2.8
99.08098	3.4
103.05474	2.1
105.07037	31.5
107.04964	17.3
107.08602	32.6
109.02870	1.7
109.06536	18.2
109.10165	14.4
111.04460	18.7
111.08091	11.0
115.05408	1.7
117.07020	16.8
119.04919	2.0
119.07822	2.3
119.08598	32.8
121.06535	13.3
121.09351	1.6
121.10165	20.3
123.04406	2.6
123.08072	36.7
125.06023	2.2
125.09639	27.7
128.06241	3.4
129.07028	10.1
130.07813	1.5
131.08585	19.1
133.06477	5.1
133.10147	14.2
135.08067	13.5
135.11708	14.1
137.09637	6.9
139.11163	3.8
141.06992	1.9
141.69102	1.4
142.07774	1.9
143.08569	8.9
143.10730	2.1
145.06502	3.4
145.10124	23.5
147.08055	16.5
147.11707	9.8
149.09628	10.9
149.13251	2.9
151.07468	1.6
153.09062	4.8
153.12753	10.1
155.08534	4.7
156.09319	1.4
157.10143	10.9
159.08073	4.3
159.11711	8.5
161.09636	16.0
161.13216	1.8
163.11186	26.9
164.11424	1.3
165.09138	7.4
169.10103	3.3
171.10281	1.5
171.11687	6.6
173.09682	6.5
173.13268	2.1
175.11163	6.4
177.12794	3.9
181.10136	1.9
181.12239	9.0
183.11787	1.8
184.07321	6.6
185.13261	3.7
187.11012	2.7
189.11247	21.4
189.12753	1.9
191.10715	8.6
193.12265	6.7
195.11610	3.1
199.14844	2.6
203.10709	1.7
209.11668	2.6
211.13226	1.6
213.16455	1.8
221.15349	2.8
223.13312	6.3
225.16481	1.7
227.12764	17.1
227.17851	2.7
237.16498	2.0
245.19006	5.4
249.14893	2.8
255.17448	4.4
267.15878	2.0
271.17032	1.6
273.18509	57.0
275.20078	2.7
283.15369	4.9
287.20013	3.2
291.19559	97.6
309.20590	11.2
329.21136	2.4
347.22192	21.3
349.23831	1.7
365.23273	56.9
383.24280	27.7
493.22275	1.7
527.34119	2.4
529.34991	2.5
535.32239	3.0
545.36487	1.6
557.34521	3.5
563.36896	1.5
581.38269	2.1
637.41058	14.2
655.42041	28.6
673.43298	18.0
691.44275	7.9
871.46606	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	870.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.4
65.03934	3.8
67.05506	74.7
69.03126	0.7
69.03436	6.2
69.07070	26.5
71.04991	11.4
71.08634	0.8
73.02894	1.2
73.06559	0.9
75.04479	1.8
77.03925	0.8
78.94395	0.7
79.05495	54.2
81.03423	10.3
81.07057	79.0
83.04983	8.0
83.08622	12.8
85.02904	4.4
85.06547	3.1
87.04460	0.9
91.03960	1.3
91.05482	45.5
91.16908	0.7
93.07046	67.1
95.01334	0.8
95.04974	7.8
95.08611	45.0
97.02892	3.2
97.06528	13.4
97.10183	3.3
98.21516	1.8
99.04456	1.4
99.08101	4.7
103.05502	0.8
105.04527	1.1
105.07034	28.0
107.04956	4.7
107.08594	35.9
108.80243	0.7
109.02864	1.9
109.06513	3.7
109.10155	19.1
111.04455	1.2
111.08057	3.6
113.09638	1.5
115.05444	0.8
117.07021	14.8
119.06088	0.8
119.08586	24.0
121.06522	4.3
121.10148	27.3
121.11050	1.3
123.04485	0.9
123.08063	2.8
123.11687	6.1
125.09643	1.9
127.03902	2.1
128.06172	1.1
129.05482	2.6
129.06982	4.1
131.04927	1.0
131.08566	21.3
133.06503	1.0
133.10132	20.3
135.08072	3.7
135.11699	16.6
137.06001	0.9
137.09598	2.3
137.13264	1.5
139.11214	1.3
141.06975	1.8
143.08578	5.3
145.06497	1.8
145.10114	12.4
147.08051	1.7
147.11687	11.7
149.09607	7.3
149.13260	12.4
151.11188	2.0
151.14801	0.8
155.08575	2.1
157.10138	4.1
159.11682	13.2
161.09627	1.2
161.13232	6.7
163.11179	4.5
163.14819	1.5
165.12749	1.6
167.08737	0.8
169.10143	2.1
171.11656	3.6
173.04489	3.3
173.09644	0.9
173.11884	1.3
173.13263	6.5
175.11209	1.0
175.14883	1.4
177.12762	3.5
177.16417	1.1
179.14331	1.6
181.10143	1.1
183.11713	2.8
184.07358	2.7
185.13297	2.6
187.11177	1.6
187.14836	2.4
189.12714	0.8
189.16460	0.8
191.14323	1.5
194.50320	0.7
195.11827	1.1
195.13797	2.8
197.13216	2.0
199.14919	1.0
201.16479	1.1
205.12369	1.2
211.14833	0.9
213.14714	1.0
215.14235	1.1
229.14360	2.4
229.19576	1.9
233.15430	1.1
237.16345	0.7
239.17902	2.0
243.15880	0.7
243.21040	1.5
247.20578	1.5
257.19025	4.8
259.20587	2.6
261.22113	4.8
267.16043	1.1
269.17413	8.3
275.20078	16.6
289.18286	0.8
289.21603	1.0
293.21127	1.2
297.22397	0.8
307.22653	0.8
315.23212	1.0
317.24872	1.1
321.16843	1.2
326.55527	0.7
327.23233	0.7
331.22675	2.2
333.24277	1.3
335.25800	64.7
336.26215	0.8
337.27396	0.8
339.18094	2.1
349.23764	18.1
349.27350	0.8
363.25360	2.2
369.24081	1.5
381.26361	3.4
387.25424	0.9
395.21069	1.2
405.26279	1.3
413.21689	9.2
431.31708	0.8
437.34543	0.9
461.28989	0.9
462.31326	0.8
489.35635	4.2
511.37967	1.0
515.37256	2.4
529.38885	100.0
530.38818	2.6
531.40137	0.8
547.16473	0.7
553.38654	0.9
569.42035	8.3
595.40631	0.9
599.39117	1.0
609.45154	39.2
610.45184	1.1
613.41010	1.2
627.46271	5.8
637.40576	2.1
641.47864	15.0
655.41931	2.6
673.43121	11.1
691.44177	3.3
771.49860	1.0
803.53546	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.0
61.52766	0.9
63.22942	0.9
65.03931	2.9
67.05507	72.8
69.03444	6.5
69.07072	33.3
69.97005	3.7
69.97419	1.7
71.04993	14.4
71.08633	1.3
73.02906	2.0
73.06548	1.7
77.03922	1.1
79.05496	62.8
81.03424	12.0
81.07058	100.0
83.04986	13.6
83.08622	25.2
85.02903	6.0
85.06551	4.7
91.05483	56.9
91.92813	1.1
93.07045	60.8
95.04368	1.7
95.04971	21.1
95.08609	41.6
97.02897	3.7
97.06529	15.1
97.10168	13.0
99.04431	2.6
99.08089	3.2
103.05465	2.4
105.04497	2.3
105.07031	50.4
107.04955	13.5
107.08595	39.8
108.08897	1.1
109.02872	1.9
109.06525	14.2
109.09477	1.5
109.10159	19.0
111.04457	6.6
111.08072	8.9
113.09645	3.7
115.05416	3.2
117.07014	23.5
119.08586	40.5
121.06535	9.8
121.10157	23.7
121.11027	1.3
123.08076	10.4
123.11687	6.6
125.09631	9.7
127.03900	3.3
128.06187	3.1
129.06985	11.4
131.04907	1.4
131.08574	31.2
133.06491	4.0
133.10132	35.3
135.08047	9.5
135.11697	19.6
137.09636	6.1
137.13197	1.4
139.11179	2.3
141.06982	2.2
142.07767	1.5
143.08527	8.5
144.35103	1.0
145.06493	2.7
145.10124	25.8
147.08018	5.1
147.11687	20.8
149.09624	16.5
149.13255	12.2
151.11179	3.3
153.09103	1.7
153.12758	2.2
155.08551	6.2
157.10139	9.9
159.08032	3.1
159.11705	18.7
161.09641	4.4
161.13275	8.1
163.11191	15.8
163.14891	1.9
165.09084	2.0
165.12762	3.0
167.08505	1.1
169.10152	5.4
171.11707	6.5
173.04440	1.7
173.09601	1.2
173.13258	8.9
175.11212	4.6
175.14832	3.7
177.12717	5.7
179.14343	3.0
181.10121	2.9
181.12193	3.5
183.11636	7.0
184.07401	2.7
184.38728	1.1
185.13283	4.3
187.11134	2.8
187.14870	2.9
189.11220	4.9
189.12772	2.1
191.10675	2.5
193.12239	2.5
195.11731	2.6
195.13831	4.1
197.13293	4.7
199.11180	1.7
199.14807	2.5
201.16385	1.8
209.13309	1.6
211.14761	1.3
213.12749	1.3
213.16447	1.9
223.13104	1.2
223.20879	1.1
227.12744	6.4
229.14384	3.3
229.19482	3.1
233.15416	2.3
239.17923	3.7
245.19077	1.9
247.20621	2.5
251.16403	1.4
253.14383	1.9
255.15936	4.3
257.19034	9.1
259.20566	8.1
261.22198	2.6
267.15851	2.5
269.17496	23.9
273.18427	4.9
275.20068	38.3
289.18051	1.2
291.19553	12.3
293.21231	5.4
309.20605	2.0
315.23441	1.8
317.24866	1.2
331.22626	2.9
333.24255	10.9
335.25839	22.5
342.75403	1.2
347.22177	1.7
349.23749	42.9
365.23242	5.5
367.24802	13.7
381.26352	4.7
383.24564	5.1
413.21588	2.0
423.27542	1.4
445.29514	3.5
449.29050	10.2
451.31808	1.3
463.30450	12.1
469.32874	1.4
487.33789	1.2
503.33728	2.0
513.35413	1.5
515.37109	3.2
525.35535	4.4
529.38129	10.2
531.38013	1.8
541.34778	1.4
543.29517	2.2
543.36932	25.3
549.39014	1.5
561.37659	5.9
567.40527	1.5
575.39349	3.9
605.41943	2.9
607.34705	2.2
609.45190	6.4
623.43030	30.6
627.46509	5.6
641.44092	23.6
655.45233	4.9
673.46790	12.6
705.41351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.4
61.03224	0.7
64.00639	0.7
65.03934	5.0
67.05508	85.0
69.03430	11.4
69.07071	39.3
71.01344	1.5
71.04994	17.3
71.08636	1.2
73.02920	2.3
73.06543	2.6
77.03911	1.9
79.05496	74.4
81.02939	0.8
81.03422	18.6
81.07060	100.0
83.04987	17.1
83.08622	22.1
85.02911	7.0
85.06544	5.5
86.09724	1.2
87.04474	1.0
91.05485	75.8
93.07047	72.9
95.04976	22.5
95.08610	45.6
97.02901	5.1
97.06538	18.6
97.10181	14.2
98.19857	0.7
99.04462	2.8
99.08109	5.5
103.05480	2.8
105.04529	2.8
105.07036	59.0
106.07375	0.8
107.04967	14.1
107.08595	45.0
109.02897	2.4
109.06535	11.9
109.09475	1.4
109.10164	21.5
111.04461	6.0
111.08093	9.0
113.09654	4.5
115.05422	3.1
116.06236	1.2
117.07023	28.5
119.08585	45.6
121.06517	8.7
121.10149	21.7
121.11016	0.9
123.04420	0.9
123.08076	12.3
123.11713	5.8
125.00018	1.3
125.05909	1.0
125.09633	9.1
127.03943	3.6
128.06218	3.9
129.05490	2.6
129.07021	13.5
130.07779	2.5
131.04930	1.2
131.08580	34.5
132.92082	0.8
133.06506	4.1
133.10132	38.6
135.08075	9.5
135.11694	19.0
137.09622	7.0
139.07478	0.9
139.11188	1.7
141.06941	4.8
142.07777	2.7
143.08566	14.0
144.09267	1.1
145.06508	3.6
145.10127	25.7
147.08051	6.7
147.11691	21.6
149.09633	15.1
149.13268	11.5
151.07625	1.1
151.11180	5.0
153.07007	1.2
153.09148	1.5
153.12790	2.1
154.07816	1.1
155.08551	8.4
156.09349	1.1
157.10136	11.9
159.08072	1.8
159.11703	19.3
161.09685	4.7
161.13251	9.9
163.07622	0.8
163.11183	14.3
163.14813	2.3
165.07114	0.8
165.09177	1.8
165.12817	3.6
167.08630	2.2
169.10124	6.8
171.07996	1.2
171.10175	1.9
171.11644	10.5
173.04515	3.5
173.09599	2.9
173.13226	9.3
175.11221	4.4
175.14839	3.3
177.12750	6.9
179.08530	1.0
179.10669	0.8
179.14352	3.6
181.10139	2.6
181.12236	3.2
183.11688	6.6
184.07355	2.4
185.09691	1.7
185.13220	6.7
187.11201	3.1
187.14857	3.5
189.11246	6.4
189.12746	2.3
191.10721	2.2
191.14342	1.8
193.10284	1.3
193.12268	4.0
195.11708	3.1
195.13831	3.3
197.13257	5.6
199.11174	1.2
199.14857	3.9
201.12766	1.9
201.16391	1.3
203.14290	1.3
205.12170	1.3
205.15865	0.9
207.11815	1.2
207.13818	1.2
209.13281	2.9
211.14899	2.1
213.12914	1.6
213.14662	0.9
213.16478	1.6
215.14452	1.1
215.17886	1.3
217.16060	1.4
219.13782	1.0
219.17514	1.2
221.13290	1.4
223.13210	2.2
225.16484	1.4
227.12665	6.2
227.17969	1.2
229.14293	2.1
229.19550	2.6
231.17430	1.7
233.15411	1.1
235.16948	1.1
237.16554	1.3
239.17972	3.6
241.19592	4.2
245.18971	1.3
247.20567	2.3
253.14355	3.6
255.15677	5.1
257.19019	9.0
259.20599	12.8
267.15875	4.6
269.17456	18.0
271.17108	1.0
273.18509	6.6
275.16901	1.2
275.20065	35.7
276.20392	1.2
277.21542	1.2
283.15845	1.0
283.19077	1.4
285.14719	1.1
287.20151	1.0
289.18237	1.0
291.19550	14.2
293.17981	1.2
293.20969	5.3
303.15869	1.4
307.22556	0.9
309.20694	3.2
313.21698	1.4
313.45053	0.8
315.23074	1.5
325.21774	0.9
331.22726	3.1
333.24274	16.2
335.18594	1.1
335.25742	2.5
347.22202	1.5
349.23758	29.6
351.25482	0.9
353.24548	1.0
365.23303	4.4
367.24854	5.5
381.26407	2.2
383.24380	4.8
389.26993	0.9
395.20624	0.9
413.21881	1.6
417.30054	0.9
423.27426	1.5
431.27945	3.0
433.31174	1.0
445.29431	3.4
449.29117	9.4
463.30688	12.9
469.33118	1.4
477.32681	0.9
479.30386	1.0
499.34576	0.9
503.33481	2.7
511.34131	1.7
513.36023	2.3
515.37823	4.0
525.35712	5.8
527.36829	2.1
529.35193	5.6
531.37988	1.2
543.36804	29.9
547.36255	1.7
549.39069	1.2
561.37854	6.2
567.39575	1.1
575.39716	3.7
589.33502	0.9
593.33136	1.0
595.43188	1.2
605.41504	2.6
609.44470	1.0
623.43054	22.9
627.45972	1.6
641.44086	14.9
655.45337	1.7
659.44427	2.7
673.46252	1.8
687.40930	1.1
705.41528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.7
66.89598	0.7
67.05510	38.3
69.03436	3.0
69.07074	24.1
69.07396	0.5
69.07461	0.9
70.06609	0.7
71.04985	4.2
73.02927	1.3
76.81831	0.6
79.05500	43.7
80.18786	0.7
81.03428	9.7
81.07059	42.6
83.04986	13.0
83.08627	27.3
85.02919	4.5
85.06544	2.8
86.09671	0.6
87.68645	0.7
87.94099	0.8
91.05486	34.0
93.07050	35.7
95.01355	1.4
95.04974	49.6
95.08611	20.7
97.02901	2.6
97.06538	7.8
97.10174	14.1
98.21575	1.2
99.00832	3.1
99.04446	4.4
99.08101	1.7
103.05461	1.7
104.42849	0.6
105.04556	1.6
105.07037	31.5
107.04948	16.4
107.05630	1.1
107.08601	29.7
108.08913	0.8
109.02893	3.6
109.06526	10.2
109.10171	11.9
111.04443	10.8
111.08097	6.8
115.03934	0.8
115.05464	2.5
117.07024	13.7
119.06154	0.8
119.08591	24.2
121.06527	10.2
121.10157	15.6
121.11033	1.0
122.07285	0.7
123.04457	3.0
123.08073	6.0
123.11734	2.8
125.06046	1.1
125.09631	12.1
127.03924	0.7
128.06236	1.4
129.07022	6.0
130.07764	1.0
131.04979	0.9
131.08582	15.3
133.06487	3.3
133.10138	21.2
133.11096	1.3
135.08070	12.1
135.09023	1.2
135.11705	10.4
137.06029	0.9
137.09605	4.5
137.13269	0.6
139.11185	1.8
141.07008	1.9
142.07822	1.0
143.08623	4.2
143.10623	0.9
145.06516	4.2
145.10144	20.1
147.08061	6.1
147.11710	8.4
149.09630	22.1
149.13284	1.5
151.11208	4.2
153.09120	3.5
153.12741	3.8
155.08572	1.6
157.10185	3.1
159.08083	3.5
159.11714	8.0
161.09627	7.1
161.13329	2.1
161.91701	0.8
163.07565	5.0
163.11189	24.0
163.12558	1.2
165.09209	1.4
165.12770	3.0
169.10226	3.3
171.08116	1.3
171.10260	1.6
171.11746	2.2
173.09666	3.9
173.11856	1.1
173.13129	3.3
175.11169	3.1
175.14854	0.9
177.12753	3.3
179.10728	2.9
181.10132	0.9
181.12277	2.7
183.11720	1.9
184.07417	0.6
185.13326	1.7
187.11278	3.3
187.13397	0.7
187.14899	1.1
189.09416	1.1
189.11224	9.8
189.12746	1.4
191.10718	2.6
193.12268	13.6
197.11713	0.8
197.13333	2.4
199.14880	0.8
201.12796	1.5
205.12300	4.6
211.13254	1.8
211.14949	1.1
215.14445	0.9
219.13896	0.8
223.13293	26.6
227.12788	6.1
229.19661	2.4
229.30820	0.9
239.18030	4.2
243.17543	1.8
247.20657	1.8
249.14847	0.7
253.16203	0.7
257.19003	5.3
261.18573	2.7
271.17007	4.3
273.18573	1.7
275.20074	44.7
276.20352	0.9
283.15421	5.2
289.17975	18.1
291.19614	2.9
293.17819	1.6
293.21140	32.2
307.19043	4.8
311.22388	1.6
331.22903	0.9
345.20850	0.8
347.22375	1.3
349.23764	24.5
363.21777	8.7
365.23318	1.7
367.24814	51.2
368.25311	0.8
379.26865	0.7
381.22736	86.6
382.23218	0.7
463.30573	1.0
519.33636	0.7
541.35382	0.6
557.34631	3.8
559.36346	1.2
563.37341	1.1
575.36017	2.7
581.38373	1.7
583.35620	0.8
599.39374	0.8
637.41052	9.7
655.42114	42.9
656.42773	0.8
673.43146	100.0
674.43353	3.2
691.44250	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	870.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.2
65.03931	3.4
67.05507	56.8
68.03403	0.9
69.03435	5.2
69.07072	35.6
70.69205	1.1
70.69531	1.8
71.01322	1.0
71.04986	4.6
71.05722	0.7
73.02925	1.3
77.03945	1.1
79.05496	52.9
81.02996	1.0
81.03427	12.9
81.07059	70.6
83.01334	0.8
83.04498	1.1
83.04980	14.5
83.08622	44.6
85.02919	4.8
85.06528	3.3
86.09686	0.9
91.05482	57.6
93.03400	0.9
93.07044	52.7
95.01311	2.5
95.04373	1.4
95.04974	27.0
95.08610	36.0
97.02895	4.5
97.06535	11.6
97.10180	15.9
99.00806	3.0
99.04449	1.6
99.08083	2.3
103.05448	1.7
105.03408	1.0
105.04509	1.8
105.07035	54.2
107.04962	26.4
107.08595	38.5
109.02895	6.1
109.06516	14.4
109.10162	20.4
111.04440	6.1
111.08075	12.8
113.06017	2.0
115.03953	0.9
115.05464	2.7
115.54598	0.8
117.06232	1.5
117.07022	22.9
119.04912	2.1
119.08584	40.3
121.06514	12.4
121.09335	1.3
121.10148	22.3
123.04414	3.9
123.08067	11.0
123.11701	4.9
125.06016	1.2
125.09637	16.5
128.06216	2.4
129.05455	1.1
129.07014	7.0
130.07788	2.2
131.04932	2.2
131.07607	1.6
131.08572	24.9
133.06490	4.5
133.10133	40.9
133.92451	0.8
135.04375	1.1
135.08057	20.3
135.11697	13.1
137.05939	1.4
137.08672	1.0
137.09621	10.7
139.07545	2.6
139.11183	3.4
141.06960	2.7
142.07796	1.1
143.08565	9.9
145.06483	5.0
145.10132	28.9
147.08064	8.0
147.11682	17.2
149.09616	26.0
149.13277	3.8
151.07506	1.2
151.11189	9.1
153.09117	3.3
153.12717	3.4
155.08574	4.7
157.10120	7.3
159.08063	6.3
159.11690	14.8
161.09631	12.6
161.13254	4.4
163.07542	7.3
163.11177	29.6
165.09061	1.5
165.12767	7.3
167.08507	1.1
168.09349	0.9
169.10135	6.5
171.07983	2.3
171.10298	1.9
171.11684	5.3
173.09631	6.4
173.13255	7.8
175.11198	4.3
175.14812	1.4
177.12740	5.2
179.10681	3.7
179.14287	1.6
181.12257	2.6
183.11710	4.2
184.07318	2.2
185.11757	1.3
185.13280	3.1
187.11174	3.3
187.14873	2.0
189.09126	1.1
189.11211	5.3
189.12752	2.2
191.10698	4.1
191.14340	2.2
193.12248	19.5
197.13210	4.1
199.14813	1.2
201.12692	2.2
201.16331	1.0
205.12215	2.4
207.13934	1.5
211.13127	1.2
211.14922	1.8
213.16444	1.8
215.14430	1.2
215.17914	2.1
219.13837	1.0
223.13332	2.6
227.12727	6.1
229.15938	1.5
229.19476	3.9
239.17987	7.3
243.17409	2.2
247.20615	2.7
247.73828	0.9
249.15056	0.9
253.14256	1.2
257.18997	11.9
261.18494	2.7
267.15778	1.0
269.17386	1.1
271.16953	5.2
273.18469	3.4
275.20062	76.2
276.20587	1.3
283.15540	3.9
289.17978	21.1
291.19464	4.1
293.21149	11.4
307.18997	7.3
331.22577	1.5
349.23743	61.4
350.24011	1.1
363.21680	11.1
365.23300	2.3
367.24799	38.0
381.22733	100.0
382.23087	1.6
519.32800	0.9
526.56519	0.9
527.33783	1.1
545.34491	1.7
557.34589	2.7
563.37250	1.6
575.35419	3.0
581.38123	2.3
599.38989	1.5
637.40894	12.9
641.43610	1.0
655.42035	73.1
656.41876	2.8
673.43103	84.0
674.43188	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	870.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.7
65.03929	5.9
67.05510	88.2
69.03432	9.1
69.07072	41.0
70.06573	4.0
71.01344	2.4
71.04989	7.9
71.51885	2.7
73.02899	1.6
77.03936	1.8
79.05498	81.3
80.06258	1.4
81.03425	21.4
81.07059	100.0
83.04984	26.5
83.08152	2.1
83.08619	24.8
85.02889	6.5
85.06535	6.3
86.09708	2.9
91.05486	77.6
92.06245	1.5
93.07050	76.3
95.04974	46.3
95.08613	44.6
96.05312	1.5
97.02900	8.4
97.06539	22.8
97.10175	17.2
98.07285	1.7
99.00815	2.1
99.04406	3.4
99.08091	3.7
103.05459	4.1
104.06314	1.6
105.03348	2.2
105.04505	2.8
105.07038	58.2
106.07372	1.4
107.04961	33.1
107.08601	50.3
108.05758	2.9
109.02880	5.8
109.06529	22.8
109.10162	26.0
111.04440	11.1
111.08080	12.2
112.05209	2.1
113.05967	3.4
115.05462	4.1
117.07028	29.4
119.04961	4.6
119.08591	45.0
120.08895	1.6
121.06535	18.7
121.10162	22.5
122.07279	4.8
123.04446	8.4
123.08070	13.9
123.11733	6.9
125.05990	3.6
125.09640	15.6
127.03883	4.3
128.06245	7.5
128.68077	1.5
129.07019	13.2
130.07806	2.5
131.04849	1.8
131.08582	28.6
133.06497	12.4
133.10138	35.3
135.04390	2.6
135.08073	20.1
135.11687	22.9
137.05925	3.6
137.09631	8.3
139.07463	1.6
139.11108	2.0
141.06964	5.7
143.08557	12.3
145.06517	11.2
145.10139	23.6
147.08046	16.9
147.11694	15.0
149.09610	19.2
149.13252	12.2
151.07596	1.9
151.11165	6.6
153.09171	3.6
153.12727	3.5
155.08542	5.2
157.06378	1.7
157.10094	8.4
159.08078	8.3
159.11703	18.4
161.09619	13.7
161.13263	5.9
163.07541	6.4
163.11182	18.5
165.09122	3.1
165.12743	2.1
167.08606	2.0
167.10681	1.7
169.10114	6.4
171.08038	3.2
171.10272	1.2
171.11650	7.1
173.09628	5.2
173.13237	3.7
175.11209	5.5
175.14890	2.0
177.09149	2.1
177.12767	8.2
179.10696	4.4
179.14279	1.6
181.12268	2.2
183.11630	4.0
184.07356	6.3
185.09671	1.6
185.13268	4.2
187.11159	5.2
187.14769	3.7
189.09137	1.8
189.11206	7.9
189.12715	2.6
191.10699	3.4
191.14368	1.8
193.12234	13.2
195.13760	6.0
197.13219	3.5
201.12802	1.8
201.39500	1.4
203.10558	1.5
203.14375	2.6
205.12270	3.1
205.15825	2.7
207.13745	3.2
211.11336	1.5
213.12904	1.6
215.14354	2.7
217.15846	2.0
219.13777	2.5
219.17593	1.4
223.13281	6.2
227.12793	9.1
227.18150	1.9
229.14244	2.2
233.15414	3.5
239.17955	2.4
243.17433	3.9
247.20529	3.2
253.14258	2.8
255.15817	8.3
257.18973	6.4
261.18420	4.2
267.15802	3.8
269.14902	1.1
269.17453	26.2
271.16876	7.4
273.18527	14.5
275.20081	32.5
279.15887	3.0
283.15363	2.5
289.17944	28.0
290.18735	3.9
291.19562	12.4
293.21140	7.5
297.17093	1.6
307.18915	7.8
313.21622	1.8
323.18472	2.8
331.22672	1.7
335.18481	1.5
347.22174	4.9
349.23755	25.2
363.21698	12.0
365.23172	7.8
367.24820	12.0
381.22742	68.5
383.24271	2.1
413.21857	2.5
449.28903	2.9
465.30115	2.0
480.72992	1.5
503.33377	2.1
539.33472	2.7
543.33392	3.3
557.34741	18.2
561.34229	16.2
575.35815	66.6
576.35559	2.4
597.37189	2.1
615.38739	2.1
619.40155	2.2
621.41309	5.2
637.40869	9.8
638.40997	2.6
639.42316	4.8
655.42017	37.4
656.42328	2.8
673.25861	2.0
673.43066	28.2
833.04553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.6
67.05510	53.4
69.03442	8.4
69.07074	17.8
69.21452	12.6
70.06597	20.5
71.01359	3.1
71.04995	6.1
72.08153	2.7
73.02911	1.9
74.06086	1.4
79.05500	59.3
80.06280	1.4
81.03426	15.5
81.07063	100.0
83.04985	20.1
83.08199	1.9
83.08630	13.4
84.04515	3.8
85.02926	6.0
85.06543	4.9
86.09707	11.5
91.05486	46.8
93.06480	2.4
93.07053	36.7
93.07635	1.9
95.04976	34.6
95.08611	24.7
96.05755	2.7
97.02892	7.4
97.06561	10.6
97.10178	14.0
99.03812	1.2
99.04432	2.9
99.08084	2.2
103.05494	3.2
105.04517	1.9
105.07043	38.4
107.04965	32.7
107.05634	2.6
107.08604	24.0
109.02882	3.3
109.06526	46.5
109.10160	18.2
111.04456	14.6
111.08106	8.0
112.05276	1.7
113.06009	4.2
115.05461	5.1
116.04713	2.3
116.06242	2.4
117.07031	22.3
119.04960	4.2
119.07816	2.7
119.08596	34.0
120.08090	2.1
121.06502	13.2
121.10150	15.1
122.07317	6.3
123.04441	4.5
123.08071	13.9
123.11699	2.3
125.06028	3.0
125.09643	13.3
127.03950	2.1
128.06218	4.8
129.05481	4.6
129.07043	12.3
130.07828	2.1
131.04947	2.4
131.08566	22.4
133.06483	12.5
133.10130	18.3
135.04422	1.7
135.08054	17.2
135.11699	11.1
136.07582	1.4
137.06032	2.0
137.09633	10.3
139.11183	2.1
141.06999	3.4
141.10242	2.6
142.07780	2.5
143.06973	1.3
143.08586	9.1
145.06503	9.0
145.10146	19.6
147.08072	21.4
147.11710	8.0
148.08888	1.3
149.06010	1.4
149.09647	12.4
149.13231	3.1
151.07550	2.1
151.11183	2.7
153.09099	4.5
153.12793	3.3
155.08585	3.4
157.06517	2.2
157.08788	1.6
157.10129	8.4
159.08073	5.6
159.11729	8.7
161.09641	15.9
161.13332	1.6
163.11197	14.7
165.09105	6.6
167.08592	1.7
169.10031	4.6
169.13409	3.1
171.10301	1.6
171.11659	5.9
173.09621	5.2
173.11833	1.5
173.13261	3.8
175.07579	1.5
175.11220	6.4
177.09166	1.7
177.12747	3.2
181.10048	2.5
181.12259	5.8
183.11584	2.3
185.09517	1.9
185.13219	3.5
187.11147	4.3
187.14871	2.4
189.11224	6.7
189.12726	2.9
191.10701	4.9
191.14351	1.5
193.12273	3.8
195.11655	2.3
197.13123	2.7
199.11221	1.7
203.14441	3.1
205.12238	2.2
205.15900	1.4
209.11760	1.7
215.14371	3.1
217.15857	2.9
223.13312	3.3
227.12735	8.5
227.17845	1.6
229.14418	4.4
233.15366	4.8
241.14409	1.3
245.19064	2.2
249.14986	3.6
255.17578	3.2
261.14914	2.0
267.15656	1.7
271.16980	3.0
273.15497	1.9
273.18497	38.9
275.20084	4.7
279.15915	2.5
289.18008	8.0
290.18665	7.4
291.19562	66.5
307.19095	5.0
309.20605	1.9
325.20020	1.5
335.18710	2.0
347.22226	15.6
349.23746	2.4
363.21783	3.9
365.23236	23.1
381.22839	17.2
383.24142	6.9
399.23831	6.2
519.33112	3.3
544.37103	1.8
557.34375	1.9
559.35962	1.5
597.38184	2.5
613.37384	1.7
625.37079	1.4
637.40497	6.8
643.37561	1.7
653.40271	5.6
655.41351	3.8
671.41528	18.1
689.42426	13.8
781.56787	1.4
869.42963	5.9
869.65271	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	868.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.2
65.03938	4.0
67.05510	90.1
69.03431	10.0
69.07072	43.0
71.04992	10.1
71.52995	2.5
73.02924	2.5
79.05499	79.3
80.05844	2.6
81.03411	15.4
81.07061	100.0
83.04981	12.9
83.08627	24.2
85.02905	9.3
85.06542	8.0
86.09702	7.6
91.03959	3.7
91.05486	82.4
93.07048	85.8
95.04975	21.0
95.08611	55.2
97.02879	11.9
97.06542	20.2
97.10175	7.9
99.04408	2.7
99.08089	6.1
103.03928	2.7
103.05434	3.9
105.04522	3.4
105.07037	71.0
106.44616	2.4
107.04963	12.7
107.08597	56.6
109.02867	2.9
109.06531	12.4
109.10175	23.9
111.04487	3.3
111.08093	9.9
115.05508	3.5
117.07024	31.4
119.08577	62.8
121.06516	6.0
121.10144	32.4
123.08096	9.4
123.11733	7.9
125.00035	3.3
125.09628	6.8
127.03892	3.7
128.06215	5.3
129.05508	3.4
129.07010	18.4
131.08586	38.4
133.06496	4.4
133.10138	62.4
135.08052	11.5
135.11691	30.4
137.09604	10.3
141.07013	6.1
141.15178	2.2
142.07817	3.7
143.08565	19.7
145.05002	4.0
145.10133	46.1
147.08026	7.2
147.11694	40.5
147.28911	2.2
149.09634	13.4
149.13258	18.2
151.11186	5.3
153.12769	2.4
155.08580	8.5
156.09288	2.7
157.10098	18.6
159.08107	4.4
159.11693	30.5
161.09628	4.2
161.13272	20.5
163.11180	9.7
165.12788	4.0
167.08655	3.6
169.10103	11.1
171.08188	2.7
171.11707	20.4
173.04457	2.4
173.09595	4.0
173.13216	17.0
175.11162	7.5
175.14848	10.1
177.12782	6.7
179.08563	2.6
179.14423	2.9
181.10165	3.7
181.12190	3.2
183.11737	9.0
184.07394	11.4
185.13216	12.0
187.14833	7.8
189.12720	3.8
189.16440	4.9
195.11739	5.8
195.13799	6.8
197.13249	8.8
199.14845	7.1
201.12822	2.9
201.16368	4.7
203.14301	2.6
207.11780	2.5
209.13245	6.0
211.14798	5.8
213.16466	3.0
215.18074	3.3
221.13293	2.6
223.14955	5.5
225.16512	4.3
227.12801	2.8
231.21057	5.8
235.16809	3.2
237.16466	3.4
239.17990	4.6
241.19554	21.3
245.19267	3.5
253.14435	7.1
255.15724	14.4
257.18976	14.2
259.20584	63.9
261.22128	3.2
263.20169	2.8
267.15820	11.2
269.17490	27.8
271.20419	2.8
273.18488	7.6
275.20059	36.3
276.20474	3.9
277.21652	5.1
287.20483	2.4
289.17844	3.2
291.19479	4.5
293.21286	3.0
301.21732	3.6
313.21805	3.3
315.23145	9.0
321.23849	3.0
333.24258	69.2
335.25851	6.9
339.23090	4.9
347.22162	4.1
349.23737	31.5
351.25256	3.1
365.23282	6.1
367.25058	11.9
417.31262	3.5
421.30829	2.7
435.32465	6.4
453.33606	7.0
471.34387	2.3
474.33057	2.7
487.34290	3.9
489.35785	3.9
497.36490	5.0
501.35922	2.3
509.36154	3.3
513.35785	30.7
515.38037	9.9
517.38043	3.2
525.35217	6.5
527.37280	62.5
531.36499	5.2
533.39709	7.9
541.35120	4.9
543.36652	5.4
545.38062	10.2
589.41687	3.8
597.45361	2.4
607.43628	46.7
621.41309	5.0
624.43530	4.5
625.44531	55.3
626.44543	4.4
639.42322	4.0
642.45020	4.6
643.45032	3.8
653.41339	4.1
671.41125	4.1
689.42517	3.1
739.40527	2.7
826.19489	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	868.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.1
65.03930	4.8
67.05508	53.0
67.17373	1.4
69.03426	4.2
69.07072	26.6
69.23340	1.6
71.04990	6.0
71.53192	2.7
79.05495	51.1
81.03414	16.9
81.07057	58.2
83.04980	12.1
83.08621	29.8
85.02900	3.1
85.06534	3.7
91.05486	61.5
93.07048	60.3
95.04967	38.9
95.08614	36.3
97.06542	11.0
97.10165	13.1
99.08104	3.4
105.04501	2.2
105.06304	3.2
105.07028	60.7
107.04957	15.7
107.08601	38.0
109.06528	12.4
109.10159	17.6
111.04442	9.2
111.08086	6.4
113.09623	2.3
115.05499	3.1
117.07023	24.7
119.08587	46.8
121.06541	7.7
121.10143	25.3
123.08071	6.4
123.11737	4.3
125.00011	1.6
125.09647	11.0
128.06186	3.3
129.07011	9.9
130.07777	3.2
131.08582	28.9
133.06482	4.7
133.10139	45.5
135.08063	12.5
135.11690	14.2
137.09618	5.0
141.06970	3.8
142.07866	2.3
143.08565	9.3
145.06552	2.6
145.10129	29.8
147.08076	7.4
147.11700	30.5
149.09622	18.2
149.13269	10.8
151.11205	3.3
153.12775	1.6
155.08572	3.0
157.10146	12.7
159.08057	3.0
159.11694	21.6
161.09625	5.7
161.13264	18.5
163.11171	21.0
163.14874	2.8
165.12726	4.6
169.10146	4.8
171.11710	11.3
173.09756	2.6
173.11963	2.1
173.13205	9.9
175.11214	5.7
175.14825	8.5
177.12776	5.0
179.14313	5.0
183.11688	5.0
184.07356	8.2
185.13268	6.4
185.83594	1.6
187.11131	5.9
187.14857	3.5
187.52745	1.6
189.11241	8.0
189.12758	3.0
191.10703	1.9
191.14366	2.0
193.12250	4.5
197.13309	4.3
199.14793	6.1
205.12206	2.9
213.16460	2.2
217.19678	2.3
219.17557	2.3
223.13264	25.6
223.15158	2.2
227.12811	4.5
227.18027	3.1
229.19562	3.8
231.21071	4.0
237.16614	1.8
239.17996	3.9
241.19542	23.7
247.20668	2.6
253.14348	5.0
255.17542	2.7
257.18973	11.9
259.20596	54.2
267.15976	7.2
273.18600	9.4
275.20093	63.0
277.21588	2.5
279.15720	1.9
289.17896	2.3
291.19650	11.9
293.21109	31.2
315.23141	8.5
333.24252	88.2
335.25775	3.8
347.15271	1.9
347.22107	5.2
349.17096	2.1
349.23755	35.1
365.23447	8.5
367.24799	41.2
397.26132	2.8
423.32538	2.3
475.85059	2.1
497.36169	2.5
499.34378	5.3
513.35486	2.2
515.38165	3.5
533.40277	2.6
541.35358	23.8
548.45898	1.8
559.35974	7.5
573.37787	7.4
588.48364	1.8
607.43549	26.7
621.41248	4.7
625.44672	100.0
639.42706	10.2
643.45361	4.7
671.44806	8.8
790.34888	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	868.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.0
63.15277	1.7
65.03938	3.2
67.05505	61.7
69.03434	5.5
69.07074	25.1
71.05008	9.2
73.02898	2.0
79.05495	55.4
81.03432	11.7
81.07058	78.6
83.04980	15.5
83.08618	16.4
85.02937	4.8
85.06561	2.9
86.09689	3.9
91.04912	2.7
91.05484	56.3
93.07048	51.4
95.04982	23.8
95.08609	39.6
97.02928	3.0
97.06525	12.7
97.10172	13.7
99.04454	3.0
99.08118	4.9
103.05467	3.8
103.33535	1.9
105.07033	49.3
107.04983	17.3
107.08598	30.4
108.07038	1.9
109.06496	14.4
109.10161	22.0
111.04459	5.8
111.08088	6.5
113.06035	2.2
113.09634	2.0
115.05455	3.4
117.07027	22.1
119.08594	36.0
121.06516	8.6
121.10146	19.2
121.69027	2.0
123.08096	10.3
123.11720	5.7
125.00024	2.7
125.06005	2.6
125.09634	11.4
128.06198	3.3
129.05536	2.3
129.07008	11.1
130.07843	3.3
131.08572	23.9
133.06503	4.9
133.10133	31.6
135.08060	8.7
135.11655	14.5
137.09612	6.0
139.11206	2.9
141.07011	4.8
143.08597	10.4
145.06487	5.2
145.10153	18.6
147.08047	9.7
147.11688	16.7
149.05939	2.0
149.09618	11.6
149.13271	8.2
151.07597	2.1
151.11201	7.1
153.09114	4.1
153.12729	2.6
155.08585	4.2
157.10150	10.5
159.08104	5.7
159.11722	12.6
161.09595	11.5
161.13261	9.0
163.11182	13.0
165.09180	3.3
165.12666	2.4
169.10139	3.3
171.11696	7.3
173.09648	4.1
173.13268	8.1
175.11176	4.3
175.14848	3.6
177.12810	3.3
179.14221	2.5
181.12340	2.9
183.11687	3.3
184.07373	12.6
185.13185	3.7
187.11115	2.9
187.14835	2.5
189.11247	11.2
189.12712	3.3
191.10599	3.2
193.12228	6.0
195.11751	2.9
197.13185	2.8
211.13272	3.1
223.13257	4.5
227.12759	13.6
231.17403	2.2
233.15378	2.6
241.19516	3.0
243.21239	2.8
245.19130	3.0
253.14369	12.8
257.19064	3.0
259.20569	13.6
261.22153	9.9
273.18494	35.2
275.20007	12.3
283.15485	4.5
289.17944	4.6
291.19547	50.7
307.18961	3.2
309.20786	8.9
309.88678	1.9
315.23224	2.0
317.24915	3.0
333.24219	17.9
335.25800	100.0
347.22226	13.8
349.23935	4.6
363.21829	3.6
365.23221	42.1
367.24670	2.5
381.22742	8.2
383.24338	19.1
489.35272	2.8
505.35580	4.7
515.38269	2.5
541.34906	8.5
551.40820	3.7
559.36389	19.4
569.40198	2.5
581.38086	2.3
607.44000	9.1
621.41895	10.3
625.44617	60.2
626.44745	2.2
638.32410	2.1
639.42456	25.5
640.99976	2.3
643.35657	3.4
643.45758	38.4
657.42834	3.4
671.45764	2.4
868.56750	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	868.5785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28180	3.0
65.03935	4.0
67.05507	76.5
67.05843	6.2
69.03422	6.9
69.07065	27.6
69.32972	28.8
71.04996	7.1
79.05491	66.4
81.03425	15.7
81.07063	100.0
83.04993	17.5
83.08620	23.5
85.02927	4.5
86.09724	8.7
91.05482	70.9
93.07044	70.5
95.04988	23.3
95.08613	46.0
97.02887	4.4
97.06548	14.6
97.10182	10.9
99.08121	3.4
105.07047	58.8
107.04981	22.7
107.08598	39.6
109.06535	14.4
109.10164	33.7
111.08106	6.5
115.05457	5.2
117.07023	20.2
119.04919	3.7
119.08597	39.9
119.28867	3.2
121.06524	12.7
121.10141	26.0
123.08079	14.9
123.11703	8.2
124.08649	3.1
125.09660	10.6
129.07036	11.6
131.08563	33.8
133.06534	6.8
133.10136	41.6
135.08078	11.8
135.11716	18.7
137.09645	10.9
138.82393	3.2
139.11220	4.7
141.06961	4.7
143.08604	15.3
145.10133	22.6
147.08073	13.0
147.11661	20.3
149.09657	16.2
149.13289	8.3
151.11209	11.0
155.08527	5.5
157.10153	14.4
159.08109	4.1
159.11687	17.9
161.09630	10.4
161.13274	11.1
163.11224	15.4
169.10132	7.4
171.11659	7.5
172.93083	3.8
173.13326	9.6
175.11310	5.7
175.14789	3.7
177.12788	6.6
179.14267	3.9
181.10103	3.3
183.11757	7.3
184.07298	22.9
187.11169	6.5
187.14795	5.2
189.11235	9.8
191.10681	3.8
193.90527	3.2
199.14742	3.4
227.12787	17.2
239.13867	3.6
241.19389	3.9
253.14328	18.1
257.18991	7.9
259.20691	14.7
261.22025	5.4
273.18530	40.3
275.20126	18.2
289.18069	6.7
291.19540	47.4
307.19177	3.8
309.20844	5.8
315.23257	4.2
317.24805	4.5
325.77856	3.9
333.24246	14.9
335.25790	85.1
335.34793	3.4
347.22238	17.3
349.23795	7.9
365.23309	37.4
381.22766	10.8
383.24362	18.5
541.35016	15.2
545.35193	4.2
559.36560	22.5
581.37817	4.1
607.43701	10.0
621.40875	11.8
625.44623	48.9
639.42480	36.6
643.45618	31.9
657.44415	5.5
671.44641	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	868.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.1
65.03945	2.8
67.05509	48.9
68.05821	1.3
69.03428	6.5
69.07072	25.6
71.32453	1.1
72.55200	1.3
73.02924	1.4
79.05497	52.1
80.05848	1.2
81.03426	12.5
81.07060	61.5
82.29648	1.0
83.04980	12.3
83.08624	28.1
85.02904	4.1
85.06532	3.8
86.09709	4.0
91.05483	56.9
93.07046	54.9
95.04975	45.2
95.08610	36.3
97.02885	3.4
97.06531	9.8
97.10175	13.4
98.20800	2.8
99.04470	3.8
99.08089	2.9
103.05461	1.4
105.07035	53.4
107.04302	2.0
107.04964	16.7
107.08601	37.3
109.02903	2.3
109.06526	14.6
109.10166	17.4
111.04446	5.4
111.08078	7.2
111.54327	1.2
115.05463	2.9
117.07018	23.6
119.04921	1.4
119.08586	44.3
121.06516	15.8
121.10147	18.6
123.04399	1.6
123.08082	9.4
123.11730	3.2
124.99979	1.5
125.09636	14.4
128.06227	4.7
129.05516	1.9
129.06992	12.8
131.08562	24.2
133.06488	5.3
133.10139	40.8
135.08044	10.3
135.11693	15.7
137.09601	5.1
139.07559	1.4
139.11205	2.2
141.06984	2.8
142.07787	3.1
143.08577	13.0
145.06538	5.6
145.10130	26.0
147.08037	8.3
147.11687	23.4
149.09624	14.5
149.13271	4.0
149.28772	1.3
151.11203	5.1
153.09108	3.8
153.12766	2.3
155.08565	6.0
157.10136	11.5
159.08037	6.6
159.11705	15.2
161.09630	15.2
161.13269	13.2
163.07521	3.2
163.11189	26.7
163.14903	1.7
165.12711	1.8
167.08563	2.2
169.10138	6.0
171.08105	1.6
171.11700	8.7
173.09653	4.8
173.13322	8.9
175.11162	5.7
175.14832	5.0
177.12764	3.9
179.10631	1.9
179.14320	2.9
181.10107	3.4
181.12215	3.0
183.11728	4.2
184.07349	8.1
185.09666	3.4
185.11774	1.9
185.13274	5.5
187.11206	2.8
187.14857	3.0
189.09264	2.0
189.11237	9.1
189.12787	4.2
191.10623	2.0
193.12241	5.0
195.11693	1.9
195.13686	1.5
197.13251	2.3
199.11263	2.1
199.14807	4.1
201.12823	2.4
203.10690	2.0
203.14413	1.4
205.12265	3.0
209.13281	2.3
211.11382	1.3
213.16258	1.6
215.18036	1.7
223.13280	16.4
223.15178	1.8
227.12723	10.8
227.17923	1.5
229.19501	1.7
231.21112	3.5
231.24806	1.4
239.17963	2.3
241.19513	10.9
245.19038	5.2
247.20491	1.6
253.14378	3.8
255.17572	3.2
257.18976	5.5
259.20590	30.3
261.18558	1.9
271.17160	2.4
273.18497	45.1
275.20087	32.7
276.20685	1.6
277.21631	2.3
283.15390	4.4
285.22141	1.6
287.20016	1.3
289.17999	8.6
289.21188	2.0
291.19565	9.0
293.21118	18.4
297.22137	2.1
315.23221	4.5
329.21075	4.2
331.22742	1.3
333.20422	2.0
333.24252	28.1
335.25745	3.5
347.22171	42.1
349.23810	16.2
349.27661	2.1
351.25229	1.9
363.21823	2.2
365.23282	7.3
367.24823	28.8
377.28326	2.9
381.22754	20.7
395.29605	5.1
467.31848	2.6
489.32184	3.0
511.33975	4.3
513.35107	1.5
515.33911	1.8
523.33594	2.3
527.33350	2.5
529.36310	2.3
541.35266	11.8
543.37286	1.8
545.38330	2.2
547.37646	3.8
559.36469	6.7
565.38910	2.7
571.36487	1.6
603.40485	1.9
621.41541	31.3
625.44226	3.5
639.42578	100.0
640.42700	2.9
657.33600	2.2
657.43628	25.3
671.45123	2.1
689.43250	1.5
747.43524	2.5
783.48108	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	3.8
62.99937	4.4
65.03920	9.4
67.05505	91.2
69.03416	12.4
69.07065	28.8
71.04997	9.1
71.52042	4.4
77.17586	2.8
79.05074	6.2
79.05492	88.3
81.03394	16.8
81.07053	85.7
83.04974	19.2
83.08623	27.2
85.02882	11.7
85.06540	7.1
86.09698	11.2
91.05479	94.5
91.59834	3.5
92.05788	3.7
93.06482	6.5
93.07041	79.3
95.04945	17.8
95.08608	59.6
97.02886	8.6
97.06538	17.2
97.10150	7.1
99.04469	4.3
105.07030	100.0
107.04935	18.5
107.08589	54.5
109.02886	4.8
109.06513	14.4
109.10157	51.5
111.08067	8.1
115.05372	4.2
116.06232	3.8
117.07038	30.8
119.08573	56.9
120.08840	3.9
121.06493	10.6
121.10155	31.3
123.08072	9.7
123.11703	11.6
125.09671	3.4
128.06197	8.3
129.06999	22.5
131.08559	41.9
133.06454	6.2
133.10136	97.1
135.08051	11.9
135.11713	21.7
143.08563	18.7
145.06409	5.1
145.10139	34.3
147.08025	10.8
147.11693	45.1
149.09578	9.6
149.13225	9.9
151.11206	24.4
155.08557	8.0
157.10112	15.1
159.08009	7.1
159.11708	28.0
161.09615	12.1
161.13280	26.0
163.11148	7.4
169.10127	9.8
169.12199	6.0
171.11687	20.9
173.09697	4.2
173.13284	13.7
175.11252	6.2
175.14828	4.5
177.12695	5.4
179.10687	6.7
179.14212	4.8
183.11632	6.6
184.07304	29.3
185.13243	13.5
187.11079	6.7
187.14865	7.4
195.11732	4.1
197.13214	8.2
197.60864	4.1
199.11256	3.7
199.14841	8.2
211.14980	4.6
225.16389	5.6
229.14288	4.7
229.19435	4.9
231.21062	6.2
241.19458	21.0
244.09657	3.5
245.19016	5.5
253.14354	74.3
257.19006	11.5
259.20609	57.0
271.15350	8.5
273.18433	26.9
275.20047	50.5
289.17862	7.4
291.19571	24.6
293.21170	5.9
315.23151	7.0
333.24258	44.6
335.25974	18.1
336.26059	12.3
347.22064	7.7
349.23746	47.1
353.28421	4.0
363.21667	13.8
365.23221	55.2
367.24710	12.6
419.29510	4.2
437.30609	5.3
455.31573	5.5
487.34546	4.0
501.35834	5.3
511.34308	24.3
513.36694	6.6
529.35266	39.7
531.38440	7.7
541.38965	4.5
542.38867	8.9
549.38904	4.6
605.42053	21.3
623.42993	96.8
637.40131	4.5
641.44183	44.2
652.48358	3.7
755.92230	4.5
866.50659	6.3
882.93890	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	863.513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08178	0.4
61.02937	3.5
67.05508	3.9
69.03423	2.6
69.07082	2.4
69.84646	1.5
69.85020	0.7
70.02521	0.3
70.06616	0.4
71.01385	0.4
71.05025	0.4
73.02930	2.8
75.04575	0.3
76.39493	0.3
79.05504	3.6
81.03434	1.5
81.07066	5.5
83.04990	0.4
83.08638	1.4
85.02910	3.6
86.09728	1.2
91.03956	2.5
91.05486	3.4
93.07050	4.3
95.04983	1.0
95.08619	2.2
97.02908	2.9
97.06580	0.9
97.10194	1.1
98.20866	0.5
99.04465	0.6
101.02386	1.0
105.07040	3.1
107.04916	0.5
107.08607	2.7
109.02910	0.8
109.06541	0.8
109.10152	1.7
111.08101	0.4
111.13403	0.4
117.07056	1.0
119.08576	1.9
121.10182	1.6
125.00050	0.5
125.09660	1.0
127.03952	1.1
129.07094	0.5
131.08620	1.2
133.10146	1.7
135.08052	0.4
135.11758	0.5
143.08549	0.5
145.04996	0.5
145.10168	1.2
147.11728	1.4
149.13286	0.8
159.11769	1.2
161.13257	0.5
171.11647	0.4
173.11830	0.6
183.11668	0.3
184.07394	2.7
185.04283	0.7
185.07674	0.5
201.03790	0.4
243.08423	3.0
259.20728	0.6
289.16321	0.3
301.08966	1.1
315.10602	0.5
317.01947	0.4
317.21140	0.6
351.21347	3.1
357.15039	0.4
357.35019	0.3
373.11127	0.5
383.17050	0.5
407.24121	0.6
465.21243	0.7
499.22018	0.5
520.34503	0.5
535.28839	5.9
551.02350	0.4
569.29346	8.5
641.31500	1.0
711.39764	0.6
863.51288	100.0
864.51776	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	862.6463
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	1.0
67.05514	3.3
67.51851	0.5
69.03448	0.7
69.07071	5.7
69.17258	6.5
71.08636	26.9
73.02926	2.1
73.06172	1.0
73.06559	10.8
79.05502	2.5
81.07072	4.4
83.08617	5.4
85.10187	16.8
86.09718	5.0
87.04474	14.6
89.06035	100.0
91.05479	1.7
91.07597	1.0
93.07037	2.1
95.04967	1.2
95.08603	1.9
97.10166	7.4
99.11757	2.6
105.07033	1.8
107.07079	1.8
107.08549	0.9
107.64817	0.7
109.10168	1.7
111.11720	2.3
113.05991	1.1
113.13284	1.3
115.07600	0.7
117.09143	9.9
119.08585	1.6
125.00028	4.0
125.13286	1.8
127.14867	1.6
130.08685	3.9
131.07063	4.2
131.08574	1.4
133.08611	54.9
135.10173	1.2
139.14859	0.7
141.16435	1.1
143.08586	0.7
145.10144	0.8
161.11725	3.9
169.19572	0.7
175.09703	3.2
177.11227	23.7
184.07343	16.4
211.24300	2.3
219.12193	1.1
221.13870	4.8
223.15550	1.0
239.14839	0.9
255.26817	1.6
265.16617	1.3
275.20007	0.8
283.17535	1.7
299.29471	7.3
309.19168	1.5
327.20255	0.8
335.25800	1.6
337.27533	2.0
343.32169	4.7
353.21631	1.6
385.21640	0.8
468.07007	0.7
611.46552	0.8
635.37653	0.9
698.47205	0.8
845.61871	4.0
862.65771	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	862.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04529	1.9
61.02925	11.0
63.04100	1.0
67.05499	3.9
69.03431	33.3
69.07068	61.0
70.06590	15.5
70.60251	1.2
70.60609	3.0
71.01361	5.3
71.04993	2.5
72.08140	7.6
73.02916	71.9
74.06068	1.1
79.05474	1.2
81.03407	9.2
81.07054	4.0
83.04954	2.7
84.04490	4.4
84.08147	11.1
85.02904	100.0
85.08484	1.6
86.09703	10.7
87.04468	3.9
91.03956	4.0
91.05485	3.6
93.07035	3.6
95.04959	1.9
95.08619	2.5
96.04442	1.1
97.02891	65.6
99.04462	3.8
102.05543	1.1
103.03944	3.0
105.07040	2.1
109.02879	9.4
109.10149	2.1
110.07164	3.1
111.04429	1.5
111.11726	32.8
115.03927	29.9
115.08643	1.6
119.08633	1.4
120.08105	5.9
121.06545	1.3
123.11792	1.8
127.03922	34.4
129.10216	6.3
132.06532	1.6
133.04965	35.2
135.11703	1.6
136.07564	4.2
137.05925	1.3
141.06622	1.1
145.04953	49.5
150.07631	5.5
153.12712	1.1
163.06017	24.3
177.05446	2.0
177.12746	1.1
181.04977	3.0
183.63492	1.0
193.04987	3.0
195.13736	1.6
199.06061	2.1
207.13911	2.1
217.07124	3.9
219.10167	1.0
223.05952	7.8
225.14810	6.0
229.11794	1.6
237.14876	3.8
241.07086	11.0
243.15921	11.9
255.16052	1.7
259.08139	32.7
260.07996	1.1
273.16946	5.1
277.09256	7.5
292.00900	1.0
295.10251	38.6
306.23737	1.1
404.30948	1.3
440.24902	19.1
628.94507	1.3
694.67151	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	0.8
61.02928	2.7
65.03933	0.3
67.05503	3.1
69.03431	2.5
69.07075	1.5
70.16553	0.2
71.01329	0.4
71.04993	0.5
71.07388	0.5
71.52970	0.4
73.02920	2.1
79.05498	2.7
81.03409	1.5
81.07057	4.1
82.07426	0.2
83.04984	0.9
83.08609	2.0
85.02905	2.9
86.09702	4.0
87.10062	0.4
91.03960	1.5
91.05480	2.6
93.07047	3.0
95.04966	2.0
95.08594	1.9
97.02888	3.3
97.06538	0.9
97.10184	0.6
98.98428	0.6
99.04456	0.7
101.02372	1.2
104.10762	0.3
105.07024	1.9
107.04961	1.0
107.08591	2.3
109.02883	0.6
109.06535	0.6
109.10177	1.5
111.04449	0.5
111.08089	0.5
117.07038	1.0
118.02285	0.2
119.08611	1.8
121.06513	0.6
121.10159	1.6
123.08083	0.7
123.11748	0.4
125.00006	3.0
125.09625	0.4
127.03919	0.8
129.07014	0.3
131.08609	1.3
133.10107	1.6
135.08125	0.4
135.11699	1.0
137.09612	0.5
143.08562	0.3
145.10135	1.5
147.11726	1.0
149.09624	1.6
149.13290	0.3
151.11221	0.4
159.11722	0.8
161.09550	0.3
161.13342	0.4
163.11150	1.4
171.11708	0.4
173.13309	0.5
177.12784	0.4
183.11630	0.2
184.07341	11.2
185.04237	0.5
185.07684	1.4
185.36000	0.2
203.05215	0.4
217.70895	0.3
223.13290	0.6
231.60068	0.3
243.08405	3.0
257.19009	0.4
275.20193	0.8
292.65848	0.2
303.19397	0.4
325.83966	0.3
333.20361	4.8
349.19727	0.3
383.10007	0.2
389.22913	2.2
389.26746	0.2
410.31445	0.3
422.26926	0.2
439.19455	0.5
533.27271	0.3
551.28284	16.3
763.42773	0.3
843.48468	0.5
861.49652	100.0
862.49780	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	860.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.2
65.03934	3.1
67.05508	50.8
67.17780	0.7
69.03428	2.1
69.07067	13.5
69.13741	5.0
69.14161	2.2
71.04984	2.3
71.11311	0.7
73.02903	0.7
79.05498	37.1
81.03401	2.2
81.07059	58.6
82.07374	0.7
83.04968	2.6
83.08623	7.6
85.02898	2.2
85.06538	2.1
86.09705	3.1
91.05486	32.7
93.07050	38.8
95.04974	7.1
95.08614	37.7
96.08947	0.9
97.02912	1.1
97.06532	3.3
97.10175	3.6
99.08084	1.5
105.04473	1.1
105.07037	30.2
107.04945	3.2
107.08603	19.4
109.06524	3.9
109.10159	15.2
111.08084	2.9
115.05442	1.6
117.07029	14.6
119.08587	20.3
121.06533	1.7
121.10148	17.0
123.08092	3.5
123.11745	5.1
125.00009	2.1
125.09671	1.4
128.06216	1.6
129.07024	5.0
130.07811	1.2
131.08577	18.6
133.10143	20.4
135.08023	1.3
135.11708	9.1
137.09627	2.6
137.13243	1.1
141.04596	0.8
141.07004	1.5
143.08563	3.6
145.10126	14.8
147.08049	2.7
147.11679	9.1
149.09628	2.5
149.13284	5.5
151.11183	1.8
155.08568	2.5
157.10141	4.2
159.11690	13.3
161.13257	5.4
163.11201	2.8
163.14824	2.0
165.12779	0.8
169.10109	3.8
171.11676	5.2
173.13280	9.7
175.11166	1.5
175.14853	1.3
177.12724	1.0
181.10110	0.8
183.11713	3.1
184.07358	9.5
185.13287	2.8
187.11143	1.0
187.14850	2.5
189.12827	1.0
189.16223	0.7
197.13242	2.6
199.14830	1.7
201.16359	1.2
211.14822	0.7
213.16438	1.4
215.14282	1.0
215.18059	1.2
229.19499	2.3
237.16238	1.0
239.17941	4.6
241.19617	1.0
243.21144	2.3
247.20609	1.0
255.17447	0.8
257.19025	11.4
259.20688	1.1
261.22165	7.7
273.18439	1.5
275.20093	18.8
277.21323	0.7
287.14133	2.6
291.19553	2.8
311.17627	2.3
317.24786	2.4
331.22699	4.1
333.24338	1.6
335.25818	100.0
336.26056	2.3
337.27063	2.0
347.22284	1.2
349.23804	7.1
367.20370	1.8
385.21429	42.4
402.21088	0.8
403.20718	3.3
443.36636	0.7
501.35739	0.9
517.39758	1.6
529.38336	0.7
535.41486	1.0
547.35114	0.7
591.43927	1.4
609.45166	34.4
627.45392	2.2
645.42761	30.2
645.53754	1.3
646.61481	0.7
663.42737	5.3
860.49213	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	859.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.1
67.05509	6.8
69.03429	2.0
69.07069	2.3
71.04987	2.1
73.02920	2.9
79.05495	6.3
79.05919	0.6
80.05857	0.6
80.42789	0.4
81.03421	1.6
81.07051	6.4
82.07359	0.5
83.05020	0.6
83.08632	1.5
85.02901	4.2
86.09720	1.2
91.03985	1.8
91.05489	5.0
91.43884	0.5
93.07040	6.0
94.07426	0.5
95.04968	1.5
95.08607	4.4
96.17573	0.4
97.02888	3.7
97.06535	1.0
97.10169	0.6
99.04453	0.7
101.02385	1.0
105.04533	0.6
105.07016	5.0
107.04996	0.8
107.08592	3.2
109.10130	2.2
115.03872	0.4
115.23705	0.5
117.07035	1.8
117.61411	0.4
119.08583	2.9
121.10183	2.0
123.08137	0.5
124.99995	0.5
125.09646	0.6
127.03932	1.3
129.07027	0.6
131.08594	1.6
133.10150	2.4
135.08086	0.6
135.11713	1.1
143.08615	0.7
145.10167	1.3
147.11736	1.8
149.13286	0.8
159.11803	1.3
161.13251	0.9
163.11220	0.5
173.13321	0.7
175.14825	0.6
184.07324	4.9
185.04369	0.9
243.08485	2.5
254.04001	0.5
255.23289	1.1
256.23566	0.8
259.20706	0.7
301.09097	1.4
333.24332	0.7
335.25861	0.6
336.26254	0.6
337.26956	0.6
347.21954	2.4
358.71759	0.5
373.23520	0.7
419.01920	0.5
439.19559	1.0
465.21393	1.4
467.22818	1.5
499.21783	0.5
535.28876	5.0
551.28296	2.2
565.29840	4.6
589.33032	0.5
628.46344	0.7
637.31757	0.6
651.33533	0.6
662.46295	0.6
761.44849	0.5
775.43060	0.6
859.51794	100.0
860.51947	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	858.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	1.1
61.02919	2.6
65.03928	5.3
66.61397	1.0
67.05508	97.8
68.05848	1.0
69.03424	4.7
69.07071	29.3
71.05008	8.1
71.08619	1.0
71.53187	1.1
73.02890	1.3
73.06517	1.0
75.00032	23.8
79.05495	59.4
80.05838	1.1
81.03433	6.8
81.07059	100.0
82.07392	1.8
83.04980	7.1
83.08626	20.0
85.02901	3.3
85.06544	3.2
86.09711	7.7
88.76006	1.1
91.03948	1.4
91.04903	1.6
91.05484	40.8
93.07049	61.1
94.07359	1.9
95.04972	8.2
95.08611	63.8
96.08959	1.7
97.02874	2.5
97.06533	9.3
97.10172	14.3
99.04479	1.1
99.08088	3.6
101.01584	1.0
102.99504	5.9
103.05449	1.5
105.04514	1.7
105.07037	30.8
107.04939	3.7
107.08597	38.4
109.06546	6.1
109.10165	32.8
111.08082	6.1
113.01531	1.4
113.09601	1.6
114.47903	0.8
114.99513	1.1
115.05450	1.3
117.07030	13.2
119.08584	31.3
121.06488	4.8
121.10151	23.1
123.08075	5.1
123.11704	8.3
124.99982	6.2
125.09615	8.6
128.06168	1.5
129.05499	1.4
129.07013	5.6
130.07857	1.0
131.02597	0.9
131.08574	20.4
133.06497	1.6
133.10127	19.7
135.08047	4.3
135.11719	13.4
137.09650	2.9
137.13239	2.9
139.11157	1.3
141.04588	1.5
142.07755	1.5
143.08585	4.8
145.06441	1.3
145.10130	14.7
147.08000	4.9
147.11693	15.3
149.09665	5.6
149.13266	9.8
151.11185	2.9
151.14824	1.3
153.09106	1.9
153.12794	1.1
155.08629	1.3
157.10107	6.2
159.11696	10.8
161.09618	1.8
161.13295	7.0
163.11197	3.4
163.14822	3.1
165.09041	1.7
166.76369	0.9
167.14468	1.2
169.10237	1.6
171.11700	3.1
173.11775	2.4
173.13269	3.5
175.11150	3.1
175.14844	1.7
177.12732	2.2
177.16354	1.2
179.14272	1.5
183.09369	3.6
183.11717	2.1
184.07333	28.6
185.13246	1.6
187.14793	2.4
189.11255	2.9
189.12733	1.1
189.16344	1.2
191.14354	1.0
195.13809	2.0
201.16432	0.9
205.12373	1.0
217.15810	1.5
223.13319	2.9
227.12744	6.1
229.09872	2.5
229.14325	11.2
239.17984	1.2
243.21022	3.1
245.22585	1.5
247.11011	6.7
257.18967	3.6
259.20526	1.5
261.22205	10.9
263.23654	1.7
265.04712	1.1
269.17508	7.5
273.18506	15.6
275.20068	10.8
277.21741	1.0
291.19556	8.4
303.13602	10.6
309.15994	1.1
317.24838	2.3
327.17368	1.2
333.24249	1.0
335.25812	66.4
336.26089	4.1
337.27371	41.9
339.18011	2.6
347.21927	1.4
349.23712	11.0
365.23141	2.2
381.26434	2.9
383.19724	3.5
401.20886	42.3
413.21634	4.6
491.37396	11.4
513.39551	1.4
529.38373	0.9
531.40485	54.3
532.40894	1.7
563.35162	12.1
571.43616	4.5
607.43817	2.3
610.44873	1.5
611.37775	1.5
611.46735	20.1
625.44336	4.3
629.48145	4.8
643.41992	1.0
643.49481	9.1
657.44623	1.4
661.42291	57.3
662.42181	2.2
675.44556	6.7
693.45563	1.3
792.02777	1.1
858.50024	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	858.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	5.2
61.02923	2.1
65.03941	5.6
67.05507	96.6
69.03428	3.5
69.07072	32.7
69.28393	12.8
71.04989	5.6
71.07384	2.2
77.71998	1.2
79.05497	76.5
81.03421	6.1
81.07058	100.0
83.04979	8.7
83.08624	21.6
84.12022	1.4
85.02897	5.8
85.06544	6.5
85.10181	1.4
86.09708	20.7
91.05482	81.1
93.07047	79.7
93.07645	3.4
95.04975	10.1
95.08607	56.1
97.02896	1.7
97.06536	10.2
97.10172	10.0
98.21543	2.8
98.98450	2.4
99.08096	4.0
103.05450	2.2
104.10752	2.4
105.04531	2.8
105.07035	78.1
107.04964	9.0
107.08597	49.6
109.02877	1.6
109.06526	9.9
109.10163	36.2
111.08079	7.4
113.09687	2.0
115.05442	2.8
117.07020	29.9
119.08590	64.1
121.06490	4.4
121.10154	36.6
123.08069	8.5
123.11702	12.5
125.00004	17.4
125.09647	9.4
128.06197	3.7
129.07011	16.8
130.07817	2.6
131.08574	46.4
133.10135	54.9
135.08051	8.5
135.11710	21.0
137.09607	4.5
137.13263	2.7
139.11209	1.6
141.06975	4.8
142.07774	3.2
143.08569	17.4
144.09315	2.7
145.10126	32.8
147.08101	2.1
147.11697	43.5
148.12016	1.7
149.09648	7.6
149.13269	17.4
151.11165	4.2
155.08513	9.7
156.09387	2.1
157.10127	20.0
159.08063	2.4
159.11708	30.0
161.09653	2.7
161.13268	25.6
163.11127	7.1
163.14857	3.3
165.12778	3.9
167.08626	4.1
169.10152	10.6
171.11667	19.1
173.11844	1.8
173.13231	13.6
175.11172	3.6
175.14819	10.6
177.12756	2.5
179.08470	2.3
179.14297	2.6
181.10114	2.7
183.11664	10.9
184.07344	76.2
185.13292	15.2
187.11282	2.2
187.14825	6.8
189.11263	3.1
189.12749	3.2
189.16362	2.0
191.14278	2.6
193.09995	1.8
195.11728	3.8
195.13753	3.1
197.13289	7.6
199.14766	6.7
201.16397	3.4
203.53610	1.4
207.11719	4.0
209.13292	4.7
211.14903	3.4
213.16464	3.2
215.18005	3.0
217.16003	2.0
223.14832	2.5
225.16460	2.3
227.12782	4.5
229.14294	13.5
231.21066	2.5
235.14835	2.0
237.16367	2.3
239.17903	4.4
241.19531	22.7
247.20599	2.0
251.18059	2.4
255.17398	1.8
257.19037	6.9
259.20575	55.8
261.22229	2.6
267.15982	4.1
269.17444	21.3
273.18503	1.8
275.20087	31.1
277.21674	2.9
291.19592	3.0
293.21115	6.5
297.22253	2.5
301.21637	1.8
315.23224	5.3
323.23770	1.9
333.24246	62.2
335.25961	3.4
341.24515	1.9
349.23773	13.2
350.23853	1.6
351.25580	2.2
365.23627	2.4
367.24835	21.8
381.27380	1.7
413.31183	1.6
417.31131	2.8
435.32544	7.1
436.88126	1.4
437.04205	1.8
453.33600	4.5
471.34662	3.5
487.34259	7.7
491.35660	1.8
501.35825	2.2
505.35052	11.6
509.36151	5.6
513.35669	10.1
515.37891	9.0
527.37323	68.8
533.39551	6.9
545.38336	15.0
551.40717	4.7
607.43549	35.9
625.34607	2.2
625.44659	43.4
626.44476	2.1
643.44885	4.5
671.41034	2.1
769.48047	2.7
787.50970	1.8
790.48560	1.9
840.51447	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	858.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	3.3
61.02929	2.1
65.03938	4.7
67.05508	100.0
69.03432	6.4
69.07072	45.1
69.19849	9.9
71.05000	6.5
71.07367	2.9
73.02917	1.8
77.03918	1.2
79.05496	60.2
81.03421	7.1
81.07059	78.7
82.07370	1.3
83.04985	9.9
83.08620	13.3
85.02891	3.7
85.06548	3.7
86.09709	22.6
91.04902	1.6
91.05485	44.6
93.07046	68.6
95.01325	1.1
95.04980	11.1
95.08611	59.0
97.02895	4.1
97.06525	15.1
97.10172	8.1
98.98467	2.2
99.04456	1.1
99.08106	2.8
101.02378	1.0
104.10766	1.2
105.04524	1.1
105.07032	33.8
107.04946	5.8
107.07874	2.2
107.08593	34.7
109.02915	1.4
109.06506	6.4
109.10163	41.9
111.04436	1.7
111.08085	6.6
111.11768	1.1
113.09664	2.2
117.07025	13.2
119.08588	33.0
121.06485	4.1
121.10147	28.7
123.08093	5.6
123.11713	8.2
125.00002	12.3
125.09649	7.6
127.03931	3.0
129.05472	1.8
129.07004	5.6
131.08563	19.5
133.10136	25.3
135.08046	5.0
135.11693	17.2
136.06139	1.2
137.09601	10.7
137.13255	2.1
139.11157	2.1
141.06958	2.1
143.08571	4.3
145.10126	18.2
147.08028	2.0
147.11679	15.1
149.09619	14.0
149.13274	9.4
151.11191	3.9
153.09235	1.2
155.08626	1.2
155.10669	2.4
157.10118	6.0
159.11679	13.5
161.09662	2.0
161.13251	8.1
163.11208	6.3
163.14777	2.5
165.09029	1.2
165.12770	2.4
167.10670	1.0
169.10129	2.2
171.10324	1.3
171.11629	5.8
173.11765	7.5
173.13280	8.7
175.11240	2.0
175.14804	2.8
177.12764	4.3
179.14253	1.5
183.11650	1.6
184.07347	80.8
185.13245	2.2
187.11186	2.0
187.14871	3.7
189.11244	3.0
193.12260	1.9
195.13818	2.2
197.13330	2.2
201.12708	1.0
205.12334	1.1
207.13910	1.2
208.22964	1.1
211.13196	1.3
211.14955	1.5
213.16487	1.5
215.17998	1.4
219.17404	1.1
227.12778	3.5
229.14311	14.8
229.19490	1.9
233.15378	1.8
233.19087	1.4
239.18074	2.2
241.19531	1.5
243.15904	1.0
243.21118	2.7
245.18941	1.1
247.20578	1.8
257.19019	3.2
259.15393	3.3
259.20627	2.9
261.22116	10.0
267.15891	2.4
269.17545	6.8
273.18442	3.4
275.20068	24.5
276.15384	1.0
277.21680	1.2
291.19553	4.4
293.21112	3.2
299.14709	1.2
317.24783	2.8
333.24188	1.4
335.25803	69.5
336.26102	1.8
347.22101	2.1
349.23761	28.7
351.25104	1.4
365.23227	2.7
367.24866	3.4
373.18509	3.5
383.24402	2.7
431.31573	2.7
489.35779	40.3
503.37320	4.7
513.39105	3.7
515.37421	5.3
519.36188	1.2
529.38879	16.4
545.38269	1.9
585.41528	1.8
609.45166	37.7
625.44452	4.3
627.46283	15.1
643.45544	2.7
661.46704	1.4
858.46338	9.3
859.46033	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	858.513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	3.1
61.02919	1.2
65.03930	2.7
67.05511	54.8
69.03445	2.1
69.06724	2.0
69.07072	20.1
71.04987	2.1
71.07378	2.5
75.00055	1.5
77.03941	1.3
79.05500	39.7
81.03411	4.4
81.07063	66.4
83.04987	3.7
83.08620	13.3
85.02901	2.2
85.06527	2.4
86.09715	18.7
91.05489	32.0
93.07051	44.3
95.04981	9.3
95.08618	34.6
97.02915	1.4
97.06537	5.0
97.10206	6.6
98.20695	1.7
98.98464	1.6
103.05413	1.5
104.10727	2.2
105.07042	23.5
106.33539	0.9
107.04970	7.0
107.08601	27.3
109.06514	5.6
109.09476	1.6
109.10169	20.9
111.04417	2.1
111.08083	2.8
113.30004	1.0
117.07035	14.7
119.05036	1.2
119.08594	24.1
121.06528	7.0
121.10156	19.3
123.08095	10.5
123.11689	4.9
125.00016	11.4
125.09624	4.6
125.16325	1.0
129.07042	5.0
130.07823	1.3
131.02603	1.1
131.08578	19.2
133.00494	1.1
133.06509	3.0
133.10156	12.5
135.08072	5.1
135.11702	10.4
137.09616	3.6
137.13261	2.4
143.08563	6.8
145.06467	1.6
145.10141	14.8
147.08061	6.6
147.11691	7.0
149.09659	8.1
149.13264	3.5
151.11211	1.7
155.08545	2.5
157.10156	7.3
159.08044	2.3
159.11682	7.8
161.09654	6.6
161.13292	5.0
163.11174	6.8
163.14844	1.5
165.12766	1.1
169.10150	1.6
171.11674	4.8
173.11964	1.1
173.13245	5.2
175.11266	2.4
175.14847	2.6
177.12737	1.7
183.11699	1.2
184.07353	60.7
185.13254	2.7
187.11192	1.4
187.14876	1.9
189.11234	2.2
195.11739	2.1
197.07303	1.3
199.11275	1.2
201.16519	1.9
203.14301	1.2
209.13361	1.9
223.13235	1.2
227.12750	1.9
227.17929	1.2
229.14342	4.8
230.58562	1.2
243.21175	3.4
245.19012	1.8
249.14798	2.4
255.17491	2.8
257.18982	1.4
259.20694	1.2
261.22128	10.1
269.17563	1.3
273.18491	20.7
275.20074	2.8
291.19565	44.1
309.16150	8.1
317.24756	3.3
327.17065	2.4
335.25824	100.0
336.26202	2.2
337.27402	9.7
347.22156	4.1
349.23621	3.5
351.25372	1.2
365.23291	1.6
383.19833	26.0
401.20923	53.2
491.37198	3.7
501.35831	2.3
529.38940	2.5
531.40491	10.5
607.43347	3.8
611.46283	4.7
619.28735	1.4
625.44745	12.2
629.46979	2.0
643.41083	24.1
643.49335	1.3
661.42291	43.5
662.42126	1.9
667.56793	1.1
675.44537	1.7
858.58844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08129	0.7
61.02904	1.0
65.03890	3.0
67.05505	70.5
67.05833	2.5
67.06015	2.4
69.03423	3.7
69.07072	21.0
69.07416	1.1
69.39548	0.6
71.05000	4.4
71.08588	0.8
71.25191	0.6
75.00038	35.0
77.03893	0.7
79.05494	51.8
81.03427	3.8
81.07056	81.3
81.07515	2.7
81.69508	0.6
82.97800	0.6
83.04983	5.0
83.08617	13.1
85.02851	2.1
85.06495	1.8
86.09721	3.1
88.96246	0.6
91.03925	0.8
91.05481	34.4
93.07043	49.0
94.07323	0.9
95.04968	7.0
95.08606	47.5
97.02840	1.9
97.06539	5.0
97.10165	11.1
98.21512	1.9
99.04366	0.8
99.08034	2.3
101.01520	1.6
102.99506	9.8
103.05433	1.5
105.04498	1.1
105.07033	29.1
107.04971	3.7
107.08594	30.0
109.06520	3.6
109.10155	24.8
111.08065	3.9
111.11674	0.9
113.01500	1.8
113.09594	1.2
114.99428	1.3
115.05401	1.6
117.07030	9.9
119.08582	23.6
121.06458	1.5
121.10139	18.5
123.08074	4.9
123.11696	6.5
124.99963	1.9
125.09632	9.3
127.03058	1.2
128.06195	0.9
129.00888	0.7
129.07004	5.1
131.02557	1.5
131.07634	0.8
131.08568	14.4
133.06461	1.5
133.10130	12.7
135.08083	4.1
135.10721	0.8
135.11684	11.6
137.09572	1.9
137.13203	2.2
139.11200	1.0
141.04640	2.4
141.06938	1.0
143.08574	3.2
145.10130	12.2
147.08032	5.7
147.11682	17.0
149.09552	2.6
149.13278	5.6
151.11197	1.2
155.08549	1.0
155.10612	0.9
157.10170	5.4
159.08041	1.0
159.11688	6.2
161.09575	1.3
161.13246	3.6
163.11176	1.3
163.14841	3.2
165.09029	1.0
165.12732	1.4
167.08327	0.7
169.10158	1.5
171.10170	1.2
171.11668	3.0
173.11819	1.3
173.13206	4.3
175.11121	1.7
175.14813	1.9
177.12779	0.8
177.16388	1.0
181.10045	0.7
183.05676	0.9
183.09340	3.8
183.11708	1.4
184.05815	0.9
184.07356	11.1
185.13239	1.7
187.14851	1.3
189.11243	3.9
189.12642	1.0
193.07745	0.8
193.12187	0.7
195.13678	0.8
199.14827	0.7
201.10426	1.3
201.16330	1.2
211.08766	0.8
223.13304	4.1
225.96657	0.6
227.12764	5.7
227.17940	0.7
229.09868	2.9
229.14331	6.6
231.13643	0.6
233.22585	1.0
241.09827	0.7
243.21046	3.2
245.18907	0.7
247.10959	9.0
249.14821	1.0
255.17361	1.0
257.18869	0.9
261.22162	10.9
263.23743	1.1
267.82620	0.7
269.17450	1.3
273.18491	21.3
275.20111	3.1
291.19550	9.5
303.13583	12.5
307.22882	0.9
309.16205	1.9
317.24768	3.5
327.17084	1.9
333.24243	1.3
335.25787	100.0
336.26138	2.6
337.27347	18.7
347.22153	1.6
349.23593	3.0
365.23285	1.8
383.19934	4.6
401.20895	48.0
402.21265	1.1
413.21875	1.7
491.37271	7.1
527.37500	1.1
529.38623	0.9
531.40350	15.8
563.34961	15.7
571.44281	0.8
607.43445	2.5
611.46820	7.2
625.44788	3.8
629.47247	1.0
643.49554	2.0
661.42279	88.3
662.42706	2.2
675.44946	2.8
858.50781	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	1.9
61.02920	2.3
65.03931	3.2
67.05508	66.2
68.48199	0.6
69.03426	2.7
69.07073	23.9
69.81974	3.2
71.05000	4.7
71.08598	0.9
73.02888	0.7
75.00049	6.0
77.03912	1.3
79.05497	47.9
81.03418	5.8
81.07059	76.6
82.07398	0.8
83.04982	5.2
83.08617	11.2
85.02906	2.8
85.06531	2.0
86.09708	5.6
87.61498	0.7
89.01589	1.2
91.05483	36.7
92.05780	0.8
93.07048	50.4
95.04978	9.4
95.08611	49.9
97.02899	1.8
97.06532	5.3
97.10173	8.9
98.98486	0.9
99.08094	2.4
102.99533	1.2
103.05509	0.9
105.04502	1.4
105.06314	1.0
105.07039	26.8
107.04965	7.4
107.08597	28.4
109.06518	7.3
109.10158	24.2
111.04453	1.7
111.08081	5.4
111.11672	0.7
111.78648	0.7
115.05466	1.1
117.01039	1.0
117.07018	12.7
119.04919	0.8
119.08587	25.6
121.06519	4.9
121.10149	22.3
123.04414	0.8
123.08080	10.1
123.11722	5.4
125.00013	4.6
125.09638	5.1
127.03909	1.0
128.06218	1.4
129.01010	1.0
129.07007	7.8
131.02626	1.2
131.08572	15.9
133.00533	1.4
133.06494	2.7
133.10135	14.4
135.08047	4.6
135.11693	12.3
137.09616	3.4
137.13263	1.8
141.06970	1.0
143.08553	5.5
145.06480	1.1
145.10135	16.0
146.87508	0.7
147.08067	7.9
147.11699	9.8
149.09628	6.7
149.13261	5.6
151.11223	2.0
153.69508	0.6
155.08556	1.9
157.10132	6.5
159.07994	0.8
159.11690	8.6
161.09621	6.6
161.13249	5.1
163.11183	5.5
163.14844	1.9
165.12782	1.6
167.08507	1.6
169.10132	1.6
171.10301	1.3
171.11707	4.3
173.07320	0.9
173.09598	1.2
173.13240	4.3
175.11194	2.8
175.14864	1.8
177.12836	2.0
177.16347	0.7
181.10159	1.3
183.11713	1.1
184.07361	19.5
185.13298	3.9
187.11227	1.2
187.14763	1.6
189.11275	1.4
189.12807	1.6
189.16481	0.6
193.12199	1.0
195.11754	2.0
197.07303	1.7
197.13228	1.1
199.11244	1.5
199.14879	0.9
209.13350	0.8
211.14812	0.8
213.16342	1.2
223.13258	1.2
227.12798	2.6
227.17982	1.9
229.09941	0.8
229.14371	7.3
237.16486	1.4
243.21133	3.0
245.19093	2.2
247.11008	1.5
249.14856	1.5
255.17487	3.4
257.19031	1.6
259.20602	1.8
261.22168	9.0
263.23795	0.9
269.17465	1.0
273.18509	17.1
275.20081	4.0
291.19568	25.2
303.13748	1.9
309.15976	4.5
317.24826	2.1
327.17172	1.8
333.24097	1.1
335.25812	100.0
336.26102	1.6
337.27386	14.5
339.61731	0.7
347.22101	3.2
349.23785	3.8
365.23181	2.5
383.19827	12.4
395.21115	0.8
401.20905	36.1
402.21478	0.8
413.21997	0.8
491.37268	4.3
501.35709	1.4
531.40460	15.7
533.40259	1.5
563.34918	1.4
571.43121	2.4
607.43451	5.2
611.46747	5.3
625.44678	11.6
629.46643	0.8
643.41113	24.8
661.42273	46.7
662.42413	1.1
675.44379	1.6
830.22894	0.9
858.50806	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	856.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22302	0.8
61.02916	2.1
65.03941	3.4
67.05509	91.6
69.03429	4.6
69.07074	29.5
69.37307	6.1
71.04996	10.8
73.02911	1.1
75.38545	0.8
75.92701	0.8
77.03942	2.6
78.93066	0.9
79.05498	65.8
81.03423	8.9
81.07059	97.0
83.04984	7.7
83.08625	15.6
85.02918	4.6
85.06557	4.6
87.04440	0.9
91.03970	0.9
91.04898	1.6
91.05487	46.7
93.07048	77.9
95.04978	8.2
95.08611	58.9
97.02885	3.7
97.06541	12.8
97.10181	5.9
99.04476	0.8
99.08090	2.4
103.03886	1.0
103.05460	1.4
105.04535	1.9
105.06316	1.2
105.07034	32.7
107.04978	3.8
107.08598	46.8
109.02869	2.3
109.06521	4.7
109.10161	34.5
111.04452	1.7
111.08096	6.5
113.09679	1.1
115.05462	1.2
117.07020	17.4
119.08589	26.4
121.06515	4.3
121.10152	28.4
123.08073	3.2
123.11712	8.3
124.99979	1.0
125.06095	0.9
125.09649	3.2
127.03914	1.2
128.06216	1.2
128.12941	0.8
129.05498	2.8
129.07036	6.8
130.07777	1.1
131.08572	25.3
133.06560	1.5
133.10139	24.2
133.11111	1.7
135.08051	4.4
135.11690	17.6
137.09592	3.5
137.13289	1.1
139.11169	1.2
141.06961	1.3
143.08562	5.2
144.09319	0.9
145.10129	19.8
146.10593	1.0
147.08060	2.3
147.11703	14.4
149.09608	7.1
149.13263	14.9
151.11182	2.6
153.09018	0.9
153.12753	1.2
155.08540	2.7
155.10585	1.2
157.10144	5.4
159.11703	15.4
161.09634	1.9
161.13272	7.6
163.11156	3.5
163.14827	3.0
165.12813	1.6
167.08560	1.6
169.10124	2.8
171.10345	1.2
171.11642	4.9
173.11757	4.4
173.13280	8.7
175.11218	1.4
175.14833	2.9
177.12778	3.6
177.14316	0.8
177.16347	1.4
179.14302	1.0
183.11719	3.2
184.07350	3.8
185.13269	2.9
187.14804	2.2
189.16280	0.9
191.14325	1.1
195.11691	1.0
195.13828	2.5
197.13310	2.4
199.14839	2.6
201.16309	1.6
203.14343	1.3
205.12308	0.9
205.15767	1.1
213.16562	1.1
219.17422	1.5
227.12811	4.9
229.14323	17.1
229.19461	1.4
239.17996	2.0
243.21126	3.3
247.20685	0.8
253.18039	1.3
257.19016	4.6
259.20584	2.6
261.22174	7.8
267.15921	1.4
269.17468	10.5
275.16913	1.3
275.20059	21.4
276.20572	0.9
277.21555	1.0
289.21683	1.4
293.17712	1.0
293.20984	2.2
307.19205	1.1
307.22781	1.1
317.24744	1.5
321.17041	1.1
331.22855	2.5
333.24307	3.1
335.25809	77.5
336.26208	1.0
339.18088	2.8
349.23737	22.0
363.25336	1.6
369.24130	1.4
381.26367	3.6
395.20425	1.0
399.23697	1.9
413.21671	8.8
437.34232	2.4
453.24811	2.1
455.35242	1.2
461.28931	1.4
483.48645	1.0
489.35818	16.4
505.35129	1.4
507.37103	1.8
511.37790	2.4
515.37378	3.4
517.40686	1.2
529.38898	100.0
530.39392	1.5
569.42029	20.9
609.45142	39.1
627.46179	7.8
637.40759	1.9
641.47839	12.0
655.41553	2.5
659.44806	2.2
673.43115	10.1
691.43341	2.4
713.46240	1.8
771.50330	1.3
776.99487	1.0
803.52417	1.6
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
61.02926	1.9
65.03941	4.6
67.05508	77.6
69.03433	4.9
69.07070	21.1
71.01389	0.8
71.04991	10.2
71.31303	0.8
73.02889	1.0
77.03938	1.1
79.05495	52.9
81.03422	7.6
81.07058	77.5
83.04980	5.7
83.08619	12.5
83.09073	1.3
85.02897	2.9
85.06550	4.0
86.09715	1.4
87.04536	0.9
87.69508	0.8
91.05485	37.9
93.07047	61.1
94.07389	0.8
95.04971	7.9
95.08610	44.2
97.02850	4.1
97.06533	10.9
97.10164	7.2
99.08083	1.8
101.06068	0.8
103.05470	1.0
105.04508	1.8
105.07034	27.5
107.04974	3.0
107.08598	37.0
107.51699	0.8
109.02892	1.8
109.06562	3.7
109.10162	24.4
111.04448	1.6
111.08102	4.9
115.05437	1.2
117.07028	14.3
119.08591	22.1
121.06515	3.4
121.10152	22.4
123.04417	0.8
123.08078	3.4
123.11708	6.5
125.09631	2.8
127.03903	1.3
129.05482	3.4
129.07031	3.8
130.07808	0.8
131.08571	17.7
133.06517	1.3
133.10135	18.1
135.08064	3.5
135.11687	14.5
137.09610	2.2
137.13318	1.0
139.11172	1.1
143.08566	4.2
145.06516	1.1
145.10120	12.4
147.11690	9.2
149.09613	5.0
149.13264	10.9
151.11197	2.4
155.08549	1.8
155.10631	1.9
157.10149	3.7
159.08086	1.0
159.11682	11.5
161.09618	1.0
161.13277	4.8
163.11235	1.5
163.14851	1.5
169.10117	1.8
171.11703	3.3
173.04478	1.5
173.09637	0.9
173.11769	2.9
173.13271	6.0
175.11211	1.0
175.14873	1.7
177.12741	3.4
177.16379	1.1
179.14349	0.9
181.10114	1.0
183.11691	3.2
184.07335	3.7
185.13315	2.2
187.14876	2.4
189.11192	1.1
195.12013	0.9
195.13844	2.9
199.14804	1.1
201.16388	1.0
209.15395	1.0
215.18069	1.2
227.12814	3.3
229.14328	17.4
239.17937	1.7
241.19331	1.1
243.21126	2.2
247.20728	1.8
257.18958	4.6
259.20706	0.9
261.22141	8.9
269.17490	8.7
275.20065	15.6
277.21417	0.9
293.21127	1.4
294.80692	0.8
307.22897	0.9
315.23129	0.8
317.24829	0.9
331.22717	2.5
333.24329	1.6
335.25797	80.8
336.26181	1.9
337.27109	0.8
339.18027	2.5
349.23740	12.4
349.27618	1.1
363.25473	1.1
367.24988	1.3
369.24554	1.4
381.26462	2.8
387.25510	1.1
405.26331	1.2
413.21680	8.8
437.34033	1.5
461.28644	1.0
479.29956	1.1
489.35803	19.3
505.35242	1.8
507.36890	2.3
515.37201	2.0
529.38898	100.0
530.38586	2.3
569.42010	5.1
591.43872	1.3
609.45135	36.5
613.40643	1.1
627.45557	4.2
637.40283	1.3
641.47833	15.7
655.42468	1.2
659.45074	0.9
673.43176	16.5
691.43646	2.5
803.53357	1.3
856.48730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.9
65.03937	5.4
67.05508	94.4
69.03436	7.3
69.07072	35.3
70.67035	1.1
71.01349	3.4
71.02003	2.3
71.04992	5.9
73.02913	3.5
77.03950	1.8
79.05499	69.6
80.06281	2.0
81.03417	9.9
81.07058	100.0
82.07371	2.7
83.04992	13.6
83.08619	21.0
85.02888	4.1
85.06538	4.3
86.09702	3.2
91.05485	56.6
92.05795	1.4
93.07047	69.4
94.07341	1.3
95.04977	21.0
95.08609	54.1
96.08948	1.7
96.97652	1.1
97.02898	14.3
97.06537	11.2
97.10184	14.7
99.08113	3.1
103.05470	1.2
105.04515	2.6
105.07037	38.9
106.07327	1.8
107.04965	10.5
107.08600	39.4
109.02888	3.5
109.06530	15.6
109.10165	35.1
111.04434	3.1
111.08099	7.3
116.04715	3.9
117.07021	18.6
119.08586	36.7
121.06516	5.8
121.10148	26.5
123.04445	4.9
123.08072	8.1
123.11704	5.2
125.00005	2.3
125.09631	13.1
127.03902	1.4
127.07536	1.1
127.11174	1.4
129.05511	12.8
129.07022	6.3
130.07803	1.6
131.08578	22.4
132.08949	1.5
133.06494	4.1
133.10141	22.8
134.10526	2.0
135.08069	10.8
135.11694	18.0
137.09625	16.3
139.07535	2.6
139.11229	2.1
141.07047	2.0
142.07761	1.6
143.07022	4.5
143.08589	6.8
143.09552	1.2
145.06441	2.0
145.10136	15.8
146.10396	1.4
147.08037	6.5
147.11688	13.2
149.09648	7.3
149.13264	6.8
149.97180	1.3
151.07552	2.5
151.11127	2.7
153.09102	6.8
153.12820	1.4
155.08603	2.6
155.10646	2.6
157.08615	7.5
157.10129	5.9
159.08044	2.5
159.11702	10.3
161.09651	5.8
161.13272	5.7
163.07504	1.7
163.11186	7.3
163.14847	2.2
164.11404	1.1
165.09146	1.8
165.12746	2.8
169.10117	2.1
171.10155	4.4
171.11673	5.0
173.09579	3.5
173.11794	4.2
173.13277	7.3
175.11226	4.2
175.14795	2.8
177.12704	3.4
177.16359	1.3
179.10858	1.5
181.10051	1.3
181.12245	1.5
183.11737	2.9
184.07338	9.1
185.13292	4.5
187.14819	2.5
189.11208	4.6
189.12810	2.4
193.12221	4.4
195.13820	1.3
221.11697	2.5
223.13266	2.8
224.13649	1.5
227.12712	5.8
229.14297	5.5
239.12787	2.3
241.19537	1.7
241.98868	1.6
243.21077	3.2
245.19179	2.7
253.14328	1.4
255.17651	2.0
259.20554	5.8
260.20972	1.7
261.18579	1.4
261.22107	8.3
269.17215	1.5
271.16986	1.8
273.18488	16.6
275.20114	4.6
277.21609	2.2
289.17987	3.6
291.19647	10.4
293.21008	2.0
294.21649	1.3
295.15387	1.7
307.18954	1.8
317.24390	1.9
333.24146	6.1
334.24466	3.6
335.25809	84.0
336.26172	2.3
347.22198	6.0
349.23956	2.8
351.25031	1.5
363.21619	1.4
365.23230	11.2
367.24814	1.7
381.22839	6.9
399.23807	31.6
431.31711	1.5
489.35843	9.1
503.37643	2.4
529.38611	2.8
570.53650	1.1
573.37872	2.2
607.43384	3.6
608.43756	1.7
609.44635	2.4
625.44690	25.0
626.44635	3.1
627.45392	6.8
641.43787	4.1
659.45215	88.7
660.45526	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88061	1.4
61.02927	3.2
65.03943	7.6
67.05508	100.0
68.05846	2.0
69.03432	7.7
69.07070	36.3
71.01341	2.9
71.04998	6.3
71.08611	2.0
73.02914	4.0
79.05495	80.1
81.03428	8.5
81.07058	98.1
82.07383	1.4
83.04974	10.7
83.08622	20.0
85.02891	5.8
85.06538	3.8
86.09704	4.6
91.05487	53.5
92.05771	1.7
93.07049	74.1
94.07353	2.9
95.04967	24.6
95.08610	58.3
97.02895	13.4
97.06533	12.9
97.10162	16.4
99.04478	1.9
99.08092	2.4
105.04499	1.8
105.07030	42.7
107.04961	11.6
107.07896	2.6
107.08603	45.4
108.08926	1.5
109.06518	15.8
109.10158	37.2
111.02102	1.4
111.04446	5.0
111.08103	6.9
115.05451	2.4
116.04701	5.7
117.07034	18.7
119.08589	31.7
120.08933	2.1
121.06521	7.9
121.10143	25.1
122.10459	1.7
123.04430	3.9
123.08050	7.0
123.11694	8.3
124.99988	2.6
125.09657	14.3
127.07575	1.4
128.06227	2.2
129.05475	12.9
129.06998	6.2
131.08585	17.5
133.06494	3.3
133.09125	2.3
133.10127	27.8
135.08063	10.2
135.11679	18.4
137.05995	2.1
137.09642	19.6
138.10326	1.5
139.07524	2.9
139.11169	1.6
143.07033	2.9
143.08540	6.0
145.06488	2.4
145.10115	18.1
146.10611	1.5
147.08009	6.1
147.10658	1.8
147.11696	15.6
148.12044	1.5
149.09578	6.9
149.13249	8.9
151.07529	3.2
151.11153	1.9
153.09085	7.0
155.10695	1.6
157.08578	8.4
157.10078	3.9
159.08102	1.8
159.11728	12.0
161.09602	7.4
161.13289	7.8
163.11157	8.5
163.14783	3.3
165.09064	1.8
165.12761	2.6
167.10684	1.6
169.10114	2.6
171.10199	3.7
171.11687	3.9
173.09685	2.6
173.11844	2.4
173.13242	5.8
175.11201	4.5
175.14806	3.3
177.09229	1.5
181.12160	2.9
182.17590	1.3
183.11681	2.5
184.07330	15.2
185.13242	2.6
187.13199	1.8
187.14734	1.9
189.11223	6.8
189.12749	2.0
193.12234	5.9
199.14799	1.8
213.16360	1.7
221.11632	3.2
223.13214	2.3
224.13548	1.5
227.12692	6.8
227.17914	2.2
229.14273	7.3
239.12880	2.2
241.19601	1.8
243.21043	3.7
259.20523	4.7
260.20914	1.6
261.22052	7.8
261.24423	1.6
269.17441	1.8
273.18509	14.5
275.20093	3.3
276.20462	2.2
277.21585	2.0
289.17953	3.8
291.19632	10.2
307.19138	2.5
315.22980	1.8
317.24863	1.9
333.24240	5.2
334.24670	4.3
335.25803	86.9
336.26071	2.6
347.22086	5.6
349.23468	1.9
351.25116	3.0
363.21463	1.8
365.23178	13.3
381.22702	6.0
399.23779	32.9
431.31369	1.6
489.35645	10.2
503.37262	2.6
515.37744	1.6
529.38666	3.3
607.43170	3.5
609.43964	3.8
625.44720	27.2
626.44946	3.3
627.45062	9.7
641.44092	5.5
659.45178	86.9
660.45282	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.5
65.03933	2.3
67.05505	46.5
69.03429	2.7
69.07067	12.3
71.04980	2.7
79.05495	37.0
79.05971	1.1
81.03403	2.7
81.07058	48.0
83.04985	4.3
83.08617	8.6
85.02915	2.7
86.09713	3.4
91.05481	22.8
91.06027	1.8
93.07050	37.2
93.07641	1.9
95.04970	11.0
95.08610	30.9
97.02884	2.0
97.06527	2.3
97.10191	5.3
101.39270	0.9
105.04586	1.2
105.07030	15.1
107.04949	5.9
107.08595	27.8
109.06527	4.4
109.10159	15.0
111.08088	1.4
114.09185	1.1
115.05463	1.1
117.07021	9.9
119.08571	17.3
121.06501	3.7
121.10150	13.5
123.08075	2.5
123.11719	3.6
124.99992	3.0
125.09652	3.4
128.06230	1.1
129.07010	2.5
129.53130	0.9
130.99008	1.7
131.08586	9.7
133.06520	1.5
133.10141	9.6
135.08064	13.7
135.11697	9.9
137.09621	3.8
137.14308	1.0
143.08566	2.6
145.06496	4.0
145.10136	9.6
147.08049	1.5
147.11685	4.5
149.09645	2.8
149.13272	4.8
151.11221	1.2
155.08536	1.3
157.10146	1.4
159.08047	1.9
159.11710	4.6
161.09653	3.5
161.13313	2.6
163.07582	3.9
163.11209	2.2
163.14880	1.5
169.10033	1.7
171.05740	4.8
171.11644	1.3
173.09598	1.9
173.13274	5.3
175.14819	1.4
177.16374	1.0
179.14328	1.2
181.67545	1.0
183.11694	1.7
184.07343	8.4
187.14743	1.5
189.11189	1.4
191.10696	1.2
194.82219	1.0
199.05214	2.4
207.10403	1.0
225.16327	1.2
227.12706	5.2
229.09378	1.1
243.17482	2.8
243.21098	4.0
261.19223	1.9
261.22153	14.9
271.16916	3.1
273.22165	1.4
289.17972	6.6
291.19745	1.3
317.24768	2.7
325.15607	2.3
335.25800	100.0
336.26334	1.2
397.30841	1.9
399.19333	70.2
493.95676	1.1
549.39844	1.2
609.44623	1.1
622.59753	1.2
623.43170	6.1
659.40680	53.6
660.39923	1.3
677.41534	1.7
724.82343	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.0
65.03941	3.0
67.05510	63.4
69.03426	7.0
69.07072	35.7
70.57039	3.5
71.04982	7.1
79.05500	66.9
81.03427	18.1
81.07062	100.0
83.04990	23.7
83.08625	46.7
85.02902	7.5
85.06527	2.7
86.09667	2.1
91.04904	3.3
91.05486	54.6
93.07052	52.5
95.01331	2.1
95.04973	79.1
95.08618	39.4
97.02866	2.9
97.06546	15.3
97.10178	30.6
99.04451	8.3
99.08117	3.5
103.05552	1.9
105.07036	50.5
107.04964	30.6
107.08606	47.1
109.06538	16.2
109.10165	24.0
111.04449	24.2
111.08100	12.3
115.05449	2.7
117.07029	20.5
119.08582	45.7
121.06492	13.6
121.10152	26.4
123.04466	2.1
123.08074	30.9
123.11693	5.5
125.05993	2.7
125.09623	25.7
128.06291	2.3
129.07010	11.9
130.07805	1.6
131.08578	29.0
133.06477	3.9
133.10150	24.3
135.08073	14.7
135.11710	20.3
137.09612	9.0
139.07562	2.2
139.11143	4.3
141.06961	2.1
143.08559	12.5
145.06458	6.0
145.09045	3.3
145.10133	36.1
147.08072	17.1
147.11708	17.4
149.06018	2.0
149.09639	35.1
149.13280	3.2
151.11188	3.6
153.09109	4.3
153.12788	8.4
155.08543	3.4
157.10135	11.0
159.08047	3.2
159.11711	15.7
161.09653	10.9
161.13289	4.6
163.11182	44.6
165.09126	5.9
165.12704	2.8
169.10139	4.9
171.10173	6.2
171.11685	6.9
173.09581	6.4
173.11887	1.8
173.13280	7.1
175.11243	9.3
177.12778	5.3
181.12239	7.7
183.11725	3.3
184.07376	1.9
185.09657	2.2
185.13234	2.4
187.11188	4.4
189.11214	21.0
189.12715	2.6
191.10594	7.6
193.12276	7.6
195.11661	2.7
201.12740	2.7
205.12224	6.6
207.13747	1.7
209.11678	2.2
213.16391	1.9
219.13829	2.1
223.13287	42.1
227.12785	22.7
229.19550	2.9
239.17958	5.1
245.19176	3.9
247.20581	2.8
255.17534	3.5
257.18985	7.5
263.20206	1.8
273.15521	2.0
273.18518	44.8
275.20090	62.9
283.15381	3.0
291.19559	71.8
293.21115	40.1
294.21445	1.9
309.20673	7.2
329.21231	3.0
347.22241	21.3
349.23743	34.0
365.23257	47.8
366.23831	1.9
367.24820	57.3
383.24298	19.6
407.29169	1.7
519.33136	1.9
621.41473	11.8
639.42664	38.1
640.41956	2.2
657.43634	52.1
675.44891	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.5
67.05508	65.2
69.03416	6.5
69.06718	3.6
69.07069	32.9
70.06602	3.4
71.04982	6.3
71.53268	3.4
72.89778	1.9
76.40364	2.1
79.05498	63.8
81.03411	11.1
81.07060	100.0
82.07384	2.1
83.04988	19.5
83.08620	39.4
85.02881	2.8
85.06526	3.1
86.09735	4.9
91.05481	55.5
92.05806	2.8
93.06492	4.2
93.07051	61.6
94.07355	3.5
95.04975	38.3
95.08060	3.6
95.08614	41.8
97.02879	3.0
97.06534	18.2
97.10163	21.6
99.04447	4.2
99.08078	4.5
103.05439	3.0
105.04543	3.3
105.07036	51.9
107.04968	28.9
107.08593	35.6
109.02945	2.3
109.06522	22.2
109.10141	23.5
111.04434	14.1
111.08084	9.9
113.06041	4.4
115.05475	3.2
117.07028	24.9
119.04938	3.0
119.08595	41.6
121.06513	12.0
121.10162	29.4
123.04466	2.7
123.08067	23.8
123.11686	3.8
125.09644	20.5
128.06201	3.4
129.07014	16.5
130.07784	3.7
131.04900	2.2
131.08582	28.8
132.08835	3.0
133.06505	6.6
133.10138	33.1
135.08081	14.1
135.11707	16.3
137.09631	9.7
139.11177	3.5
141.07053	3.5
142.07767	3.0
143.08575	13.3
145.06479	4.0
145.10133	36.2
147.08051	13.1
147.11705	17.4
149.09605	24.9
149.13228	3.8
151.11194	5.8
152.15659	2.1
153.09151	2.6
153.12787	4.7
155.08578	4.5
157.10164	10.6
159.08026	4.0
159.11687	15.3
161.09624	12.0
161.13261	6.0
163.11189	35.7
165.09120	5.2
165.12717	4.8
167.33382	2.7
169.10173	4.6
171.11659	7.2
173.09634	8.4
173.13303	7.9
175.11192	9.5
175.14909	2.4
177.12775	4.9
179.14348	3.1
181.10156	3.3
181.12251	7.3
183.11638	3.3
184.07368	8.1
185.13235	5.8
187.11197	4.5
187.14879	3.0
189.11201	14.0
189.12766	4.7
191.10696	5.9
193.12213	5.0
197.13286	2.5
201.12927	2.4
209.11690	2.5
211.14923	2.7
213.16316	2.4
223.13266	7.6
227.12737	9.8
229.14264	2.8
239.17929	7.0
245.18948	4.5
247.20648	2.7
257.19012	9.1
269.17517	3.3
271.16980	2.4
273.18530	39.7
274.18939	4.3
275.20071	64.3
276.20523	5.1
289.18127	3.5
291.19550	60.3
292.19846	5.4
293.21146	10.7
309.20599	6.4
347.22171	18.5
349.23792	49.2
350.24036	5.1
365.23282	41.7
366.23605	3.7
367.24741	21.4
383.24216	13.8
543.36615	12.5
577.32178	2.5
621.41937	11.6
622.41516	3.4
623.42938	5.1
632.24054	2.8
639.42517	37.6
640.42773	10.8
641.43604	4.3
657.43842	25.4
658.43500	6.4
675.45056	18.9
855.45496	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	854.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.1
64.14179	1.3
65.03941	5.5
67.05511	81.5
67.54550	1.4
69.03441	8.0
69.07073	36.0
71.05002	27.6
71.38765	3.1
73.02907	2.5
73.06545	4.1
77.03915	1.9
78.00417	1.3
79.05498	76.4
81.03426	15.3
81.07063	100.0
83.04995	12.6
83.08151	1.8
83.08624	25.4
85.02907	8.0
85.06544	7.3
91.05489	87.3
91.87861	1.5
93.07050	91.5
95.04979	31.3
95.08616	56.8
97.02885	5.6
97.06540	13.0
97.10177	8.9
99.04453	2.2
99.08095	4.4
103.05457	1.9
105.04512	2.5
105.07040	76.7
107.04970	10.9
107.08604	56.4
109.02895	2.1
109.06512	10.2
109.10165	19.5
111.04459	3.5
111.08113	7.1
113.09642	4.6
115.05456	6.5
116.06220	1.9
117.06232	2.6
117.07030	37.8
119.08591	69.4
121.06537	6.8
121.10146	33.2
123.04450	1.5
123.08067	6.0
123.11697	5.7
125.09628	10.2
127.03915	4.8
128.06198	4.2
129.05540	2.6
129.07033	19.7
130.07799	2.3
131.08583	48.1
132.67944	1.6
133.10150	47.8
135.08067	7.4
135.11693	22.9
137.09636	4.6
139.11200	2.5
141.07005	6.3
142.07767	3.9
143.08574	24.3
144.09341	3.7
145.06458	1.6
145.09071	2.6
145.10144	41.4
147.08043	5.6
147.11700	37.9
149.09631	13.2
149.13272	10.9
151.11169	8.8
153.09070	1.6
155.08578	11.5
156.09331	2.7
157.10133	23.7
159.08015	1.9
159.11702	34.8
161.09631	3.7
161.13284	16.3
163.11183	15.2
165.06975	1.6
165.12721	4.5
167.08607	4.0
169.10144	15.8
170.10959	1.5
171.08002	1.8
171.11684	19.7
173.04497	5.4
173.09674	1.8
173.13292	16.4
175.11192	3.8
175.14865	9.1
177.12743	3.4
179.08575	2.1
179.14343	1.6
181.10164	8.3
183.11703	13.9
184.07355	1.8
185.09650	1.7
185.13280	15.1
187.11198	4.2
187.14859	5.7
189.11198	3.7
189.12825	4.1
191.14339	1.9
193.10191	3.1
193.12260	3.0
195.11688	7.2
195.13715	3.4
197.13258	10.1
199.11282	2.2
199.14771	7.9
201.12743	2.1
203.14389	2.1
205.10181	1.9
205.12289	2.8
207.11710	3.1
209.13268	6.0
211.14783	6.0
213.16434	4.6
215.14380	2.0
215.17912	2.0
217.15793	1.6
219.11665	1.8
219.13763	1.7
221.13237	4.1
223.13155	10.3
223.15195	2.4
225.16435	3.8
227.12738	1.5
227.18129	1.9
231.21121	2.7
233.13319	1.7
235.14839	2.5
237.16431	2.3
239.17970	5.2
241.19638	13.3
245.19052	1.9
247.20694	1.4
249.16537	1.8
251.18057	2.6
257.18967	7.5
259.20578	30.8
261.22223	2.1
269.17477	6.2
271.20520	1.8
273.18491	4.3
275.20117	26.4
277.21634	1.9
291.19629	2.0
293.20990	8.7
297.22147	2.1
309.61105	1.7
313.21857	1.8
315.23212	7.8
323.23535	1.5
327.23138	2.2
329.25076	1.7
331.22656	2.8
333.24289	45.3
335.25882	4.7
347.22449	1.8
349.23984	13.4
351.23080	1.6
353.24799	1.6
367.25073	12.5
381.26489	3.2
403.25055	1.8
413.21802	2.6
417.31909	2.1
421.30920	1.7
426.28845	1.5
435.32855	8.5
449.34265	1.6
453.33850	2.8
473.33374	1.9
495.35312	2.6
497.36389	3.9
499.34052	1.6
509.36560	2.9
513.35773	13.4
515.38092	5.3
525.35461	2.1
527.37378	60.3
528.38232	1.8
529.39417	1.4
533.40009	2.8
543.36359	1.6
545.38733	2.2
559.39777	2.1
569.37836	3.0
607.43512	28.5
625.44763	46.3
626.44153	2.3
635.39795	1.8
639.46008	4.0
643.45746	1.7
653.39929	3.4
671.41479	4.6
675.40991	2.9
689.42114	5.0
710.16504	1.7
733.46741	1.7
809.11127	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.0
62.26450	1.6
65.03929	5.0
67.05507	76.2
69.03412	7.4
69.07069	42.6
69.32942	4.6
69.33354	9.9
77.03915	2.8
79.05493	83.1
80.05805	1.7
81.03426	16.0
81.07057	100.0
82.07397	2.0
83.04977	13.9
83.08617	29.8
85.02911	5.0
85.06540	7.0
86.09701	2.1
86.16863	1.5
91.05483	91.8
92.40400	1.8
93.07046	80.0
95.04967	19.0
95.08606	43.8
96.08897	1.8
97.02872	4.1
97.06540	12.2
97.10170	20.1
98.21586	3.0
99.00797	4.6
99.08082	4.3
102.09709	1.7
103.05453	4.5
105.04574	1.9
105.07032	93.1
107.04951	17.7
107.08592	55.8
109.02888	10.3
109.06499	13.6
109.10162	26.6
111.04454	8.1
111.08056	9.2
115.05453	5.6
117.07017	33.4
119.04963	2.4
119.08582	79.7
121.06501	9.9
121.10141	31.8
123.04418	3.2
123.08063	11.7
123.11698	6.3
125.09644	17.8
127.03867	2.1
128.06236	5.6
129.07004	16.4
131.08571	34.5
133.06496	5.2
133.10132	62.1
135.08047	20.8
135.11696	27.7
137.09599	7.6
139.07507	2.4
141.06953	4.7
141.09142	2.8
142.07729	3.4
143.08569	18.4
145.06488	7.1
145.09059	2.7
145.10129	36.7
147.08034	8.8
147.11684	37.5
149.09624	9.9
149.13223	10.1
151.11185	6.9
153.09114	5.5
153.12741	6.3
155.08553	6.8
156.09395	1.8
157.10115	17.7
159.08022	7.8
159.11694	23.6
160.12177	1.5
161.09593	11.7
161.13257	28.0
163.07573	9.4
163.11195	12.3
163.14787	3.3
165.09047	3.1
166.55998	1.9
168.09364	2.7
169.10109	6.7
170.10875	1.9
171.08067	2.1
171.10280	3.1
171.11697	17.0
173.09624	4.2
173.11894	3.1
173.13255	14.6
175.11174	5.5
175.14848	10.2
177.12695	3.1
179.08511	1.8
179.10678	3.9
181.10060	2.2
181.12222	5.6
183.11722	4.9
184.07353	3.8
185.09775	1.9
185.13226	13.4
187.11263	2.6
187.14771	4.5
189.09401	3.0
189.11209	15.1
189.12709	3.6
191.10670	4.5
193.10548	1.6
193.12222	10.7
195.11765	2.8
195.13782	1.9
197.13225	6.0
199.11307	2.7
199.14816	6.4
201.12770	3.5
201.16418	1.8
203.14197	2.1
209.13286	4.4
213.16313	2.5
215.14349	2.3
215.17981	2.9
225.11241	1.9
227.12761	27.8
231.21021	5.4
239.18079	2.2
241.19508	21.9
243.17488	2.7
245.13789	2.7
253.14264	2.9
257.18988	7.3
259.20581	63.3
261.18521	4.0
267.15982	2.6
269.17395	2.3
271.16827	5.7
271.20306	2.2
273.18542	9.9
275.20105	16.3
277.21744	4.1
283.15500	13.1
283.20502	1.8
285.22116	2.2
289.17947	18.9
289.21143	3.1
291.19504	15.6
307.18918	3.2
313.21613	2.5
315.23193	6.0
331.22668	2.3
333.24228	58.1
335.25824	4.2
347.22183	4.4
349.23837	9.5
363.21756	5.4
365.23196	12.3
374.20862	1.7
377.28342	4.1
381.22726	56.9
381.27744	3.0
383.24286	3.4
395.29492	8.2
439.32156	2.6
449.30698	2.1
467.31161	3.6
469.33038	3.7
485.33051	2.7
511.34534	5.3
513.35663	7.4
515.33527	4.9
529.36151	5.8
531.15503	1.7
531.36694	3.8
533.34460	1.8
541.35071	24.1
543.36798	2.2
545.34821	2.6
547.37451	4.6
557.34949	2.7
559.36316	14.9
565.38745	6.2
603.40015	4.1
621.41461	39.9
639.42487	75.2
640.42511	4.1
657.43506	24.0
708.94867	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	854.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04510	1.7
61.02933	7.7
65.03905	1.5
67.05180	2.3
67.05508	30.7
67.05847	3.3
69.03427	10.0
69.07062	10.2
70.06593	24.5
71.04977	7.1
71.52540	3.1
72.08134	8.5
73.02914	3.5
74.90482	1.5
77.18475	1.4
79.05493	34.5
81.03419	93.6
81.07063	37.0
83.04987	22.8
83.06083	1.9
83.08620	33.1
84.04496	5.7
84.08133	16.3
85.02903	47.8
85.06551	3.4
86.09704	11.4
91.03953	8.1
91.05482	45.6
93.07040	21.3
95.04376	2.5
95.04966	38.6
95.08602	15.1
97.02898	12.0
97.06530	6.1
97.10150	6.6
99.08080	2.7
103.05495	1.9
105.07034	32.2
107.04964	9.7
107.08603	11.2
109.02879	2.0
109.06525	7.0
109.10149	4.8
110.07168	8.5
111.04428	5.5
111.08084	16.2
113.05999	3.4
113.66816	1.4
115.05468	3.3
117.07002	3.9
119.08593	27.3
119.46678	1.5
120.08096	5.1
121.06526	2.4
121.10135	10.8
123.08099	3.8
123.11750	2.4
125.09627	3.2
127.03924	4.4
127.07597	1.8
129.07001	19.0
129.10245	9.1
131.08591	15.9
133.06531	3.1
133.10152	19.3
136.07573	3.0
137.05962	1.8
137.09598	2.6
142.07773	3.6
145.04965	2.6
145.10114	3.5
147.08041	5.3
147.11691	25.7
149.09608	11.8
155.21895	1.5
157.10146	20.3
159.09148	2.1
165.12753	5.1
175.11182	25.8
177.05537	1.9
177.49521	1.8
193.12244	68.6
196.11134	1.8
211.13293	82.9
267.15942	41.2
285.16974	79.0
349.21146	1.8
367.22635	3.3
385.23727	6.1
402.74640	1.6
403.24808	2.0
433.25922	2.5
459.27426	37.8
477.22244	2.9
477.28503	41.0
495.29541	100.0
565.57861	1.8
621.32690	2.2
639.33484	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	853.495
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36489	0.5
65.03954	1.2
67.05511	23.2
69.03443	3.3
69.07073	9.3
71.04990	2.7
73.02950	0.6
73.20628	0.6
74.62717	0.6
79.05501	41.6
81.03430	6.4
81.07063	100.0
82.07407	1.2
83.04990	10.0
83.08626	9.7
85.02911	4.2
85.06551	2.1
86.09714	0.8
91.05486	21.1
93.07047	23.4
93.77801	0.5
94.07425	0.7
95.01340	0.8
95.04984	10.5
95.08607	14.3
96.59295	0.6
97.02908	2.0
97.06519	4.2
97.10184	10.1
99.04472	2.1
99.08096	1.1
103.05499	1.2
105.04541	0.9
105.07041	17.2
107.04968	10.6
107.08605	14.6
109.06526	54.8
109.10162	7.8
110.10545	0.6
111.04446	9.4
111.08085	5.5
115.05447	2.4
116.06235	0.9
117.07033	12.5
119.04936	1.2
119.08589	26.3
121.06507	7.6
121.10168	10.8
123.04503	0.9
123.08076	9.3
123.11700	1.3
125.06040	1.2
125.09647	8.9
127.03913	0.6
128.06242	2.0
129.05559	0.7
129.06996	6.2
130.07841	1.2
131.04939	0.9
131.08575	12.4
133.06541	3.7
133.10143	8.4
135.08073	6.5
135.11699	6.8
137.09595	2.9
139.07590	0.9
141.07036	1.1
142.07829	1.1
143.08554	5.4
143.10684	0.6
145.06528	2.8
145.10136	17.2
146.10493	0.7
147.08060	12.4
147.11699	3.9
149.09625	8.0
151.11201	1.3
153.09102	1.1
153.12729	3.7
155.08607	2.7
157.06497	0.9
157.10172	6.0
159.08049	3.1
159.11705	5.3
161.09630	11.3
161.13283	1.3
163.11195	10.8
165.09065	3.2
165.12849	1.0
167.08646	0.6
169.10109	1.6
171.10332	0.8
171.11717	3.5
173.04468	0.8
173.09576	3.1
173.13284	1.4
175.11253	3.3
177.09222	0.6
177.12755	1.1
179.10541	1.0
181.12265	4.9
183.10233	1.2
185.09639	0.7
185.13278	2.5
187.11218	1.6
189.09500	0.9
189.11235	6.9
189.12772	0.9
191.10716	4.7
193.12274	1.4
195.11778	1.8
199.11110	1.3
201.12845	0.6
205.12236	0.7
209.11696	1.4
211.15039	1.0
213.12631	0.8
223.13202	3.7
226.07518	0.6
227.12775	8.0
227.17989	2.4
231.14076	0.8
237.16420	1.3
245.19095	2.0
249.14949	2.8
255.17528	3.6
265.14539	0.8
271.16989	0.9
273.18509	33.6
275.20090	2.0
283.15469	2.3
289.18011	1.6
291.19565	88.9
292.20065	0.8
307.19073	0.7
307.22507	0.6
309.20599	3.4
329.21143	1.5
347.22183	18.6
349.23819	1.1
363.21518	1.1
365.23251	31.8
383.24384	5.2
399.29855	0.6
473.28952	0.7
527.35492	0.7
531.32495	0.8
535.32593	0.8
541.34955	0.6
557.34357	0.8
563.36664	0.7
619.40088	3.2
637.41010	14.2
655.42169	20.4
673.43195	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	853.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33749	2.0
61.02920	2.9
65.03940	8.4
67.05509	82.9
68.05836	2.9
69.03436	13.0
69.07075	56.9
70.06577	2.2
71.01347	3.7
71.05008	10.9
79.05498	83.2
80.05827	3.2
81.03419	23.8
81.07061	93.8
82.07396	3.4
83.04986	29.0
83.08627	46.8
85.02924	14.0
85.06550	5.9
86.91162	2.2
91.05487	77.6
93.07050	72.2
95.04976	89.9
95.08612	49.3
95.09190	4.2
97.02894	9.0
97.06529	19.6
97.10176	31.9
98.20738	5.7
99.00829	4.1
99.04457	10.1
99.08102	2.8
102.09177	3.7
103.05492	3.0
105.04570	2.6
105.07034	60.7
106.07367	2.6
107.04966	35.4
107.08601	60.2
109.02883	8.5
109.06517	26.1
109.10163	22.3
111.04432	23.2
111.08102	13.9
113.06023	2.6
115.05455	6.9
117.07030	34.5
119.04937	3.7
119.08596	52.5
121.06519	24.0
121.10146	34.5
123.04433	6.9
123.08086	15.0
123.11699	7.8
125.06023	4.3
125.09644	26.6
127.03915	6.1
128.06212	3.4
129.06998	13.2
130.07793	4.0
131.08580	38.7
133.06494	11.9
133.10133	37.9
135.04419	2.2
135.08049	19.3
135.11700	19.7
137.09610	9.6
139.11198	3.6
141.07001	6.6
142.07777	3.0
143.08569	15.2
145.06487	9.8
145.10130	37.0
147.08081	18.5
147.11705	19.9
149.02348	8.6
149.06032	3.0
149.09633	37.4
149.13220	3.3
150.02673	4.5
151.02794	2.8
151.07574	4.0
151.11189	6.7
153.09093	5.7
153.12769	10.0
155.08548	7.2
157.10094	13.8
159.08078	9.5
159.11717	15.7
161.09633	21.6
161.13295	4.8
163.07545	10.4
163.11186	41.2
164.11536	4.3
165.09111	4.7
165.12820	5.3
169.10127	7.1
171.08067	5.0
171.11662	6.4
173.04454	3.3
173.09593	8.7
173.11829	4.1
173.13289	6.2
175.11229	7.8
177.12753	6.9
179.10677	5.2
181.12282	5.0
183.11714	3.6
184.07343	2.8
185.09567	5.1
185.13225	5.5
187.11200	8.1
187.14822	2.2
189.09357	4.1
189.11224	18.6
189.12744	3.9
191.10669	4.3
193.12257	20.9
197.13231	4.2
203.14398	2.6
205.12181	6.5
215.17885	2.7
223.13283	50.3
227.12692	13.8
229.19427	4.0
235.43785	2.5
239.17990	5.2
243.17506	4.2
247.20634	5.2
257.19006	10.9
257.26639	3.2
261.18738	3.8
267.16064	3.2
271.17041	8.9
273.18530	22.1
275.20111	82.2
283.15350	7.9
289.18008	34.8
291.19562	15.8
293.21124	45.1
307.19073	6.6
309.16144	3.1
309.20441	2.7
319.76990	2.6
345.20581	2.9
347.22000	5.4
349.23804	34.9
357.20447	4.1
363.21729	14.2
365.23169	7.2
367.24780	52.7
381.22720	90.6
383.19925	3.6
384.20197	2.8
401.21042	3.9
427.19928	3.4
428.19833	3.0
463.30331	3.0
529.37085	3.6
557.34235	3.4
575.36115	2.6
592.31348	3.2
637.41077	10.8
639.41974	6.0
655.42053	35.0
673.43195	100.0
691.41064	5.0
787.41815	3.4
853.40356	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	853.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.7
62.89433	1.3
65.03935	5.5
67.05508	63.7
69.03152	1.3
69.03437	15.0
69.06741	1.9
69.07075	31.5
70.10863	3.4
70.11249	2.4
71.01350	2.1
71.05016	7.0
71.08636	1.3
73.02909	2.1
75.00035	1.5
77.63959	1.3
79.05498	62.6
81.03423	35.2
81.07063	100.0
83.04984	14.0
83.08162	1.5
83.08629	21.6
85.02908	13.6
85.06527	4.0
85.25141	1.1
86.09693	1.8
86.62698	1.3
91.03960	1.8
91.05488	57.1
93.07050	56.7
95.01303	2.4
95.04971	31.1
95.08612	34.1
97.02895	12.0
97.06532	14.5
97.10178	19.4
99.04447	6.1
99.08070	3.3
100.58707	1.3
103.05458	4.1
105.04530	1.7
105.07038	50.0
107.04970	24.8
107.08598	33.1
109.02914	8.7
109.06528	21.1
109.10168	22.0
111.04443	11.2
111.08084	8.5
113.05987	1.4
115.05455	5.5
116.06242	2.6
117.07021	29.8
119.04907	3.6
119.08584	49.9
121.06522	15.9
121.10152	23.4
123.04457	1.9
123.08073	24.6
123.11681	4.2
125.09634	17.3
127.03924	5.7
128.06232	7.9
129.05507	1.8
129.07001	18.2
130.07764	2.5
131.02612	1.7
131.04970	3.0
131.08582	28.9
133.00487	1.5
133.06505	11.9
133.10144	24.7
134.07304	1.3
135.08066	16.5
135.11674	14.0
137.06029	2.5
137.09628	9.1
141.06964	5.9
142.07768	4.8
143.08568	16.9
143.14316	1.3
145.06456	6.8
145.10136	28.2
146.07205	1.7
147.08060	23.0
147.11674	12.1
149.05972	1.8
149.09630	17.4
149.13234	3.5
151.07573	2.0
151.11113	2.9
153.09106	2.4
153.12746	3.3
154.07771	1.7
155.08557	8.2
157.06490	2.8
157.10135	15.8
159.08087	9.3
159.11693	12.0
161.06015	1.7
161.09650	22.9
161.13237	2.8
163.07463	1.4
163.11195	19.4
165.06967	2.0
165.09148	7.4
165.12741	3.3
167.08534	3.7
169.10130	6.2
171.08066	4.9
171.10222	2.2
171.11664	11.4
173.04466	2.0
173.09712	8.7
173.11769	2.2
173.13226	5.0
175.11209	10.0
175.14954	1.8
177.09132	2.9
177.12729	5.5
179.10707	2.5
179.14391	1.6
181.10132	3.4
181.12234	4.5
183.08034	1.5
183.11694	5.2
185.09637	5.7
185.13235	7.0
187.07579	2.1
187.11153	5.6
189.09151	3.9
189.11234	10.1
189.12735	2.9
191.10674	4.3
191.14346	1.6
193.12218	5.6
195.11670	4.3
197.07317	3.5
197.09532	1.6
197.13330	2.3
199.11205	5.5
199.14764	1.6
201.12717	4.3
201.16484	1.7
203.10651	1.9
205.10088	1.5
205.12216	3.7
209.09631	2.1
209.11597	2.0
209.13391	2.0
211.11266	2.3
211.14807	1.5
213.12799	2.3
213.16423	1.5
215.14372	2.6
219.13914	1.6
221.15549	1.3
223.13313	3.6
225.12854	2.1
227.12712	13.6
227.17950	5.1
229.12250	2.9
229.14226	2.2
231.13850	2.4
237.16534	1.8
245.19061	7.1
247.20590	1.5
249.14832	3.3
255.17461	8.0
257.19012	2.5
257.81192	1.3
267.12344	2.8
267.15869	2.2
269.11865	1.7
271.16992	3.1
273.18515	70.0
275.20084	11.8
283.15329	1.8
285.14798	1.7
289.17935	4.1
291.19565	59.5
295.20691	1.5
297.18411	1.8
307.19159	1.8
309.16107	6.1
309.20413	3.2
315.19470	2.6
327.19696	1.7
329.21088	4.2
339.19507	3.0
345.20724	2.4
347.22208	29.3
349.23746	4.5
351.19794	2.1
353.21112	2.3
357.20520	3.6
363.21533	2.2
365.23218	17.9
367.24622	1.6
371.22034	1.6
381.20700	3.1
383.19833	19.6
389.22952	2.0
399.21555	2.6
401.20856	24.2
407.24652	1.3
417.22470	2.6
431.24097	3.7
435.23636	5.5
455.24564	1.8
459.27496	1.6
509.27332	4.7
513.32104	2.5
527.36243	2.1
529.35858	1.8
543.36566	1.8
545.36316	2.8
553.28851	1.7
601.32837	2.2
619.39294	5.2
637.40948	15.9
655.37030	6.3
673.38538	26.0
691.39532	14.6
745.41138	2.0
781.41150	2.2
787.41327	2.8
799.42487	3.1
817.42444	4.4
835.43536	3.7
853.44751	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	852.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	3.0
65.03937	2.6
67.05507	58.5
69.03410	4.4
69.07066	26.1
70.55167	2.4
70.90981	6.0
71.04974	3.6
71.07384	2.6
79.05499	52.0
81.03410	7.0
81.07058	57.9
83.04971	7.2
83.08634	18.5
85.06529	4.0
86.09711	19.7
89.06009	6.8
91.05489	53.8
93.06488	3.7
93.07046	44.9
95.04969	27.7
95.08614	38.0
96.65582	2.8
97.02875	3.6
97.06512	8.4
97.10162	9.4
98.98449	5.4
105.07026	48.7
106.30627	2.8
107.04956	10.1
107.08607	34.3
109.06506	9.7
109.10178	24.5
111.08066	8.4
115.05463	4.3
117.06331	2.4
117.06996	14.6
119.08586	33.1
121.06474	6.4
121.10168	22.5
123.08101	3.7
123.11732	6.3
125.00002	12.9
125.09644	7.2
128.06210	3.6
129.07024	7.7
131.08582	22.4
133.06532	3.6
133.10150	40.9
135.08066	6.5
135.11696	9.6
137.09610	3.5
141.06958	3.0
142.07655	3.2
143.08556	8.7
145.10112	20.1
147.08022	5.8
147.11711	15.7
149.09616	9.2
149.13240	6.0
151.11177	11.5
151.24181	3.2
155.08585	7.0
157.10129	6.1
159.11716	12.4
161.09587	5.3
161.13223	13.2
163.11154	11.7
163.14798	3.4
169.10114	3.3
171.11700	7.1
173.13287	8.0
175.11145	4.3
175.14813	3.9
184.07355	69.2
185.07709	6.0
185.13240	5.2
187.11282	3.7
189.11252	8.5
199.14857	3.1
205.12398	3.7
223.13286	20.0
227.20084	5.7
241.19591	8.3
245.19055	3.0
253.14430	16.2
257.18973	8.1
259.20596	16.6
261.22211	6.8
261.93210	2.6
263.20087	3.7
273.18488	8.2
275.20053	45.7
291.19592	18.2
293.21088	19.3
315.23029	2.7
331.22913	3.8
333.24203	17.0
335.25812	100.0
349.23700	22.7
365.23248	13.4
367.24878	34.6
509.62286	3.4
511.33752	6.7
521.42493	3.0
535.03015	2.8
605.41681	4.4
609.45074	32.3
623.43060	34.1
627.46222	68.9
645.47345	3.2
852.52045	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	852.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.9
65.03921	2.3
67.05508	31.7
69.03422	2.3
69.07072	10.9
71.04960	1.3
75.32244	0.9
79.05497	29.2
79.56008	0.9
81.07058	34.4
83.04971	2.6
83.08618	4.8
85.02894	2.1
85.06556	1.4
86.09705	1.2
91.04909	1.2
91.05484	32.4
93.07049	32.4
95.04964	6.1
95.08611	27.5
97.02871	1.9
97.06515	4.0
97.10149	2.4
99.08046	1.2
105.07037	31.4
107.04944	1.4
107.08598	20.1
109.06512	3.4
109.10159	13.2
111.08067	1.9
115.05437	1.7
116.06219	0.8
117.07029	16.3
119.08580	25.1
121.06507	1.5
121.10156	20.6
123.08070	2.6
123.11751	4.2
125.09625	1.0
128.06207	1.8
129.05528	1.1
129.07037	9.5
131.08578	20.5
133.06505	1.0
133.10135	21.3
135.08078	1.8
135.11723	9.3
137.09616	1.1
137.13223	0.8
141.06982	4.7
142.07813	2.1
143.08557	9.9
145.09064	1.6
145.10132	20.1
147.08009	2.0
147.11705	14.6
149.09631	2.7
149.13275	5.3
151.11212	1.1
155.08568	5.9
157.10146	10.2
159.11688	14.7
161.09575	1.9
161.13297	7.4
163.11172	1.7
163.14839	2.4
167.08507	2.6
169.10103	6.0
171.11685	12.5
173.13268	10.1
175.11229	1.5
175.14847	4.2
177.12756	1.0
181.10085	2.4
182.10992	1.1
183.11737	7.8
184.07364	3.6
184.28618	0.9
185.13257	7.6
187.14845	3.6
189.16408	1.8
193.10091	1.7
195.11670	3.3
197.13269	5.0
199.14793	4.7
201.16418	2.8
207.11696	2.0
209.13261	3.5
211.14844	3.6
213.16403	3.2
215.14372	1.0
215.17888	1.0
219.17484	1.2
221.13251	1.7
223.14865	2.2
225.16425	2.9
227.17943	2.4
229.19490	2.3
231.17606	0.9
231.20927	1.0
235.14847	1.2
237.16388	3.0
239.17917	4.3
241.19762	4.1
251.17961	1.5
255.17313	1.2
257.18994	9.2
259.20605	10.6
261.22284	2.0
263.23859	1.0
265.19485	1.2
267.19434	1.0
271.20544	1.5
273.18439	1.0
275.20193	4.9
283.20340	1.0
285.22284	1.0
297.22037	1.6
299.19962	1.0
309.21994	0.9
311.23682	1.2
313.21786	1.9
313.25101	1.1
315.23111	1.0
323.23474	1.7
325.25220	1.5
327.23029	1.2
329.24536	1.4
331.22656	4.2
333.24283	11.1
335.26117	6.9
339.26730	1.2
349.23898	4.3
351.26791	1.5
365.28421	3.3
369.28058	0.9
381.27591	1.1
393.27350	1.3
403.29910	0.9
407.29156	1.2
409.30725	1.5
421.30917	1.6
423.32568	1.2
433.30197	1.2
447.32098	1.7
461.33578	1.6
465.33719	0.9
473.32715	1.0
485.32977	1.1
487.34100	2.7
497.35983	1.0
499.39853	1.1
501.35645	3.3
513.35876	2.3
515.37518	1.3
517.40533	8.9
527.37683	1.9
535.41650	4.7
539.37292	2.6
540.37769	1.5
567.38678	1.0
591.44128	9.6
609.45160	100.0
610.45709	2.6
623.42999	3.8
717.47241	1.3
771.50055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58655	3.9
67.05506	58.8
69.03424	4.5
69.07066	20.3
70.64206	13.0
71.07369	3.9
79.05489	42.3
81.03418	5.8
81.07061	55.7
83.04995	7.8
83.08627	14.7
86.09706	24.7
91.05487	34.1
93.07047	42.7
95.04974	9.5
95.08617	30.7
97.02948	4.6
97.06529	8.6
97.10123	4.4
99.08111	4.0
105.07026	36.4
107.04950	4.9
107.08580	27.9
109.06494	6.9
109.10172	25.7
117.07024	11.8
119.08549	22.7
121.10123	18.8
123.08089	6.0
123.11745	4.1
125.00001	15.0
129.07037	4.9
131.08574	13.1
133.10118	27.0
135.08064	4.9
135.11693	11.5
137.09612	7.1
145.10117	12.4
147.11734	9.9
149.09637	14.7
149.13263	11.2
151.11165	6.9
157.10161	5.7
159.11676	15.3
161.13287	7.0
163.11168	4.8
173.13298	4.5
184.07335	80.8
185.07677	9.9
186.07764	7.4
195.13622	4.7
199.14935	5.5
225.16557	4.6
253.14281	9.3
255.15930	10.7
257.19058	8.5
259.20490	6.8
261.22021	10.7
269.17529	28.3
273.18417	3.9
275.20056	28.2
302.71979	4.1
309.20377	4.5
317.24615	4.3
333.24146	9.7
335.21622	6.2
335.25787	100.0
349.23706	33.8
365.23444	5.4
367.24896	5.7
460.15030	5.9
515.37384	11.2
529.39026	75.2
609.45227	24.7
623.42737	17.8
627.45947	9.0
637.40375	4.3
669.58777	4.5
852.55328	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	851.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	2.1
61.02919	6.5
65.03935	5.7
66.23604	1.5
67.05508	62.3
69.03433	19.9
69.07075	38.9
70.06564	1.7
71.04995	8.5
71.45813	1.4
71.52682	2.4
73.02921	3.4
74.24299	1.6
78.22785	1.4
79.05012	2.1
79.05495	70.4
81.03421	41.8
81.07060	100.0
83.04987	22.3
83.08625	25.5
85.02914	15.7
85.06540	5.1
85.98325	1.4
86.09705	2.8
91.05488	58.8
93.07047	53.8
94.07381	1.6
95.04971	26.4
95.08620	24.8
97.02897	19.6
97.06536	17.4
97.10183	31.3
99.04456	6.2
99.08095	4.6
101.02348	2.2
103.05460	3.8
105.04501	1.8
105.07039	39.6
107.04962	23.8
107.08607	41.3
109.02862	13.5
109.06525	22.3
109.10163	20.3
111.04458	18.1
111.08092	12.8
111.52449	1.3
115.05463	5.2
117.07028	21.3
119.04926	3.5
119.08586	30.4
119.09385	2.9
121.06519	16.7
121.10139	19.0
123.04439	5.8
123.08074	19.7
123.11717	3.2
125.06049	2.0
125.09639	25.0
127.03932	10.4
128.06252	3.8
129.05467	3.5
129.07010	13.5
131.04918	3.2
131.08586	25.4
133.02753	1.8
133.06503	11.0
133.10141	19.3
134.10405	1.6
135.04416	4.1
135.08072	18.8
135.11728	13.1
137.05977	2.9
137.09610	10.0
139.07552	4.1
139.11160	2.4
141.06981	5.0
142.07733	3.3
143.08574	8.6
145.05000	2.9
145.06499	7.7
145.10107	24.6
147.04436	4.1
147.08086	14.2
147.11708	11.1
149.05984	3.5
149.09662	13.3
149.13249	4.3
151.11179	4.5
153.06984	1.6
153.09100	5.5
153.12775	6.3
155.08594	6.4
157.06467	2.2
157.10158	8.9
158.07352	1.7
159.08058	9.1
159.11697	10.9
161.09628	12.6
161.13283	2.2
163.07539	7.0
163.11186	19.6
165.09113	5.0
165.12723	3.2
167.10760	1.7
169.10161	3.7
169.12070	1.7
171.08047	3.6
171.10321	2.4
171.11620	7.4
173.04533	3.4
173.09602	9.2
173.13289	4.6
175.04018	1.6
175.07608	1.7
175.11189	9.9
177.05527	2.0
177.09106	2.3
177.12813	4.2
179.10707	3.8
181.12317	7.4
183.06573	3.4
183.11665	3.6
184.07428	1.9
185.09700	2.7
185.13242	4.8
187.11186	3.1
189.09502	2.4
189.11235	21.2
189.12772	3.5
191.10599	8.5
193.12238	37.9
195.11731	3.3
197.09724	2.3
197.13301	1.8
199.11156	3.5
199.14851	2.4
201.12715	2.2
203.10701	3.5
209.11629	3.4
211.11345	1.6
215.10756	1.9
223.13239	1.9
227.10672	2.1
227.12753	20.0
227.17953	1.6
229.14326	2.5
243.17542	3.1
245.11705	8.5
245.19032	3.1
249.14893	3.5
255.17429	4.0
259.13379	1.9
261.18521	4.2
263.12875	1.8
263.20273	1.9
267.15988	4.1
269.17633	2.3
271.16937	6.9
273.18472	33.2
275.20035	4.1
283.15442	4.7
289.17972	39.7
291.19565	60.4
292.19986	1.9
307.19119	11.0
309.20615	5.6
329.21027	1.9
333.24158	2.1
347.22159	12.5
355.18988	1.7
363.21774	13.8
365.23288	24.4
381.22763	29.7
383.24365	8.4
386.72372	1.6
415.20874	2.0
433.22159	3.3
451.23297	3.5
502.13705	1.7
509.27255	2.5
517.31403	2.4
525.26794	5.2
527.37500	11.8
533.31073	2.5
545.38391	1.7
561.36157	2.9
573.34033	2.3
635.39233	6.9
653.40503	26.4
671.41553	39.8
672.41522	2.0
689.42657	17.5
716.20819	1.7
737.43488	1.9
757.50671	1.7
767.43414	3.2
779.42877	2.4
785.43872	3.6
797.44073	2.6
815.45233	3.7
833.46008	6.5
851.47668	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	850.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31951	1.2
65.03932	2.2
67.05510	26.7
69.03434	1.7
69.06738	1.3
69.07076	18.9
77.17713	1.0
79.05499	25.9
81.03423	4.3
81.06588	2.2
81.07059	35.5
83.04971	4.9
83.08626	7.1
85.06554	1.8
86.09724	2.1
91.04906	1.9
91.05484	39.3
93.07047	31.6
93.07634	1.3
95.01344	5.5
95.04992	6.2
95.08612	21.4
97.06539	15.2
97.10115	2.5
98.12599	1.2
99.08104	1.7
103.05503	2.1
105.04411	1.2
105.07037	57.9
107.04949	8.8
107.08610	14.7
107.18067	1.1
109.06506	3.4
109.10181	7.0
111.08060	1.7
111.83798	1.1
116.57456	1.1
117.07027	11.3
119.08588	36.1
121.06496	1.9
121.10147	10.1
123.08056	3.5
124.99976	2.9
125.09586	2.1
129.07018	4.2
131.08577	20.8
133.06520	1.2
133.10129	33.9
135.08058	2.4
135.11691	8.7
137.09618	1.4
142.07793	1.9
143.08568	4.4
145.06480	1.5
145.10132	19.2
145.11172	1.9
147.11699	19.7
149.09613	4.6
149.13268	6.8
155.08542	2.4
157.10127	4.5
159.11722	11.2
161.09587	1.4
161.13264	10.4
163.11131	2.7
163.14857	1.6
169.10139	2.4
171.11739	5.4
173.13263	7.1
175.14812	4.3
177.12778	3.3
179.14310	7.9
183.11732	1.9
184.07356	15.2
185.07782	1.5
185.13272	4.7
187.11201	2.5
187.14893	1.6
197.13202	1.5
201.12770	1.9
213.16420	1.4
219.17361	1.3
231.21077	1.7
239.17915	2.2
241.19528	14.5
247.20691	1.1
257.19067	7.2
259.20596	26.3
275.20090	54.0
277.21603	1.6
286.35959	1.1
293.21088	2.8
313.21460	1.4
315.23096	9.1
331.22635	1.5
333.24237	48.9
333.28247	2.5
349.23764	52.4
351.25174	2.1
396.60190	1.2
513.35242	2.4
527.36682	1.2
533.39490	2.2
607.43579	100.0
608.43646	1.8
620.31598	1.2
625.44562	16.5
710.78601	1.3
850.54254	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	850.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03625	0.4
65.03941	6.2
67.05499	2.6
69.03410	1.4
69.07043	1.1
70.06595	21.1
70.69220	0.3
71.04974	0.7
71.08639	3.0
71.52588	0.5
72.08157	0.6
73.40202	0.3
74.06060	0.5
79.01849	0.4
79.05490	2.0
81.03419	2.0
81.07063	3.1
83.04991	0.9
83.08605	0.7
84.08129	0.8
85.02910	0.5
85.10152	1.3
86.09673	0.5
88.07632	24.6
91.05492	2.1
93.07045	1.8
95.04926	1.0
95.08578	1.2
97.02890	0.7
97.06526	0.7
97.10174	0.4
102.09185	19.4
103.01833	0.5
105.03390	0.7
105.07017	1.7
107.04941	0.8
107.08575	1.6
109.02885	0.5
109.06524	1.0
109.10135	1.2
111.04460	0.5
117.06985	0.5
119.08570	1.5
121.02845	2.2
121.03947	0.4
121.06497	0.4
121.10135	0.8
128.24411	0.3
129.07016	0.4
131.04910	0.9
131.08537	0.9
133.02887	0.6
133.10153	1.1
135.08070	0.7
135.11732	0.4
136.01465	0.5
138.09988	0.3
139.03879	1.5
145.10173	0.7
146.11748	0.5
147.04448	1.6
147.08057	0.4
149.02353	82.3
149.03436	6.1
149.09647	0.4
150.02666	0.5
157.10147	0.5
159.11655	0.7
161.09578	0.4
163.11256	0.5
169.10014	0.4
175.03893	2.5
175.11133	0.5
177.05502	2.1
184.07359	1.1
191.07019	1.1
193.04967	45.3
212.23781	1.2
219.06543	2.5
229.14468	0.5
237.07608	9.8
244.47675	0.4
256.26352	58.4
257.26755	0.8
267.16223	0.5
269.04651	0.6
273.18619	0.5
275.20105	0.5
285.17181	0.3
291.19641	0.5
297.03943	0.9
299.19836	0.4
300.29001	2.0
313.07117	1.3
341.06589	4.0
343.08127	0.8
359.07520	1.7
385.09158	8.2
419.10074	0.4
429.11926	1.5
527.37378	0.4
533.10681	1.1
553.28821	0.7
577.13440	9.6
621.16119	9.2
628.88904	0.4
640.34412	0.5
832.38916	2.1
850.40063	100.0
851.40466	4.4
871.19366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	0.7
60.08170	4.9
63.95117	0.6
67.05523	0.9
69.07069	3.9
69.60004	0.8
71.07377	1.5
71.08639	27.8
71.52895	0.8
73.02923	1.4
73.06569	11.2
76.77303	0.7
81.07052	1.1
83.08625	2.8
85.10190	13.2
86.09716	25.4
87.04480	15.4
89.06039	100.0
91.05475	1.2
91.07586	1.2
95.08612	1.0
97.10191	4.6
98.98434	1.6
99.11740	3.0
102.00034	0.7
104.10763	2.0
107.07111	1.3
111.11732	3.1
113.06008	0.9
113.13318	1.3
117.09147	10.2
121.03648	0.7
125.00018	16.5
125.13277	2.3
127.14870	1.2
128.75888	0.6
130.08661	3.8
131.07054	3.4
133.08617	52.5
135.10175	0.9
141.16360	1.3
161.11765	2.8
175.09758	3.4
177.11237	21.9
184.07359	75.3
185.07703	3.3
197.22664	3.1
219.12288	1.0
221.13797	4.7
223.15456	0.7
239.15034	1.0
241.25285	2.3
255.74908	0.7
265.16495	2.4
283.17511	1.2
285.27884	6.9
309.19266	1.2
329.30505	5.5
353.21719	1.5
397.24722	0.9
398.49500	0.7
412.44144	0.9
430.69342	0.7
522.97516	0.8
635.38684	1.2
738.50458	1.0
764.89142	0.7
831.60553	3.2
848.48523	5.5
848.64801	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	847.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	0.9
61.02926	3.8
67.05503	5.0
69.03429	2.8
69.07076	2.4
71.05001	0.7
71.07387	0.5
73.02914	2.6
75.04452	0.4
76.05461	0.4
79.05488	4.0
80.93267	0.4
81.03417	1.7
81.07062	5.6
83.08611	1.2
85.02911	4.9
85.06544	0.4
85.63268	0.3
86.09715	4.4
87.04474	0.4
87.10022	0.7
87.37225	0.4
91.03951	2.7
91.05493	2.1
93.07059	3.9
95.04984	1.0
95.08608	3.5
97.02905	4.4
97.10161	0.5
98.98508	0.7
99.04462	1.4
101.02380	1.1
104.10730	0.5
105.07047	1.5
107.08601	2.1
109.02888	0.8
109.10137	1.9
115.57893	0.4
117.02027	0.3
117.07011	0.5
119.08603	1.2
121.10158	1.2
125.00002	3.3
125.09656	0.7
127.03931	1.6
129.07019	0.5
131.08601	1.2
133.10106	1.0
135.11726	1.1
143.08600	0.4
145.10143	0.7
147.11656	0.9
149.08208	0.5
149.13277	1.0
159.11728	0.7
159.67477	0.4
168.46121	0.4
179.53906	0.4
184.07350	18.1
185.04240	0.6
185.07704	2.0
213.03702	0.4
243.08372	2.6
259.07974	0.5
335.25827	0.8
343.12567	0.4
351.21448	2.6
407.24142	0.5
419.52478	0.4
519.29401	5.5
546.54645	0.4
551.28058	0.4
569.29291	6.0
765.49030	0.5
847.51733	100.0
848.52081	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	846.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.8
62.32044	0.6
65.03948	1.4
67.05513	25.1
69.03431	0.9
69.07074	6.3
69.14297	0.5
69.16387	2.4
69.16818	3.3
70.06591	0.9
71.04985	1.2
73.06548	0.8
77.03922	0.9
79.05502	36.7
81.03429	4.5
81.06594	1.0
81.07066	17.8
83.04995	7.5
83.08618	3.1
85.02914	1.8
85.06522	1.4
86.09708	1.5
91.03934	1.7
91.05488	28.7
92.37837	0.6
93.07052	36.8
95.04982	11.3
95.08611	13.4
97.02892	0.9
97.06535	3.0
97.10175	1.8
98.20750	1.3
99.08052	0.7
103.05496	0.5
105.04516	2.0
105.07047	21.8
107.04940	2.9
107.08607	8.4
109.06528	3.3
109.10152	2.4
111.08085	1.6
117.07050	4.9
119.08591	12.8
121.06492	1.8
121.10139	2.3
123.08059	3.2
128.06221	1.7
129.07028	9.3
131.08551	1.9
133.10141	6.1
135.08041	0.9
135.11722	1.3
143.08583	5.7
145.10139	6.9
147.08113	1.0
147.11703	22.0
156.09404	0.6
161.09627	3.0
161.13245	5.6
163.11195	1.8
169.10117	0.8
171.11707	16.5
171.13170	0.9
184.07431	1.5
189.12779	5.9
201.19170	0.5
207.13821	13.3
263.16431	0.9
268.27130	0.6
279.16055	0.9
281.17496	41.8
469.29663	2.9
487.30603	100.0
488.31006	2.3
631.34381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.573
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	6.1
61.02939	0.2
65.03958	0.2
65.10437	0.2
67.05506	7.2
69.03448	0.2
69.07067	3.2
69.75497	0.6
71.04998	0.3
71.07378	3.3
71.85680	0.1
79.05066	0.3
79.05495	3.6
81.07056	7.7
83.04984	0.6
83.08625	1.8
85.02905	0.3
85.06546	0.5
85.66644	0.1
86.09706	30.1
91.05482	2.9
93.07042	3.8
95.04993	0.4
95.08608	4.5
97.02890	0.3
97.06526	1.2
97.10158	0.9
98.21487	0.3
98.98469	3.4
99.04504	0.2
104.10736	2.5
105.07038	2.0
107.04972	0.3
107.08598	3.0
108.08950	0.2
109.06528	0.6
109.10150	2.6
111.08083	0.5
117.07018	0.9
119.08599	1.7
121.06484	0.2
121.10129	1.4
123.08064	0.3
123.11750	0.9
125.00004	19.9
125.09590	0.3
129.07019	0.2
131.08580	1.2
132.36853	0.2
133.10132	1.5
135.08070	0.2
135.11696	1.0
137.09573	0.3
137.13211	0.2
139.11189	0.2
143.08548	0.2
145.10112	0.9
147.11696	1.4
147.54384	0.1
149.09653	0.4
149.13292	0.9
157.10170	0.3
159.11685	0.9
161.13281	0.5
163.11209	0.4
163.14743	0.2
165.12723	0.3
166.02658	0.2
169.10172	0.1
171.11687	0.2
173.11777	0.3
173.13278	0.2
184.07339	100.0
185.07622	0.8
186.07840	0.2
190.56374	0.1
195.13837	0.4
197.13191	0.2
215.11922	0.2
227.12781	0.4
229.14365	1.1
239.17923	0.2
257.19025	0.5
263.23669	0.3
269.17499	2.7
275.20065	2.3
293.21100	0.6
337.27350	7.9
349.23639	1.7
367.24832	1.7
379.17065	0.2
491.37332	1.3
531.40466	6.6
534.27435	0.2
553.20752	0.2
556.29468	0.2
571.43170	0.4
611.46686	4.1
612.46460	0.2
629.38440	0.2
629.47766	2.7
675.44360	0.2
714.46741	0.2
728.48645	2.1
776.51538	0.4
794.53259	1.5
808.54401	0.2
812.54517	0.7
818.70734	0.2
826.54559	0.7
844.47455	2.8
844.55695	2.3
845.48914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	4.4
61.02924	3.8
67.05508	6.0
68.83004	0.4
69.03425	3.3
69.07070	3.6
71.04992	0.6
71.07373	2.8
71.51932	0.5
72.07711	0.4
73.02921	3.0
79.05502	4.4
80.05789	0.4
81.03387	1.8
81.07064	6.7
83.04971	0.7
83.08583	1.5
85.02917	4.5
86.09708	21.0
87.10043	2.3
87.19949	0.4
91.03971	2.6
91.05482	3.6
93.07053	4.2
95.04974	1.0
95.08616	4.5
96.08935	0.5
97.02892	3.3
97.06487	1.1
97.10146	1.4
98.98489	3.1
99.04440	1.0
101.02350	1.4
104.10735	1.4
105.07015	1.8
107.04945	0.6
107.08583	2.3
109.02826	0.6
109.10129	1.5
117.06966	0.4
119.08607	2.0
121.06564	0.4
121.10161	2.1
123.08069	1.1
125.00009	16.3
125.09593	0.9
126.00356	0.6
127.03885	0.8
131.08577	1.2
133.10118	1.2
135.11671	1.5
142.67464	0.4
145.10130	1.1
147.11652	1.2
149.13226	0.7
159.11736	0.9
163.11221	0.8
163.14691	0.5
173.13234	0.5
184.07350	70.6
185.04254	1.1
185.07697	8.4
201.03728	0.4
243.08411	2.5
243.89885	0.4
269.17453	0.5
275.20096	0.6
291.19580	0.5
293.20541	0.5
301.08997	1.0
335.25928	0.6
337.27277	2.1
338.27786	1.7
349.19958	2.2
373.11115	0.5
405.22440	0.5
431.49643	0.5
497.20224	0.6
519.29303	4.5
531.40631	1.0
532.40857	2.1
567.27856	6.2
574.66864	0.4
591.31323	0.9
611.46747	0.5
612.46863	0.9
727.47601	0.5
729.48706	0.5
759.42480	0.6
795.53802	0.8
827.56500	0.5
845.50037	100.0
846.50739	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	844.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	6.4
61.02925	0.3
65.03945	0.4
67.05506	7.9
68.05823	0.3
68.47980	0.2
69.03436	0.4
69.07066	3.4
71.04992	0.3
71.07375	3.5
73.02908	0.2
79.05498	3.6
79.64296	0.2
80.05840	0.3
81.03428	0.5
81.07056	8.3
82.07394	0.4
83.04969	0.5
83.08620	2.0
85.02898	0.4
86.09707	30.6
87.10031	0.3
87.46873	0.2
91.03972	0.2
91.05479	2.9
91.42653	0.2
91.95715	0.2
93.07046	3.5
95.04967	0.4
95.08611	5.3
96.08930	0.2
97.02891	0.4
97.06555	1.2
97.10181	1.0
98.98467	3.3
101.02365	0.2
101.16067	0.2
104.10738	2.6
105.07029	2.3
107.04943	0.4
107.08598	2.4
109.06517	0.7
109.10159	4.0
111.08080	0.6
117.07018	1.0
119.08570	1.9
121.06524	0.2
121.10157	1.4
123.08073	0.2
123.11699	0.8
125.00008	21.4
125.09626	0.6
129.07014	0.3
131.08578	1.0
133.10115	1.6
135.11673	0.8
137.09621	0.3
137.13321	0.3
145.10136	0.6
147.11685	0.8
149.09616	0.3
149.13263	0.8
157.10056	0.3
159.11674	0.8
161.13274	0.7
163.11180	0.3
171.11566	0.3
184.07339	100.0
185.07718	0.9
186.89284	0.2
189.11191	0.3
195.13835	0.3
227.12709	0.3
229.14339	1.5
229.50629	0.2
231.17297	0.2
263.23590	0.3
269.17523	2.0
274.18747	0.2
275.19992	2.0
293.20999	0.3
335.25522	0.4
336.26074	0.6
337.27350	10.8
349.23706	1.4
367.24817	1.2
384.06992	0.2
491.37375	2.2
531.40375	5.5
611.37775	0.3
611.46655	4.3
629.47638	2.8
674.43250	0.4
728.48944	1.9
758.41119	0.9
768.53613	0.2
776.52063	0.4
794.53601	1.2
808.54810	0.3
812.53333	0.9
826.55231	0.5
844.44275	4.3
844.57916	1.1
845.50201	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	842.562
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	3.0
63.32525	1.3
65.03941	4.0
67.05508	65.4
69.03416	4.9
69.07072	32.2
71.04984	3.8
71.07380	2.1
71.08642	2.1
79.05495	45.6
81.03426	10.3
81.07061	100.0
83.04980	13.1
83.08617	23.9
85.02904	5.3
85.06528	3.2
86.09709	17.8
91.03966	1.5
91.05483	28.0
93.06487	2.5
93.07047	35.6
95.04963	14.3
95.08609	42.8
97.02895	2.2
97.06524	8.2
97.10176	27.6
98.98473	1.9
99.04433	2.9
99.08093	4.5
104.10776	1.9
105.07034	25.0
107.04932	9.4
107.08603	26.2
108.08905	1.4
109.06506	6.4
109.10158	21.1
111.04441	10.0
111.08077	7.3
115.05415	3.0
117.07047	9.7
119.08589	24.9
121.06503	6.4
121.10155	15.8
123.08069	19.3
123.11701	4.7
124.99257	1.2
125.00044	9.9
125.05979	2.3
125.09641	22.4
126.94637	1.4
129.06996	4.5
131.08575	13.3
133.06508	2.1
133.10139	13.6
135.08058	5.8
135.11673	11.2
137.09628	3.9
137.13351	1.7
139.11168	1.9
143.08575	5.6
145.06499	2.0
145.10109	14.8
147.08037	8.2
147.11700	10.0
149.09659	6.6
149.13263	3.3
151.11226	2.0
153.09100	3.2
153.12723	7.6
155.08569	2.7
157.10127	5.7
159.08014	1.9
159.11703	4.4
161.09595	6.0
161.13254	4.6
163.11192	16.2
165.09117	4.3
169.10141	2.1
171.10181	2.4
171.11655	3.6
173.09622	4.3
175.11163	3.8
177.12727	1.6
181.12270	5.9
184.07352	51.2
189.11232	17.6
189.12752	2.3
191.10690	6.1
193.12215	4.3
209.13423	1.4
223.13261	2.4
227.12813	22.6
229.14066	1.5
237.16489	1.8
245.18956	1.7
255.17395	4.1
263.23703	2.7
273.15811	2.5
273.18518	26.5
275.19952	2.7
283.15460	4.2
291.19553	78.6
292.19809	1.8
301.16357	1.5
309.20560	17.4
335.25836	3.9
337.27371	87.1
338.27670	1.7
347.22153	8.1
349.23685	2.7
355.89291	1.8
365.23248	47.0
383.24338	30.4
396.27350	1.5
529.38263	1.4
553.42236	2.6
563.39288	1.7
609.44983	7.1
627.46228	56.1
628.45917	3.7
645.47333	59.8
646.47168	2.0
843.47888	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	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	0.8
61.02930	5.3
67.05508	6.7
69.03434	3.4
69.07063	2.3
71.01365	0.3
71.04983	0.8
71.07371	0.8
73.02918	4.0
76.93286	0.3
79.05493	5.3
81.03426	1.7
81.07060	7.8
82.07407	0.5
83.04996	0.7
83.08632	1.5
85.02912	5.8
86.09711	5.8
87.04501	0.5
87.10047	0.4
91.03969	2.7
91.05494	3.5
93.07042	4.6
95.04989	1.0
95.08609	4.6
97.02895	4.9
97.06528	0.6
97.10192	1.0
98.98476	0.7
99.04482	0.8
101.02373	2.1
103.03964	0.6
103.84119	0.4
104.10770	0.4
105.07043	2.7
107.04958	0.9
107.08601	3.5
109.02894	1.2
109.06494	0.4
109.10143	2.2
115.03939	0.5
117.07041	1.3
119.08604	1.8
121.10159	2.5
123.11720	0.8
124.99999	3.9
125.09675	0.5
127.03943	1.5
129.05544	0.6
131.08597	1.3
133.10127	2.3
135.08057	0.6
135.11699	1.6
137.09665	0.6
145.05009	0.4
145.10147	1.1
147.11717	0.6
149.09799	0.3
149.13242	0.6
159.11717	0.5
161.48286	0.3
163.11192	0.6
184.07350	17.7
185.04268	0.7
185.07680	1.8
185.67839	0.3
233.71661	0.3
240.35033	0.3
243.08429	3.6
249.63228	0.3
256.09406	0.3
275.19766	0.3
301.09155	0.6
335.25775	2.1
336.26166	0.7
337.27203	0.4
347.18375	1.5
357.15344	0.3
364.81174	0.3
369.15350	0.4
439.19470	0.6
467.19388	0.5
519.29309	7.9
533.27203	0.9
565.26447	2.6
591.31543	0.6
627.45575	0.4
628.46082	0.5
646.46674	0.5
737.46478	0.3
757.42102	0.5
843.48584	100.0
844.48621	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	842.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.9
60.08156	4.1
61.02925	1.6
65.03931	2.2
67.05507	55.9
67.07007	0.8
69.03418	4.2
69.07069	26.4
71.04975	2.7
71.07365	2.4
71.08639	1.6
72.13998	0.8
77.03925	1.0
79.05495	33.7
81.03418	9.5
81.07058	78.1
82.07407	1.0
83.04984	9.6
83.08624	16.8
85.02899	4.2
85.06514	1.7
86.09708	22.5
91.03982	1.0
91.05479	23.0
93.07045	32.3
95.04969	11.6
95.08610	41.8
97.02884	2.3
97.06520	7.5
97.10173	19.7
98.21489	2.1
98.98460	2.0
99.04478	1.3
99.08083	2.9
101.09638	1.2
104.10773	1.9
105.07035	18.3
107.04932	7.4
107.08597	21.8
109.06529	6.8
109.09471	1.5
109.10165	20.5
111.04432	8.9
111.08082	6.4
111.11668	1.0
115.05408	0.9
117.07030	7.9
119.04967	0.9
119.08580	21.2
121.06506	5.3
121.10150	13.7
122.10447	1.3
123.08073	15.4
123.11720	6.0
124.74070	0.8
125.00008	15.4
125.09626	14.4
129.06999	4.1
131.08563	9.9
133.06479	2.0
133.10132	14.0
135.08038	5.5
135.11705	9.5
137.09616	4.0
137.13188	1.7
139.11185	2.0
142.24463	0.8
143.08560	3.7
145.06482	1.4
145.10135	10.7
147.08043	7.7
147.11693	8.2
149.09630	5.1
149.13240	3.5
151.11147	1.2
151.14909	0.8
153.09125	2.9
153.12759	5.7
155.08582	1.3
157.10104	4.9
159.11723	4.2
161.09575	5.0
161.13274	3.6
163.11179	12.5
163.12415	1.6
163.14827	1.6
165.09143	4.5
165.12598	0.9
169.10101	1.4
171.10182	1.8
171.11664	2.8
173.09637	2.9
173.13171	1.4
175.11159	3.5
175.14821	2.3
177.12666	1.1
179.10661	0.8
181.12228	5.1
183.11667	1.3
184.07346	75.1
185.13322	2.1
187.14809	1.0
189.11211	10.7
189.12758	1.7
191.10675	2.9
193.12222	3.9
205.12057	0.9
207.13806	1.1
211.13245	3.1
223.13277	3.4
227.12778	12.5
227.17996	1.6
229.25204	1.6
237.16454	1.0
245.13885	1.0
245.19008	2.7
245.22617	1.6
255.17422	3.1
261.22202	1.1
263.23651	2.3
267.16016	1.6
273.18506	20.9
275.20053	2.1
283.15347	2.8
285.16898	1.9
291.19528	44.7
292.19778	1.1
309.20526	8.1
329.21191	0.9
335.25827	5.7
336.26114	1.2
337.27374	100.0
338.27698	2.2
347.22202	7.1
365.23236	32.2
372.44424	0.9
383.24243	18.6
433.33447	0.9
507.36719	2.3
517.39905	1.2
529.38617	2.5
545.38135	1.2
547.40210	5.8
553.42523	1.4
563.39301	2.8
571.43414	1.0
609.45209	8.2
627.46204	46.0
628.46210	1.1
645.47235	44.7
646.46765	1.7
842.56720	6.5
843.47437	4.0
844.35278	1.0
855.82672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.1
60.08162	2.5
61.02932	1.5
65.03938	3.1
67.05506	82.5
69.03419	3.1
69.07071	27.4
71.04995	3.4
71.07388	1.3
71.08633	1.1
77.03941	1.4
79.05498	52.6
81.03428	3.0
81.07057	84.4
82.07402	1.0
83.04994	4.5
83.08624	15.5
85.02899	2.3
85.06544	3.2
86.09708	11.4
91.04903	1.8
91.05481	36.5
93.07047	58.9
95.04970	5.8
95.08609	51.4
97.02893	1.0
97.06532	8.6
97.10168	6.7
97.10683	1.1
99.08101	3.4
105.04562	1.4
105.07035	27.8
107.04954	2.5
107.08601	37.6
109.06521	7.0
109.10159	32.0
111.08071	3.9
117.07017	12.6
119.08588	24.5
119.09227	0.5
121.06497	3.6
121.09332	1.7
121.10145	24.1
123.08059	3.2
123.11713	7.2
125.00005	6.0
125.09633	4.3
129.06998	3.5
131.08575	19.6
133.10139	21.9
135.08061	2.4
135.11696	15.5
137.09605	3.7
137.13272	1.6
139.11172	1.1
141.06938	0.9
143.08575	2.2
144.09276	1.0
145.10109	13.1
147.11688	12.9
149.09628	6.9
149.13260	14.2
151.11209	2.5
155.08577	2.0
155.10686	2.4
157.10141	3.7
159.11710	13.9
161.13309	6.7
163.11182	4.5
163.14836	2.2
165.12712	1.9
169.10155	1.6
171.11691	3.8
173.11757	2.7
173.13277	6.7
175.11237	1.9
175.14885	2.4
177.12779	4.1
179.14430	1.3
183.11702	2.3
184.07339	30.3
185.13242	2.7
187.14838	3.0
195.11940	1.1
195.13818	4.1
195.21266	1.0
197.13329	1.6
199.14842	1.0
217.15767	1.5
219.17410	1.4
227.12825	3.7
229.10081	0.9
229.14323	14.5
229.19572	1.8
239.18004	1.5
243.21146	3.1
247.20520	2.2
255.16029	1.0
257.18988	4.5
259.20584	3.0
261.22153	12.0
269.17487	28.7
275.20081	25.7
277.21686	1.1
293.20972	5.9
316.01746	1.0
317.24890	2.2
333.24109	1.7
335.25812	100.0
336.25958	2.7
349.23770	23.2
350.62604	1.0
367.24805	14.5
413.21967	1.1
437.34082	2.8
455.34821	1.7
489.35687	15.5
499.38724	1.0
507.36661	1.4
511.38083	1.4
527.37286	1.3
529.38904	69.8
530.39154	2.0
547.39557	1.7
549.69196	1.2
569.41974	2.5
609.45105	39.7
627.46185	29.1
673.42444	1.3
804.43549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	1.2
65.03941	3.9
65.50214	1.1
67.05507	54.3
69.03423	2.9
69.07069	21.8
70.76209	1.7
70.76538	1.7
71.04988	3.8
77.03926	1.7
79.05492	60.6
79.74571	1.1
81.03400	3.3
81.07057	55.5
82.44884	1.3
83.04990	11.3
83.08154	2.3
83.08624	35.1
85.02898	3.7
85.06543	4.2
87.04481	1.3
91.05483	66.4
93.07047	66.4
93.07646	2.8
95.04973	50.2
95.08609	39.4
97.02944	1.3
97.06525	9.1
97.10178	11.5
99.04456	3.9
99.08073	1.5
102.69467	1.1
103.05454	2.7
105.04511	1.6
105.07033	71.5
107.02522	1.4
107.04955	11.8
107.08598	46.7
109.06549	7.6
109.10159	17.6
111.04465	8.6
111.08086	7.6
113.09637	2.8
115.05444	1.7
117.07019	25.3
118.06555	1.2
119.08585	58.3
121.06503	4.4
121.09329	2.1
121.10146	28.1
123.08049	6.4
123.11713	3.3
125.09641	8.9
128.06181	2.5
129.05492	1.8
129.07019	11.0
130.07787	1.6
131.07608	2.0
131.08575	31.2
133.09125	2.2
133.10136	40.0
135.08075	6.7
135.11708	19.4
137.09668	2.3
139.11140	2.7
141.07016	1.3
141.30412	1.4
142.07799	2.2
143.08577	11.5
145.06421	1.3
145.10133	31.8
145.64531	1.2
147.08005	3.9
147.11696	35.2
149.09628	23.3
149.13280	8.1
151.11198	3.0
153.09081	1.3
153.12776	1.9
155.08557	4.7
155.10550	1.4
157.10153	11.4
158.10841	1.4
159.08073	1.5
159.11684	24.5
161.09639	2.3
161.13264	20.6
163.11166	24.9
163.14815	2.8
165.12805	3.3
167.08504	1.6
169.10129	6.9
169.46318	1.2
171.10243	2.2
171.11678	14.8
173.09679	2.0
173.13281	10.1
175.11220	1.9
175.14832	9.2
177.12732	4.0
181.10132	1.4
181.12254	1.5
183.11700	4.7
184.07251	2.4
185.13245	9.8
187.11154	3.0
187.14781	4.4
189.11238	6.7
189.12695	2.1
189.16458	1.2
191.10603	1.7
193.12122	1.5
195.11722	2.6
197.13298	5.2
199.14819	5.3
201.16386	2.3
203.14256	1.5
205.12224	5.0
209.13268	2.9
211.13071	1.3
213.16434	1.7
223.13254	28.2
227.12668	1.9
229.19456	3.2
231.17427	1.5
231.21121	4.2
239.17946	4.3
241.19534	23.8
247.20541	2.9
257.19009	10.0
259.20584	52.9
261.22305	2.8
273.18518	2.4
275.20074	42.0
277.21503	2.2
285.22055	2.4
293.21109	21.3
315.23160	10.0
331.22635	2.4
333.24240	80.0
335.25946	1.9
349.23785	14.2
351.25366	1.2
365.23221	1.9
367.24792	39.0
368.25150	1.4
423.32455	1.7
487.34320	1.7
497.36203	5.2
499.34552	7.0
513.35767	2.8
515.38385	2.7
527.37158	2.5
533.39703	3.7
551.41113	3.0
607.43591	24.3
625.44623	100.0
626.45251	2.6
643.45374	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.1
63.78699	1.7
65.03931	5.6
66.19003	2.1
66.93798	1.7
67.05508	90.6
67.09380	2.0
68.05843	1.6
69.03429	8.8
69.07073	37.6
71.04988	8.3
71.37434	2.4
73.02917	2.4
77.03930	2.7
79.05497	91.8
81.03416	14.3
81.07059	100.0
83.04985	12.8
83.08615	24.0
85.02901	10.0
85.06525	6.1
91.05484	92.2
93.03434	2.0
93.07047	90.0
95.04975	13.6
95.08611	62.4
97.02897	6.4
97.06522	11.6
97.10160	7.5
99.08072	5.4
103.05462	3.8
105.04504	2.7
105.07036	80.8
107.04964	9.6
107.08598	56.0
109.02869	1.9
109.06518	8.2
109.10165	22.5
111.08067	6.4
115.05455	3.7
117.07024	33.2
119.08588	63.3
121.06500	5.2
121.10134	31.7
121.61530	1.7
121.83881	2.3
123.08060	6.6
123.11688	7.7
125.09615	7.1
127.03918	3.0
128.06244	4.4
129.07039	17.0
130.07805	1.8
131.08578	46.2
133.06493	2.8
133.09129	2.5
133.10135	50.9
135.08034	6.2
135.11684	30.5
137.09554	5.0
141.06981	7.9
142.07764	3.3
143.08566	26.1
144.09326	2.2
145.10129	37.8
147.08049	3.8
147.11684	35.3
149.09657	12.1
149.13243	15.0
154.07791	2.6
155.08528	10.8
157.10146	23.5
159.08083	4.0
159.11703	33.9
161.09637	5.2
161.13269	24.4
163.11150	7.3
163.14830	2.1
165.06964	2.3
165.12794	2.5
167.08620	4.7
169.10091	14.6
171.11676	20.5
173.04419	2.9
173.13283	16.2
175.11151	3.0
175.14803	8.8
177.12770	3.8
179.08554	2.1
181.10117	5.9
183.11670	15.4
184.07350	3.9
185.09633	1.9
185.13248	13.9
187.11211	2.0
187.14799	6.1
189.12720	1.9
189.16243	2.9
193.10115	4.2
195.11653	8.6
195.13686	4.4
197.13249	7.2
199.14801	7.6
201.16391	3.9
207.11734	2.7
209.13260	7.3
209.15120	1.9
211.14819	6.5
213.16383	3.8
217.16011	2.3
221.13268	3.4
223.14815	3.2
225.16370	3.4
231.21106	2.4
235.14894	2.0
237.16373	3.2
239.18083	2.3
241.19559	15.3
247.20471	2.9
253.14178	2.7
255.15855	16.1
257.19003	6.6
259.20590	47.2
259.23343	2.5
261.22000	3.2
267.15936	3.9
269.17383	15.2
273.18423	4.3
275.20087	20.1
277.21765	2.4
291.19604	2.5
293.21075	3.2
297.22064	2.1
309.21152	2.5
311.23660	1.8
313.21719	2.3
315.23184	9.0
323.23651	2.3
333.20490	3.2
333.24240	48.2
335.25928	2.5
349.23697	12.5
367.24878	4.2
435.32443	6.4
445.30701	3.1
453.33777	4.2
471.34695	2.7
473.34866	2.0
489.35577	3.4
495.34540	2.7
497.36490	2.8
509.36087	3.5
513.35815	28.7
515.37793	4.1
525.35468	2.9
527.37335	61.3
528.38129	2.1
531.36938	3.3
533.39771	4.0
545.38031	7.6
551.41467	2.1
567.40289	3.0
607.43793	26.4
625.44696	28.7
643.44287	4.5
671.40900	4.5
751.47559	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	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05023	1.5
65.03941	4.5
67.05508	54.9
69.03438	5.1
69.07070	19.2
71.04990	4.7
75.21533	1.0
77.03898	1.7
79.05498	52.2
81.03426	4.2
81.07061	49.1
83.04961	5.4
83.08620	20.1
85.02902	2.4
85.06544	2.8
86.09702	1.7
91.05482	51.1
92.05826	1.1
93.07050	45.0
95.04965	5.0
95.08613	28.4
97.06519	5.5
97.10179	31.5
99.08108	1.7
105.04555	1.2
105.07041	50.8
107.04954	4.1
107.08601	53.6
109.02848	1.5
109.06526	4.5
109.10166	20.8
111.08098	4.1
115.05452	3.0
117.07012	19.2
119.08589	39.0
121.06512	2.2
121.10148	17.5
123.08089	3.1
123.11724	11.7
125.00031	1.4
125.09637	25.5
128.06265	4.1
129.05508	1.3
129.07022	12.6
130.07773	1.7
131.08575	21.2
133.06520	1.2
133.10133	31.3
135.08063	4.7
135.11682	10.3
137.09567	1.4
141.07010	3.9
142.07785	3.8
143.08569	15.7
145.10124	23.7
147.08087	1.9
147.11697	20.4
149.09621	5.3
149.13274	5.2
150.65620	1.0
151.11166	2.3
153.09119	1.9
154.07831	1.4
155.08571	9.4
156.09396	1.6
157.10147	14.9
159.11705	18.1
161.09624	1.8
161.13272	10.4
161.92163	1.0
163.11176	3.5
163.14877	1.9
163.24678	1.2
167.08633	4.2
168.09444	1.2
169.10124	9.8
171.10199	3.4
171.11716	14.2
173.11830	1.9
173.13237	10.3
175.11234	1.7
175.14838	5.7
177.12770	1.9
181.10126	4.7
181.12131	1.0
183.11716	10.4
184.07332	5.5
185.09599	1.2
185.13284	10.3
187.11226	2.1
187.13307	4.5
187.14857	4.3
189.11217	13.9
189.16263	1.3
193.10159	1.7
195.11693	5.1
197.13322	10.1
197.14937	1.8
199.14842	5.4
201.16365	2.2
207.11731	2.5
209.11546	1.4
209.13223	6.6
211.14807	6.1
213.16432	4.9
215.17969	1.9
220.37064	1.3
221.13347	2.4
223.14842	2.6
225.16409	5.0
227.12794	21.1
227.18004	1.8
229.19672	1.7
231.21010	1.3
235.14867	2.8
237.16370	2.0
239.17963	5.1
241.19518	7.6
243.15936	6.4
245.13727	1.3
251.18037	2.1
253.19531	1.9
257.18997	6.3
259.20593	14.9
267.21155	1.6
273.18649	1.4
275.20059	16.4
277.21829	1.3
295.20511	1.7
307.20584	1.4
313.21622	1.5
315.23257	2.5
323.23718	1.8
329.24710	1.2
331.22720	1.9
333.24252	14.9
337.28879	1.7
349.23730	15.8
351.25543	1.7
363.26730	2.9
365.28320	9.8
367.26477	1.6
381.31689	3.0
383.29529	3.1
389.17963	1.9
401.00580	1.1
421.30771	2.8
439.32053	5.2
445.30316	1.3
447.32431	1.2
451.32516	1.2
485.32724	2.0
487.39575	1.4
503.33575	3.6
513.35773	7.9
515.38763	7.8
517.35364	1.8
525.36005	1.4
533.39996	8.8
539.36902	1.3
543.36853	1.9
551.40753	3.7
555.36859	1.9
589.42407	2.9
607.43573	52.9
608.43903	2.5
625.44647	100.0
626.44983	2.7
787.49487	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	1.0
65.03937	2.7
65.44826	0.9
67.05505	63.9
68.64858	1.1
69.03441	5.7
69.07071	24.3
69.31922	1.2
69.32322	7.8
71.04984	3.9
71.08627	1.0
72.00032	0.9
73.78790	1.1
77.03885	1.2
79.05494	62.4
81.03423	8.1
81.07057	93.4
83.04974	14.0
83.08621	17.8
85.02913	4.2
85.06534	2.3
86.09678	1.6
91.05483	38.1
93.07047	51.3
95.04971	17.9
95.08609	44.4
97.02916	1.8
97.06530	8.8
97.10168	26.8
99.04453	2.3
99.08085	2.3
103.05454	1.4
105.04504	1.4
105.07038	28.1
107.04961	9.4
107.08598	34.8
109.06528	9.6
109.10160	18.4
111.04448	15.0
111.08090	8.6
115.05460	1.8
115.07482	0.9
117.07021	15.7
119.08586	31.1
119.09470	1.6
121.06532	6.5
121.10149	25.1
123.08080	26.6
123.11702	4.3
125.06020	2.0
125.09630	24.6
128.06215	2.1
129.07010	6.9
130.07782	1.3
131.08575	17.7
133.06505	3.2
133.10130	15.9
135.08072	8.4
135.11699	16.7
137.09573	6.3
139.11194	2.5
140.16798	1.0
141.06970	1.3
142.07782	1.5
143.08618	6.2
143.10704	1.5
145.06480	2.1
145.10115	20.9
147.08070	11.0
147.11682	9.7
149.09618	7.3
149.13280	6.0
151.11197	2.4
153.09125	3.3
153.12747	7.7
155.08585	3.2
157.10121	7.1
159.08086	2.6
159.11696	9.3
161.09634	7.7
161.13283	4.4
163.11180	20.7
163.14810	2.4
165.09146	7.1
165.12753	1.7
169.10181	2.6
171.10164	5.4
171.11691	4.2
173.09598	3.5
173.13268	3.7
175.11137	4.7
175.14792	1.8
177.09134	1.3
177.12846	2.7
177.16457	1.1
179.10704	1.2
181.12206	8.7
183.11752	1.5
184.07341	2.8
185.09613	1.1
185.13281	4.9
187.14781	2.4
189.11230	21.4
189.12769	1.8
191.10692	6.6
193.12260	5.0
195.11754	1.7
199.11281	1.4
207.14096	1.2
209.11797	3.0
211.13275	1.5
213.16440	1.7
221.11736	1.1
223.13289	5.6
227.12785	22.5
227.18011	2.0
241.19635	1.0
243.21161	2.9
245.13794	1.2
245.19040	4.3
247.20644	1.0
249.14864	2.0
255.17435	4.5
259.20630	1.2
261.22153	8.5
263.19968	2.8
273.18475	34.1
275.20023	4.7
277.21658	1.3
283.15424	3.4
291.19543	100.0
292.19821	1.1
299.05701	1.0
309.20615	21.3
317.24820	2.5
333.12628	1.1
335.25793	96.9
336.26181	1.6
347.22125	7.0
349.23901	2.2
365.23233	50.8
367.24570	1.3
377.64200	1.0
383.24295	39.2
383.29208	2.2
431.31250	1.3
502.45508	1.2
505.35696	1.6
515.38000	3.0
533.39880	2.3
551.40552	2.2
561.37341	1.8
607.43823	5.2
625.44629	60.6
626.44702	2.0
636.09814	1.0
643.45691	63.3
644.45697	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	1.7
61.02916	7.1
65.03933	6.0
65.26894	1.5
67.05510	99.2
69.03419	7.3
69.07075	35.0
71.01340	4.9
71.04997	7.5
72.82369	1.5
73.02911	3.7
79.05497	70.2
81.03430	19.3
81.07062	100.0
83.04993	13.8
83.08629	21.6
85.02885	6.2
85.06542	6.4
86.09699	8.6
91.05489	61.0
93.07048	71.8
93.07643	3.0
95.04965	17.0
95.08614	66.7
97.02881	6.2
97.06526	13.6
97.10201	10.3
99.00826	1.6
99.04458	3.2
99.08099	3.7
103.05453	1.8
105.04521	2.6
105.07040	41.9
107.04966	9.7
107.08601	38.4
108.08894	1.8
109.02858	2.5
109.06531	7.5
109.10168	28.9
111.04440	2.8
111.08063	8.8
113.05938	1.7
115.05442	2.3
117.07014	15.6
119.07825	1.9
119.08597	32.6
121.06485	4.9
121.09358	1.8
121.10152	27.2
123.04490	1.8
123.08064	11.7
123.11713	9.9
124.99992	4.9
125.09649	8.4
127.03907	3.5
129.05452	3.3
129.07008	6.3
131.08563	21.2
133.06519	3.3
133.10153	28.4
135.08055	9.5
135.11699	25.6
137.09610	6.8
137.13277	2.1
141.06947	1.6
141.09035	2.0
142.07733	1.8
143.08543	5.7
145.10130	17.1
147.08032	3.3
147.11703	12.2
149.09636	7.2
149.13274	9.1
151.11163	5.7
153.09137	2.4
153.12723	1.9
157.10147	5.3
159.08043	2.4
159.11670	8.6
161.09613	3.3
161.13251	6.5
163.07516	4.4
163.11189	5.0
163.14845	4.2
165.12759	2.2
167.08521	1.7
169.10123	1.7
169.12181	1.8
171.11708	3.5
173.04475	2.8
173.13257	7.1
175.11185	3.8
175.14874	2.5
179.10701	1.5
181.12219	3.8
181.21223	1.6
184.07353	29.1
185.13280	2.3
187.14763	2.0
189.11249	2.5
189.12756	1.8
191.14415	1.5
193.12244	7.2
199.14905	2.6
201.16440	1.7
229.14323	2.8
233.15331	2.0
235.16934	1.8
243.15851	2.7
243.21117	2.9
253.14471	2.2
255.15811	12.5
257.18976	1.6
259.20538	2.5
261.22174	10.4
263.20081	2.1
267.15897	6.8
269.17471	4.1
273.18582	3.6
275.20053	3.4
285.16998	6.6
289.18082	9.7
291.19440	6.1
307.18863	2.3
308.76990	2.0
335.25848	58.6
337.23792	2.8
337.27429	36.9
349.23801	3.8
363.21591	2.5
365.23193	3.9
381.22742	52.1
383.24432	2.6
429.31567	1.7
503.37436	12.9
515.37354	8.6
527.37250	2.6
529.38654	6.0
545.38434	4.1
609.44873	2.6
610.45422	4.2
611.45593	6.5
625.44604	10.6
643.45642	33.1
780.82159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.6
67.05512	56.6
69.03420	4.4
69.07073	30.5
69.70059	7.3
70.63540	1.2
71.05003	7.5
79.05502	52.5
79.05970	2.6
81.03423	11.0
81.07066	62.4
83.04996	18.3
83.08625	46.3
85.02895	6.0
85.06551	3.1
91.05489	48.2
93.07048	54.1
95.04977	98.9
95.08620	36.0
97.02886	1.5
97.06557	10.0
97.10168	15.3
98.21498	2.2
99.04457	7.5
99.08122	3.0
103.05485	1.7
105.07040	44.5
106.07397	1.8
107.04962	19.6
107.08606	43.3
109.06522	15.2
109.10166	17.7
111.04451	17.6
111.08106	9.2
113.06039	1.3
115.05478	1.8
117.07027	18.8
118.07412	1.5
119.08591	41.3
120.08916	2.5
121.06544	10.0
121.10157	27.1
123.08059	12.6
123.11723	4.5
125.09642	17.0
129.07066	6.2
130.07817	2.0
131.08582	30.1
133.06506	3.5
133.10143	28.2
135.08076	8.1
135.11710	16.7
137.09630	6.0
139.11166	3.9
141.06996	3.5
142.07826	1.9
143.08580	6.0
145.06494	3.0
145.10135	34.0
146.10515	1.3
147.08067	5.7
147.11710	19.1
148.12035	1.3
149.09636	38.8
149.13188	3.2
151.11206	3.4
153.09042	3.4
153.12775	3.2
155.08591	3.6
157.10136	5.1
158.10635	1.2
159.11732	16.8
161.09615	5.4
161.13266	6.5
161.68411	1.4
163.11195	40.1
165.09210	1.8
165.12796	4.1
167.10773	1.5
169.10161	6.7
171.10245	2.0
171.11694	4.9
173.09749	3.1
173.11926	1.6
173.13185	6.5
175.11201	3.5
175.14745	2.4
177.12778	7.6
181.12268	3.5
183.11691	5.5
184.07339	5.9
185.11801	1.8
185.13268	3.1
187.11252	4.2
187.14865	2.0
189.11270	17.7
189.12766	2.4
191.10609	1.7
193.12251	3.1
195.11694	2.2
197.13277	3.9
199.14844	1.9
201.12758	2.8
205.12209	6.5
207.13849	3.0
211.13202	1.6
215.14258	1.6
223.13301	66.3
227.12804	2.5
229.19516	6.2
234.26624	1.3
239.17978	5.8
247.20520	2.5
257.19040	13.5
259.20465	2.4
273.18646	3.4
274.18799	1.6
275.20090	100.0
291.19461	4.3
293.21143	61.4
311.22256	3.1
313.21408	1.6
331.22644	2.7
333.24323	3.2
334.24710	3.2
349.23782	60.4
349.28180	2.8
350.24072	3.2
365.23221	2.4
367.24820	83.8
556.37195	1.4
578.01355	1.4
623.42957	16.2
624.43152	5.5
641.44171	41.6
642.44385	5.5
659.45300	52.0
660.46246	2.1
839.46820	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	839.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04970	1.9
60.87479	1.7
65.03938	3.0
67.04698	1.8
67.05507	62.3
68.05875	1.8
68.97426	1.7
69.03439	5.5
69.07070	27.1
71.04996	3.9
73.02913	1.6
79.05493	55.6
81.03430	11.1
81.06589	4.3
81.07059	73.8
82.03713	1.8
83.04993	19.0
83.08620	47.2
85.02919	5.4
85.06554	2.9
86.09718	3.1
91.05485	54.9
93.07042	57.9
95.01297	1.9
95.04977	53.1
95.08612	44.1
97.02913	3.6
97.06538	11.7
97.10166	12.5
99.04443	4.0
99.08079	3.4
103.05473	2.6
105.07030	48.9
107.04974	23.0
107.08593	38.5
109.02895	2.3
109.06523	14.1
109.10153	24.0
111.04460	9.4
111.08112	9.2
115.05465	3.6
117.07013	21.4
119.08588	40.9
120.08884	2.3
120.16194	2.0
121.06509	11.0
121.10146	27.4
123.08053	9.1
123.11720	4.3
125.09635	8.2
129.07011	9.6
131.08562	28.3
133.06534	3.5
133.10135	29.2
135.08061	7.6
135.11687	13.7
137.09624	6.3
139.11162	2.7
141.07050	2.4
143.08585	8.6
145.06479	2.1
145.10126	35.6
147.08051	6.0
147.11700	18.0
149.09624	26.3
149.13326	4.2
151.11189	5.2
155.08577	7.3
157.10167	5.8
159.08052	2.9
159.11726	20.1
161.09633	3.6
161.13261	7.6
163.11188	35.1
165.12756	8.1
169.10147	5.7
171.11681	6.1
173.09608	5.6
173.11926	2.2
173.13293	8.3
175.11156	4.2
175.14798	2.1
177.12741	5.3
179.14288	1.8
183.11678	6.2
184.07281	9.8
185.11667	2.9
185.13304	3.8
187.11201	4.4
187.14856	2.5
189.11247	8.7
189.12749	3.1
191.14316	3.1
193.12218	3.0
195.11812	2.3
197.13197	5.4
199.11108	2.5
199.14735	2.2
205.12260	3.1
207.13879	1.8
215.17909	2.7
223.13280	28.4
227.12759	2.9
229.19530	3.6
239.17918	9.9
246.24014	1.8
247.20546	5.0
257.19016	12.3
273.18503	4.2
275.20065	100.0
291.19620	6.0
293.21158	36.3
333.24280	2.9
335.25827	2.9
338.09113	2.1
349.23743	64.3
367.24786	69.6
473.58047	2.1
623.43188	23.5
624.42847	4.1
641.44049	33.9
642.44238	3.0
659.45404	35.6
677.41010	2.2
839.45532	3.1
840.46014	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93990	0.8
61.02925	4.2
62.31838	0.8
65.03947	4.4
67.05512	85.8
68.08381	0.9
69.03436	8.2
69.07075	26.8
69.80430	2.4
69.80868	3.0
71.05001	18.9
71.08641	1.0
73.02915	2.2
73.06557	3.7
77.03899	1.6
79.05502	63.7
81.03430	10.8
81.07064	86.1
83.04990	11.1
83.08627	15.0
85.02911	6.6
85.06541	3.0
86.09720	5.2
87.04474	3.2
91.03972	1.0
91.04903	1.4
91.05490	43.9
93.07052	68.1
95.04986	11.9
95.08616	50.0
97.02909	5.0
97.06541	11.2
97.10192	4.4
97.34734	0.9
99.04473	1.9
99.08092	4.8
103.05492	1.4
105.04517	1.6
105.07043	32.0
107.04979	5.3
107.08604	32.9
109.02920	1.7
109.06541	7.4
109.10168	17.8
111.04446	1.0
111.08125	4.8
113.09647	3.3
115.05419	1.8
117.07022	16.2
119.08591	22.4
119.45315	1.0
121.06500	3.2
121.10156	27.6
123.08081	4.0
123.11728	6.3
125.00010	3.5
125.09646	2.1
127.03912	3.9
127.07564	1.0
128.06264	1.4
129.05475	2.3
129.07025	6.0
130.07845	1.3
130.95016	1.0
131.04910	1.0
131.08585	19.4
133.06520	1.4
133.10146	20.2
135.08057	3.6
135.11713	16.6
137.09642	2.9
137.13255	1.3
139.11217	1.4
141.06970	2.4
142.07744	0.9
143.08551	4.9
145.04962	1.1
145.10126	14.5
147.08070	2.1
147.11694	12.9
149.09619	7.6
149.13269	12.3
151.11183	2.0
155.08551	2.3
157.10179	5.2
159.08160	0.9
159.11722	11.7
161.09628	1.4
161.13283	5.8
163.11211	4.3
163.14850	1.9
165.12819	1.3
169.10133	2.8
171.11667	3.4
173.04471	2.4
173.09576	0.9
173.13278	7.3
173.48019	0.9
175.11263	1.6
175.14882	2.4
177.12769	3.8
179.14244	1.3
181.10129	1.1
181.75429	0.8
183.11696	3.3
184.07355	18.0
185.13277	4.1
187.11134	1.5
187.14777	1.8
195.13823	5.1
197.13222	1.3
199.14833	1.0
201.16345	1.6
203.63669	1.0
211.14864	1.3
213.16528	1.1
213.21555	1.0
213.48056	1.0
219.17606	1.1
223.14980	1.0
227.12660	1.6
229.14331	3.2
229.19482	1.3
239.17995	2.3
241.62170	1.0
243.12224	1.2
243.20985	1.0
247.20467	0.9
251.16425	1.1
255.15897	1.3
257.19119	5.1
259.20544	2.2
261.22168	5.6
267.15958	2.0
269.17490	10.3
275.20090	22.0
285.14963	1.6
291.19617	1.1
293.17551	1.1
293.21005	2.8
317.24652	1.1
333.24216	1.2
335.25818	77.0
336.26160	1.1
339.18170	2.5
349.23792	15.9
349.27710	1.8
381.26309	4.8
395.20755	1.3
405.26428	1.2
413.21719	4.8
489.35648	3.1
515.37415	13.4
529.38934	100.0
530.39221	3.3
545.37579	1.2
569.42279	4.8
609.45221	28.5
627.46167	6.2
641.47540	7.4
649.40149	0.9
651.45880	1.0
659.41919	1.5
665.51276	1.1
673.42743	3.4
712.10657	0.9
770.70038	1.1
788.54297	1.5
838.49823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.3
65.03920	3.6
67.05511	46.5
69.03409	2.2
69.06731	1.6
69.07074	20.5
71.04980	2.9
71.12673	0.9
73.02920	1.6
77.03906	1.3
79.05501	45.8
79.95319	0.9
81.03420	2.0
81.07066	52.2
82.07387	0.9
83.04974	4.3
83.08624	9.8
85.02895	2.9
85.06536	2.5
87.04446	1.2
91.03936	1.5
91.05489	54.1
93.07050	51.2
95.04987	7.0
95.08617	37.9
97.02876	3.0
97.06544	6.5
97.10209	4.8
99.08081	1.6
103.05455	1.2
105.04490	1.6
105.07041	49.3
107.04965	1.9
107.08604	27.9
109.06526	2.8
109.10159	14.9
111.08080	2.6
115.05410	2.0
116.06255	1.2
117.07032	25.0
119.08589	37.4
120.08871	1.3
121.06562	1.3
121.10155	20.6
123.08057	2.5
123.11748	5.0
125.09602	1.6
128.06218	4.2
129.07016	15.4
130.07768	2.3
131.08583	31.3
133.06575	1.0
133.10144	28.9
135.08051	2.3
135.11703	13.5
137.09651	1.9
141.07011	5.3
142.07758	3.1
143.08586	15.2
145.09065	1.8
145.10143	27.3
147.08043	1.8
147.11705	16.0
149.09593	3.3
149.13274	6.9
153.06981	1.2
153.09138	1.1
154.07793	1.8
155.08569	10.5
156.09291	1.5
157.10138	16.3
159.11700	18.0
161.09586	1.5
161.13286	9.3
163.11194	2.5
163.14790	2.6
167.08591	4.6
168.09462	1.5
169.10168	11.9
171.11697	17.5
173.13269	11.5
175.14891	5.3
179.08577	1.7
179.14323	1.6
181.10146	5.1
182.10930	1.4
183.11711	11.7
184.07410	4.6
184.12402	0.8
185.09641	1.0
185.13269	9.5
187.11098	1.2
187.14865	5.5
189.12737	1.5
189.16397	3.0
193.10135	2.3
195.11754	6.5
197.13274	9.7
199.09657	1.2
199.14847	6.6
199.54565	1.0
201.16414	2.9
207.11728	2.8
207.14165	0.9
209.13322	5.8
211.14833	4.6
213.16403	4.2
215.18034	1.4
221.13313	2.3
223.14839	4.9
225.16379	3.3
227.17938	3.3
229.19510	2.4
231.21060	1.2
235.14961	2.1
237.16443	2.3
239.17967	2.6
241.19550	2.9
241.94528	1.1
243.20978	1.2
251.17960	2.2
253.19577	1.5
257.18997	6.2
259.20645	7.0
261.21951	1.2
263.17871	1.0
275.20050	4.0
277.21796	1.1
285.22101	1.1
295.20477	1.5
297.22012	1.2
301.25235	1.0
309.22000	1.3
311.23651	1.3
315.23129	1.7
323.19650	1.0
323.23666	2.1
325.21738	1.2
331.22763	2.1
333.24350	7.6
335.26007	8.7
337.25302	1.3
345.24228	1.1
349.23959	2.3
351.26758	2.6
353.28952	1.0
363.26349	1.5
365.28366	2.0
377.28119	1.6
379.30179	1.7
391.30142	1.0
407.28845	1.3
409.30865	1.1
433.30853	1.6
435.32220	1.9
447.32751	1.7
461.34091	1.4
465.34128	1.3
487.34387	1.2
499.39484	2.3
501.35666	2.7
515.37317	2.9
517.40515	10.2
521.36169	2.0
525.35297	1.2
527.37183	2.4
529.38995	2.7
535.41522	4.7
539.36829	2.1
540.38599	1.0
541.39075	1.2
591.43903	8.8
608.43994	1.8
609.45142	100.0
610.45245	3.6
621.45111	1.1
641.44696	1.2
717.47266	1.4
750.41565	1.0
753.48450	1.6
771.50232	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	838.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	1.2
61.02933	3.9
65.03956	4.3
67.05509	51.0
69.03413	2.6
69.07071	20.8
69.14936	5.0
69.15363	2.6
71.04981	3.5
71.08633	1.4
73.02891	1.8
77.03914	1.3
79.05496	47.4
81.03407	3.6
81.07060	50.1
83.04987	4.8
83.08615	12.5
85.02925	4.5
85.06521	2.9
86.09686	3.3
87.04462	2.4
91.03946	1.3
91.05485	51.0
93.07047	53.0
95.04976	8.1
95.08611	40.2
97.02879	3.8
97.06538	5.5
97.10165	5.7
99.04385	1.1
99.08077	2.1
103.05447	2.3
105.04492	2.1
105.07034	51.6
107.04935	3.1
107.08596	26.3
109.06513	2.9
109.09485	1.2
109.10166	17.3
111.08073	3.3
115.05430	2.5
117.06240	1.5
117.07021	23.6
119.08585	41.7
120.83469	0.7
121.06477	2.6
121.10143	20.7
123.08047	3.0
123.11707	4.2
124.99997	2.4
125.09626	3.0
127.03886	1.1
128.06255	3.8
129.05486	2.0
129.07004	14.6
130.07747	2.4
131.08574	30.9
133.10139	26.3
135.08055	3.6
135.11685	13.2
137.09627	2.0
137.13257	0.9
139.11208	2.2
141.06992	5.5
142.07762	3.5
142.53085	0.7
143.08577	14.9
144.09383	1.2
145.06488	1.3
145.10129	27.5
147.08055	1.5
147.11697	18.1
149.09648	3.7
149.13248	6.5
154.07829	1.2
155.08562	10.8
156.09315	1.8
157.10133	15.8
159.08084	1.0
159.11703	20.0
161.09587	2.0
161.13264	9.8
163.07689	1.0
163.11169	4.8
163.14839	2.9
165.06998	0.9
165.12747	1.1
167.08504	4.5
168.09323	1.4
169.10136	11.9
171.11699	13.6
173.09612	0.9
173.13290	10.1
175.11235	1.1
175.14827	4.9
177.12717	2.7
179.08537	1.7
181.10089	5.3
182.10867	1.7
183.11705	12.6
184.07347	14.8
185.07753	1.9
185.11800	1.3
185.13261	9.2
187.11156	0.8
187.14830	4.5
189.16380	1.9
191.14290	1.5
193.10129	2.0
195.11664	5.4
197.11667	1.1
197.13304	9.0
199.11186	1.6
199.13139	1.3
199.14806	7.0
201.12694	1.1
201.16385	3.0
203.17949	1.5
207.11644	2.2
209.13261	5.8
211.14806	6.1
213.16452	5.0
215.18004	1.6
217.15808	0.9
218.47475	0.8
219.17551	1.1
221.13222	2.0
223.15018	4.1
225.16388	3.6
227.16133	1.5
227.18086	2.0
229.19632	2.0
231.21019	1.1
233.19168	0.9
235.14809	2.0
237.16402	2.2
239.18033	4.5
241.19569	3.0
243.21028	0.8
247.14815	1.1
249.16464	1.2
251.17984	1.9
257.19077	6.6
259.20609	9.4
261.18503	1.2
261.22125	1.8
263.17831	1.8
265.19449	0.9
269.17429	1.7
269.21063	0.8
271.20819	0.9
274.61145	0.8
275.20123	7.7
279.20984	1.0
281.17175	0.8
283.20511	1.9
285.22049	1.4
293.21194	1.6
295.20551	1.6
297.22006	1.2
309.21878	1.7
311.23492	1.1
315.23038	1.4
323.23657	1.4
325.25165	1.0
331.22678	2.4
333.24243	7.2
335.25894	12.3
337.24890	2.0
339.26730	1.4
349.23877	5.7
351.26782	2.3
363.26544	1.6
365.28506	1.3
367.25320	1.1
369.27762	1.2
379.30090	1.3
381.22888	1.9
381.27478	1.7
383.24420	2.0
395.29404	1.5
405.31546	1.5
407.28549	1.0
409.30814	1.2
421.30603	1.7
425.30814	1.1
435.32819	1.5
447.32462	2.2
459.31247	1.1
461.28757	4.0
461.34488	1.5
469.56171	0.9
475.34122	0.9
487.34354	1.7
495.34476	1.1
499.39377	1.4
501.35623	1.3
513.35913	1.0
515.37500	1.4
517.40503	10.1
521.36206	1.8
527.37225	1.4
529.39685	1.0
535.41498	4.7
539.37048	3.2
553.43201	1.1
591.44043	8.7
607.43262	1.3
609.45160	100.0
610.45331	4.0
621.44653	1.1
623.43073	3.1
641.44403	5.4
735.47968	1.3
753.49146	1.4
771.49854	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	4.7
67.05505	78.8
69.03427	2.7
69.07072	30.2
71.04993	4.9
77.03960	1.8
79.05494	68.0
81.03416	9.1
81.07058	89.7
83.04974	10.7
83.08627	17.9
85.02904	2.1
85.06535	6.3
91.05483	91.1
92.79991	1.5
93.07043	66.5
95.01331	3.2
95.04964	16.3
95.08611	48.1
97.02916	1.7
97.06525	15.8
97.10166	5.1
99.04455	1.6
99.08080	2.4
101.06046	1.4
103.05473	2.6
105.04539	1.8
105.07034	100.0
107.04953	15.9
107.08594	49.1
109.06529	12.0
109.10162	45.5
111.04466	2.0
111.08105	7.5
115.05457	4.1
116.06239	1.8
117.07021	24.7
119.08587	54.7
121.06493	10.5
121.10140	24.4
123.08057	6.9
123.11708	6.3
125.05981	1.8
125.09623	4.8
127.07525	2.2
128.06206	4.3
129.07031	13.8
130.07816	1.8
131.08574	35.4
133.06503	5.2
133.10132	81.4
135.08087	9.3
135.11688	18.3
137.09628	4.0
139.07510	2.2
141.07027	2.6
142.07832	2.9
143.08566	14.0
145.06462	2.5
145.10130	31.9
147.08052	5.4
147.11693	32.3
149.09619	11.8
149.13341	7.8
151.11169	20.7
153.12753	2.0
155.08553	4.7
157.10156	12.6
159.07997	3.0
159.11690	18.1
161.09615	6.7
161.13251	16.1
161.27126	1.5
163.11235	8.4
163.14810	1.7
165.06989	2.0
165.12793	2.2
169.10155	6.6
169.12225	4.1
171.11693	12.8
173.09631	2.6
173.13257	11.8
175.11163	4.9
175.13496	1.4
175.14789	7.1
177.12718	3.6
179.10669	2.6
179.14325	4.6
181.10109	3.2
183.11720	5.4
184.07425	2.8
185.13266	10.2
187.11224	4.2
187.14801	4.2
189.12787	2.2
189.16391	2.0
193.10185	2.5
193.12201	2.1
195.11653	2.6
197.13239	3.9
199.14795	4.1
201.12650	1.9
201.16527	1.9
203.14322	2.9
211.14893	3.6
213.16388	1.6
215.12610	2.8
215.18106	2.1
221.13326	2.1
223.13246	2.2
227.17953	1.6
231.21039	3.5
239.17999	4.1
241.19502	14.2
245.18976	4.3
253.14354	40.3
257.19009	6.3
259.20587	30.3
263.20020	3.1
271.15390	2.7
273.18542	12.3
275.20062	37.6
277.21603	2.3
287.20026	1.8
289.17902	2.1
291.19513	14.5
293.21219	3.8
313.21783	1.8
314.19653	1.8
315.23169	5.6
333.24283	29.9
335.25790	3.4
347.22226	3.5
349.23752	34.5
363.21692	2.3
365.23273	24.2
367.25043	7.5
409.31067	2.1
437.30841	2.5
501.35690	3.8
511.34320	10.9
513.36646	3.7
529.35193	13.3
531.38251	4.8
543.36694	4.7
549.39264	3.2
595.43506	2.6
605.41949	10.1
623.43079	77.2
624.42065	1.9
641.44171	40.6
642.44495	1.9
658.89960	1.6
659.44928	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04974	1.1
61.02874	3.0
61.03160	1.0
65.03929	3.4
67.05505	54.8
67.05833	2.6
68.85104	0.6
69.03429	4.6
69.07069	26.9
69.07411	1.4
71.04993	3.5
73.02859	1.3
77.03878	1.3
79.05494	47.3
79.05920	1.7
81.03416	7.0
81.07056	66.9
81.07515	2.4
81.07746	1.7
82.07391	0.7
83.04976	7.5
83.08617	13.2
85.02921	3.6
85.06521	1.5
86.09672	1.1
87.04443	1.0
91.03932	1.0
91.05481	35.3
93.07045	47.9
93.07618	1.5
95.01286	0.6
95.04970	10.4
95.08605	34.9
96.08868	0.8
97.02900	3.6
97.06525	6.2
97.10169	13.3
99.00764	1.7
99.04392	1.3
99.08027	2.1
103.05457	1.3
105.04481	0.7
105.07037	24.6
105.07694	0.9
106.07307	0.6
107.04327	0.6
107.04960	7.7
107.08591	31.1
109.02876	5.3
109.06520	8.4
109.10152	18.8
111.04467	3.2
111.08087	4.0
111.11684	0.6
115.03868	0.6
115.05377	1.7
117.06248	0.8
117.07005	11.6
119.04918	0.7
119.08580	19.0
121.02835	0.6
121.06511	5.6
121.10145	17.0
123.04430	3.3
123.08042	4.0
123.11692	5.2
125.08805	0.8
125.09628	10.7
127.03874	0.7
128.06195	1.5
129.06992	4.2
131.08569	13.4
133.06502	3.1
133.10126	17.4
135.04396	1.4
135.08052	12.5
135.11700	13.6
137.05936	1.0
137.09602	5.4
137.13222	0.8
139.07512	1.3
139.11185	0.7
141.06915	1.0
143.08568	4.9
145.06480	3.8
145.10107	10.5
147.08092	3.2
147.11676	7.1
149.09598	2.9
149.13232	6.2
151.11183	3.3
153.09048	2.1
153.12704	2.4
155.08536	1.6
157.10091	3.6
159.08073	4.8
159.11696	5.9
161.09615	7.5
161.13283	3.9
163.07530	8.1
163.11189	4.2
163.14758	2.6
165.09056	0.9
167.08586	0.9
169.10075	1.4
169.12224	0.8
171.07993	1.2
171.10080	1.7
171.11530	1.3
172.24355	0.6
173.09581	2.7
173.13271	4.8
175.11128	2.3
175.14738	1.4
177.09001	0.8
177.12665	1.1
177.16383	1.1
179.10593	2.4
179.14246	0.7
181.08545	0.7
181.10037	0.9
181.12189	1.8
183.11649	1.4
184.07280	2.5
185.13196	1.1
187.14781	2.3
189.09229	1.3
189.11163	6.2
189.12715	1.5
191.10611	1.9
193.12234	12.7
197.13237	1.0
199.14819	1.4
209.13370	0.8
211.14830	0.8
215.18010	0.9
219.13777	0.9
221.11714	1.0
225.11179	1.0
225.16383	1.3
227.12743	8.9
227.17920	0.7
237.16566	0.8
239.12820	0.7
243.17406	2.5
243.21089	4.3
245.13745	1.1
253.15990	0.9
257.18896	0.7
259.20517	1.6
261.18573	3.4
261.22107	10.7
269.17664	0.7
271.16916	5.1
271.19659	0.8
273.18420	2.4
273.21863	0.8
275.19891	1.4
279.20047	0.6
279.23172	1.1
283.15259	4.3
289.15518	0.8
289.17978	21.1
291.19528	2.1
291.22794	0.9
307.18936	5.2
317.24728	2.5
331.22873	0.7
333.24176	1.2
335.25793	91.2
336.26212	1.3
345.20581	0.8
349.23959	1.4
361.05804	0.8
363.21701	7.2
365.23401	0.8
379.30112	1.3
381.22714	100.0
382.23282	1.9
397.31064	2.8
408.95032	0.7
431.31622	0.9
453.33423	0.6
499.34210	0.9
513.36597	0.6
515.37305	2.3
517.35297	1.0
525.36322	0.8
527.37775	1.3
531.38245	0.8
543.36853	5.7
549.39587	2.0
561.38257	1.3
567.40753	2.1
605.42310	0.9
623.43048	13.9
641.44128	62.5
642.44452	1.7
659.45026	2.2
801.46039	0.6
838.52570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04963	0.8
61.02892	2.1
65.03948	3.1
67.05508	49.7
67.05835	2.0
67.65067	0.7
69.03426	3.2
69.07072	24.0
69.07421	0.9
69.13970	6.6
71.04942	1.8
71.08601	0.8
73.02885	1.0
77.03867	0.8
79.05495	43.3
81.03422	6.7
81.07059	63.1
83.04986	6.8
83.08623	11.9
85.02917	2.9
85.06496	2.1
87.04419	0.7
91.03938	1.4
91.05482	27.9
93.07047	44.5
95.04962	8.8
95.08608	37.7
95.09178	0.9
97.02899	2.8
97.06535	5.2
97.10168	9.5
99.00761	2.1
99.04422	1.6
99.08022	2.0
103.05418	1.4
105.04468	1.0
105.07031	20.3
107.04964	6.4
107.08595	29.4
109.02894	3.8
109.06519	8.3
109.10162	16.3
111.04443	3.0
111.08075	3.7
112.82338	0.5
115.05405	1.5
117.07021	9.7
119.04927	1.0
119.08585	18.2
121.02827	0.9
121.06522	5.2
121.10149	18.7
123.04375	2.4
123.08041	3.4
123.11710	4.5
125.02336	0.8
125.09642	8.6
127.03873	0.6
128.06229	1.3
129.07033	2.8
131.08575	13.1
133.06442	2.3
133.10136	13.5
135.04395	1.0
135.08064	10.1
135.11696	10.8
137.09645	3.8
137.13217	1.4
139.07484	1.8
141.06935	0.9
142.07727	0.8
143.08557	3.7
145.06493	3.6
145.10115	9.4
147.07993	2.1
147.11681	7.0
149.09616	2.9
149.13248	4.8
151.11206	3.3
153.09052	1.8
153.12695	2.4
155.08505	1.6
157.10080	2.9
159.08037	3.7
159.11694	6.9
161.09564	4.9
161.13194	2.3
163.07552	5.9
163.11131	3.0
163.14867	2.8
165.09029	0.9
165.12770	1.2
169.10060	1.7
171.08054	0.9
171.10126	1.6
171.11652	2.0
173.09560	1.2
173.13220	4.9
175.11137	1.6
175.14780	1.5
177.09047	0.7
177.12750	1.3
177.16350	1.2
179.10643	2.2
181.08640	0.7
181.10068	0.8
181.12297	1.3
183.11621	1.5
184.07323	1.6
185.13258	1.3
185.35783	0.6
187.14783	1.7
189.09201	1.0
189.11166	4.4
189.12798	1.0
191.10686	1.2
193.12230	11.8
197.13205	1.0
201.16371	1.3
207.10136	0.7
211.13124	0.7
215.17793	0.9
225.11241	0.8
225.16309	1.0
227.12762	7.9
233.22560	0.8
239.12772	1.0
241.19572	0.8
243.17395	2.7
243.21072	3.3
245.13818	1.0
253.15877	0.7
257.19159	0.8
259.20584	1.2
261.18509	3.4
261.22101	12.0
271.16949	4.3
273.22263	0.6
275.20123	0.9
277.21548	1.0
283.15475	2.3
289.18002	17.2
291.19586	1.4
307.19000	3.6
317.24667	3.6
331.22632	1.2
333.24347	1.5
335.25803	100.0
336.26208	1.6
349.23804	1.4
363.21625	6.6
365.23645	0.7
379.30048	1.0
381.22723	69.6
382.23120	1.3
397.31171	2.0
415.32028	0.7
418.71246	0.6
451.32089	1.2
469.33109	0.9
499.33658	0.8
505.35510	0.7
513.36536	0.8
515.37335	1.4
517.34906	0.8
527.37531	1.0
531.37817	0.8
543.36877	5.0
549.39020	1.2
561.37946	1.3
567.40302	1.3
605.42017	1.3
623.43091	14.3
624.43341	0.7
641.44116	86.4
642.44659	2.2
659.45410	1.3
717.75891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	5.6
66.49149	1.3
67.05509	59.7
69.03421	6.5
69.07072	18.8
69.43047	3.2
69.43453	8.2
71.04984	5.1
73.02949	1.8
79.05499	60.1
81.03422	8.6
81.06592	3.4
81.07062	67.1
82.07391	2.8
83.04979	8.3
83.08633	15.7
85.02920	4.0
85.06552	11.5
86.09715	4.1
87.92661	1.5
91.05489	53.6
93.07050	51.3
93.07636	2.1
95.04978	48.0
95.08614	32.1
97.06526	9.5
97.10160	7.7
99.08073	2.6
103.05460	2.8
105.04507	3.0
105.07037	50.5
107.04976	14.8
107.08598	30.3
109.02901	2.1
109.06524	52.8
109.10150	15.0
111.04449	5.8
111.08094	4.7
113.06020	25.2
115.05420	3.9
116.06197	1.6
117.07019	23.0
119.08595	42.4
121.06573	7.8
121.10150	19.3
123.08060	6.7
123.11723	4.6
124.99999	3.6
125.09627	4.7
128.06218	3.8
129.07039	13.4
130.07803	2.0
131.08586	29.9
133.06459	4.1
133.10152	30.5
135.07018	1.7
135.08066	34.2
135.11696	14.9
136.08418	1.8
137.09634	3.8
142.07793	2.4
143.08585	14.5
145.10127	26.5
147.08051	5.6
147.11681	15.4
149.09633	13.5
149.13272	6.5
151.11211	3.1
153.12828	2.0
153.29579	1.7
155.08571	3.9
157.10175	12.7
159.08081	3.6
159.11702	15.5
161.09612	9.7
161.13278	11.1
163.11182	15.8
165.12807	2.3
167.08594	2.3
169.10150	4.3
171.11699	7.4
173.13280	8.7
175.11215	5.4
175.14838	4.3
177.12715	4.7
181.12325	2.0
183.11714	5.6
184.07385	10.8
185.13275	6.1
187.11215	3.8
187.14783	2.0
189.11218	2.8
189.12794	1.9
191.10637	2.7
193.12231	2.1
195.11815	2.8
197.13257	2.8
199.14810	4.6
201.12778	3.1
205.12202	2.4
217.15883	6.2
223.13289	5.5
227.12723	1.9
229.19571	2.0
239.17995	2.4
241.19510	7.3
245.19002	2.3
255.17366	3.0
257.18973	9.1
259.20602	12.8
269.17447	1.8
273.18530	18.4
275.20084	36.7
276.20337	2.9
279.15967	3.8
291.19568	49.8
292.20032	2.1
293.21133	10.4
315.23083	4.4
319.14890	1.8
322.16394	1.6
331.22723	1.7
333.24228	33.2
347.22107	5.5
349.23767	40.0
350.24554	3.1
365.23230	17.0
366.23788	2.0
367.24792	5.7
418.09497	1.6
501.34793	1.8
513.36304	2.1
531.38092	2.7
543.37897	1.9
549.39032	2.3
577.32819	2.5
595.33777	2.0
605.41895	9.3
623.43091	100.0
624.43347	3.4
641.44189	25.9
659.45148	3.8
838.45233	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	838.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02955	1.0
62.85581	1.0
65.03948	5.5
65.84496	1.2
67.05512	73.2
69.03445	6.6
69.07074	26.7
71.05001	6.9
71.44444	1.0
73.02932	1.3
77.03935	2.6
79.05499	68.4
81.03416	7.7
81.07066	84.7
83.04985	11.4
83.08624	14.8
85.02904	3.5
85.06557	5.1
86.09735	1.2
87.04489	1.4
91.05489	100.0
93.07053	70.7
94.07328	1.2
95.04977	14.5
95.08615	37.2
97.02941	1.4
97.06540	10.0
97.10196	6.6
99.04443	2.7
99.08135	2.6
103.05469	2.4
105.04542	1.5
105.07043	89.8
107.04958	8.7
107.07877	2.5
107.08607	50.4
107.16277	1.1
109.02908	1.3
109.06500	9.2
109.10165	48.9
110.10530	1.1
111.04485	1.2
111.08105	5.1
113.06020	2.2
115.05463	3.2
116.06216	1.0
117.07029	25.3
118.44204	1.1
119.08592	56.0
121.06532	7.7
121.10162	20.6
123.04437	1.9
123.08097	5.8
123.11726	9.7
125.09639	3.2
127.07578	1.3
128.06235	4.6
129.07018	15.1
130.07817	1.2
131.08582	28.7
133.06500	3.9
133.10139	85.2
135.08078	8.0
135.11714	18.0
137.06065	1.7
137.09627	2.8
139.07626	1.7
139.11247	2.0
141.07072	3.2
142.07817	1.7
143.08575	16.9
144.09322	1.4
145.06520	2.2
145.10121	24.2
146.07349	1.4
147.08075	4.1
147.11699	31.0
149.09618	8.4
149.13283	7.3
151.11191	26.4
153.09224	1.5
154.07889	1.2
155.08585	5.3
156.09293	1.2
157.06514	1.4
157.10155	13.4
159.08127	1.6
159.11700	18.4
161.09656	7.1
161.13264	19.6
163.11180	5.6
163.14815	1.3
167.08600	1.7
169.10173	4.6
169.12262	3.8
171.11714	13.0
173.09651	1.8
173.13289	9.3
175.11215	2.8
175.14893	7.5
177.09195	1.3
177.12798	2.1
179.10709	2.2
181.10135	3.1
183.11714	5.2
184.07390	4.3
185.13245	9.7
187.11206	2.7
187.14851	4.6
189.16402	1.4
195.11761	2.6
197.11661	1.2
197.13342	3.0
199.11111	1.4
199.14757	5.7
201.16513	2.7
203.14355	1.2
209.13289	1.8
211.14886	1.5
213.12718	1.3
213.16409	2.9
215.12785	3.1
215.17992	3.0
217.19699	1.4
219.11613	1.4
221.13338	2.1
223.14804	1.6
227.17860	2.1
231.17485	2.7
231.21144	6.1
239.17949	2.2
241.19557	17.3
245.19008	3.8
253.14366	71.9
254.14771	1.7
255.17667	2.3
257.19043	4.9
259.20605	49.5
263.20117	4.3
271.15512	2.2
271.20575	1.7
273.18607	14.3
275.20129	7.8
277.21664	1.6
287.20148	1.5
289.18140	2.5
291.19577	18.1
293.21243	1.4
297.22275	1.3
313.21637	2.2
315.23175	9.3
331.22827	1.6
333.24265	51.6
334.24860	1.5
335.26074	2.6
339.26981	1.3
347.22168	2.6
349.24002	5.6
353.28534	2.4
355.02377	1.2
363.21799	2.8
365.23279	32.4
367.25522	1.3
391.25461	1.7
409.31171	2.0
419.29373	2.7
437.30597	4.7
455.31656	3.7
483.34863	1.6
487.34415	2.0
501.35672	4.9
511.34283	18.0
513.36737	2.7
525.35577	1.5
529.35315	22.5
531.38147	5.4
543.36542	2.8
549.39349	5.1
567.40588	2.0
587.41199	1.8
595.43939	1.5
605.42267	9.2
609.44647	2.6
623.43127	56.8
624.43909	1.8
641.44257	11.4
838.50299	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.6
66.63396	0.5
68.05026	1.5
70.06594	54.6
71.05000	1.0
71.08828	1.0
75.05600	10.7
79.05502	0.6
81.51147	0.6
83.06108	1.5
84.04507	26.1
84.08128	1.3
85.07634	0.6
86.09703	0.6
91.05479	7.6
93.07044	0.6
95.04967	0.6
95.06093	2.8
95.47643	0.5
96.04485	1.6
97.02885	0.7
97.07648	2.7
98.06039	1.0
101.07149	10.8
102.05522	3.1
103.05450	1.8
107.05000	0.5
110.07151	0.6
112.08733	21.5
113.07145	4.9
115.08701	9.5
118.06551	0.9
119.04945	4.9
120.08114	29.0
121.06549	0.8
121.20063	0.5
122.06030	0.6
124.03931	1.5
124.08700	1.3
125.07109	0.7
129.06595	4.4
129.10213	0.6
130.05035	0.8
130.09772	0.6
130.74611	0.5
132.08078	2.1
136.07582	74.9
138.06635	0.6
140.08226	1.9
141.06596	3.6
146.06026	0.7
147.04436	1.5
148.07585	3.6
148.08661	0.8
152.03461	3.0
152.08226	2.5
152.74406	0.6
157.10851	0.8
158.09248	0.5
159.07716	0.8
160.07616	1.2
167.08199	1.8
169.06107	7.4
176.07071	0.8
177.10301	3.4
181.04953	1.0
181.09735	1.2
186.08746	6.5
187.07109	3.6
187.08629	0.8
188.10652	0.6
193.09727	17.1
195.07671	2.1
199.12341	1.1
200.10641	0.6
203.08250	1.0
205.09691	3.7
207.13937	0.6
212.10408	1.7
213.08784	1.4
215.08141	0.9
216.14906	1.0
217.13445	0.6
221.09200	3.8
222.12454	1.6
223.07233	1.4
232.10883	0.7
233.12877	0.8
240.09645	0.6
241.08159	4.2
242.12918	4.2
244.14467	3.5
258.10919	1.0
259.15536	13.4
260.13971	0.7
270.10544	0.6
280.09378	1.1
281.07758	0.8
287.15051	1.9
288.13422	1.5
297.12073	1.1
298.10303	3.5
303.14536	5.0
304.12924	2.7
315.13141	1.0
316.13254	0.7
325.12622	0.6
332.12607	0.7
332.17487	0.6
333.15750	0.9
338.09869	0.8
344.17270	0.5
355.12582	1.1
360.16733	1.4
361.19940	1.0
377.19479	0.9
417.17871	0.7
444.23535	1.0
472.23752	0.6
572.25787	0.6
573.27722	0.8
655.93292	0.6
793.36505	0.8
821.36237	1.6
838.38422	100.0
839.38336	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	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75426	2.9
61.02917	5.7
65.03949	3.9
66.34064	2.8
67.05185	5.0
67.05511	73.5
69.03452	16.7
69.07075	28.8
70.06568	4.9
71.01385	3.7
71.04997	7.8
71.93212	3.1
74.81273	2.9
79.05504	68.7
81.03429	38.3
81.06598	5.5
81.07063	100.0
83.04990	18.3
83.08640	26.1
84.08137	5.4
85.02909	10.7
85.06543	6.1
86.09714	7.1
88.62535	3.2
91.05488	55.0
93.07049	54.9
94.07370	5.1
94.69946	3.3
95.04982	21.5
95.08616	35.6
97.02882	10.3
97.06557	19.3
97.10159	22.5
99.04453	5.7
99.08060	3.7
105.07040	40.2
107.04951	19.8
107.08601	45.3
109.06519	20.5
109.10151	28.5
111.04438	8.9
111.08063	10.4
113.06042	6.9
117.07018	18.9
119.08592	39.5
120.08957	4.4
121.06549	14.3
121.10135	18.3
123.08106	14.2
123.11662	5.2
125.09655	20.8
127.03909	6.0
128.06207	3.0
129.06978	8.5
129.10204	2.9
131.08582	28.3
133.06425	6.6
133.10167	27.3
135.08043	13.7
135.11749	16.4
137.09608	7.6
141.06979	3.9
143.08553	10.4
145.06421	5.2
145.10112	26.5
147.08032	9.8
147.11707	18.2
149.09624	20.4
149.10596	3.2
149.13252	8.6
151.11209	4.1
153.12729	5.6
157.10110	13.5
159.08081	4.2
159.11671	14.8
161.09659	5.1
161.13223	4.0
163.11174	18.5
165.09050	5.4
165.12668	4.0
169.10089	3.6
171.11670	7.9
173.09651	5.2
173.11739	2.9
173.13206	8.0
175.11191	6.6
181.12215	5.5
183.11652	4.4
187.11198	4.1
189.11197	13.8
191.10683	4.5
193.12294	9.8
195.11659	3.8
207.13754	3.7
211.13275	3.4
215.14259	3.9
223.13229	4.4
227.12794	16.2
227.17958	3.2
229.14334	12.0
229.19518	5.1
257.19049	6.1
267.15921	16.2
268.16202	6.3
269.17490	7.0
273.18515	33.2
275.20090	54.0
276.20432	6.0
283.15421	6.9
291.19537	50.7
293.21167	10.2
297.18704	3.2
309.20547	5.3
310.50287	3.1
335.96170	3.5
347.22153	11.2
349.23782	32.0
365.23273	35.4
367.24945	7.7
383.24274	8.7
403.25146	3.5
456.23575	4.8
459.27234	7.7
460.27762	13.8
478.28961	7.8
511.28717	3.6
519.33063	8.6
537.34692	4.1
541.35272	7.4
557.34595	3.5
558.35254	6.3
559.36047	9.4
581.59009	3.7
621.41370	8.8
622.32538	4.7
639.42615	29.4
657.43665	20.7
675.44482	6.6
819.47321	4.3
838.27594	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	836.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	65.3
69.07074	23.0
69.19895	42.5
69.74313	3.8
76.47398	4.8
77.03983	5.4
79.05498	58.8
81.07062	58.5
83.04982	5.9
83.08629	10.5
86.09705	16.0
91.05477	40.3
93.07043	60.0
95.04967	7.2
95.08627	40.6
97.06516	5.0
101.54034	5.0
105.07064	38.0
107.08611	31.0
109.10165	18.0
111.08125	4.4
117.07025	13.4
118.34304	3.7
119.08581	35.6
120.76619	5.1
121.10165	28.1
123.11697	7.8
125.00018	9.4
129.06963	4.5
131.08560	22.1
133.10138	34.4
135.11699	17.7
143.08577	10.5
145.10126	21.5
147.11673	32.6
149.13258	7.9
151.11185	6.2
157.10136	5.3
159.11681	26.7
161.13234	23.9
163.14853	5.3
171.11635	9.6
173.13300	12.5
175.14816	12.0
183.82498	4.7
184.07347	50.5
185.13271	11.1
187.14650	8.4
199.14755	5.5
207.63101	3.6
219.02315	4.7
226.25453	4.3
231.21123	6.8
241.19579	15.8
243.21011	5.9
253.14478	7.8
257.19037	11.6
259.20566	48.3
261.22137	12.8
273.18521	8.2
275.19980	5.3
315.23196	7.0
331.22729	4.7
333.24237	58.6
335.25803	100.0
349.23853	5.0
421.97900	5.4
516.22522	5.1
535.36584	5.1
593.45331	18.9
607.42902	6.1
611.46704	76.6
625.44183	8.3
771.17419	5.4
812.21606	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	837.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	0.5
65.03938	2.6
67.05505	24.5
69.03429	2.4
69.07066	9.3
70.60719	0.5
71.04435	0.8
71.05015	3.6
77.03930	1.0
79.05493	43.0
81.03410	5.2
81.07055	100.0
82.07396	0.7
83.04982	10.4
83.08148	1.1
83.08618	17.0
85.02900	4.4
85.06560	1.6
86.09737	0.6
91.05478	24.4
93.03365	0.7
93.07041	24.5
95.01328	1.1
95.04969	24.6
95.08607	14.9
95.22160	0.5
97.02920	0.6
97.06535	5.8
97.10161	8.4
98.85167	0.5
99.04446	3.0
99.08101	1.0
103.05457	0.8
105.03396	1.1
105.04504	1.3
105.07029	21.9
107.04958	11.1
107.08599	16.9
109.02880	1.0
109.06516	54.0
109.10163	7.8
111.04444	10.9
111.08095	5.1
113.06018	1.0
115.05449	1.3
117.07014	13.4
119.04921	1.1
119.08578	27.3
121.06502	8.8
121.10146	12.0
123.04428	0.8
123.08070	6.4
123.11694	1.6
125.05979	0.9
125.09621	6.3
127.03919	1.0
128.06204	1.2
129.05534	1.0
129.06992	6.3
130.07790	1.2
131.04944	0.7
131.08569	14.9
132.08885	0.6
133.06509	3.3
133.10132	10.3
135.08054	5.5
135.11682	7.0
137.09628	4.0
139.11205	0.8
141.06970	0.9
143.08560	5.4
145.06487	1.9
145.10123	18.8
146.07277	0.8
147.08037	12.1
147.11688	6.0
149.09615	11.3
149.13234	1.2
151.11162	1.7
153.09128	1.2
153.12762	2.5
155.08557	2.5
157.06535	0.8
157.10124	5.8
159.08046	2.5
159.11722	6.9
161.09634	8.8
161.13275	2.0
163.11174	15.5
163.14880	0.7
165.09131	2.0
165.12793	1.8
167.10745	0.5
169.10159	2.1
171.08067	0.8
171.10347	1.0
171.11658	4.0
173.09631	2.2
173.11862	0.7
173.13264	2.2
175.11212	2.4
175.14851	0.6
177.12738	1.5
181.12212	2.5
183.10187	1.3
183.11676	1.1
184.07379	1.0
185.13293	1.4
187.11176	1.9
189.11243	4.0
189.12752	1.3
191.10646	2.9
191.14352	1.0
193.12201	1.4
195.11722	1.2
197.13312	0.9
199.11174	1.1
199.14861	0.8
201.12799	0.6
205.12245	1.2
209.11647	0.9
211.14885	0.8
213.12808	1.2
223.13278	12.9
227.12704	3.5
227.17949	1.6
227.99979	0.5
229.14290	1.0
229.19600	1.2
239.17957	1.6
245.18988	1.3
247.20621	1.5
249.14809	3.9
253.12314	0.5
255.17445	2.8
257.18936	3.5
273.18488	24.8
275.20071	24.1
275.23120	0.8
283.15298	1.7
286.42780	0.5
291.19534	82.9
292.19949	1.3
293.21149	9.7
309.20477	1.6
329.21103	1.2
347.17844	0.7
347.22153	16.7
349.23752	18.0
350.23999	0.7
355.74829	0.5
365.23215	19.8
366.23578	0.8
367.24817	14.7
368.24960	0.7
375.48538	0.6
457.29950	1.0
475.30551	1.1
529.36066	0.6
557.35010	0.8
559.35748	0.8
621.41455	10.5
639.42578	24.5
640.42084	0.6
657.43695	19.1
837.44440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.2
67.05509	42.1
69.03403	2.2
69.07076	30.6
71.05006	1.9
79.05079	2.7
79.05497	42.7
81.03411	6.7
81.06597	3.8
81.07057	57.2
81.07529	3.4
82.40275	1.6
83.04972	7.2
83.08620	7.7
85.06538	4.3
86.09699	8.6
91.05487	74.5
93.07048	48.7
93.69624	1.5
95.01313	6.5
95.04985	8.6
95.08604	37.0
97.02917	1.7
97.06541	18.8
97.10140	4.2
103.05477	2.8
103.22973	1.6
105.07037	81.2
107.04949	15.2
107.08598	26.4
109.06518	6.1
109.10155	15.7
111.08080	3.3
117.07021	21.9
119.08586	56.2
121.06512	3.6
121.10167	15.7
123.08042	5.6
123.11728	3.2
125.00002	5.4
125.09597	1.8
129.07011	7.0
131.08571	28.5
133.10133	50.1
135.08051	5.2
135.11696	13.4
137.09598	3.0
143.08563	8.5
145.06526	2.4
145.10138	20.3
147.11696	25.6
149.09612	5.3
149.13246	6.4
151.11191	2.0
157.10120	7.9
159.11702	14.6
161.09634	2.5
161.13258	13.8
163.11121	4.5
169.10211	2.5
171.11707	10.7
173.13234	6.6
175.14812	7.6
177.12825	3.6
179.14359	10.2
183.11728	2.7
184.07355	25.2
185.13251	4.6
187.11142	2.2
187.14716	2.6
189.12700	2.1
197.13258	3.3
199.14751	2.0
211.14757	1.8
217.19452	2.7
219.17404	5.2
231.21126	2.5
241.19533	14.2
247.20663	2.4
249.01190	1.6
253.14343	1.9
257.19080	7.9
259.20596	24.0
273.18695	2.4
275.20090	54.9
288.91614	1.9
291.19492	4.6
315.23203	8.6
333.24243	56.0
335.25674	7.6
348.34473	1.6
349.23746	50.2
351.25256	1.9
365.23083	3.9
379.20578	1.8
422.49576	1.9
513.35602	1.8
607.43573	100.0
608.43909	3.8
625.44727	18.3
629.16846	1.9
633.93024	1.9
639.42395	2.5
777.45526	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	836.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.4
67.05507	52.5
68.98675	2.1
69.07070	32.4
71.04974	3.7
71.07360	2.8
71.51757	2.2
71.52214	2.8
79.05494	53.3
81.03436	7.5
81.07061	70.9
83.04990	8.2
83.08614	9.9
85.06538	4.2
86.09713	11.7
91.05486	74.0
93.07054	60.3
95.01315	5.9
95.04964	13.9
95.08608	37.9
97.06544	23.7
97.10180	6.2
105.04536	2.4
105.07034	86.3
107.04962	18.9
107.08599	31.6
109.06524	8.5
109.10172	14.8
110.46113	2.0
111.08105	3.8
111.43603	2.3
113.09657	2.3
117.07028	21.9
119.08587	51.9
121.06560	2.8
121.10149	16.2
123.08070	3.7
123.11732	4.2
125.00006	5.5
125.09672	2.9
128.06207	3.6
129.07018	9.9
131.08572	28.4
133.10138	47.5
135.08060	5.4
135.11684	12.5
137.09598	3.5
143.08574	10.6
145.10124	21.7
147.08070	2.9
147.11722	27.5
149.09605	11.9
149.13297	7.5
151.11220	2.5
155.08522	2.6
157.10158	7.8
159.11681	16.5
161.13255	16.7
163.11241	4.9
165.12837	2.8
169.10118	3.5
171.11699	9.4
173.13272	9.6
175.14868	7.5
177.12791	3.8
179.14287	5.4
183.11630	3.4
184.07347	33.3
184.08812	3.4
185.13243	7.1
187.11212	3.8
187.14792	2.6
195.13814	2.7
197.13290	3.0
219.17509	7.1
239.17926	4.3
241.19507	13.0
253.14445	3.4
257.19019	9.2
259.20605	26.4
275.20096	56.0
291.19635	4.7
315.23206	9.2
333.24228	57.1
335.25824	7.8
349.23730	46.2
351.25473	2.6
530.13171	2.8
607.43585	100.0
608.43878	2.9
625.44666	22.7
684.80530	2.3
729.81818	2.1
738.69019	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	836.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.6
67.05506	51.0
69.03423	4.3
69.07071	28.6
69.69163	4.2
69.69575	2.3
73.06568	1.5
77.03902	1.7
79.05495	43.6
81.03415	10.6
81.07057	68.5
83.04983	10.0
83.08616	12.1
83.25897	1.1
85.02914	2.5
85.06523	3.4
86.09692	2.3
89.06045	1.8
91.05482	64.1
93.07048	48.2
95.01329	6.3
95.04969	15.1
95.08610	30.7
97.02891	1.6
97.06532	29.0
97.10161	5.5
99.04474	1.4
103.05452	2.2
104.06236	1.4
105.04518	1.4
105.07034	76.0
107.04963	18.4
107.08597	31.2
109.06504	10.3
109.10162	28.2
111.04453	2.8
111.08081	5.5
115.05429	2.1
117.07024	15.2
119.08585	37.9
121.06559	8.3
121.10137	12.9
123.04416	2.2
123.08071	6.6
123.11711	7.5
124.99981	2.0
125.09599	5.2
127.07535	1.5
128.06245	2.3
129.07030	6.4
130.07809	1.6
131.08568	21.8
133.06479	4.7
133.08606	2.4
133.10133	59.2
135.08067	10.3
135.11673	8.1
137.09599	3.0
138.55037	1.2
139.07527	1.7
141.06981	3.5
143.08522	7.9
145.06487	3.9
145.10109	21.2
147.08038	4.5
147.11699	15.6
149.09619	12.6
149.13231	5.0
151.11195	13.5
155.08551	3.5
157.10121	6.1
159.08075	2.3
159.11707	11.5
161.09651	6.6
161.13232	6.4
163.11189	5.5
165.09052	2.0
165.12701	1.7
169.10132	5.3
169.12279	1.5
171.11650	5.9
173.13216	4.9
175.11177	4.8
175.84407	1.4
177.12743	5.2
179.14305	8.4
181.10110	1.6
183.11667	3.9
184.07332	7.2
184.24750	1.3
185.13208	2.9
187.11148	3.4
189.12804	1.8
191.14343	1.5
195.11760	1.8
197.13271	2.5
205.12151	1.8
209.26389	1.4
211.14862	2.1
219.17360	2.2
223.13258	3.6
229.26485	1.4
231.13913	1.5
239.17937	2.0
245.19025	3.4
247.20473	2.2
251.12831	2.9
253.14371	49.2
255.17441	2.0
257.19083	7.2
259.20493	2.4
263.19965	1.6
270.96576	1.3
273.15811	0.9
273.18515	21.1
275.20071	70.6
291.19516	21.2
293.21124	4.1
309.20615	1.5
329.20795	1.8
333.24286	3.8
335.25693	2.0
347.22177	15.5
349.23746	37.4
360.63885	1.3
365.23215	30.8
367.24777	2.3
404.13791	1.2
409.73413	1.2
503.41278	1.3
527.34308	2.7
543.32770	2.6
545.34631	12.6
591.68011	1.3
607.44031	5.9
610.45435	2.3
621.41248	16.5
625.44110	1.5
639.42560	100.0
640.42529	4.8
657.43378	3.5
834.29883	1.4
836.45758	2.1
854.56201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47698	1.1
65.03933	4.2
67.05508	48.6
69.03416	4.3
69.07071	28.4
71.53000	1.9
77.03956	1.5
78.61207	1.3
79.05494	45.2
81.03428	10.0
81.07059	65.9
83.04981	9.9
83.08636	8.3
85.02903	1.6
85.06534	4.1
86.09697	4.2
91.05486	63.6
92.39661	1.1
93.07049	47.8
95.01345	7.9
95.04977	12.2
95.08611	34.8
97.02877	1.9
97.06529	29.1
97.10161	4.5
103.05447	1.5
105.04547	2.2
105.07036	73.0
107.04962	20.1
107.08600	26.4
109.06522	7.3
109.10163	26.5
111.04416	1.5
111.08066	2.7
113.06022	1.7
115.05451	2.1
117.07038	14.3
119.08589	35.5
121.06518	8.0
121.10134	10.4
123.04424	1.9
123.08098	5.8
123.11705	5.7
124.99969	2.8
125.09625	3.3
127.07526	1.6
129.07010	5.8
131.08571	23.8
133.06522	6.6
133.10138	60.2
135.08070	7.4
135.11714	6.9
137.09604	3.9
139.07489	2.0
139.11124	1.2
141.07005	2.9
143.08554	6.5
145.06482	3.2
145.10129	17.9
147.08026	3.7
147.11682	16.2
149.09624	14.0
149.13268	3.1
151.11157	12.1
155.08539	3.0
157.10133	6.2
159.08051	2.0
159.11700	13.5
161.09634	7.2
161.13246	6.4
163.07654	1.3
163.11212	6.8
165.09158	2.3
169.10100	2.1
169.12183	2.5
171.11688	5.2
173.13263	3.9
175.11221	2.4
177.09138	2.4
177.12764	2.4
179.14314	10.8
183.11708	2.9
184.07358	13.8
185.13287	2.1
187.11147	3.2
189.12735	3.5
191.14308	2.3
193.12241	1.8
197.13260	2.3
201.05063	1.2
205.12173	1.6
219.17468	2.4
229.19748	1.5
239.17964	1.9
245.19044	2.6
247.20503	2.8
251.12816	4.9
253.14365	43.8
255.17393	1.4
257.19019	5.6
263.20111	2.4
273.18509	22.7
275.20065	77.0
291.19537	22.5
293.21042	4.3
309.20618	2.5
329.21109	1.9
347.22131	17.4
349.23752	39.2
365.23245	31.9
527.33698	1.7
541.34796	1.5
543.32672	1.1
545.34454	8.9
621.31799	1.6
621.41510	21.6
622.41608	1.4
639.42535	100.0
640.42688	2.8
657.43207	2.6
836.48346	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	835.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.3
60.98524	1.0
61.02916	4.1
65.03945	5.4
67.05507	63.2
69.03432	16.6
69.07069	30.3
70.06585	1.8
71.01340	1.7
71.05006	7.7
73.02905	2.5
73.06557	1.2
73.09007	0.9
77.03922	1.0
79.05494	63.3
81.02941	1.0
81.03420	32.3
81.07057	100.0
83.04985	19.2
83.08154	1.5
83.08619	26.2
84.08118	0.8
85.02904	11.7
85.06540	2.4
91.03948	1.3
91.05483	50.1
93.03413	1.0
93.07045	49.6
95.04975	28.0
95.08610	31.8
97.02896	12.9
97.06540	15.8
97.10171	30.2
97.34100	0.9
99.04454	7.4
99.08088	2.9
101.02406	1.6
101.05981	1.0
103.05462	3.4
105.03376	1.2
105.04492	2.6
105.07033	41.6
107.04305	1.8
107.04964	24.5
107.07871	2.0
107.08593	32.5
109.02885	7.2
109.06522	21.4
109.09468	1.7
109.10159	20.1
111.04446	18.7
111.08108	10.1
112.66771	0.9
113.05995	1.3
115.05430	4.7
117.07018	25.4
117.07843	1.4
119.04916	2.9
119.08584	39.5
121.06513	13.8
121.10154	19.5
123.04443	4.3
123.08065	29.3
123.11692	3.2
125.05971	2.5
125.09633	28.3
127.03925	5.6
128.06224	6.2
129.07002	15.9
130.07790	1.7
131.04922	4.0
131.08566	27.9
133.06509	9.6
133.10132	18.0
135.04445	1.3
135.08060	16.9
135.11697	14.5
137.05966	2.4
137.09616	11.9
139.07555	1.7
139.11191	2.3
141.07002	5.1
141.09148	1.5
142.07759	3.8
143.08563	13.0
144.09337	1.0
145.06508	9.9
145.10127	24.9
146.07339	1.3
147.04413	1.6
147.08066	18.4
147.11699	11.7
149.06001	2.8
149.09622	14.3
149.13245	3.2
151.07556	1.7
151.11151	2.9
153.06970	1.1
153.09117	6.7
153.12749	7.3
154.07687	0.9
155.08563	7.6
156.09358	1.5
157.06488	3.8
157.10143	13.3
159.08072	10.6
159.11691	9.8
161.05983	3.1
161.09616	20.0
161.13263	2.8
163.07526	3.1
163.11180	27.7
165.06934	1.7
165.09105	6.8
165.12759	2.8
166.07770	0.9
167.08575	3.4
169.06438	1.9
169.10106	6.1
171.08073	4.3
171.10258	2.3
171.11679	8.7
173.09660	7.2
173.13190	2.4
175.07623	1.9
175.11182	11.5
175.14711	1.0
177.09146	2.7
177.12750	3.7
179.08478	1.7
179.10693	2.2
181.06534	1.1
181.08664	1.3
181.10139	3.9
181.12222	10.1
183.08080	1.1
183.11685	3.5
185.09625	4.9
185.13245	6.2
187.07556	2.1
187.11244	4.7
187.14842	2.4
189.09312	2.0
189.11218	21.3
189.12773	3.4
191.10684	8.8
193.12224	7.9
195.11716	3.5
197.05904	1.0
197.09616	1.6
197.13214	3.2
199.07509	1.4
199.11128	5.1
199.14809	3.1
201.12711	2.6
203.10641	2.6
203.14275	1.7
205.10188	1.0
205.12224	3.1
207.11754	1.6
207.13719	1.6
209.09644	1.2
209.11703	2.8
211.11165	3.3
211.13145	1.9
211.14969	1.7
213.09250	1.0
213.12752	3.4
213.16353	3.0
215.10648	1.1
215.14365	2.0
217.12231	1.4
217.15837	1.8
217.19543	0.9
219.13805	2.1
221.11726	1.6
221.15373	1.2
223.11377	1.0
223.13142	4.7
225.08995	0.9
225.12706	2.0
227.10570	1.9
227.12743	25.0
227.17966	2.6
229.12254	2.2
229.14262	1.6
231.09984	1.2
231.13811	2.2
237.12769	1.4
237.16458	1.4
241.12146	1.2
243.13806	1.1
243.17410	1.5
245.13741	2.1
245.18971	9.6
247.13422	2.0
249.14876	2.9
253.15837	0.9
255.17500	7.5
257.15524	1.2
261.18652	1.3
263.20007	2.1
267.12234	2.2
267.15955	2.5
269.11670	2.0
271.16843	3.2
273.18506	61.7
275.17194	0.8
275.20078	5.2
283.15344	4.4
285.18652	1.1
287.16708	1.1
287.19980	1.3
289.18039	4.1
291.19550	80.2
292.20020	1.4
297.18179	1.4
299.20078	1.5
301.21402	1.1
303.19556	1.2
307.18918	1.0
309.20670	7.6
311.19968	3.0
315.19550	2.3
323.20102	1.1
325.17929	1.2
329.21283	4.8
339.19543	2.8
341.21204	2.2
345.21024	1.3
347.22198	25.7
349.23929	1.5
353.15762	1.0
353.21051	1.4
357.20584	4.1
359.22067	1.0
363.19394	1.7
365.23230	39.7
369.20386	1.2
377.24615	1.1
381.20770	3.8
383.24387	15.3
389.23041	1.4
393.27997	1.2
399.21542	4.3
407.24603	1.0
411.28690	1.7
417.22705	3.4
421.27457	1.0
431.24216	3.0
435.23831	3.1
447.28632	1.2
455.23816	2.1
473.24625	1.6
475.29660	1.2
483.30991	1.5
491.26392	2.1
509.27271	3.3
511.33438	1.1
513.31830	2.4
517.31415	2.1
523.32526	1.0
527.33875	3.5
529.34998	2.0
531.33057	3.1
535.31934	1.8
539.33606	3.8
545.35730	3.4
551.32666	1.0
557.34650	9.2
563.36981	2.8
575.35522	3.7
581.37958	2.2
583.35950	1.7
609.41827	1.3
619.39996	4.7
637.41040	28.3
638.40991	1.3
655.42145	32.7
656.42334	1.2
661.39380	1.0
673.42889	10.5
679.41394	1.3
721.42896	2.5
751.44006	1.4
763.43561	2.6
769.44958	4.5
781.45142	3.2
799.46014	4.3
817.47369	5.1
835.47217	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	835.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	2.6
60.04526	2.2
65.03926	6.2
66.47087	2.2
67.05506	66.9
69.03439	17.5
69.07071	31.9
69.69796	2.0
70.06589	5.6
71.01332	3.6
71.04989	10.1
71.52709	3.4
79.05497	72.4
81.03419	39.7
81.07060	100.0
83.04978	24.4
83.08629	24.1
85.02916	13.1
85.06546	4.2
86.09692	2.5
87.72077	2.4
91.04922	2.2
91.05484	48.0
93.07050	53.4
95.04978	31.6
95.08605	39.3
97.02892	15.3
97.06536	17.8
97.10164	25.9
99.04470	6.5
99.08090	5.3
105.07037	42.7
107.04958	23.9
107.08603	30.8
109.02872	9.6
109.06530	26.8
109.10169	28.4
111.04461	21.6
111.08097	11.1
115.05432	3.6
117.07015	22.0
119.04963	4.6
119.08592	40.1
121.06538	15.7
121.10154	21.7
123.04434	5.9
123.08060	29.1
123.11710	2.3
125.05978	2.8
125.09638	29.9
127.03898	9.0
128.06264	5.0
129.07016	16.9
129.10251	3.0
130.07823	2.9
131.04895	2.2
131.08575	23.1
133.06531	11.9
133.10132	19.7
135.08015	13.1
135.11699	15.7
137.05916	2.5
137.09618	10.1
139.07532	3.2
139.11113	2.6
141.07002	6.1
143.08524	12.6
145.06467	9.7
145.10149	28.7
147.08070	18.6
147.11665	11.9
149.06145	2.4
149.09627	11.1
149.13310	4.3
151.11179	2.8
153.09081	5.4
153.12781	6.7
155.08574	7.6
157.10153	15.5
159.08037	9.8
159.11720	11.5
161.09628	22.1
163.03931	2.2
163.07539	2.8
163.11188	29.2
165.09132	6.8
167.08524	4.7
169.10152	5.6
171.08170	3.1
171.11707	9.0
173.05893	2.6
173.09651	7.4
173.13293	4.3
175.11226	11.3
175.14967	2.3
177.12721	6.7
181.10086	3.2
181.12276	7.8
183.11728	3.8
185.09641	4.8
185.13268	4.8
187.11235	6.7
187.14774	4.2
189.11240	22.4
189.12758	4.8
191.10689	9.5
193.12254	6.5
195.11684	3.1
199.11287	4.2
201.12727	2.9
203.10799	2.8
203.14258	3.1
209.11653	2.9
211.11166	3.0
213.16321	2.8
216.62607	2.5
217.67003	2.1
218.51480	2.5
221.11824	2.6
223.13289	6.6
227.12762	27.1
227.18024	4.2
229.12318	2.6
229.14273	3.1
245.18990	9.6
249.14880	3.3
255.17509	7.3
263.20090	3.5
273.18491	71.6
275.19977	5.0
283.15518	5.5
289.17996	6.1
291.19543	98.0
309.20682	10.6
315.19513	3.0
327.19153	2.6
329.21207	4.4
339.19501	3.6
347.22177	32.9
357.20526	5.7
365.23267	45.1
383.24307	17.7
399.21643	4.8
405.95956	2.6
417.22455	3.6
435.23697	5.1
455.35587	2.6
477.28836	2.4
503.33664	2.7
509.27588	4.2
527.28473	3.6
528.28882	4.9
531.32666	3.6
535.32214	3.5
539.33221	3.1
557.35358	4.7
563.37012	3.1
573.34241	2.8
575.34180	2.6
619.39178	4.3
637.41083	22.2
655.42157	37.2
673.42981	15.1
721.42871	3.7
739.43103	2.7
763.44159	3.7
769.44989	6.8
799.46210	5.5
817.46704	7.9
835.47839	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	834.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	3.7
61.02914	2.7
65.03941	3.3
66.56807	1.5
67.05510	67.3
69.03150	1.5
69.03440	19.8
69.06716	3.0
69.07071	26.6
70.06602	2.6
71.04991	11.6
71.53397	1.9
73.02911	2.0
79.05499	80.4
81.03423	49.4
81.07060	100.0
83.01334	3.4
83.04982	32.2
83.08620	28.6
84.05335	1.6
84.08146	2.2
85.02917	14.3
85.06536	6.0
86.09731	1.7
87.04448	1.9
91.05484	55.0
93.07050	79.9
93.07643	4.0
95.04976	26.7
95.08618	33.4
97.02908	12.1
97.06539	18.9
97.10175	33.8
98.67788	1.7
99.04447	8.2
99.08092	3.1
103.05427	2.0
105.04535	2.5
105.07040	40.0
105.77946	1.7
107.04970	27.3
107.08597	44.6
109.02875	8.3
109.06524	24.8
109.10165	20.4
109.58137	1.7
111.04449	29.4
111.08080	11.9
117.07023	25.7
119.04920	3.2
119.08588	37.4
121.06523	19.9
121.10152	27.3
123.04446	2.8
123.08072	25.4
123.11690	2.3
125.05986	3.5
125.09640	29.3
127.03945	12.4
128.06216	3.1
129.07027	11.3
129.10234	2.0
131.04933	4.7
131.08585	20.9
133.06508	6.3
133.10155	15.8
135.08099	13.7
135.11711	26.2
135.79135	1.7
137.06000	2.5
137.09641	10.1
139.11162	3.4
141.07002	2.3
143.08588	13.1
145.06480	4.5
145.10123	33.9
147.04385	2.7
147.08063	18.0
147.11691	17.3
149.09627	7.6
149.13235	8.8
151.11188	2.1
153.07033	1.9
153.09122	4.0
153.12735	18.4
155.08582	6.5
157.10178	9.2
159.08032	4.6
159.11743	11.0
161.09636	19.9
161.13235	3.6
163.07697	1.9
163.11189	42.7
165.09132	5.7
165.12819	2.2
167.08569	2.5
169.10110	3.3
171.10251	4.1
171.11716	10.9
171.59169	1.7
173.04446	1.8
173.09625	8.9
173.13214	1.8
175.11122	5.3
177.12738	5.2
181.12247	18.8
184.07315	2.6
185.09637	2.2
185.13251	2.0
187.11179	2.4
189.09709	2.3
189.11212	14.7
189.12808	4.2
191.10722	13.0
193.12251	6.7
195.11612	2.2
195.13927	3.0
199.11203	2.2
203.10533	1.8
205.12148	2.2
207.11807	2.6
207.13828	4.8
209.11739	6.2
211.13322	3.2
213.12794	3.9
219.13780	2.1
221.11714	2.5
223.13274	5.3
227.12782	45.3
227.17963	2.8
229.14319	2.8
233.15340	1.8
245.19002	4.6
245.23732	2.1
249.14833	4.1
254.31090	1.6
255.17516	3.9
265.14343	4.7
269.17401	11.1
273.18512	32.0
275.20099	2.8
277.47733	1.6
281.17496	18.0
283.15396	42.8
289.17902	3.8
291.19540	66.9
292.20047	1.7
293.20929	2.0
309.17099	1.9
309.20609	8.4
311.19940	4.6
313.17737	2.2
329.21152	4.1
347.22174	13.3
353.15814	5.8
365.23242	44.9
369.00854	2.0
383.24359	13.6
409.18396	2.0
417.22366	1.9
427.19632	41.7
435.23737	1.9
453.24878	2.4
475.30585	76.2
481.29630	3.0
499.31360	2.6
527.33649	2.1
529.31561	2.6
537.31940	4.7
545.34039	2.1
555.33209	30.5
573.34259	74.3
574.34613	2.1
591.35229	24.0
681.36310	3.4
684.31598	2.1
699.37000	6.5
717.38458	37.7
735.39722	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	830.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06361	0.2
58.06628	0.5
59.07396	0.2
60.08170	6.6
62.08812	0.1
63.27335	0.2
64.89809	0.1
66.86355	0.1
67.05491	0.3
69.07079	0.3
70.19353	0.4
70.19746	0.3
70.90598	0.1
71.07380	3.8
79.05499	0.3
81.07060	0.4
86.09711	32.3
87.10062	0.2
90.77424	0.1
91.05459	0.3
93.07047	0.3
95.08604	0.2
96.89067	0.1
98.98477	3.4
104.10754	2.7
105.07055	0.2
107.08622	0.3
121.10175	0.2
123.25613	0.1
125.00014	21.6
133.10121	0.2
143.01048	0.3
166.02672	0.3
184.07353	100.0
185.07666	0.6
226.14005	0.2
244.55580	0.1
352.51099	0.2
614.22620	0.2
642.02429	0.2
674.43439	0.3
714.46967	2.2
776.51605	0.3
794.53479	1.6
812.54340	2.4
830.55591	3.5
831.55365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	3.4
60.36711	1.5
61.02927	6.5
62.67626	1.2
65.03935	5.8
67.05511	69.3
69.03435	22.5
69.07073	38.1
69.67038	8.4
71.01348	2.7
71.05006	7.3
71.08613	1.7
73.02917	3.8
77.03917	2.0
79.05501	76.5
81.03425	57.7
81.07063	100.0
83.01338	2.0
83.04980	19.9
83.08620	27.0
85.02909	14.3
85.06528	4.1
87.04468	1.7
91.03974	2.7
91.05489	64.0
93.07056	55.7
95.04976	34.3
95.08618	33.0
97.02898	23.5
97.06541	17.8
97.10178	38.5
98.21528	1.3
99.00800	2.7
99.04464	7.9
99.08066	4.4
99.20695	1.4
101.02403	2.4
103.05476	4.5
105.03378	2.1
105.04507	1.6
105.07038	47.7
107.04965	24.1
107.08604	40.2
109.02889	19.2
109.06532	23.6
109.10164	19.9
111.04449	15.7
111.08088	10.3
113.05988	1.7
115.03913	1.9
115.05450	6.6
115.73827	1.4
116.06263	2.4
117.07024	34.0
119.04960	4.3
119.08593	42.7
121.02847	1.3
121.06529	19.4
121.10159	14.9
123.04416	9.2
123.08081	24.9
123.11700	2.5
125.05947	2.2
125.09632	26.7
127.03928	11.7
128.06238	8.1
129.07031	18.4
130.07776	2.1
131.04938	5.0
131.05849	1.2
131.08578	25.4
132.05734	1.6
133.06509	14.3
133.10153	24.0
135.04404	3.7
135.08057	31.3
135.11710	11.3
137.05984	3.2
137.09639	13.2
139.07523	3.0
139.11107	1.9
141.06976	4.9
141.09155	1.2
142.07759	3.9
143.08574	18.5
144.05759	2.1
145.06477	14.0
145.10138	25.5
147.04378	2.1
147.08057	19.3
147.11710	10.3
149.05917	3.8
149.09653	14.4
149.13271	1.9
151.07556	3.7
151.11147	5.1
153.07025	2.2
153.09146	7.5
153.12761	9.5
153.96977	1.5
155.08595	6.2
156.09297	1.4
157.06514	3.1
157.10165	13.5
158.07204	2.0
159.08060	16.9
159.11690	10.2
161.06033	3.0
161.09644	27.6
161.13327	2.3
163.07568	11.1
163.11197	21.9
165.09123	4.9
165.12869	1.7
167.08534	2.4
168.09352	1.5
169.10147	5.8
171.08073	4.2
171.10133	4.0
171.11690	6.4
173.04448	3.2
173.05882	1.7
173.09604	9.8
173.11903	1.4
173.13269	3.8
175.07547	3.0
175.11217	10.1
175.14771	1.2
177.09111	2.0
177.12787	3.9
179.10681	4.4
181.10098	3.1
181.12260	7.8
183.06491	1.3
183.11658	4.3
185.09630	5.6
185.13254	3.3
187.11186	6.9
187.14761	1.5
189.09128	5.6
189.11218	19.8
189.12759	4.2
191.10612	10.0
191.14226	1.6
193.10387	2.9
193.12256	27.9
197.09616	2.4
197.13306	2.6
199.11163	4.1
199.14885	1.8
201.12888	3.0
205.12157	3.2
207.10118	1.9
208.80263	1.4
209.09686	2.0
209.11650	3.2
211.11194	3.4
211.13107	1.8
215.14337	1.6
217.12254	2.3
219.13795	1.8
221.11621	1.9
223.13234	3.3
225.10936	1.5
225.16396	1.8
227.10602	1.9
227.12769	28.3
227.17833	1.6
229.12245	4.3
231.10219	2.4
231.13786	2.1
243.17476	5.3
245.11789	1.9
245.19087	8.0
247.13249	2.1
249.14883	2.2
253.15826	1.4
255.17422	4.3
261.18509	9.6
263.20010	2.7
265.14459	1.5
267.12274	3.9
267.15909	1.7
269.11646	1.9
271.17026	8.3
273.18509	74.4
275.20026	3.1
277.31503	1.4
283.15472	9.0
287.16495	1.9
289.18015	35.7
291.19580	49.7
291.22922	2.5
307.19168	10.3
309.20798	2.1
315.19537	2.1
325.17889	1.6
327.19623	3.4
328.85172	1.3
329.21207	4.9
339.19589	2.6
345.20688	2.2
347.22211	28.9
353.20911	1.7
357.20529	3.7
363.21811	11.6
365.23288	17.7
371.22235	2.8
381.22842	50.9
382.23199	2.4
389.23526	1.9
391.26483	2.2
399.21634	3.0
409.27597	2.6
417.22855	3.8
431.24033	1.4
435.23648	5.0
454.21957	1.5
473.25668	3.1
491.26373	1.5
509.27332	6.5
525.34082	1.5
529.31665	1.8
545.34772	1.6
551.31940	2.4
555.32947	5.7
561.35413	2.4
573.34357	7.7
579.37201	1.8
589.33575	1.5
591.34912	1.6
617.38086	2.5
635.39423	12.9
653.40643	32.6
656.06049	1.8
671.41571	37.3
695.41821	1.8
717.37463	2.2
719.40955	1.6
737.41736	3.6
761.42432	2.0
767.43689	6.9
779.41980	1.5
797.44019	3.7
815.45673	10.6
833.46942	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.6
58.68057	0.4
60.08163	3.9
61.02928	4.0
67.05515	4.7
69.03427	3.5
69.07038	1.3
69.15523	1.3
69.15942	2.3
71.04965	0.4
71.07375	2.0
73.02927	2.9
79.05077	0.4
79.05499	4.9
81.03412	1.8
81.07056	3.9
83.04965	0.7
83.08604	0.8
85.02908	4.3
86.09709	18.8
87.10033	2.6
91.03956	2.7
91.05481	4.2
93.07048	6.5
95.04967	0.7
95.08616	3.0
97.02897	3.7
97.10155	0.6
98.21515	0.8
98.98461	2.3
99.04433	0.8
101.02406	2.0
104.10742	1.5
105.07030	3.4
106.71941	0.4
107.04927	0.3
107.08605	2.8
109.02880	0.5
109.10159	0.7
115.03909	0.4
117.06988	1.6
119.08583	3.2
121.10157	2.3
124.99106	0.7
125.00008	14.1
126.00372	0.4
127.03920	1.3
131.08553	1.0
131.58722	0.4
133.10159	2.6
135.11659	1.5
145.10132	0.7
147.11665	1.5
149.13254	0.8
159.11708	0.6
161.13228	0.8
171.11703	1.0
173.13225	0.8
175.14810	0.7
184.07347	57.3
185.04179	1.2
185.07712	7.0
185.13225	0.4
198.76224	0.3
201.03821	0.7
203.05254	0.5
243.08440	3.5
259.20584	0.7
301.08990	2.5
313.09006	0.5
315.10522	0.7
317.20905	1.6
355.13800	0.5
373.11389	0.4
373.23651	0.4
385.18478	0.5
397.18268	1.0
437.21811	0.5
449.21371	0.3
465.21057	1.9
495.22189	0.3
505.53159	0.4
517.27930	0.5
525.23077	2.2
535.20728	0.8
535.28821	13.5
537.22748	0.4
607.31036	1.4
635.34009	0.6
649.35162	0.5
663.36713	0.5
691.41296	0.5
811.52875	0.7
829.50787	100.0
830.51123	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	828.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06631	0.4
60.08167	6.1
62.60892	0.1
67.05499	0.3
69.07088	0.2
70.06580	0.2
71.07377	3.9
71.51744	0.2
79.05499	0.4
81.07059	0.2
86.09709	31.4
91.05473	0.2
93.07026	0.2
94.41999	0.1
95.08600	0.2
98.98464	3.1
104.10743	3.0
105.07011	0.2
107.08593	0.2
117.21251	0.1
119.08551	0.2
125.00009	21.5
131.08533	0.1
133.10193	0.2
143.01079	0.2
147.11717	0.1
183.48427	0.1
184.07344	100.0
185.07669	0.6
393.74231	0.1
463.32632	0.1
465.42114	0.1
672.41858	0.7
710.43451	0.6
712.45605	0.7
774.50281	0.2
792.39417	0.1
792.51660	1.2
810.52869	3.1
828.54053	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	828.538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06624	0.6
59.07388	0.1
60.08166	6.7
67.05499	0.3
69.69387	0.5
70.06596	0.2
71.07374	3.8
74.72818	0.1
79.05504	0.3
81.07039	0.2
86.09707	32.8
87.10020	0.1
91.05463	0.2
93.07040	0.2
95.08579	0.2
96.86166	0.1
98.98464	3.9
104.10745	2.8
105.07059	0.2
107.08564	0.1
109.02889	0.1
109.10168	0.1
122.94365	0.1
125.00006	22.3
127.33392	0.1
142.56355	0.1
143.01042	0.2
166.02660	0.1
173.13228	0.1
184.07341	100.0
185.07658	0.6
247.16597	0.1
566.31110	0.1
810.52344	0.6
828.53821	6.0
829.52954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06353	0.1
58.06610	0.4
60.08168	6.3
67.05493	0.4
69.07047	0.1
69.90115	0.4
70.06570	0.2
71.07378	3.8
71.97063	0.1
79.05489	0.3
81.07050	0.4
83.08640	0.1
86.09708	30.8
87.10030	0.2
91.05473	0.3
93.07018	0.3
95.08601	0.2
97.02895	0.1
98.21481	0.2
98.98470	3.4
98.99133	0.2
104.10751	2.7
105.07022	0.2
107.08567	0.2
116.10950	0.1
119.08596	0.2
120.33358	0.1
125.00008	20.2
139.25751	0.1
140.10498	0.1
143.00984	0.1
145.10078	0.1
149.70155	0.1
184.07344	100.0
185.07722	0.4
218.29840	0.1
363.00897	0.1
535.28979	0.2
548.30499	0.1
678.62799	0.1
810.52570	1.1
828.53760	7.0
829.50922	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.1
65.03945	0.3
65.58169	0.3
67.05509	3.8
69.03442	1.9
69.07070	2.2
70.70153	0.8
71.01353	0.4
73.02915	2.6
79.05495	4.0
81.03430	1.4
81.07056	4.3
83.04995	0.5
83.08631	0.9
85.02908	3.6
86.09692	2.2
87.10033	0.3
91.03961	1.6
91.05480	3.8
93.07042	4.0
95.01332	0.3
95.04966	0.7
95.08612	3.0
97.02903	3.2
97.06554	0.8
98.98520	0.3
99.04456	0.6
101.02399	1.4
105.07039	3.8
107.04961	0.9
107.08604	2.3
109.02853	0.3
109.06541	0.3
109.10175	1.1
117.07017	1.5
119.08588	3.0
121.10175	1.3
123.08062	0.3
125.00039	1.2
127.03930	0.9
129.05498	0.4
129.07039	0.9
131.08543	1.6
133.10127	2.6
135.11714	1.2
145.10194	0.9
147.11659	1.5
149.09682	0.6
149.13249	0.6
158.72110	0.3
159.11754	0.8
161.13318	0.5
171.11758	0.3
173.13306	0.5
179.14310	0.6
184.07349	6.3
185.04295	1.0
185.07777	0.4
201.03844	0.3
203.05287	0.6
243.08438	2.8
275.20221	0.5
301.09052	0.9
313.09106	0.4
315.10617	0.9
315.19363	4.1
317.20975	0.4
356.32446	0.3
357.15344	0.4
371.22217	1.2
373.11212	0.4
373.23596	0.4
383.16946	0.4
396.99051	0.3
397.18478	0.4
465.21127	1.1
495.22089	0.8
533.27197	9.2
535.28882	6.0
605.29279	1.3
619.31097	0.5
647.34631	0.4
689.37939	0.7
827.49176	100.0
828.49353	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	827.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14714	0.4
60.08165	0.7
60.66908	0.4
61.02935	3.8
65.03941	0.8
67.05514	14.9
68.05856	0.8
69.03436	4.0
69.07087	3.4
69.39549	0.4
70.07425	0.5
71.05008	1.1
71.07378	0.4
71.08627	0.6
72.58492	0.4
73.02927	4.3
77.78445	0.4
79.05502	8.2
81.03425	2.1
81.07065	13.3
81.07533	0.8
82.07407	1.5
83.05003	1.8
83.08631	2.5
85.02917	5.4
85.06530	0.8
86.09725	3.9
87.10052	0.6
91.03964	2.4
91.05495	7.6
93.07056	9.4
94.07388	0.8
95.04971	3.9
95.08624	9.1
96.08969	1.1
96.31270	0.4
97.02901	4.5
97.06570	1.2
97.10201	1.3
98.98441	0.4
99.04482	1.0
101.02421	1.5
105.07045	5.6
106.07381	0.6
107.04981	0.7
107.08613	6.9
108.08975	0.9
109.02923	1.1
109.06541	0.7
109.10159	5.0
109.10836	0.5
111.04472	0.5
111.08083	0.7
115.03935	0.5
116.21157	0.4
117.07038	1.4
119.08598	3.2
120.08974	0.8
121.10168	3.1
122.10491	0.8
123.08111	0.9
123.11752	1.3
124.50706	0.4
125.00027	2.9
125.09618	1.1
127.03944	1.6
129.07036	0.9
131.08585	2.7
132.08934	0.5
133.10152	3.6
135.08063	0.7
135.11722	2.0
139.11285	0.5
143.08577	0.6
145.10120	2.7
146.10429	0.5
147.11722	1.2
149.09698	1.3
149.13306	0.9
151.11230	1.2
157.10263	0.4
159.11726	1.4
161.13373	0.7
163.11263	1.6
164.11513	0.6
173.13303	0.8
184.07373	12.2
185.04207	0.6
185.07716	1.1
189.11371	0.6
190.93118	0.4
223.13414	1.4
227.12860	0.6
239.17989	0.5
243.08514	2.6
257.19089	0.7
269.17621	2.0
270.17947	1.0
275.19983	2.9
276.20551	2.0
287.01953	0.5
293.21323	1.6
294.21536	0.9
331.18835	3.3
335.25885	3.4
336.26227	2.5
336.29764	0.5
337.27368	4.5
338.27780	2.6
340.69418	0.4
349.23706	0.7
350.24280	1.1
351.25183	0.6
367.24823	2.2
368.25137	2.4
519.29248	4.3
529.38995	1.8
530.39270	2.8
549.26788	5.2
611.46899	1.3
612.47119	1.9
629.48169	1.5
630.48126	6.8
729.40765	0.5
809.48401	0.6
827.49249	100.0
828.49396	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	826.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	4.5
61.02925	2.4
61.71846	0.6
63.45137	0.8
65.03944	3.6
65.78740	0.7
67.05508	88.3
69.03430	7.2
69.07072	38.5
69.30375	4.0
69.30790	1.5
71.01353	0.7
71.04990	3.9
71.07369	1.8
71.08631	2.0
73.02923	2.0
79.05497	45.4
80.05853	0.7
81.03425	9.7
81.07059	100.0
82.07388	1.4
83.04984	9.8
83.08621	17.1
85.02899	6.3
85.06549	3.9
86.09709	25.0
91.03967	1.5
91.04903	1.5
91.05482	37.0
93.07047	54.2
94.07362	1.1
95.04961	8.9
95.08611	54.6
96.08933	1.5
97.02889	4.1
97.06530	12.2
97.10164	8.2
98.98473	2.6
99.04463	1.6
99.08092	4.4
103.05468	1.7
104.10766	1.9
105.04542	1.6
105.07034	28.4
107.04973	5.8
107.07874	1.8
107.08599	32.3
109.02887	2.2
109.06525	5.0
109.10162	21.5
111.04439	1.1
111.08081	5.3
111.11721	1.8
113.09654	1.3
115.05454	2.0
117.07020	14.6
117.67366	0.7
119.04938	1.0
119.08582	24.8
120.08920	1.1
121.06536	3.3
121.10145	17.5
123.08112	3.9
123.11702	10.4
125.00002	14.6
125.09653	3.0
127.03934	3.0
129.05476	2.2
129.07037	3.4
130.07802	0.7
131.08580	15.6
133.06525	1.7
133.10139	21.5
134.10472	0.8
135.08095	2.7
135.11697	16.0
137.09607	2.2
137.13280	2.8
139.11208	1.1
141.07062	1.0
142.07825	0.8
143.08562	4.6
145.04987	1.3
145.06505	1.1
145.10132	12.2
147.08023	1.0
147.11682	10.7
149.09630	7.4
149.13246	9.7
149.14224	0.9
151.11198	2.9
151.14848	1.0
153.12758	1.2
154.07753	0.7
155.08514	1.3
157.10115	3.9
159.08064	1.0
159.11702	12.0
161.09703	1.1
161.13245	5.8
163.11197	5.2
163.14848	3.0
165.09201	1.1
165.12772	1.9
169.10129	1.7
171.11740	2.5
173.04507	2.5
173.11980	0.7
173.13239	3.5
175.11261	1.6
175.14865	2.8
177.12735	3.6
177.16428	0.9
179.14380	1.5
181.10130	0.8
181.12259	1.1
183.11690	1.5
184.07349	78.7
185.07785	1.5
185.13289	2.1
186.07896	0.8
187.11214	1.0
187.14825	1.1
189.11240	1.3
189.16515	0.8
195.12297	0.8
195.13808	5.1
197.13312	1.8
199.14845	1.1
217.15895	0.9
227.12869	2.1
229.19559	1.9
233.15553	0.8
235.16994	1.1
239.18065	2.4
243.12190	1.0
245.22722	3.0
247.20612	0.8
255.15880	10.5
257.19083	5.4
259.20752	1.1
261.22250	1.5
263.23706	4.0
267.16000	1.5
269.17487	29.4
275.20084	19.7
276.20502	1.2
277.21591	1.0
291.19598	1.4
293.18033	0.8
293.21222	2.5
309.20676	1.0
331.22757	2.6
333.24326	1.2
335.25827	3.8
336.26355	2.1
337.27374	91.0
338.27826	1.4
349.23785	19.3
367.24820	5.3
413.21869	2.2
491.37085	1.1
507.36691	1.3
513.39673	0.9
515.41174	1.0
517.38916	19.6
529.38867	1.5
531.40454	84.4
532.41211	1.9
547.40021	1.3
571.43610	4.4
596.56555	0.9
611.46735	26.6
612.47058	1.2
629.47675	11.5
675.44434	1.9
773.51233	1.0
794.53217	2.0
826.54327	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06623	0.5
60.08166	6.3
61.02921	0.3
67.05503	1.1
68.05788	0.1
69.03413	0.2
69.07066	0.5
71.07373	3.3
73.02908	0.3
79.05490	0.9
81.07051	1.2
83.08617	0.3
85.02904	0.2
86.09708	31.1
87.10024	0.2
91.03959	0.2
91.05472	0.9
93.07052	1.0
94.07381	0.2
95.04974	0.2
95.08611	0.6
97.02905	0.3
97.06545	0.3
97.10166	0.2
98.98470	3.5
104.10751	2.1
105.07041	0.7
106.07409	0.2
106.33749	0.1
107.04988	0.3
107.08597	0.5
109.10145	0.4
117.07055	0.2
119.08599	0.4
121.10162	0.3
125.00008	22.5
131.08562	0.3
133.10147	0.4
135.11705	0.3
145.10153	0.3
147.11731	0.2
159.11703	0.3
161.13292	0.3
163.01495	0.1
166.02736	0.2
184.07344	100.0
185.07709	0.5
191.58046	0.1
229.14485	0.2
243.08427	0.3
275.19992	0.3
313.27594	0.3
315.19275	0.3
316.19620	0.2
336.26401	0.2
337.27625	0.2
448.57495	0.2
467.37299	0.2
533.27173	0.5
534.27802	1.0
611.45892	0.3
710.22083	0.2
808.50415	0.2
826.49695	10.7
827.49243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08166	7.2
62.24155	1.1
64.20256	1.2
67.05505	23.3
69.07070	11.0
69.39282	1.0
70.50873	3.4
71.07353	2.1
71.08629	1.4
77.88659	0.9
79.05488	12.1
81.03402	2.2
81.07056	24.9
83.04998	2.1
83.08617	10.7
85.06529	1.9
85.16488	0.9
86.09170	1.5
86.09700	28.2
91.05478	11.6
93.07050	11.8
95.04971	4.7
95.08607	21.0
97.06519	2.9
97.10162	3.1
98.98492	3.4
104.10755	2.4
105.07025	8.6
107.04942	2.4
107.08586	7.7
109.06524	2.3
109.10172	9.0
111.08123	2.5
117.06991	2.5
119.08584	8.8
121.06506	1.7
121.10120	6.2
123.08068	2.1
123.11733	2.7
125.00000	22.2
125.09652	1.7
128.06221	1.0
131.08549	5.2
133.10143	7.6
135.11700	3.8
137.09616	1.4
145.10094	5.1
147.11673	4.3
149.09587	5.5
149.13255	1.9
151.11125	2.1
157.10121	1.2
159.11720	3.3
161.13277	1.7
163.11244	6.5
163.14818	1.2
169.10040	1.7
171.49774	1.1
173.13319	1.4
177.12845	1.6
184.07338	100.0
185.07657	1.5
191.52509	1.4
211.14868	1.1
227.12723	1.6
229.19521	1.2
239.18002	3.0
257.18976	2.2
259.14380	0.9
269.17465	1.2
269.63892	1.0
275.20071	17.3
283.20822	1.3
286.77872	1.2
293.21057	3.5
313.76587	1.1
330.84521	1.0
337.27368	46.3
338.28168	2.2
341.94965	1.2
349.23779	14.9
367.24777	11.6
425.80304	1.2
531.39917	1.7
611.46649	20.0
629.47705	25.6
641.68005	1.2
644.97321	1.2
826.55249	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	826.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06623	0.5
60.08166	6.3
61.02921	0.3
67.05503	1.1
68.05788	0.1
69.03413	0.2
69.07066	0.5
71.07373	3.3
73.02908	0.3
79.05490	0.9
81.07051	1.2
83.08617	0.3
85.02904	0.2
86.09708	31.1
87.10024	0.2
91.03959	0.2
91.05472	0.9
93.07052	1.0
94.07381	0.2
95.04974	0.2
95.08611	0.6
97.02905	0.3
97.06545	0.3
97.10166	0.2
98.98470	3.5
104.10751	2.1
105.07041	0.7
106.07409	0.2
106.33749	0.1
107.04988	0.3
107.08597	0.5
109.10145	0.4
117.07055	0.2
119.08599	0.4
121.10162	0.3
125.00008	22.5
131.08562	0.3
133.10147	0.4
135.11705	0.3
145.10153	0.3
147.11731	0.2
159.11703	0.3
161.13292	0.3
163.01495	0.1
166.02736	0.2
184.07344	100.0
185.07709	0.5
191.58046	0.1
229.14485	0.2
243.08427	0.3
275.19992	0.3
313.27594	0.3
315.19275	0.3
316.19620	0.2
336.26401	0.2
337.27625	0.2
448.57495	0.2
467.37299	0.2
533.27173	0.5
534.27802	1.0
611.45892	0.3
710.22083	0.2
808.50415	0.2
826.49695	10.7
827.49243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.5
59.58599	0.5
60.08166	2.8
61.02934	3.2
65.03939	0.6
67.05509	8.3
69.03423	2.3
69.07069	7.5
69.81712	0.9
69.82130	2.0
71.04995	0.9
71.07376	1.8
73.02920	2.2
74.13554	0.6
79.05491	8.0
81.03416	2.7
81.07055	9.5
83.04989	1.5
83.08620	1.6
85.02907	3.4
85.06564	0.7
86.09714	14.3
87.10072	0.7
91.03975	2.0
91.05484	9.4
93.07059	7.1
95.01337	0.7
95.04999	1.5
95.08617	6.4
97.02901	2.7
97.06546	2.4
97.10194	0.9
98.98480	1.6
99.04463	0.6
101.02399	1.5
104.10809	1.0
105.07034	8.6
107.04967	3.4
107.08582	4.9
108.48245	0.5
109.02877	0.6
109.06505	1.0
109.10175	2.4
109.53029	0.5
113.09669	0.7
117.07027	2.9
119.08586	5.2
121.06472	0.8
121.10123	3.2
122.10448	0.6
123.04422	0.7
125.00005	9.8
125.09621	1.1
127.03909	0.7
129.07028	1.0
131.08546	3.7
133.10126	5.2
134.10524	0.5
135.08073	0.7
135.11710	1.9
137.76958	0.5
145.10110	3.2
147.11702	2.1
149.09628	2.6
149.13272	1.0
151.11235	0.7
155.08521	0.6
157.10147	1.1
159.11714	2.4
161.13338	1.6
163.11232	1.6
173.13304	1.3
175.14867	0.8
177.12794	0.9
179.14340	2.1
183.11812	0.8
184.07346	47.6
185.07735	4.0
185.13345	0.9
187.11235	1.1
243.08322	3.5
257.19229	0.5
259.20679	1.1
274.40695	0.5
275.20032	3.5
276.20435	0.7
315.19269	5.8
333.24335	0.7
335.25638	2.6
336.26181	1.2
349.23874	1.5
350.24283	1.0
367.24841	0.7
371.21906	2.7
488.67310	0.6
496.78281	0.5
533.27209	18.6
597.47308	0.6
609.44830	1.6
610.45520	2.3
628.46478	0.7
663.42084	0.8
775.50824	3.9
825.47589	100.0
826.48102	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01481	1.0
59.99009	0.9
61.02921	3.0
63.41865	0.9
65.03928	3.3
66.90853	1.1
67.05509	39.2
69.03429	1.5
69.06727	1.4
69.07073	16.8
69.46587	2.6
69.46981	6.2
71.04967	1.3
76.80109	1.0
79.05495	39.6
81.03400	1.6
81.06600	2.4
81.07059	37.7
83.04975	1.9
83.08623	8.0
85.02895	3.9
85.06536	2.0
85.65331	1.1
86.09730	1.2
91.03956	1.1
91.05484	44.7
93.07049	47.3
93.07642	2.3
95.04964	4.8
95.08607	31.5
97.02869	1.8
97.06523	3.1
97.10142	3.7
98.21481	1.6
99.08086	2.4
103.05450	1.4
105.07034	45.9
106.63193	1.3
107.04981	1.3
107.08592	19.2
109.06515	1.3
109.09583	1.0
109.10178	10.8
111.08087	2.1
115.05434	1.9
117.07025	25.3
119.08581	30.6
121.06512	1.5
121.10150	18.6
123.08054	1.8
123.11735	5.2
125.00042	1.4
127.03895	1.1
128.06192	3.0
129.07021	14.1
130.07819	2.3
131.08569	26.3
133.10139	19.4
135.11696	9.8
139.11179	1.3
141.06960	6.8
142.07793	2.6
143.08559	16.1
145.06418	1.1
145.10132	22.1
147.11696	15.0
149.09570	1.1
149.13261	5.5
150.65700	1.2
153.06981	1.6
154.07790	1.3
155.08574	10.1
156.09306	1.8
157.10132	14.8
159.11694	17.7
161.13278	6.4
163.14836	2.9
167.08551	3.7
169.10126	10.9
171.11687	15.7
173.13240	8.4
175.11102	1.4
175.14799	3.0
179.08594	1.9
181.10124	6.5
183.11699	11.3
184.07323	6.1
185.13271	10.1
187.14833	6.5
189.16403	3.4
193.10150	2.6
194.11023	1.3
195.11736	7.2
197.13261	8.0
199.13159	1.9
199.14819	6.3
201.16457	2.6
203.17958	1.6
207.11732	2.9
209.09488	1.2
209.13289	5.5
211.14865	6.4
213.16562	2.1
215.17989	2.0
221.13306	2.6
223.14850	4.6
225.16354	4.3
227.18011	2.7
229.19606	1.6
235.14879	2.0
237.16388	3.5
239.17931	3.3
241.19554	3.7
249.16371	1.7
253.19537	1.6
257.18961	4.9
259.20676	5.4
265.19513	1.3
269.18939	1.2
271.20618	1.3
295.20200	1.2
297.22067	2.3
309.22086	1.4
311.23553	2.1
323.23795	1.7
325.25256	1.3
333.24243	5.8
335.25684	3.4
339.23041	1.1
339.27173	1.4
349.25241	1.2
351.26764	2.2
363.26785	1.4
365.28622	1.8
367.26651	1.4
377.28207	1.6
409.31018	1.2
435.32346	1.4
447.32001	2.7
469.32635	1.5
501.35468	2.4
517.40552	9.7
521.36072	1.9
535.41492	6.3
539.37238	3.3
540.38202	1.4
573.42883	1.9
591.44281	8.5
609.45154	100.0
610.45453	3.8
699.45465	1.7
735.47693	2.0
771.50122	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	1.0
60.46881	1.1
61.02911	3.0
65.03942	4.9
67.05508	74.9
69.03439	9.1
69.07072	29.4
71.04988	3.7
71.08614	1.0
71.38301	1.6
73.02911	1.4
79.05496	64.7
81.03423	9.5
81.07059	86.4
83.04988	11.2
83.08624	16.0
85.02904	6.0
85.06527	3.9
86.09698	3.8
88.62821	1.0
91.05485	48.1
91.72229	1.1
93.07048	68.3
94.07326	1.0
95.04973	10.0
95.08611	53.4
97.02886	4.9
97.06524	11.6
97.10143	5.1
99.04384	1.3
99.08064	2.9
105.04554	1.7
105.06316	1.3
105.07036	36.1
107.04977	6.1
107.08599	41.3
109.02895	2.1
109.06522	5.1
109.10162	22.9
111.08060	4.6
113.06010	1.2
113.09628	1.4
114.76765	0.9
115.05416	2.0
115.09576	1.0
117.07028	15.6
119.04987	1.0
119.08591	25.2
121.06464	3.3
121.10146	27.4
123.08056	3.4
123.11715	7.1
124.99989	3.0
125.09616	3.5
127.03883	3.6
128.06134	1.2
129.05492	1.7
129.07008	5.2
131.08585	23.5
133.10132	22.6
135.08035	3.9
135.10704	1.6
135.11700	20.8
137.09608	2.7
137.13283	2.3
141.06989	2.3
143.08607	5.2
145.04988	2.0
145.06543	1.0
145.10124	17.4
147.11710	15.9
149.09647	9.4
149.13252	14.9
151.11197	1.9
155.08531	3.1
157.10155	6.4
159.11705	14.9
161.13261	7.6
163.11186	4.3
163.14818	3.7
165.12770	2.4
167.14441	1.2
169.10065	2.8
171.11656	4.1
173.04440	2.8
173.13261	6.7
175.11162	1.3
175.14833	1.6
177.12762	3.9
179.14307	1.5
181.12328	1.4
183.11707	2.5
184.07364	15.5
184.53908	1.0
185.13312	3.0
187.11414	1.0
187.14757	3.1
189.11288	1.2
195.11980	1.0
195.13699	4.8
197.13237	2.4
199.14804	2.8
201.16418	1.9
211.14803	0.9
215.17741	1.2
217.15729	1.5
227.12840	1.2
229.14253	1.4
229.19662	1.3
239.18007	2.4
241.19629	1.3
243.21176	3.4
247.20599	1.1
250.13274	1.1
255.15877	11.9
257.19043	6.2
259.20578	2.9
261.22159	10.1
267.15686	1.2
269.17487	33.2
275.20065	22.3
285.22107	1.1
293.21072	3.8
309.20685	2.9
317.24744	2.5
331.22748	2.2
333.24283	1.7
335.25812	100.0
336.26263	1.9
339.17938	1.8
349.19772	1.9
349.23767	25.8
367.24927	6.5
413.21869	1.6
437.34134	2.4
493.27893	1.7
515.37329	21.3
529.38904	76.6
530.39050	1.9
543.40796	1.4
557.39203	1.2
559.37512	1.2
569.42078	7.4
609.45215	25.1
627.46094	8.1
740.05737	1.1
832.31543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	1.7
61.02925	2.1
65.03942	5.5
67.05507	74.3
67.28770	1.0
69.03445	7.9
69.07072	22.4
69.15519	3.0
69.15934	8.5
71.04990	4.4
71.26974	1.1
77.03918	1.6
79.05499	74.2
81.03421	5.1
81.07062	69.1
83.04986	7.4
83.08624	26.9
85.02912	3.0
85.06553	3.3
91.05487	39.0
93.07048	62.1
95.05007	6.5
95.08614	45.7
97.02905	2.7
97.06530	4.7
97.10173	47.3
99.08059	2.0
101.09668	1.6
105.04516	2.2
105.07038	34.8
107.04954	4.7
107.08601	76.0
108.22147	1.1
109.02876	2.7
109.06522	4.4
109.10161	27.1
111.08091	4.4
117.07026	12.1
119.06096	2.0
119.08583	26.0
121.06519	1.3
121.10154	25.7
123.08107	2.3
123.11710	8.1
125.09634	40.2
127.03941	3.9
129.07014	3.3
131.08571	17.5
133.10138	22.3
135.08073	5.3
135.11699	18.3
137.09628	2.4
143.08556	3.4
143.10712	1.6
145.10133	21.1
147.11682	14.9
149.09628	7.0
149.13202	5.5
153.09088	3.0
155.08510	1.3
157.10107	3.9
159.11720	11.0
161.13268	7.5
163.11211	2.8
163.14818	2.8
169.10133	2.4
171.10193	5.6
171.11694	4.9
173.11891	1.8
173.13255	7.6
175.14850	3.5
183.11717	3.0
184.07338	3.4
185.13286	3.7
187.11172	1.2
187.13275	1.7
187.14857	3.5
189.11227	20.6
189.12746	0.9
189.16461	1.6
197.13339	2.4
199.14816	1.5
199.91164	1.2
201.16364	2.7
211.14767	1.6
227.12790	52.8
229.19696	1.6
233.22659	1.2
239.17940	3.8
241.19577	1.9
243.21121	4.7
245.13651	1.9
257.19019	8.5
259.20572	5.0
261.22125	17.8
275.20078	36.1
277.21643	3.1
293.21259	1.6
313.21823	1.4
317.24667	2.9
331.22678	5.1
333.24295	5.2
335.25821	94.0
337.27127	1.6
349.23743	46.9
351.25235	3.6
367.24973	2.1
367.29669	2.6
389.18048	6.1
427.48587	1.3
487.34256	3.5
505.35229	26.5
515.37238	1.4
517.40686	2.3
535.41577	2.2
593.89532	1.2
609.45154	100.0
610.45306	3.8
627.45905	12.4
649.39459	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.1
65.03925	3.5
67.05507	53.1
69.03416	2.8
69.06734	1.2
69.07072	16.6
71.01926	1.5
71.04978	3.0
73.02927	1.0
74.58974	0.7
79.05496	43.3
79.74767	0.6
81.03413	3.7
81.07059	51.9
83.04985	8.3
83.08162	1.1
83.08624	17.9
83.97593	0.7
85.02907	3.8
85.06541	2.4
86.09700	2.3
91.05484	28.9
93.07047	48.4
94.07342	0.9
95.04970	35.9
95.08611	38.8
97.02891	1.3
97.06522	5.0
97.10175	6.7
99.04460	2.9
99.08073	1.2
103.03998	0.7
103.05485	1.3
105.04532	1.7
105.07037	25.9
105.31203	0.7
106.26878	0.7
107.04955	5.6
107.08591	30.7
109.06527	5.4
109.10160	15.7
111.04445	6.6
111.08100	4.5
112.40765	0.7
115.05486	0.8
117.05530	0.7
117.07024	8.3
119.07813	1.5
119.08588	19.4
121.06501	2.7
121.10152	22.3
123.08063	3.0
123.11707	4.7
124.99993	1.5
125.05965	0.8
125.09653	7.4
125.16072	0.7
128.06303	0.9
129.07011	2.6
130.07721	1.0
131.08577	13.7
133.06447	1.0
133.10129	14.9
135.08067	4.0
135.11688	11.6
137.09581	2.4
137.13240	0.9
139.11145	1.7
143.08560	3.0
145.10109	16.2
147.08032	2.6
147.11684	8.7
149.09627	13.3
149.13275	3.5
151.11134	2.1
153.12758	1.3
155.08510	1.3
157.10165	1.6
159.11679	8.3
161.09621	0.8
161.13240	3.9
163.11180	17.9
163.14827	1.0
165.12738	1.6
169.10127	2.4
170.91521	0.8
171.11658	2.2
173.09674	0.9
173.13258	3.7
175.11182	1.3
175.14851	1.6
177.12781	2.3
179.14313	0.9
181.12225	0.9
183.11633	0.9
184.07394	6.2
187.11192	2.4
187.14824	2.0
189.11230	4.6
189.12842	1.5
191.14386	0.8
197.13239	2.0
205.12276	2.1
215.14380	1.0
223.13286	19.3
227.12779	1.9
229.19510	2.5
239.17969	1.8
243.21060	2.3
245.27660	0.8
257.18961	4.8
261.22226	4.3
273.18481	1.3
275.20071	30.7
293.21112	19.0
317.24661	2.1
331.22504	1.1
335.25803	100.0
336.26093	2.4
349.23706	13.7
367.24799	26.7
515.37482	1.2
518.48059	0.9
529.38904	3.8
540.52899	0.8
609.45154	19.5
610.44531	1.0
627.46191	78.4
628.46008	3.0
645.47504	1.0
657.09210	0.9
776.83722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02948	1.3
62.74822	1.2
65.03947	3.9
67.05510	78.3
67.33281	1.3
68.05821	2.0
69.03431	4.7
69.06734	2.0
69.07079	28.0
71.04993	5.3
71.08632	2.1
71.53352	2.3
71.53728	1.7
77.03911	1.8
79.05497	58.9
81.03426	12.4
81.07062	92.6
82.07398	3.2
83.04995	10.6
83.08633	17.2
85.02921	3.7
85.06563	3.1
86.09700	4.5
91.05485	48.7
92.05792	2.5
93.07052	59.2
94.07404	1.7
95.04963	16.8
95.08612	52.1
96.08956	2.5
97.02905	2.4
97.06534	8.7
97.10172	17.8
99.04465	1.5
99.08101	3.5
105.04523	2.3
105.07036	42.2
105.98367	1.5
106.07381	2.9
107.04974	9.5
107.08607	36.5
108.08902	1.8
109.06547	9.6
109.09446	2.8
109.10151	20.1
111.04436	10.2
111.08084	5.6
115.05458	1.7
117.07018	17.8
119.06041	1.4
119.08590	35.3
119.99611	1.4
120.08952	2.5
121.06522	6.5
121.10168	23.0
123.04441	2.4
123.08072	21.7
123.11697	4.7
124.99997	2.4
125.09641	16.4
127.03971	1.8
129.07040	8.4
131.08575	21.5
133.06494	3.3
133.10143	22.5
134.10497	2.1
135.08076	6.2
135.11707	14.7
137.09641	4.8
139.11200	2.0
141.07039	1.7
142.07788	1.8
143.08562	7.0
145.06422	1.9
145.10127	19.9
147.08060	5.5
147.11688	13.8
148.12050	1.8
149.09660	7.3
149.13280	4.8
151.11188	1.5
153.09079	2.0
153.12733	5.3
155.08568	2.2
157.10165	9.2
159.08090	3.6
159.11699	10.8
161.09653	6.0
161.13225	7.4
163.11179	14.3
163.14894	2.6
165.09151	4.1
165.12769	1.7
167.10870	1.9
169.10114	1.9
171.10254	2.3
171.11685	7.0
173.09645	2.5
173.13278	5.0
175.11177	4.6
175.14806	3.4
177.12720	2.7
179.14291	2.5
181.10098	1.5
181.12195	5.7
183.11722	2.9
184.07344	14.6
185.13286	4.4
187.14862	2.5
189.11224	11.5
189.12735	2.0
191.10718	4.0
193.12230	3.7
197.13144	1.5
199.14816	3.6
211.13254	3.1
213.16435	1.7
219.17511	1.8
223.13277	4.1
227.12715	10.2
241.19560	2.9
242.20049	1.7
243.21257	1.5
245.13763	1.8
245.18964	3.5
249.14902	1.9
255.17439	2.6
257.19089	2.3
259.20572	8.2
260.21024	2.8
261.22165	5.5
267.16275	1.4
273.18521	26.4
275.20081	10.9
276.20386	4.7
283.15421	3.9
291.19562	53.4
293.21011	1.7
309.20670	5.5
315.23111	2.2
317.24881	1.8
333.24356	8.2
334.24573	6.1
335.25830	100.0
336.26129	2.2
347.22122	6.3
349.23804	5.9
350.24142	5.2
365.23294	24.4
383.24362	11.9
505.35229	2.1
533.39807	1.9
545.38403	4.4
561.37878	2.8
607.43793	9.3
608.43909	22.5
609.44995	2.1
625.44556	32.0
626.44611	5.8
643.45679	29.6
661.41913	4.1
823.48120	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	822.5723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.2
57.07069	2.7
58.93921	1.4
65.03941	5.4
67.05506	84.7
69.03409	2.7
69.07071	22.6
70.66308	1.8
71.04992	3.5
77.03909	2.0
78.99723	1.5
79.05492	68.8
81.03414	2.4
81.07059	81.3
83.04971	3.3
83.08617	13.5
85.02904	3.2
85.06519	4.4
86.09718	2.6
91.04903	2.8
91.05486	72.7
93.07048	80.2
93.07641	3.8
95.04981	7.8
95.08608	65.8
97.02887	2.3
97.06532	4.4
97.10175	5.4
99.08109	1.9
105.04520	3.3
105.07032	72.9
107.08593	43.3
109.06517	3.5
109.10160	26.7
111.08067	2.1
114.40013	1.6
117.07011	24.9
119.08585	54.1
121.10159	35.5
123.08040	2.8
123.11713	9.0
124.99965	1.9
125.09658	2.9
128.06226	1.6
129.07013	11.0
131.08572	32.7
133.10143	43.0
133.48918	1.6
135.08092	1.9
135.11708	27.2
137.13277	3.6
142.07736	1.9
143.08553	13.4
145.10130	27.8
147.08020	2.0
147.11685	37.1
149.09634	3.9
149.13252	13.6
151.11182	1.9
155.08537	3.3
157.10101	12.1
159.11694	24.9
161.13251	28.9
162.91660	1.4
163.11150	2.2
163.14832	5.1
169.10025	3.1
171.11687	11.4
173.13281	20.4
173.86273	1.5
175.14806	11.3
177.12787	2.4
177.16273	1.7
179.14392	1.9
183.11685	3.3
184.07362	15.8
185.13269	8.4
187.14845	5.5
189.12805	2.2
189.16409	3.2
195.11627	2.2
197.13281	4.4
199.14839	6.6
201.16469	2.7
203.14125	1.6
207.50166	1.7
211.14812	2.0
213.16423	3.4
215.17976	2.3
229.18874	2.0
231.17538	2.0
231.21001	7.8
239.17978	3.8
241.19568	28.1
241.32135	1.5
243.21074	4.0
257.19080	12.5
259.20590	70.1
261.22134	15.5
271.20349	1.6
275.20099	2.4
277.21597	3.2
297.22153	1.6
315.23233	5.7
331.23141	2.2
333.24240	62.2
333.28247	3.8
335.25821	100.0
336.26233	2.8
337.27356	4.2
339.23108	1.7
351.25247	1.7
423.32669	2.1
519.42139	5.8
529.39374	1.8
537.43115	3.4
593.45477	16.2
611.46686	75.7
681.50708	2.8
762.55548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	18.3
57.07069	4.3
58.55367	1.0
59.04978	1.5
61.02917	3.0
65.03937	6.0
66.20523	1.2
67.05506	100.0
69.03424	3.0
69.07067	24.8
69.91727	3.8
69.92134	2.3
71.04984	3.8
71.08640	1.5
73.12325	1.0
77.03922	1.5
77.22636	1.1
79.05495	77.6
81.03423	1.5
81.07056	96.3
83.04983	3.4
83.08615	11.7
85.02903	3.5
85.06531	4.1
91.05484	73.5
93.07047	95.3
95.04970	7.4
95.08608	65.2
97.02902	1.2
97.06524	5.1
97.10152	6.0
99.08092	3.4
105.04512	2.8
105.07033	76.1
107.04965	2.3
107.08598	52.1
109.06509	3.2
109.10156	30.5
111.08070	3.2
115.05401	1.7
117.07012	28.3
119.08585	58.3
121.10146	43.0
123.08070	4.0
123.11706	7.3
125.09644	1.5
128.06180	2.7
129.05504	1.6
129.07033	12.0
131.08565	38.1
133.10135	51.4
135.08057	1.9
135.11702	29.6
137.06059	1.2
137.09616	1.5
137.13301	2.7
141.06917	1.9
142.07808	1.8
143.08569	13.8
144.09299	1.2
145.10127	31.3
147.11685	40.8
149.09596	4.4
149.13258	17.8
151.11267	1.7
155.08585	3.2
156.09306	1.7
157.10132	13.2
159.11690	29.4
161.13268	29.5
163.11183	2.7
163.14801	5.2
165.16396	1.5
169.10120	4.0
171.11673	14.6
173.13261	18.1
175.14816	11.1
177.12700	1.6
183.11707	3.3
184.07378	7.1
185.13255	10.7
187.14850	6.3
189.16330	1.7
197.13213	3.9
199.14818	7.8
201.16315	2.4
203.14281	1.2
209.13377	1.3
211.14807	1.9
213.16472	3.2
215.18073	2.3
217.19521	1.7
229.19460	1.7
231.17303	1.8
231.21034	6.4
239.17943	4.0
241.19565	22.3
243.21126	3.9
257.18988	8.7
259.20575	53.1
261.22241	10.4
271.20645	2.2
285.22183	1.6
289.21603	1.6
299.23361	1.2
315.23120	4.9
321.76379	1.3
331.22745	3.4
333.24240	49.8
335.25803	83.6
336.25827	1.8
337.27457	4.4
351.25412	2.2
353.28384	1.5
369.23816	1.4
501.41208	1.9
519.41791	5.2
537.42749	2.6
593.45807	12.9
611.46716	58.8
612.46710	2.9
623.46411	1.3
681.50037	1.4
693.76514	1.3
701.47174	2.4
752.17267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	11.9
57.07061	4.8
60.08146	2.9
65.03933	6.6
67.05508	81.8
68.05829	2.7
69.03423	6.3
69.07072	32.9
71.04980	8.6
71.52405	3.3
79.05493	79.7
81.03407	11.7
81.07059	89.7
82.07376	3.1
83.04981	15.2
83.08624	42.3
85.02873	8.6
85.06535	5.4
86.09715	12.5
91.05482	88.5
93.06487	4.8
93.07047	82.0
93.07638	4.3
94.07377	4.4
95.04975	66.8
95.07990	3.2
95.08605	58.2
96.05275	3.6
97.02884	6.6
97.06535	15.5
97.10178	14.4
98.98435	2.8
99.04433	7.5
103.05424	3.4
105.04520	5.0
105.07035	88.3
106.07367	3.4
107.04989	14.6
107.07881	4.7
107.08594	65.3
108.08926	2.6
108.76818	2.4
109.06517	13.8
109.10163	26.3
111.04414	7.6
111.08097	10.5
115.77646	3.4
117.07027	25.3
119.08580	63.1
121.06483	8.3
121.10149	38.3
122.10488	3.9
123.08067	9.3
123.11718	5.8
124.99968	8.9
125.09626	11.9
128.06271	4.8
129.07002	17.2
131.08571	43.9
133.10133	55.6
135.08028	7.7
135.11684	22.9
137.09598	4.0
137.13106	3.0
139.11131	3.2
141.06982	5.9
143.08560	16.2
145.10127	41.3
146.10442	3.6
146.34659	2.8
147.08002	9.4
147.11687	41.8
149.09613	23.9
149.13252	9.2
150.09923	3.1
151.11168	4.1
155.08507	7.1
157.10132	15.0
159.11684	25.9
161.09576	2.7
161.13264	23.5
163.11197	29.2
165.12744	3.6
169.10127	7.2
171.10425	2.5
171.11687	18.1
173.11833	3.8
173.13197	13.5
175.11261	4.7
175.14803	10.5
177.12766	5.7
181.10144	4.5
183.10068	2.5
183.11703	11.3
184.07335	34.1
185.13252	12.4
187.11096	6.5
187.14789	4.6
189.11217	10.1
193.12122	3.1
197.13219	5.6
199.14926	5.0
199.83116	2.9
203.14307	2.7
213.16260	3.2
215.14056	2.7
223.13252	31.4
227.12675	5.6
229.19440	3.3
231.21144	5.2
239.17917	6.3
241.19525	23.1
257.19037	9.7
259.20581	45.8
260.20755	2.7
265.43228	2.9
273.18512	5.4
275.20078	65.3
276.20370	8.9
277.21463	3.3
291.19458	3.9
293.21176	31.1
315.23148	9.7
327.22757	3.0
333.24249	93.7
335.25851	4.3
349.23740	23.7
350.23972	7.0
351.25543	4.4
367.24832	46.7
367.29312	3.5
388.78876	2.7
497.36423	6.1
499.33911	8.0
513.35626	6.0
515.38263	4.2
517.35065	3.0
537.24078	3.5
539.36938	3.7
551.41791	3.1
607.43634	27.5
624.43091	7.1
625.44592	100.0
626.44775	3.5
642.43896	7.0
643.45288	5.3
660.44122	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	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.0
57.07071	1.9
60.08158	1.8
61.02907	2.7
64.83714	0.8
65.03939	3.9
66.62830	0.6
67.05505	86.8
69.03429	4.4
69.07070	23.0
69.29871	1.5
69.30281	5.0
71.04996	5.5
71.07367	1.1
74.13730	0.8
79.05492	60.7
81.03430	6.6
81.07056	93.3
81.19324	0.8
83.04982	13.7
83.08625	9.0
85.02901	3.2
85.06535	5.7
86.09703	12.8
87.04417	1.0
91.05482	62.2
93.07043	70.0
94.07302	0.7
95.04969	12.0
95.08607	47.6
97.02882	2.7
97.06534	6.9
97.10177	3.9
98.20782	1.3
98.98447	1.4
99.04452	1.4
99.08090	1.5
101.06030	0.9
103.05470	1.7
105.04476	2.3
105.07034	53.1
107.04971	5.9
107.08592	48.5
109.02880	1.6
109.06519	8.8
109.10157	62.3
109.40870	0.7
111.04409	2.1
111.08090	3.5
113.06010	2.3
113.09566	0.8
114.89371	0.7
115.05486	0.7
115.07569	0.8
116.06195	1.1
117.07011	10.3
119.06084	1.0
119.08582	21.1
121.06512	8.2
121.10146	19.0
123.04420	1.2
123.08083	4.3
123.11713	11.7
125.00005	9.5
125.09634	2.7
127.03867	1.0
127.07544	3.1
128.06200	1.8
129.07002	4.3
130.07748	1.0
131.08565	18.1
133.06519	4.4
133.10132	70.4
135.08060	5.9
135.11702	13.4
137.05933	0.9
137.09593	2.9
137.13211	1.2
141.06973	1.0
143.08540	4.8
145.06451	1.0
145.10117	11.9
147.08072	3.6
147.11700	7.6
149.09622	5.2
149.13217	5.6
151.11185	25.5
153.12735	1.5
155.08551	1.2
157.08963	0.7
157.10121	4.5
159.08032	2.0
159.11687	7.7
161.09601	6.8
161.13278	5.6
163.11217	2.0
163.14850	2.1
169.10092	0.9
169.12245	5.3
171.07898	0.8
171.11661	3.7
173.09528	0.8
173.13246	4.6
175.11191	1.7
175.14833	1.8
177.09128	2.3
177.12659	1.0
179.10640	1.5
181.10068	1.4
184.07339	43.2
185.13272	1.9
187.11171	1.0
187.14841	2.1
189.12737	1.1
189.16812	0.8
191.14124	0.8
199.14854	1.0
213.16710	0.9
215.12704	4.2
223.13379	0.8
227.18039	1.8
241.19418	0.8
243.21078	2.8
245.19055	4.8
251.12723	1.7
253.14355	100.0
254.14781	1.4
255.17406	2.4
259.20651	3.3
261.22156	13.1
263.20108	4.3
271.15494	1.7
273.18506	21.1
274.18777	1.0
275.20084	1.1
291.19543	23.0
309.20581	2.9
315.23209	0.9
317.24832	2.6
329.21176	1.1
333.24298	1.4
335.25797	95.7
336.26331	1.8
337.27493	1.0
347.22205	8.3
349.23492	1.1
365.23242	38.8
383.24127	1.2
439.32123	1.7
457.32962	1.9
513.35767	6.1
529.34985	3.2
531.36804	36.2
551.40631	1.0
580.51581	0.8
607.43567	9.0
625.44604	79.5
626.44922	2.4
678.66895	0.9
820.32788	0.9
822.58264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.5
57.07071	3.7
59.21041	0.8
61.02911	1.4
64.54536	0.9
65.03951	5.0
67.05511	93.1
68.12228	0.9
68.99772	1.3
69.03425	7.4
69.07072	23.6
69.25914	9.7
69.73925	1.0
71.05005	6.5
73.02919	1.1
79.05499	67.1
79.87562	0.9
81.03426	8.7
81.07062	96.7
83.04991	17.3
83.08620	9.5
85.02901	2.3
85.06551	5.5
86.09715	7.2
91.05487	69.3
93.07050	74.4
95.04974	14.7
95.08614	50.9
97.02888	1.3
97.06535	9.4
97.10186	5.8
99.04461	1.8
99.08102	1.5
103.05484	2.3
104.10734	1.0
105.04557	2.6
105.07040	60.0
107.04965	8.9
107.08604	57.4
109.06538	9.4
109.10165	54.7
109.10938	1.4
110.10478	1.4
111.04459	1.6
111.08097	4.2
113.06001	1.5
115.05441	2.5
116.06220	1.2
117.07027	12.9
119.04927	1.3
119.08589	25.6
119.09378	2.1
121.06493	8.9
121.10162	25.0
123.04414	1.2
123.08090	7.9
123.11720	11.9
125.00008	5.6
125.09653	3.2
127.07578	2.9
128.06194	2.3
129.07014	6.3
131.08577	21.3
133.06491	6.7
133.10144	69.9
135.08075	10.7
135.11700	14.8
137.09604	4.0
137.13266	1.3
139.07533	1.3
141.06982	1.5
142.07779	1.6
143.08583	6.0
145.06465	1.5
145.10139	14.0
146.07300	1.1
147.08092	6.7
147.11693	7.6
149.09662	8.0
149.13274	6.8
151.11186	33.1
155.08545	1.6
157.10153	6.9
159.08031	2.6
159.11719	11.0
161.09616	11.4
161.13310	5.2
163.11188	3.5
163.14828	2.0
165.09157	1.2
165.12720	1.3
169.10152	2.2
169.12250	3.6
170.10965	1.2
171.11739	5.0
173.09645	1.9
173.13287	6.9
175.11185	5.1
175.14864	1.5
177.09105	3.8
177.12779	1.6
179.10672	2.0
181.08661	1.2
183.11798	1.3
184.07356	25.3
185.07690	1.7
185.09491	1.2
185.13292	3.2
187.11203	2.1
187.14874	2.8
189.12753	3.6
195.11725	1.1
197.11694	1.4
198.82637	1.1
199.14809	1.2
207.13646	1.2
208.38144	1.2
209.13365	1.3
215.12788	3.2
217.05681	1.0
217.57532	1.0
221.08713	0.9
227.12689	1.0
227.17934	2.6
235.13206	1.1
243.21103	3.2
245.19078	8.3
251.12833	2.9
253.14377	76.7
255.17601	4.9
259.20468	1.6
261.22144	12.2
263.20099	6.8
271.15356	2.1
273.18536	39.3
275.20126	2.2
291.19562	32.2
309.17386	1.4
309.20673	4.8
317.24786	2.1
329.21167	1.2
333.24258	1.3
335.25824	70.7
336.25903	1.3
347.22119	12.2
349.23822	1.5
360.99026	1.1
365.23270	51.5
383.24402	2.1
439.32095	2.0
457.33105	1.8
457.45908	1.1
513.35883	9.4
529.35205	3.4
531.37000	14.2
533.40161	1.2
540.84796	1.1
551.40747	1.3
569.38635	1.5
607.43488	9.2
625.44666	100.0
626.45026	2.5
643.45941	2.0
759.56622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.7
57.07069	1.4
65.03941	3.3
65.05570	0.6
65.19741	0.6
67.05508	42.5
69.03432	1.9
69.07073	25.9
69.47279	4.7
71.04991	2.7
77.03918	1.5
79.05495	43.8
80.05853	0.7
80.99602	0.6
81.03427	6.5
81.07061	60.8
83.04989	4.5
83.08623	8.4
85.02900	1.0
85.06551	3.8
86.09705	1.5
91.05486	67.3
93.07047	47.5
94.07386	0.7
95.01338	5.1
95.04983	7.4
95.08612	30.7
97.02917	0.9
97.06537	13.5
97.10170	2.8
98.84132	0.6
99.04455	1.4
99.08089	1.0
103.05460	1.8
105.04537	1.7
105.07036	75.7
107.04961	11.9
107.08600	22.5
109.06527	9.5
109.10158	11.1
111.04430	0.9
111.08091	4.3
113.09653	1.2
115.05483	2.0
116.06290	0.6
117.07021	17.9
119.08587	51.0
121.06503	3.0
121.10149	18.1
123.04446	1.1
123.08069	4.6
123.11690	2.9
124.99998	0.8
125.09646	2.6
128.06271	1.0
129.07022	6.5
131.08574	27.5
133.06548	0.9
133.10138	43.6
135.08061	3.2
135.11699	11.5
137.09662	2.3
138.15076	0.6
139.07542	1.4
141.07019	2.2
142.07736	1.2
143.08575	7.3
145.06502	1.5
145.10127	21.7
147.08012	1.3
147.11694	24.7
149.09621	6.2
149.13283	6.4
151.11195	2.1
155.08559	3.0
157.10158	6.1
159.11705	16.8
161.09641	1.6
161.13254	13.0
163.11165	4.5
163.14838	2.6
165.09117	1.3
169.10109	2.9
170.10805	0.8
171.11674	6.1
173.09712	0.7
173.13272	8.3
175.11237	1.2
175.14844	5.4
177.12807	2.7
179.14313	8.2
181.10205	0.9
181.12163	0.7
183.11696	2.9
184.07358	3.9
185.13272	5.7
187.11230	2.8
187.14880	2.9
189.12759	1.2
189.16438	1.0
195.11700	0.8
197.13309	2.4
199.14859	2.3
201.12880	0.9
201.16411	1.9
203.14305	0.7
207.13945	0.8
211.14886	1.4
213.16437	2.4
215.17984	1.5
217.16011	0.9
217.19574	1.3
219.17451	25.4
223.14969	0.9
229.19568	1.5
231.21040	1.4
239.18001	1.6
241.19525	15.0
243.20918	0.7
247.20619	2.1
257.19025	7.1
259.17734	0.7
259.18198	0.4
259.20581	23.6
273.18637	1.7
275.20068	53.2
276.20459	0.7
277.21680	1.6
279.16019	1.2
291.19534	0.9
293.21286	2.7
297.22433	0.9
313.21811	0.7
315.23199	9.2
331.22623	1.5
333.24258	51.9
335.25876	2.4
347.22144	0.8
349.23743	43.6
350.24271	1.1
351.25500	1.4
435.32364	0.9
437.34158	0.8
478.93506	0.6
487.34543	0.7
501.35901	1.2
511.37637	1.0
513.35907	2.4
515.38586	1.3
533.39996	1.9
537.35736	0.7
551.40881	1.4
553.38525	0.8
555.36871	0.7
607.43585	100.0
608.43921	3.1
625.44574	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	822.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	17.0
57.07073	3.7
59.05002	4.8
61.02927	5.8
65.03941	3.9
67.05507	83.5
68.05825	2.1
69.03430	11.3
69.07072	28.5
69.86664	7.0
70.06594	4.9
71.05009	11.0
71.05319	1.8
72.03983	2.1
73.02894	3.3
79.05496	61.9
80.05836	2.4
81.03425	18.8
81.07057	100.0
82.07391	3.6
83.04976	11.4
83.08617	22.9
85.02895	7.9
85.06543	4.4
86.09689	7.5
87.04465	2.7
91.05482	58.9
93.07049	68.0
95.04974	25.5
95.08609	36.8
97.02905	11.0
97.06541	14.6
97.10166	8.5
99.00854	10.2
99.04449	4.4
99.08092	5.9
105.04502	2.6
105.07037	49.0
106.07347	2.4
107.04974	20.6
107.08592	39.7
109.02901	10.2
109.06512	12.3
109.10153	31.1
111.04446	5.7
111.08071	8.9
115.03994	2.3
115.05419	4.4
117.07013	19.9
119.04986	2.1
119.08583	45.3
121.06513	13.0
121.10136	25.1
123.04377	2.2
123.08069	12.7
123.11710	8.6
125.00000	4.0
125.09634	10.2
127.03893	4.3
128.06195	2.8
129.07014	7.9
131.08588	25.7
131.85059	1.8
132.08911	2.2
133.06493	3.9
133.10147	42.2
134.10451	2.6
135.08038	11.2
135.11693	14.0
136.48546	2.1
137.05937	3.3
137.09613	7.2
139.11151	2.7
143.08594	11.6
145.10115	23.3
147.08057	11.6
147.11705	14.5
147.14751	1.9
149.09639	15.9
149.13307	13.1
151.07581	2.3
151.11215	11.8
151.71329	2.6
155.08562	5.2
157.10089	6.0
159.08029	2.6
159.11705	18.5
161.09625	19.8
161.13257	5.3
163.11130	13.3
165.12825	2.3
169.10091	4.9
171.08078	2.5
171.11705	7.7
173.11703	3.4
173.13202	3.5
175.11171	5.3
177.12762	3.9
179.10680	8.9
181.10042	2.8
181.12239	3.1
183.11630	5.0
184.07326	18.7
185.09570	2.4
185.13264	2.2
187.11234	2.8
189.09052	7.1
189.11198	4.1
189.12720	2.5
193.12202	3.6
195.11949	2.9
195.13818	5.0
197.07323	2.7
197.11732	3.5
197.13330	3.0
205.12372	2.6
207.10208	3.5
207.13971	2.6
211.14769	2.1
223.13194	4.6
225.11147	6.4
227.12746	5.5
229.14233	12.0
229.19342	2.6
239.18124	2.0
243.12251	2.3
247.20557	2.1
248.48077	2.1
257.19073	4.5
267.15921	3.8
269.17468	19.5
273.18521	18.2
275.20105	31.5
276.20297	7.1
291.19559	25.2
293.20905	5.7
299.14890	77.0
347.22110	6.4
349.23752	19.3
350.24045	2.7
367.24805	6.7
383.19681	14.0
401.20892	28.5
413.21634	6.8
423.27298	5.5
445.29550	5.3
463.30606	20.0
495.32233	2.3
503.33444	2.1
521.34888	3.9
525.36139	4.6
543.36810	50.5
544.37054	6.5
561.37927	10.0
565.78613	2.5
571.32611	5.9
589.33679	15.0
607.30737	22.1
624.42932	5.6
625.31348	33.3
642.44287	4.5
687.40503	6.5
705.41168	4.4
711.53607	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	821.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.5
61.02922	3.5
65.03926	3.9
67.05509	69.8
68.05830	1.6
69.03438	12.6
69.06735	2.3
69.07076	31.8
70.06584	3.8
71.04982	9.6
71.52442	2.2
71.96120	1.5
73.02934	2.8
77.85519	1.6
79.05495	57.9
80.93771	1.6
81.03426	19.1
81.07060	76.6
82.07366	2.1
83.04996	18.7
83.07347	1.6
83.08158	2.2
83.08627	33.4
85.02900	12.6
85.06540	4.6
86.09692	3.4
87.04439	1.7
91.03960	2.9
91.05489	59.9
93.07050	62.4
94.07410	2.2
95.04979	51.4
95.08003	2.1
95.08614	39.2
97.02895	5.8
97.06536	20.2
97.10155	15.1
99.04433	7.5
99.08069	2.7
101.06048	1.7
103.05462	4.9
104.54823	1.7
105.03651	1.7
105.04525	1.7
105.07040	58.6
107.04964	18.4
107.08602	43.0
109.02876	4.6
109.06518	17.6
109.10164	25.5
111.04472	10.8
111.08099	10.7
115.05447	4.0
117.07021	21.3
119.04976	1.8
119.08591	41.7
121.06507	10.5
121.10146	26.9
123.04404	3.2
123.08096	11.8
123.11692	4.5
125.05982	2.0
125.09634	14.0
127.03912	4.8
129.05547	2.3
129.07004	9.1
131.08569	30.2
133.06506	4.4
133.10139	29.1
135.08075	11.8
135.11716	13.1
137.09624	5.9
139.11201	3.4
141.07021	4.0
143.08580	10.7
145.06444	2.7
145.10141	30.3
146.10614	1.7
147.08083	6.8
147.11690	18.8
149.09628	32.0
149.13260	6.3
150.10027	1.8
151.11171	5.2
153.09108	3.2
155.08540	3.6
157.10167	8.3
159.08075	2.7
159.11713	20.0
161.09644	6.2
161.13293	7.6
163.11183	26.1
165.12767	4.5
167.08501	1.8
169.10110	6.3
171.11700	8.9
173.04498	4.4
173.09558	4.2
173.11877	3.1
173.13243	9.2
175.11191	4.0
177.12772	4.6
181.10066	3.2
181.12234	2.9
183.11693	6.5
186.13795	1.7
187.11148	4.6
187.14810	3.5
189.11348	7.9
189.12679	2.2
191.10666	2.3
191.14339	2.4
193.10112	1.8
193.12248	2.8
197.13275	4.9
201.12747	2.6
205.12228	5.6
207.13739	2.0
213.16304	2.1
218.51888	1.5
219.14024	2.1
223.13277	22.3
227.12738	8.1
229.14325	9.7
229.19464	3.9
233.15300	2.2
239.17992	6.7
247.20621	5.5
257.18973	16.2
267.16098	3.4
269.17599	5.6
273.18594	2.5
275.20078	100.0
276.20377	3.2
291.19632	5.5
293.21118	34.7
331.22824	4.1
349.23749	63.6
350.23822	2.3
365.22925	2.2
367.24829	39.8
383.22308	2.7
401.23019	2.4
413.21454	3.9
437.25400	2.1
480.30539	3.6
493.28223	1.9
503.33591	4.0
511.28659	2.3
521.34515	9.5
543.36633	7.2
561.37909	14.3
590.27673	1.9
623.43042	29.0
624.43640	1.9
641.44348	37.1
641.54541	1.6
659.45129	10.4
667.06110	1.8
687.40814	2.8
705.42224	4.4
767.47729	2.7
803.48779	4.7
821.42523	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	821.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.4
57.07072	4.4
58.45132	1.4
61.02938	7.9
63.23461	1.3
65.03934	5.4
67.05508	87.2
67.78868	1.3
69.03441	9.9
69.07075	44.2
70.69210	2.0
70.69563	4.4
71.04980	9.1
73.02920	3.3
77.03924	1.7
79.05497	68.1
81.03425	14.9
81.07061	95.5
82.07375	1.7
83.04987	12.1
83.08625	29.9
85.02908	9.8
85.06550	5.8
87.04491	1.8
91.03941	4.7
91.05488	60.6
92.05796	1.5
93.06483	3.2
93.07050	54.3
95.04977	28.7
95.08614	54.7
96.58953	1.6
97.02902	9.5
97.06528	18.2
97.10172	20.8
99.04483	3.1
99.08091	2.8
101.06005	1.8
103.05444	3.0
105.04520	2.7
105.07037	59.9
106.07386	1.7
106.29047	1.6
107.04958	13.4
107.08598	42.1
109.06532	18.8
109.10165	32.1
111.04452	5.5
111.08102	8.4
115.05470	5.2
116.15121	1.5
117.07022	27.3
119.08583	48.5
121.06496	7.2
121.10152	24.1
123.08060	15.3
123.11699	7.0
125.09646	22.4
127.03904	2.9
128.06223	5.4
129.07021	18.0
130.07780	2.9
131.04947	1.9
131.08571	40.2
133.06485	5.3
133.10149	32.9
135.08067	8.4
135.11703	14.8
137.09630	6.9
139.11191	3.9
141.07002	8.3
142.07787	2.7
143.08569	30.1
145.06500	4.8
145.10135	38.1
147.08035	8.7
147.11697	21.4
149.09636	12.9
149.13254	6.4
151.11203	3.0
153.06975	2.2
153.09085	3.0
153.12729	3.3
155.08574	19.2
155.10641	1.6
156.09274	2.2
157.06512	3.7
157.10144	22.6
159.08038	5.7
159.11696	22.1
161.09631	6.7
161.13272	12.6
163.11209	12.9
163.14799	2.2
165.06970	2.3
165.12817	2.6
166.07784	1.5
167.08517	8.0
168.09361	2.1
169.10143	20.1
171.08028	3.4
171.10184	3.9
171.11667	23.7
173.09642	4.5
173.11858	2.8
173.13272	12.7
175.11157	6.4
175.14832	2.9
177.12723	4.7
179.08546	3.3
179.14230	2.0
181.10086	8.7
181.12230	3.3
182.10857	1.6
183.11720	17.6
184.12473	1.6
185.09538	2.3
185.11781	2.4
185.13257	12.3
187.11147	3.8
187.14865	6.7
189.11205	7.5
189.12753	3.4
191.08624	2.1
191.10681	1.9
191.14250	2.2
193.10141	4.0
193.12128	1.7
194.10861	1.9
195.11737	10.3
195.13356	1.8
197.09645	2.1
197.13281	12.6
199.11261	2.4
199.13177	1.7
199.14821	9.0
201.12769	2.9
203.14333	1.8
205.12085	1.7
205.15843	2.2
206.10945	1.9
207.11668	6.3
207.13585	1.9
209.13293	8.1
210.14079	1.8
211.11139	3.0
211.14847	6.1
213.12738	2.5
213.16399	3.4
215.14470	2.4
215.18062	2.8
221.13249	3.4
223.13274	5.8
223.14856	5.5
225.12857	1.6
225.16380	3.1
227.12621	8.6
227.14723	1.7
227.17946	2.4
229.14264	11.1
229.19443	3.5
231.66751	1.5
234.13992	2.0
235.14787	4.3
237.16467	3.7
239.17906	4.9
241.19511	4.4
245.13641	1.8
247.20477	1.9
248.15547	1.7
251.17886	2.3
253.15738	2.1
253.19597	2.1
255.17441	2.6
257.19040	6.4
259.20532	10.8
267.15775	1.7
268.16324	2.4
271.20535	3.4
273.18518	5.8
273.22095	2.3
275.17361	2.2
275.20111	22.7
277.21725	3.3
283.20490	2.7
285.22055	3.3
291.19565	12.6
293.21213	10.4
297.22058	2.2
309.22195	2.3
313.21515	2.1
315.23236	2.5
325.21475	2.4
327.22998	2.3
329.20987	2.1
333.24194	11.8
347.22339	3.7
349.23822	14.7
361.25085	1.9
365.23105	5.0
367.25061	9.4
377.28308	5.7
383.24176	2.0
395.29410	6.2
397.30994	2.7
403.30020	2.0
433.30972	2.4
439.31625	2.1
445.72623	1.8
469.33029	3.0
473.32236	1.8
490.56091	1.8
495.34546	3.5
499.34067	6.7
513.36029	10.6
515.38141	3.1
517.35266	26.2
525.35797	5.8
529.35663	9.2
531.37891	9.2
533.35162	2.0
541.35248	1.8
543.36804	9.0
549.39307	3.6
555.36945	1.9
559.36041	2.2
560.36517	2.8
567.40796	7.2
571.36310	3.3
587.40552	1.6
595.42731	2.3
599.16132	1.9
605.41956	15.4
623.43073	73.4
641.44159	100.0
642.44556	4.4
659.45197	24.3
785.46838	2.3
803.49255	1.8
821.46503	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	820.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	20.8
69.03452	6.0
71.07040	11.7
71.08510	6.5
79.05492	15.9
81.07043	24.7
91.05485	14.2
93.07035	21.5
95.08591	13.6
106.26112	7.6
109.10175	8.0
135.11705	10.8
149.13327	8.5
149.65179	6.2
161.13228	9.0
168.41829	6.1
179.61215	6.5
184.07350	29.9
195.11755	6.6
204.63994	7.4
243.20883	7.8
259.20575	8.5
261.22159	16.1
335.25809	100.0
595.46948	19.1
613.47791	14.6
665.70972	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	821.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	14.2
57.07067	3.2
60.08168	6.4
61.02924	2.0
63.28856	0.9
64.36924	1.0
65.03932	5.1
67.05515	46.5
69.03439	2.5
69.07082	10.3
71.01347	2.0
71.05009	1.8
71.07363	4.1
71.08633	2.5
78.66486	0.9
78.83727	1.1
79.05502	33.4
80.05845	1.7
80.06282	1.7
81.03430	7.6
81.07062	37.7
83.04993	10.3
83.08623	6.7
85.02917	2.4
85.06551	3.5
86.09715	34.0
87.10053	4.8
91.05487	37.0
93.07049	37.5
95.04977	21.6
95.08617	29.2
97.02898	3.7
97.06568	5.1
97.10161	2.4
98.07350	1.3
98.62737	1.1
98.98471	3.9
103.05487	1.7
103.72547	1.0
104.10738	1.7
105.04523	1.1
105.07046	28.3
107.04965	24.5
107.08602	17.1
108.05737	1.7
109.06528	12.7
109.10178	9.3
111.04459	3.2
111.08057	2.6
112.05219	2.0
113.06007	1.5
115.05503	1.8
117.07038	13.7
119.04960	2.4
119.08591	15.0
121.06554	7.7
121.10155	9.1
122.07298	8.3
123.04456	2.7
123.08080	4.8
123.11716	2.6
125.00008	20.9
125.05958	2.9
128.06218	4.2
129.07013	7.0
131.04924	2.3
131.08583	11.9
133.06531	9.9
133.10138	8.6
135.08086	8.7
135.11693	7.4
137.09644	2.7
141.07010	2.1
142.07785	1.3
143.08580	6.5
145.06491	5.1
145.10141	9.3
147.08061	10.5
147.11684	5.7
148.08803	1.5
149.09630	3.1
149.13251	3.2
151.07581	1.7
151.11150	1.6
155.08534	2.2
157.10149	2.6
159.08040	3.3
159.11659	6.8
161.09601	11.6
161.13266	3.1
162.10408	2.1
163.07561	2.0
163.11189	3.3
169.10150	1.9
169.92014	1.0
171.11711	4.2
173.09628	2.7
173.13321	3.4
175.11206	2.7
177.09077	1.4
177.12770	2.4
179.14343	1.3
184.07362	100.0
185.07732	13.1
185.09470	2.2
185.13286	2.2
187.11166	2.5
187.14868	3.2
189.12726	2.5
197.13223	1.2
203.14371	1.6
205.12201	1.8
205.15964	1.2
213.12805	1.1
215.14445	2.3
231.13644	1.6
233.15408	7.6
241.14423	1.2
243.17488	1.5
261.22070	1.7
271.16965	4.7
273.18564	4.9
275.20071	2.9
289.18048	11.3
290.18787	9.3
290.85736	1.3
291.19641	3.2
307.19214	3.9
313.27359	2.7
314.27649	3.0
325.20248	2.6
335.19290	1.6
335.25842	42.0
336.26306	1.8
345.20453	1.3
349.23746	2.4
363.21689	4.9
381.22760	15.7
393.82983	1.1
508.40692	1.6
513.39325	1.5
567.40234	3.8
583.39404	1.6
587.46899	1.4
588.46613	1.9
595.39825	4.3
606.48596	2.2
607.43567	1.6
623.43024	9.7
624.43396	2.8
625.43988	1.6
641.44202	52.0
642.44275	1.8
662.48535	1.3
705.47894	2.2
708.87982	1.4
821.56787	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.7
60.08163	6.2
60.29474	1.0
63.65965	1.0
65.03938	1.9
67.05508	27.8
69.07076	6.6
70.74326	1.1
71.04983	1.6
71.07355	2.7
71.52496	1.2
79.05082	1.2
79.05503	20.6
81.07063	23.3
83.04982	12.0
83.08601	3.8
85.02879	1.0
85.06542	1.6
86.09709	29.1
90.67290	1.0
91.05484	16.6
93.07048	21.9
95.04952	4.2
95.05512	1.1
95.08618	17.5
96.10124	1.1
97.06509	2.7
98.98473	3.2
99.04436	1.6
103.05463	1.1
104.10730	2.6
105.07042	12.5
107.04958	12.2
107.08599	10.6
108.05760	2.0
109.06531	6.5
109.10155	6.7
111.04465	6.2
113.05991	1.2
116.50813	1.0
117.07027	4.5
119.08593	9.7
121.06503	2.8
121.10181	7.7
123.08066	1.4
123.11693	2.6
125.00010	22.2
129.07016	3.0
131.08580	9.8
133.06464	2.5
133.10114	7.9
135.08046	3.4
135.11726	5.3
137.09602	1.4
141.06985	1.4
143.08542	2.9
145.06494	1.5
145.10143	6.2
147.08035	2.6
147.11682	4.3
155.08560	1.9
157.10115	2.2
159.08015	3.4
159.11667	3.8
161.09601	3.0
161.13245	1.6
163.07527	1.8
163.11156	3.6
169.10129	1.4
171.11638	2.0
173.09628	1.5
173.13327	2.2
177.12781	2.1
183.11638	1.5
184.07346	100.0
185.07703	3.4
185.13185	1.1
185.34508	1.3
186.07747	1.4
187.11125	2.0
187.14796	3.0
189.12813	1.5
205.15860	1.7
215.14256	2.2
233.15373	4.1
243.17453	1.9
247.05130	1.1
261.18567	2.5
271.16888	3.1
275.20047	3.7
289.18018	15.2
291.19659	1.3
304.73758	1.0
335.25803	42.0
349.23691	3.0
363.21686	22.0
413.58334	1.2
499.18503	1.0
623.43085	90.0
624.43164	2.7
704.48822	1.7
770.52124	1.8
820.57056	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	820.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
57.07071	0.7
65.03912	1.6
67.05510	18.6
68.99757	0.4
69.03410	0.8
69.07070	18.6
69.59784	1.9
71.04967	1.9
73.06530	0.7
75.66075	0.4
77.92323	0.4
79.05498	16.1
80.05821	0.8
81.03422	4.7
81.07059	30.1
82.07354	0.5
83.04990	4.2
83.08620	4.1
85.06522	1.1
86.09698	2.3
91.05482	30.1
93.07050	19.2
95.01333	5.1
95.04969	5.6
95.08608	18.0
97.02882	0.7
97.06534	33.5
97.10139	1.3
98.98510	0.4
99.08050	1.0
102.72239	0.4
103.05441	1.6
105.07034	41.7
106.07322	0.6
107.04958	11.5
107.08598	9.7
109.06520	3.9
109.10158	6.1
111.04426	0.6
111.08050	1.6
113.09650	0.7
117.06247	0.7
117.07023	9.7
119.08585	24.2
121.06509	2.5
121.10146	5.4
123.04422	1.4
123.08058	2.6
123.11691	1.2
124.99999	1.3
125.05991	0.4
125.09647	2.0
128.06256	0.8
129.07013	2.4
130.07741	0.5
131.08578	14.0
133.06500	1.0
133.10135	23.2
134.10466	0.5
135.08073	2.3
135.11690	5.4
137.09631	2.2
137.33496	0.4
139.07530	1.9
139.11237	0.5
141.06992	1.5
143.08539	2.2
145.06451	1.8
145.10127	9.8
147.08015	1.0
147.11697	8.5
149.09644	6.0
149.13263	2.7
151.11157	1.6
155.08514	1.2
157.10143	2.2
159.11687	6.3
160.12071	0.4
161.09608	0.8
161.13280	4.1
163.11189	4.8
165.09059	1.9
165.12686	0.5
169.10141	1.2
171.11711	1.3
173.09656	0.7
173.13307	2.0
174.13498	0.4
175.11169	0.9
175.14850	0.5
177.12773	2.3
179.14325	9.2
182.31302	0.4
183.11700	1.1
184.07333	7.9
185.13246	0.9
187.11209	2.0
189.12747	0.4
195.13707	0.5
197.13287	1.2
201.12865	0.6
203.14224	0.6
204.61740	0.5
205.12251	0.7
205.15858	0.5
207.13904	0.6
215.14037	0.4
215.17912	0.8
217.68538	0.5
219.13808	0.6
219.17438	3.1
223.13377	0.5
229.19589	1.2
236.72032	0.4
239.18010	1.3
247.18170	0.4
247.20615	1.8
257.18994	3.7
273.18390	0.5
275.20074	57.9
276.20480	1.5
279.15909	0.8
293.21179	3.8
319.07037	0.4
331.22754	0.9
335.25699	0.8
336.26068	0.5
349.23752	39.9
350.24078	1.0
367.25052	0.7
445.29843	0.7
527.37183	0.7
542.34241	0.4
545.37939	0.6
623.43066	100.0
624.43573	3.6
641.44141	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.6
57.07070	2.6
58.74364	1.2
61.02913	5.1
65.03956	3.5
67.05510	44.7
68.99809	3.4
69.03093	2.2
69.03436	32.8
69.07072	20.0
69.28168	2.9
69.28568	11.8
70.06590	8.2
71.04982	4.3
72.08131	2.9
73.02907	5.8
79.05073	2.2
79.05497	31.9
81.03422	32.1
81.07060	100.0
82.07387	1.5
83.04957	3.2
83.08628	7.4
84.08135	5.1
85.02911	66.7
86.09735	6.6
87.00832	24.0
91.03941	2.5
91.05487	31.7
93.07048	71.3
95.04993	7.4
95.08613	79.4
97.02902	24.1
97.06519	2.1
97.10153	5.4
99.04465	14.2
100.70027	1.3
103.05442	2.1
105.01876	25.7
105.04539	2.5
105.07039	58.2
107.04952	2.1
107.08604	82.4
108.08885	1.4
109.02885	38.0
109.06500	3.2
109.10166	69.3
111.08141	1.4
111.11727	3.1
115.03948	3.1
115.05437	1.6
117.01856	4.9
117.07004	6.1
119.08588	59.0
120.08096	2.3
121.10154	59.2
121.67865	1.4
122.54781	1.2
123.08110	3.0
123.11710	23.8
127.03927	60.0
129.01833	3.9
129.06958	1.7
129.10240	4.9
130.07787	1.6
131.08565	17.8
133.10143	29.1
135.11702	25.6
136.07593	2.5
137.13249	4.9
143.08521	2.7
145.04980	22.7
145.10133	23.5
147.02907	3.2
147.11691	35.1
149.12064	1.9
149.13274	38.3
157.10127	3.1
159.02910	18.5
159.10468	2.7
159.11702	33.6
161.13268	34.3
163.11162	2.4
163.14835	33.1
169.10187	1.7
171.11743	2.4
173.13268	15.7
175.14838	24.8
177.16426	16.1
184.07295	2.1
187.14871	9.0
189.03964	2.8
189.16360	14.0
191.17909	4.9
199.14735	1.6
201.16405	17.1
203.17947	14.9
213.03949	8.9
213.16386	2.0
215.17966	35.2
227.12817	1.5
229.19542	4.5
231.05025	20.9
239.07962	1.4
243.21101	2.6
246.08199	1.7
249.06062	4.7
271.24240	61.6
271.93704	1.4
273.06046	4.7
284.09888	1.8
289.25314	8.1
313.25629	1.6
315.07199	1.4
339.06967	1.7
357.08215	1.8
409.27148	1.3
461.09268	2.8
479.10156	1.5
554.32928	4.9
726.57373	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	819.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	16.5
57.07056	3.3
59.05001	4.5
61.02922	4.8
65.03934	7.9
65.30495	2.0
67.05507	97.3
68.19710	1.7
69.03425	22.6
69.07072	44.4
70.06574	2.7
70.76948	3.3
70.77274	3.1
71.01368	2.6
71.05002	13.1
71.08617	4.0
79.05013	3.0
79.05495	84.0
81.03415	48.5
81.07059	100.0
82.67130	2.0
83.04980	29.7
83.08620	50.6
85.02912	14.6
85.06544	6.1
86.09694	3.5
91.03979	2.2
91.05485	73.1
93.07047	67.6
94.07370	2.3
95.04967	92.0
95.08607	54.4
97.02901	17.5
97.06533	23.2
97.10166	28.5
99.04456	16.5
99.08094	5.1
103.05502	3.2
105.04558	2.0
105.07036	69.6
107.04280	4.0
107.04953	29.8
107.08602	59.5
109.02869	9.8
109.06530	22.8
109.10164	37.0
110.10504	2.6
111.04451	25.0
111.08076	17.8
115.05482	6.6
117.07022	32.0
119.04977	4.5
119.08588	52.6
121.06496	21.2
121.10144	31.9
123.04423	5.9
123.08060	26.3
123.11730	6.3
125.05992	2.4
125.09632	27.6
127.03935	12.5
128.06229	6.5
129.05478	2.3
129.07001	20.8
130.07771	2.9
131.04948	4.4
131.08571	36.2
133.06514	12.3
133.10141	32.7
135.04401	3.2
135.08066	19.1
135.11678	17.4
137.05942	5.4
137.09595	13.0
139.07542	2.7
139.11171	4.5
141.06993	5.1
141.09209	2.5
142.07756	4.0
143.08556	17.9
144.09328	2.1
145.06508	9.5
145.10121	44.6
147.04509	2.3
147.08044	20.2
147.11696	20.2
149.06050	3.9
149.09613	37.0
149.13252	4.5
150.09952	2.5
151.11157	5.3
153.07014	3.0
153.09076	4.8
153.12769	5.7
154.07663	2.7
155.08554	8.7
157.06526	3.6
157.10144	17.1
159.08051	8.2
159.11693	21.9
161.05986	3.7
161.09633	19.4
161.13249	7.4
163.03903	2.7
163.07574	3.0
163.11188	46.0
164.42325	2.3
165.09137	8.0
165.12721	5.9
167.08594	4.6
167.10695	2.8
169.10179	9.3
171.08101	4.3
171.10272	3.9
171.11699	10.5
173.04489	2.4
173.09567	11.6
173.11774	5.5
173.13283	8.4
175.11128	13.3
177.09154	3.5
177.12785	7.8
179.10655	2.4
181.10068	2.3
181.12257	7.5
183.11710	6.0
183.13777	2.1
185.09608	2.2
185.13232	6.4
187.11165	8.8
187.14775	2.6
189.09483	3.2
189.11235	20.5
189.12750	4.5
191.10658	7.4
191.14285	3.2
193.12225	6.9
195.08012	2.5
195.11630	3.0
197.09543	3.2
197.13322	3.2
199.11198	5.3
199.14946	2.5
201.09230	2.5
201.12808	4.8
205.12241	7.4
207.13855	4.1
209.13318	3.5
213.12706	2.4
215.14424	3.9
219.13847	2.5
221.13275	2.4
223.13237	41.5
223.15147	3.4
227.12773	18.6
227.17957	4.6
229.12317	3.9
229.14323	8.0
229.19621	2.3
230.14653	2.7
231.10072	2.5
231.17297	1.9
239.18033	5.7
245.13789	2.5
245.19026	5.1
247.13254	2.3
247.20667	3.5
249.14835	2.8
255.17554	4.8
257.18936	11.7
267.12210	6.5
273.18484	51.2
275.20059	74.8
276.20425	3.2
283.15375	2.2
285.18552	2.7
291.19547	63.4
293.21130	35.6
295.91348	2.1
309.20660	5.0
315.19565	3.9
317.21198	2.3
329.21097	4.0
331.22668	2.4
339.19366	4.2
339.25912	2.0
341.21155	2.8
345.20615	2.3
347.22214	21.1
349.23721	33.9
350.23996	3.0
357.20764	5.8
363.19394	2.3
365.23196	26.9
367.24838	37.7
368.24872	3.1
381.20462	2.9
389.23233	2.3
399.21735	6.1
404.47034	2.0
417.22626	5.0
419.87036	2.3
431.24106	3.4
433.92679	2.4
435.23624	7.4
459.27417	2.6
473.25122	3.2
483.80206	2.0
491.26224	3.1
504.33865	2.7
509.27423	8.0
519.32794	2.5
521.34546	4.4
522.35132	15.1
529.35663	4.1
541.35474	4.5
565.38837	2.4
567.36969	3.2
621.41260	14.8
639.42542	53.1
657.43475	31.8
681.43231	3.2
705.43921	2.3
711.43030	3.0
723.44568	2.8
747.43976	3.5
753.45660	6.8
765.45685	3.8
783.46368	7.0
801.47845	14.9
819.49884	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	819.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	27.2
57.07082	3.6
59.05009	3.2
61.02930	3.4
65.03945	5.7
67.05508	96.4
69.03423	9.5
69.07073	26.6
69.15254	11.4
69.15684	4.6
71.04443	1.8
71.05022	7.5
73.02899	3.3
79.05496	84.0
81.03424	18.4
81.07059	100.0
83.04993	18.6
83.08616	16.7
84.02108	1.8
85.02908	7.7
85.06545	7.0
89.09615	1.4
91.05486	96.4
93.07049	80.8
94.04190	1.7
95.01338	2.8
95.04974	55.4
95.08611	50.1
97.02884	7.8
97.06535	19.0
97.10156	7.4
99.04492	2.5
99.08117	2.8
103.05471	5.6
104.06276	1.9
105.04543	3.5
105.07034	82.8
107.04958	45.3
107.08603	42.2
108.05717	1.9
109.02898	3.0
109.05802	2.5
109.06528	46.8
109.07269	2.9
109.10151	23.8
111.04446	5.4
111.08073	8.5
112.05255	2.4
113.06019	12.4
113.09654	1.6
115.05473	5.2
116.06145	1.9
116.64288	1.3
117.07026	38.6
119.04929	3.1
119.08588	59.3
120.05679	2.1
121.06512	12.6
121.10147	22.3
122.07304	9.6
123.04424	6.9
123.08067	12.6
123.11722	4.6
125.06016	4.3
125.09634	8.1
127.03961	2.1
128.06194	7.5
129.05478	3.5
129.07002	24.0
130.07843	1.9
131.04945	4.0
131.08565	47.2
131.09544	3.0
133.06508	14.1
133.10136	41.7
135.08060	27.3
135.11693	19.2
137.05962	2.0
137.09613	10.3
139.11133	2.1
141.06992	6.4
142.07765	3.5
143.08569	19.2
145.06519	9.0
145.10127	35.2
147.08044	23.3
147.11702	22.3
149.09642	12.5
149.13272	8.0
151.07571	2.2
151.11212	3.2
155.08490	8.0
156.09309	2.3
157.06554	1.7
157.10136	17.5
159.08075	8.3
159.11685	22.9
161.09630	19.5
161.13242	14.0
162.10388	2.0
163.07541	2.0
163.11186	12.6
163.14809	2.1
165.09129	3.7
165.12813	2.7
167.08620	4.3
169.10168	10.2
171.11699	15.8
173.04442	2.1
173.09639	3.8
173.11861	2.2
173.13257	15.5
175.11229	6.3
175.14777	8.3
177.12790	6.7
179.14378	2.4
181.10164	4.6
181.12219	2.9
183.11734	7.7
184.07349	1.8
185.09645	3.6
185.13235	8.9
187.11183	4.9
187.14836	4.9
189.11165	2.5
189.12732	3.4
191.10715	2.3
191.14328	2.9
193.10110	2.6
193.12279	3.5
195.11659	5.2
197.13318	4.2
199.11208	3.4
199.14845	6.6
201.12827	3.3
201.16414	1.9
203.14423	3.1
205.12180	3.0
209.13316	3.3
211.14882	3.4
213.12820	1.7
215.14317	4.6
215.17903	1.8
217.15869	4.6
221.15439	1.9
223.14886	2.9
225.16504	2.2
227.12689	4.1
227.17863	2.6
231.21042	2.0
233.15413	8.3
239.17975	3.3
241.19502	9.2
243.13892	2.2
245.19077	2.7
251.16530	1.8
255.17461	3.4
257.19040	6.5
259.20596	14.6
261.14877	1.6
273.18500	29.4
275.20050	28.7
279.15875	7.5
287.19757	2.4
289.17947	3.8
290.18774	5.9
291.19562	42.1
293.21375	2.0
307.18954	3.6
313.21719	1.9
315.23080	5.5
331.22623	2.5
333.24289	39.7
335.18411	2.4
347.22437	9.4
349.23868	14.8
365.23267	13.3
379.26083	2.0
381.22659	19.3
381.26556	1.9
513.35858	2.7
526.23328	1.6
529.36316	3.1
541.35199	1.9
547.37482	1.8
559.36389	6.9
565.39154	2.7
581.38239	4.7
583.39050	2.0
593.37775	3.9
605.41522	2.7
607.43286	2.0
621.41412	16.3
623.42664	6.2
639.42645	62.4
657.43750	16.0
703.40320	2.3
783.46405	2.2
819.48218	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	819.489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	13.0
57.07079	4.1
59.04979	2.4
61.02917	4.2
62.14234	1.6
65.03927	6.4
67.05508	85.6
69.03433	18.5
69.07073	37.3
71.01344	2.3
71.05020	12.6
73.02907	2.6
77.03928	2.2
79.05495	74.1
81.03423	43.5
81.07060	100.0
83.04990	23.3
83.08621	53.3
85.02904	14.0
85.06528	5.1
87.04459	1.6
91.05482	74.2
92.09757	1.5
93.07047	73.1
94.07354	1.9
95.01350	1.7
95.04972	86.7
95.08614	51.4
97.02883	16.9
97.06533	19.1
97.10179	30.4
98.20742	5.0
99.04449	10.8
99.08080	5.3
103.05444	2.7
105.04526	2.8
105.07037	59.1
107.04959	26.7
107.07876	2.8
107.08601	51.4
109.02874	12.9
109.06522	23.1
109.10160	28.5
111.04453	19.0
111.08076	12.7
113.09612	2.4
115.05463	6.0
117.07019	29.2
118.19410	1.7
119.04929	2.5
119.08590	52.2
120.05750	1.8
121.06525	18.9
121.09337	2.3
121.10153	28.9
123.04396	3.8
123.08058	24.4
123.11687	4.7
125.06011	2.8
125.08758	2.3
125.09627	28.0
127.03922	11.4
128.06239	4.4
129.07008	19.8
130.07756	3.7
131.04872	1.9
131.08577	33.6
133.06520	10.6
133.10132	32.9
135.08058	17.2
135.11694	17.2
137.05983	3.1
137.09610	12.5
139.11171	4.9
141.06987	5.9
141.09111	1.8
142.07768	5.0
143.08562	14.0
145.06499	9.5
145.10124	38.5
147.04433	2.5
147.08061	23.7
147.11690	18.2
149.05997	2.1
149.09630	33.2
149.13258	4.2
151.11203	3.3
153.09102	4.7
153.12720	6.2
155.08556	9.6
156.09351	2.4
157.06476	5.1
157.10181	14.7
159.08084	9.0
159.11697	19.4
161.05972	3.1
161.09650	21.0
161.13272	5.3
163.07596	2.6
163.09856	3.1
163.11180	45.3
163.12543	2.5
165.09148	7.5
165.12759	6.3
167.08583	2.1
169.06406	2.2
169.10156	8.7
169.78036	1.9
171.08003	4.7
171.10248	4.0
171.11681	11.7
173.04414	1.8
173.09639	8.4
173.11838	3.0
173.13266	7.4
175.11128	8.9
177.09074	3.2
177.12738	5.4
179.08507	2.1
179.10643	2.3
181.10205	2.8
181.12202	5.3
182.93521	1.7
183.07913	1.7
183.11703	6.9
185.09541	3.8
185.13245	5.5
187.07550	2.7
187.11220	9.2
189.09261	2.8
189.11217	18.6
189.12761	6.3
189.38509	1.6
191.10619	8.6
191.14420	2.0
193.10596	1.9
193.12234	9.8
195.11720	3.4
197.09554	1.9
197.13191	4.1
199.07855	1.7
199.11234	4.5
201.12730	3.8
203.10605	3.7
205.12238	6.5
207.13710	2.9
209.13307	3.2
211.11194	2.3
211.14926	2.3
213.12762	3.4
213.16388	2.2
215.14478	2.4
217.12128	2.3
219.10150	2.8
219.13820	3.9
223.11162	3.4
223.13272	44.2
227.10637	1.9
227.12688	21.9
227.18011	2.5
229.12311	1.8
229.14247	3.7
229.19418	3.6
231.17487	2.0
237.09099	1.7
237.12735	3.8
239.17938	5.1
245.13647	2.7
245.18991	7.2
247.13307	3.9
247.20456	3.8
251.02586	1.8
255.17450	6.4
257.19037	9.9
261.14999	2.0
267.12201	3.9
271.16888	3.2
273.15436	3.0
273.18500	50.6
275.20068	70.9
281.17587	3.5
282.17365	1.9
283.15311	4.4
287.19858	2.0
289.18042	2.1
291.19586	62.2
293.21146	36.1
297.18588	2.7
309.20737	3.5
313.18048	2.1
314.61533	2.0
315.19675	2.2
323.20132	2.2
329.21002	6.1
339.19473	4.1
341.21402	2.6
347.22150	26.4
349.23788	26.9
353.21042	3.1
357.20605	9.8
365.23187	25.4
367.24875	38.6
369.20370	2.4
381.20441	4.0
383.22531	2.7
399.21533	5.5
407.24576	1.9
417.22809	4.3
431.24005	3.1
435.23740	6.0
473.25107	3.7
476.31039	2.6
491.26297	3.9
509.27399	6.6
511.28540	2.3
513.31854	3.3
527.33362	1.9
529.35596	4.5
541.34943	6.6
547.37152	2.7
557.33954	1.9
559.36108	3.9
565.38672	1.7
585.38037	2.3
621.41553	16.9
639.42529	58.2
657.33960	2.2
657.43726	32.9
681.42981	2.7
705.43066	3.5
723.43945	4.1
735.44104	3.1
747.44482	3.1
753.45111	7.1
765.45282	6.5
783.46063	6.2
801.47827	15.0
818.68903	1.8
819.48883	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	818.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	30.5
59.04999	1.3
60.08167	0.7
62.03283	0.5
67.05491	1.3
69.07072	5.7
69.18552	6.1
71.08637	30.0
73.02897	1.2
73.06564	10.0
75.60876	0.5
79.05512	0.8
81.07059	1.2
83.08628	5.3
84.99841	0.6
85.10191	18.3
86.09704	3.2
87.04472	12.7
89.06038	100.0
91.05546	0.7
91.07618	1.3
93.07062	0.8
95.08612	0.7
97.10171	5.8
99.11745	2.5
107.07097	1.6
111.11739	3.8
113.06050	0.6
113.13296	2.0
115.07571	1.3
117.07072	0.6
117.09142	11.0
119.08599	0.7
123.07964	0.5
125.00008	2.5
125.13291	2.4
127.14836	1.4
130.08653	2.6
131.07050	3.0
132.41730	0.6
133.08614	52.7
135.10159	0.7
141.16397	1.4
155.17957	0.8
161.11731	3.6
175.09612	2.8
177.11232	24.8
179.12886	0.9
184.07350	9.5
211.24237	2.3
219.12260	0.8
221.13881	5.5
239.15007	0.7
255.26814	2.7
265.16550	2.1
283.17548	1.4
299.29483	7.8
309.19241	1.8
327.19894	0.8
343.32104	6.1
353.21826	1.2
591.35907	1.3
661.93481	0.6
801.59503	3.1
818.62866	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	819.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	13.5
57.07084	3.2
59.04997	3.8
61.02927	5.4
65.03951	5.1
67.05508	80.0
69.03432	15.7
69.07072	34.0
69.64895	8.5
70.06597	3.4
71.05013	8.9
73.02919	3.7
79.05498	67.9
81.02976	3.4
81.03420	29.9
81.07062	100.0
83.04983	17.9
83.08630	21.7
84.08160	3.5
85.02909	13.6
85.06548	3.9
86.09715	3.9
91.05488	63.0
93.07048	58.2
95.04980	23.0
95.08609	39.7
97.02898	13.6
97.06539	18.8
97.10150	16.6
99.04472	4.7
99.08096	3.4
103.05446	3.9
105.07037	56.7
107.04961	18.9
107.08604	40.8
109.02899	9.3
109.06532	18.3
109.10167	25.8
111.04437	9.8
111.08102	9.9
113.06001	2.3
115.05456	5.2
117.07034	26.6
119.05035	1.9
119.08585	44.2
121.06499	14.3
121.10152	23.4
123.04446	3.7
123.08068	19.4
123.11720	7.8
125.06010	3.5
125.09637	16.4
127.03944	7.8
128.06236	3.8
129.07001	11.8
130.07811	2.5
131.04962	2.7
131.08580	29.6
133.06490	8.8
133.10149	29.9
135.04428	2.1
135.08023	11.4
135.11699	10.4
137.05965	2.1
137.09615	9.9
139.11238	2.0
141.07037	6.2
142.07799	2.1
143.08582	12.8
144.09094	2.0
145.06500	6.9
145.10130	27.9
147.08055	12.9
147.11713	20.9
149.06027	2.5
149.09660	12.3
149.13286	5.2
151.07486	1.6
151.11156	3.5
153.09097	3.9
153.12769	4.2
155.08583	6.0
157.06541	2.2
157.10161	13.5
159.08072	5.9
159.11691	17.6
161.09621	14.2
161.13249	5.9
163.11185	20.1
165.09152	4.2
165.12785	4.7
169.10115	9.5
171.11716	8.4
173.04587	3.2
173.05960	1.9
173.09633	6.5
173.11806	3.6
173.13271	8.9
175.11191	8.1
177.12805	4.1
179.10698	3.4
181.10136	3.5
181.12294	5.7
183.11703	7.1
185.09575	3.5
185.13269	5.9
187.11246	3.5
187.14883	2.1
189.09213	2.0
189.11217	8.7
189.12706	4.1
191.10698	5.0
193.10422	2.5
193.12274	6.4
195.11708	2.6
195.13919	2.0
197.13278	3.4
199.14897	3.3
203.10674	3.7
205.12193	3.0
207.13811	2.1
213.12848	2.4
213.16463	2.4
215.14311	2.0
223.13239	4.7
227.12788	16.4
227.17970	2.6
229.12347	2.1
229.14336	4.3
229.19534	2.9
231.41443	2.2
239.18019	5.7
245.19067	4.7
247.20639	2.1
255.17451	7.8
257.19034	14.0
263.20193	2.3
267.15753	2.5
269.17459	2.3
273.18515	39.6
275.20068	47.4
291.19565	45.9
293.21085	8.1
309.20544	4.8
331.22726	3.9
338.68042	1.8
347.22324	14.7
349.23721	27.2
357.20572	2.9
359.22568	1.9
365.23276	30.4
367.24884	12.2
399.21460	2.7
493.27545	2.1
509.27753	2.9
515.33826	2.0
519.32745	4.9
527.33844	2.5
529.35486	2.2
535.33008	2.5
541.35004	3.1
559.36273	10.3
621.41626	14.5
623.35608	2.0
630.94196	1.9
639.42584	47.5
640.42975	2.3
657.43732	21.9
783.46820	3.4
801.47400	6.2
819.48230	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	817.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.1
57.07075	2.1
59.04994	2.3
61.02917	4.2
62.65007	1.5
65.03939	5.8
66.04752	1.3
67.05508	65.2
69.03088	1.8
69.03436	21.1
69.06735	2.6
69.07074	32.3
71.01357	1.8
71.04999	9.9
73.02930	2.9
77.08121	1.4
79.05495	69.8
81.02936	1.8
81.03419	44.0
81.07059	100.0
82.91319	1.5
83.04991	19.4
83.08623	22.8
85.02904	13.7
85.06540	4.3
91.05486	48.4
93.07046	48.8
94.04146	1.8
95.01344	1.4
95.04971	31.1
95.08613	36.5
97.02899	14.7
97.06522	17.8
97.10174	29.1
99.04461	8.4
99.08093	3.6
101.02365	2.4
103.05457	2.5
105.03384	1.9
105.04536	1.9
105.07037	42.1
107.04284	1.9
107.04963	17.3
107.08588	30.2
109.02883	11.7
109.06520	26.7
109.10159	18.3
111.04449	17.1
111.08063	9.0
115.05423	6.4
117.07019	22.9
119.04932	4.0
119.08586	40.3
121.06503	14.8
121.10158	19.7
123.04433	4.9
123.08073	26.5
123.11699	4.1
125.05982	3.1
125.09631	22.1
127.03890	9.7
128.06200	6.1
129.07001	16.5
130.07770	2.3
131.04910	4.4
131.08572	24.8
133.06506	12.0
133.10144	21.5
135.04393	1.9
135.08069	14.7
135.11707	14.7
137.05966	2.6
137.09634	11.0
139.07614	1.5
141.06987	6.6
141.09015	1.7
142.07761	3.3
143.08549	17.0
145.06487	12.0
145.10130	27.3
146.07251	1.7
147.04436	2.4
147.08055	19.9
147.11717	9.1
149.05983	2.2
149.09637	12.2
149.13306	2.4
151.07576	2.7
151.11185	3.7
153.09120	3.9
153.12703	7.5
155.08548	7.1
155.10672	1.6
157.06511	4.1
157.10110	13.5
159.08093	9.3
159.11711	13.1
161.06003	2.7
161.09639	17.8
161.13280	3.6
163.07545	3.8
163.11194	21.6
165.09123	8.9
165.12740	2.2
167.08557	3.4
169.06575	2.1
169.10132	8.7
171.08022	4.9
171.10229	2.5
171.11659	11.7
173.04440	2.4
173.09627	10.5
173.11847	2.4
173.13240	4.7
175.11227	11.9
175.14893	1.6
177.09099	2.6
177.12715	4.0
179.10550	2.3
181.10065	4.0
181.12192	7.2
183.08081	3.3
183.10085	1.7
183.11674	6.0
185.09636	5.8
185.13268	4.9
187.11131	6.1
189.09286	2.7
189.11212	14.6
189.12808	4.3
191.10606	8.9
191.14299	1.9
193.10391	2.0
193.12244	7.8
195.11667	4.7
197.09644	2.6
197.13211	3.4
199.11180	5.8
199.14819	1.5
201.12752	3.0
203.10681	2.2
205.12161	2.0
207.11838	2.3
207.13864	1.7
209.09668	2.9
209.11613	3.4
209.13365	3.1
211.11180	2.5
211.14784	1.3
213.09061	2.1
213.12744	3.0
213.16356	2.0
215.14282	1.3
219.13905	2.0
223.11226	2.4
223.13284	5.2
225.12746	2.3
227.12744	22.1
227.14633	2.0
227.17937	4.0
229.12268	1.7
231.13768	2.2
231.17442	1.8
237.16563	2.0
243.17726	1.4
245.19026	6.2
247.13397	1.6
249.14844	3.0
255.17584	6.6
263.20047	3.0
267.12329	2.2
271.17020	3.1
273.18497	60.4
274.18802	1.4
275.20056	3.8
283.15369	4.1
289.17902	7.0
291.19553	68.4
292.71988	1.6
301.18008	1.6
309.20563	4.4
313.17905	1.8
315.19385	2.4
327.19373	2.1
329.21042	4.5
339.19485	2.8
345.20868	1.6
347.22208	19.7
349.23688	4.1
353.20795	1.7
357.20557	2.9
363.19760	1.5
365.23285	31.6
369.20364	1.7
371.22089	3.0
381.20508	1.9
383.24152	2.2
393.27722	1.8
399.21667	5.8
417.22717	5.6
435.23300	2.1
436.27753	1.7
467.31689	2.0
473.25211	2.3
475.13498	2.2
476.30835	2.4
491.26419	4.7
509.27142	4.8
513.32062	4.8
527.33972	2.7
531.32959	1.6
535.32666	2.0
545.35785	3.7
556.36865	2.5
557.34735	2.2
563.37341	2.4
567.34357	1.7
581.38440	2.2
583.35864	3.5
619.39832	7.6
637.30463	1.9
637.41003	39.1
655.42017	46.4
673.42426	2.3
679.41742	2.0
697.42480	2.1
721.43658	2.0
745.43414	2.2
751.43811	2.2
763.43640	4.3
781.45532	7.3
799.46198	13.7
817.47418	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	813.512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
57.07062	0.3
60.08158	0.7
61.02930	4.9
67.05177	0.4
67.05509	5.3
69.03426	2.8
69.07083	1.5
69.17357	2.5
71.01357	0.4
71.05013	0.6
71.07381	0.6
73.02921	3.7
79.05495	4.3
81.03411	1.5
81.07059	5.3
83.04988	0.4
83.08609	0.4
85.02914	4.9
86.09712	3.8
87.04465	0.5
87.10021	0.6
91.03954	3.4
91.05483	3.2
93.07044	4.9
95.04943	0.4
95.08615	3.5
97.02890	4.7
98.98505	0.4
99.00911	0.3
99.04458	0.8
101.02388	1.7
104.10777	0.3
105.07046	1.9
107.08595	2.6
109.02896	0.8
109.10199	1.1
115.03931	0.7
116.71844	0.3
117.07028	0.7
117.87653	0.4
119.08605	1.8
121.10119	1.4
123.11751	0.4
125.00025	2.2
127.03918	1.7
129.05457	0.3
131.08562	0.7
133.10150	1.6
135.11716	1.2
145.10165	0.9
147.11740	0.8
149.13341	0.4
159.11649	0.4
161.13301	0.4
173.13387	0.4
184.07350	11.0
185.04283	1.0
185.07735	1.3
203.05382	0.8
210.59720	0.3
243.08432	2.8
259.07904	0.3
261.22104	0.3
301.09045	1.0
315.10721	0.6
317.20941	0.5
328.55670	0.3
335.25839	0.8
371.16931	0.4
373.11044	0.4
397.18661	0.3
429.17590	0.3
465.21613	0.3
519.29321	9.9
535.28735	3.8
591.31714	0.5
743.43073	0.5
785.28876	0.3
813.51208	100.0
814.51453	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	814.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90798	0.1
58.06618	0.5
59.07382	0.2
60.08167	6.3
67.05493	0.4
69.07062	0.2
70.06594	0.1
71.07380	4.0
71.23064	0.1
71.23394	0.2
79.05498	0.2
81.07045	0.4
81.82557	0.1
86.09709	32.0
87.10021	0.5
91.05433	0.2
93.07082	0.1
95.08584	0.3
98.98471	3.6
98.99129	0.2
104.10748	2.9
105.07021	0.2
107.04943	0.1
107.08648	0.2
125.00010	21.3
126.00334	0.2
143.01064	0.2
149.50951	0.1
166.02695	0.2
184.07346	100.0
185.07697	1.6
186.07779	0.4
227.00722	0.1
246.05714	0.1
343.04419	0.1
385.27689	0.1
617.43665	0.1
641.51093	0.2
674.43872	0.2
714.47247	1.7
796.54578	0.7
814.55920	4.3
815.56122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06620	0.4
59.07397	0.1
60.08169	5.9
66.75182	0.1
67.05502	0.2
69.07066	0.1
70.06580	0.1
71.07379	3.4
79.05492	0.1
80.45934	0.1
80.97482	0.1
81.07063	0.3
83.04988	0.1
86.09713	29.2
87.10047	0.3
93.07043	0.1
94.48965	0.1
95.08606	0.1
98.20721	0.1
98.98470	3.0
104.10752	2.5
105.07063	0.1
116.99478	0.1
119.08663	0.1
125.00014	20.2
143.01074	0.1
166.02718	0.2
184.07353	100.0
185.07729	1.0
186.07805	0.3
510.13885	0.1
521.18884	0.1
550.31708	0.1
712.45245	0.1
765.15112	0.1
794.53156	0.5
812.54443	5.5
813.54773	0.2
839.81555	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	812.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06635	0.4
59.07381	0.1
60.08166	6.2
67.05495	0.2
69.07061	0.1
70.06581	0.2
70.76935	0.2
71.07374	3.2
77.45171	0.1
78.91992	0.1
80.97446	0.1
81.07059	0.4
86.09709	30.0
91.05486	0.1
93.07012	0.1
95.08632	0.2
98.98470	3.5
104.10748	2.6
109.10150	0.1
121.10191	0.1
125.00008	20.6
143.01048	0.2
166.02757	0.2
184.07347	100.0
185.07730	0.4
248.91096	0.1
272.97720	0.1
431.07700	0.1
493.88922	0.1
499.63184	0.1
502.32629	0.1
520.34308	0.2
542.89508	0.1
565.26398	0.1
646.64838	0.1
700.45361	0.2
708.62683	0.1
714.46967	1.3
715.47815	0.1
754.49908	0.1
780.54590	0.1
794.53259	0.5
812.54413	3.8
813.54773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06631	0.5
59.07379	0.1
60.08165	6.3
67.05511	0.2
70.06594	0.1
71.07372	3.5
78.90701	0.1
79.05484	0.2
79.35893	0.1
81.07049	0.3
86.09707	29.5
87.10059	0.1
91.05463	0.2
93.07034	0.2
95.08626	0.2
98.98466	3.0
104.10744	2.3
105.07053	0.3
109.10195	0.1
112.27423	0.1
117.07065	0.1
125.00006	20.1
133.10143	0.1
143.01097	0.1
147.11696	0.1
166.02612	0.1
184.07341	100.0
185.07689	0.5
314.07120	0.1
349.84653	0.1
358.65878	0.1
516.30579	0.1
518.31915	0.1
730.17896	0.1
744.60504	0.1
776.52228	8.6
777.52032	0.5
795.91193	0.1
812.51874	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	811.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
57.07066	0.4
59.76047	0.5
61.02933	5.2
65.07523	0.4
67.05503	5.3
69.03433	3.7
69.07078	2.2
71.01369	0.8
71.04983	0.6
73.02922	4.4
79.05496	3.9
81.03426	1.5
81.07055	6.0
83.08636	1.0
85.02902	4.5
86.09718	2.1
87.04441	0.5
91.03969	2.8
91.05479	3.1
93.07042	5.2
95.04966	0.8
95.08605	4.4
97.02889	4.8
97.06523	0.5
98.21518	1.5
99.04467	1.1
101.02386	1.2
105.07018	3.2
107.04984	0.5
107.08580	2.3
109.02925	1.0
109.10165	1.1
117.06974	0.9
119.08602	1.6
121.10165	1.8
125.00001	1.3
127.03992	0.8
131.08611	0.9
133.10165	1.8
135.11714	1.8
145.10168	1.3
147.11685	0.7
149.13356	0.6
159.11749	0.7
171.01530	0.4
179.14476	0.5
184.07336	6.1
203.05305	0.5
243.06247	0.5
243.08507	2.0
315.19308	4.4
371.22064	0.8
519.29236	7.8
533.27246	4.7
669.88031	0.5
811.49646	100.0
812.49872	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	812.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06622	0.5
59.07381	0.1
60.08166	6.3
67.05497	0.2
69.07035	0.1
69.56113	0.3
69.56522	0.2
70.06597	0.1
71.06985	0.2
71.07375	3.3
79.05497	0.2
80.97424	0.1
81.07046	0.3
86.09709	29.9
87.10032	0.2
87.84548	0.1
93.07034	0.2
95.08624	0.2
98.20792	0.2
98.98467	3.2
104.10742	2.6
105.07009	0.1
121.10146	0.1
124.08412	0.1
125.00009	20.8
134.27190	0.1
143.01106	0.1
166.02707	0.2
184.07346	100.0
185.07732	0.6
240.50249	0.1
364.29678	0.1
395.93713	0.1
674.42920	0.1
714.47137	0.7
754.50677	0.1
776.51892	0.1
794.53491	0.5
812.54364	3.7
813.54260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	16.0
61.02916	6.9
65.03934	8.7
65.04268	2.9
67.05511	78.5
69.03130	2.9
69.03441	29.6
69.07074	15.6
70.06603	5.1
71.04973	8.4
71.52394	3.4
72.08154	4.1
73.02901	3.2
79.05499	100.0
81.02991	4.1
81.03425	52.3
81.07063	58.6
81.74670	2.8
83.04994	21.8
83.08617	9.6
84.08138	3.4
85.02900	19.8
85.06538	5.6
86.09707	7.7
91.05491	84.3
93.03411	2.5
93.06493	4.6
93.07053	88.4
95.04977	36.4
95.08614	39.3
97.02906	16.6
97.06522	9.6
97.10165	5.0
99.04454	8.7
103.05460	3.1
105.04530	3.1
105.07041	66.4
106.35273	2.7
107.04948	13.7
107.08611	22.2
109.02869	10.2
109.06538	10.0
109.10140	11.8
109.23163	3.3
111.04424	4.8
111.08075	3.3
115.05453	6.5
117.07020	25.6
119.05015	4.3
119.08583	41.9
121.06523	8.8
121.10144	10.1
123.04449	4.5
123.08056	11.2
125.11279	2.7
127.03924	9.9
128.06230	11.3
129.05516	3.6
129.07021	38.2
129.89087	3.1
131.04916	4.6
131.08565	23.9
133.00890	2.8
133.06502	11.0
133.10126	20.0
135.08102	4.0
135.11697	5.4
141.06981	3.1
143.08530	19.1
145.06418	6.0
145.10129	17.1
147.08041	7.9
147.11676	39.6
149.09541	3.7
149.13219	3.2
155.08536	9.5
157.06555	3.2
157.10126	8.7
159.08118	6.2
159.11722	6.9
161.09618	10.3
161.13251	13.2
163.11137	7.5
165.06993	4.6
167.08493	5.1
169.10104	8.1
171.08026	8.2
171.11687	31.9
173.04494	20.1
173.13312	3.8
181.10100	4.8
183.07996	4.2
184.07350	10.0
185.09608	6.5
185.13208	3.4
187.11197	2.9
189.12767	18.7
189.95691	2.8
197.13293	3.6
199.11252	4.4
207.13808	35.5
213.16351	2.7
225.14864	5.8
227.12503	3.2
241.15947	8.0
259.16922	6.0
269.15308	11.7
279.16220	4.2
281.17511	97.2
287.16476	15.7
305.17398	4.5
333.16980	3.7
351.18094	4.8
361.20242	6.0
415.41043	3.5
469.29266	5.4
471.30374	3.8
487.30536	87.3
488.31775	3.1
501.22778	3.3
501.31873	10.5
529.31512	5.1
539.33441	6.0
549.31842	7.9
567.33374	25.7
573.80609	3.2
585.33862	3.9
595.32849	4.5
596.34711	2.9
613.33765	6.2
631.34735	17.6
649.35651	4.7
769.57159	2.9
811.44446	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	0.5
60.07883	0.4
60.08169	5.9
67.05502	0.5
69.07088	0.3
71.07379	3.1
79.05499	0.3
81.07061	0.8
86.09712	29.0
86.86169	0.2
93.07030	0.5
95.08607	0.7
98.98460	2.8
104.10753	1.7
105.07078	0.4
107.08590	0.3
109.10201	0.2
125.00017	18.8
132.61285	0.2
135.11734	0.2
143.01118	0.2
183.18916	0.2
184.07353	100.0
185.07681	0.4
220.59645	0.3
229.19061	0.4
244.95490	0.2
256.10870	0.2
265.74374	0.2
337.27432	0.4
487.62921	0.2
613.47522	0.8
778.53851	6.5
779.54022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	13.3
57.07070	7.5
57.76959	1.9
60.08157	3.3
60.80773	2.2
65.03944	4.8
67.05508	100.0
69.07073	36.8
71.05010	4.0
71.08620	2.8
71.16301	3.2
73.02930	2.3
79.05499	54.6
81.07058	96.9
83.08624	17.9
86.09702	16.8
91.05481	61.0
93.07047	63.4
95.04964	5.1
95.07993	3.6
95.08606	73.7
97.06540	4.3
97.10180	8.3
99.08072	2.7
103.05452	2.9
105.07037	59.3
107.08603	34.5
109.10156	28.9
117.07000	13.9
119.08585	57.1
121.06522	2.8
121.10147	26.1
123.08097	3.4
123.11690	9.8
125.00014	9.7
129.07018	10.9
131.08580	26.0
133.10133	34.4
135.11707	22.5
137.09567	3.0
143.08560	8.4
144.82715	2.3
145.10130	26.0
147.11690	38.0
149.13252	15.9
157.10136	9.7
159.11662	20.0
161.09633	2.2
161.13251	25.0
163.11192	2.2
163.14873	5.4
163.78740	2.3
171.11717	10.6
173.13286	12.1
175.14839	12.8
184.07344	54.5
185.07706	4.6
185.13300	7.0
187.14877	2.8
189.12666	2.3
189.16345	3.6
197.13321	3.7
198.08809	2.4
199.14803	6.7
211.14938	2.8
217.46303	2.1
227.17978	2.7
231.21144	5.2
241.19563	22.4
257.19196	4.3
259.20590	61.3
261.22116	8.4
263.23676	3.9
275.20224	2.6
312.17175	2.3
315.23096	5.7
333.24170	45.4
334.24579	2.6
335.25781	16.8
337.27383	74.2
521.43616	4.1
595.47284	16.9
613.48267	72.6
676.39337	2.8
778.52332	3.8
831.06635	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	808.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.9
57.07058	2.2
60.08160	3.2
65.03925	1.9
67.05508	30.0
69.07070	15.8
69.15644	15.0
71.04984	2.2
71.07365	2.6
71.08611	1.9
79.05502	16.6
81.03410	4.0
81.06590	2.5
81.07059	35.0
82.34436	1.5
83.04984	2.9
83.08619	5.8
85.02891	1.6
86.09707	21.4
88.93619	1.3
91.05486	22.6
93.07050	17.2
95.01334	2.8
95.04947	4.0
95.08611	23.9
97.06555	8.8
97.10159	3.3
98.98429	2.1
103.05502	1.9
105.06398	1.3
105.07032	29.4
107.04938	5.4
107.08603	10.1
109.06506	2.5
109.10144	5.8
117.07014	5.4
119.08585	17.2
121.10175	8.0
123.11687	3.0
125.00008	12.8
125.09589	1.4
131.08589	8.1
133.10146	17.1
135.11673	2.9
145.10143	6.7
147.11710	7.4
149.09628	1.9
149.13225	1.9
159.11676	5.6
161.13251	3.4
163.14832	1.8
169.10118	1.9
172.76970	1.5
173.13326	1.8
179.14307	5.2
184.07358	66.5
212.52394	1.4
219.17485	2.2
257.18817	2.0
259.20532	2.7
263.23834	1.6
275.20111	21.5
333.24310	1.6
335.25830	6.5
337.23233	1.9
337.27350	45.0
349.23792	13.3
611.46698	100.0
612.47345	2.8
667.52527	1.7
674.95728	1.6
776.52069	4.6
808.52679	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	810.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	0.1
57.29031	0.1
58.06629	0.4
59.07391	0.1
60.08165	6.4
67.05511	0.2
69.07051	0.1
69.17461	0.6
70.06593	0.2
71.07376	3.9
79.05496	0.2
81.07072	0.2
83.08624	0.1
86.09709	31.1
89.06038	0.2
91.05486	0.2
93.07040	0.2
95.08592	0.1
97.06564	0.1
98.21669	0.1
98.98469	3.6
104.10751	2.2
105.07020	0.2
107.08595	0.1
109.10162	0.1
117.07027	0.1
119.08575	0.2
125.00009	22.4
131.08559	0.1
133.08580	0.1
133.10141	0.1
143.01085	0.2
158.18071	0.1
159.11775	0.1
166.02640	0.1
184.07346	100.0
185.07719	0.5
317.81531	0.1
421.05219	0.1
498.29507	0.1
516.30695	0.3
556.38721	0.1
623.32568	0.1
774.50690	7.6
775.51324	0.3
792.51855	0.1
821.65405	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	808.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.7
57.07057	4.5
61.02927	2.7
65.03936	5.0
67.05508	100.0
69.03426	2.9
69.06732	2.6
69.07069	29.7
69.22786	12.8
69.23188	3.0
71.04982	4.8
77.03918	2.3
78.37666	1.8
79.05495	80.6
81.03389	2.6
81.07060	92.9
83.04990	3.7
83.08628	10.9
85.06533	2.8
91.05485	83.1
93.07048	98.6
95.04960	7.3
95.08611	65.4
97.06531	3.6
97.10146	5.5
99.08028	3.0
103.05450	1.7
105.04531	3.2
105.07040	82.2
107.04932	2.1
107.08596	47.7
109.06513	3.0
109.10166	24.9
111.08077	3.1
115.05417	3.4
117.07021	24.7
119.08589	68.2
121.09329	3.3
121.10150	41.5
123.08036	3.4
123.11696	9.4
123.33411	1.6
128.06216	3.6
129.07010	11.7
131.08577	33.1
133.10141	47.0
135.11696	25.6
137.09554	2.6
137.13248	2.5
141.06996	2.1
142.07703	2.0
143.08565	13.6
145.09062	2.7
145.10136	28.9
147.11694	44.8
149.09612	2.0
149.13301	10.9
155.08554	4.0
157.10158	10.3
159.11713	28.3
161.13269	24.1
163.14815	5.8
169.10083	3.1
171.11705	17.2
173.13249	17.6
175.14886	10.7
177.12727	2.9
183.11644	3.8
184.07227	1.9
185.13226	9.6
187.14801	5.5
189.16380	2.5
191.14317	2.6
197.13306	3.8
199.14819	7.3
201.16368	2.0
211.14882	2.7
213.16524	2.2
215.17924	4.1
223.14842	1.7
227.17702	1.9
231.17529	2.0
231.21078	5.7
241.19571	22.3
243.21059	2.4
257.18942	7.7
259.20575	67.5
260.21152	1.6
261.22183	11.3
273.22168	1.8
275.20331	1.7
277.21521	2.0
315.23233	6.4
331.22864	1.7
333.24225	54.1
335.25815	76.0
337.27286	5.1
351.25571	1.8
363.03284	1.8
519.41675	3.6
537.43030	2.5
593.45648	16.9
611.46741	55.3
612.46204	2.5
701.47839	3.6
719.48523	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	19.0
57.95940	1.6
61.02918	2.6
62.50020	1.5
65.03925	4.6
67.05509	51.1
69.03432	8.4
69.07070	23.9
70.06576	3.1
71.04984	6.8
72.08141	3.2
76.48047	1.6
79.05497	61.4
81.03422	86.2
81.07060	76.1
83.04977	21.1
83.08627	33.5
84.08191	1.9
85.02906	29.4
85.06537	1.9
86.09711	6.1
91.05485	71.5
93.07046	49.3
95.04982	41.4
95.08613	30.8
97.02897	7.2
97.06548	10.4
97.10174	10.3
97.50027	1.6
99.04433	2.2
99.08092	3.4
103.05469	1.9
105.07036	47.2
107.04961	23.3
107.08589	22.7
109.06529	14.6
109.10188	13.1
111.04449	7.5
111.08086	17.9
113.05985	3.0
115.05437	3.9
117.07034	16.1
119.04967	2.2
119.08585	46.9
121.06505	11.7
121.10149	23.7
123.08096	16.7
123.11694	2.4
125.05980	3.0
125.09647	5.0
128.06259	4.4
129.01118	2.0
129.07011	21.0
131.08577	32.4
133.00533	3.1
133.06534	7.7
133.10147	25.2
135.08066	6.4
135.11699	8.4
137.09616	7.8
137.98965	2.0
141.07056	2.0
142.07773	3.6
143.08598	8.7
145.06496	2.9
145.10139	17.4
147.08060	15.8
147.11694	20.0
149.09628	18.2
155.06172	2.2
155.08517	2.6
157.10159	18.6
159.08110	2.3
159.11690	7.7
161.09598	11.0
161.13338	3.1
163.11227	13.1
165.12746	4.3
169.10130	3.2
171.10268	1.6
171.11685	6.9
173.09521	1.9
173.13246	2.3
175.11192	17.6
181.12213	3.0
184.07309	9.8
185.09634	1.9
185.13304	4.0
187.11047	2.4
189.11192	2.5
189.12822	2.3
193.10493	2.6
193.12248	47.6
195.11745	2.5
197.07242	4.2
199.14854	2.0
205.12234	3.0
211.13298	87.1
223.13286	3.7
227.12785	2.7
227.17955	3.0
229.44519	2.6
239.71149	1.7
245.19185	2.5
249.14949	3.5
255.17468	4.0
257.18958	2.1
267.15936	40.1
273.15823	2.7
273.18561	30.3
274.18671	2.3
283.15268	3.1
285.16974	100.0
286.17273	2.0
291.19562	36.9
309.16205	7.6
327.17184	4.2
347.22076	8.7
354.45468	1.7
383.19894	34.4
401.20923	46.1
425.16785	2.0
433.25992	3.1
465.29938	1.6
467.04675	1.7
487.96408	1.6
539.33557	6.2
557.34705	16.9
575.30353	28.2
593.32404	72.1
611.33496	70.6
612.33594	2.3
715.46704	2.0
757.60431	1.7
808.44220	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	807.525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68463	1.0
57.03437	11.0
57.07074	3.1
59.04998	1.4
60.08153	1.6
63.41231	1.2
65.03929	3.4
67.05504	76.0
69.03428	3.1
69.07066	25.4
69.81358	6.4
71.04990	5.8
71.07365	1.8
71.08633	2.5
77.03949	1.5
79.05495	62.2
81.03399	5.7
81.07056	63.9
83.04978	13.6
83.08621	27.8
85.02906	6.0
85.06548	3.0
86.09706	6.1
87.04488	1.9
89.06039	6.7
91.04897	2.0
91.05480	39.4
93.07043	62.1
95.04968	63.5
95.08610	50.9
95.44614	1.2
96.08817	1.0
97.06519	6.6
97.10177	14.5
99.04478	6.1
99.08104	2.9
103.05481	1.5
104.65988	1.1
105.04487	1.5
105.07034	38.8
107.04973	9.0
107.08595	42.1
109.06523	8.7
109.10154	22.5
110.10446	1.1
111.04452	12.0
111.08093	7.1
115.05441	1.7
117.07014	12.6
119.07801	2.1
119.08588	26.0
121.06491	6.9
121.10143	29.4
121.54161	1.0
123.08056	8.5
123.11716	5.1
124.99997	5.3
125.09623	11.8
127.07504	1.3
129.06984	5.3
131.08572	19.8
133.06491	1.4
133.08643	2.2
133.10138	19.2
135.08043	5.1
135.11717	13.8
137.09615	5.2
137.13268	1.4
139.11205	3.3
141.06978	2.6
143.08580	3.9
145.06497	1.8
145.10123	19.4
147.08052	4.4
147.11684	10.9
148.70155	1.3
149.09627	25.5
149.13245	4.2
151.11200	2.4
153.09111	2.1
153.12788	1.7
157.10190	3.5
159.11684	12.1
161.09610	2.8
161.13243	4.8
163.11174	28.9
163.14848	1.7
165.12746	3.1
169.10126	3.0
171.11693	3.3
173.09584	2.1
173.11853	1.8
173.13251	3.3
175.11192	2.8
175.14864	1.4
177.12755	5.0
181.12317	1.4
183.11694	1.9
184.07341	28.3
185.07695	1.8
185.13329	1.9
187.11200	4.2
187.14850	3.3
189.11232	12.8
189.12738	1.7
191.10719	1.4
193.12209	2.0
197.13399	1.6
201.12743	1.3
201.16402	1.3
205.12250	5.1
211.14861	1.8
215.17999	1.9
223.13286	45.9
227.20059	2.6
229.19591	2.6
237.14848	1.2
239.17972	3.6
243.21062	2.2
247.20555	1.4
257.19006	7.0
261.22220	6.3
273.18521	1.4
274.39969	1.2
275.20059	59.6
280.08517	1.2
293.21124	40.9
311.22418	1.4
317.24701	2.7
335.25793	100.0
336.26169	3.1
337.27185	1.4
349.23718	17.4
367.24799	46.5
368.24896	1.4
377.41888	1.4
434.40009	1.3
604.57922	1.2
609.45129	13.1
627.46185	80.4
628.45959	1.6
647.32007	1.4
746.51868	1.3
821.51941	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.3
57.07061	2.3
60.08150	1.9
65.03931	2.7
67.05508	54.4
68.17445	0.5
69.03418	2.0
69.07072	17.0
69.65960	1.3
69.66371	2.4
71.04998	3.1
71.07371	0.8
79.05499	42.6
81.03400	2.4
81.07062	49.2
82.07356	0.7
83.04993	7.7
83.08622	17.0
85.02917	2.8
85.06541	2.1
86.09708	6.5
87.10046	0.8
91.05486	28.0
93.07049	45.2
95.04974	42.4
95.08610	38.4
97.06544	5.1
97.10181	7.7
98.20794	1.1
99.04441	3.1
99.08082	1.0
103.05461	0.6
104.10709	0.9
105.04495	1.3
105.07037	22.3
107.04970	6.5
107.08598	29.2
109.06519	5.4
109.10156	14.7
111.04459	6.8
111.08078	4.5
113.09665	0.7
115.05479	1.0
117.07012	8.5
119.08589	18.3
121.06535	3.1
121.10152	21.3
123.08094	4.5
123.11718	5.8
125.00008	5.3
125.05973	1.1
125.09639	6.1
128.06186	0.8
129.07033	3.0
131.08585	12.6
133.06525	1.1
133.10132	12.5
134.33005	0.5
135.08063	3.1
135.11697	10.9
137.09633	1.7
137.13234	0.6
139.11188	1.4
141.07014	0.8
143.08549	1.6
144.09258	0.8
145.06490	0.7
145.10132	15.7
147.08087	2.2
147.11699	7.8
149.09631	15.8
149.13226	4.0
151.11200	1.4
153.09096	1.1
153.12775	1.0
155.08522	0.9
157.10097	2.6
159.11723	5.9
161.09602	2.0
161.13318	4.5
163.11191	17.0
163.14859	1.4
165.09134	0.6
165.12752	2.3
169.10126	1.3
171.11679	2.3
173.09662	1.3
173.13257	3.4
175.11197	1.3
175.14786	1.3
177.12747	2.0
181.12215	0.8
183.11696	0.7
184.07346	26.0
185.07657	2.8
185.13196	0.8
187.11159	2.1
187.14812	1.8
189.11255	6.7
189.12779	1.0
191.10631	0.7
191.14255	0.9
193.12263	1.0
195.13898	0.9
197.13214	1.4
201.16370	1.1
205.12279	2.3
215.14355	0.6
223.13281	23.9
227.12744	1.3
229.19493	1.2
239.17896	2.1
243.21143	1.3
247.20612	0.8
257.19009	5.5
261.22113	4.2
275.20087	35.5
276.20471	0.9
293.21127	20.0
311.22211	0.8
317.21140	0.7
317.24768	1.9
335.25815	100.0
336.26233	1.8
337.27667	0.6
340.52750	0.7
349.23807	10.4
349.42072	0.6
367.24802	22.9
367.29501	1.1
419.85870	0.6
609.45123	12.3
627.46204	67.3
628.46228	1.8
807.55017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.7
57.03423	0.3
57.07075	0.1
58.06617	0.5
59.07357	0.1
60.08165	6.0
65.03938	0.2
67.05505	1.4
69.07072	0.6
71.04954	0.1
71.06984	0.2
71.07374	3.7
71.52207	0.2
76.00383	0.1
79.05495	1.2
81.03407	0.4
81.07056	2.1
82.07391	0.3
83.04973	0.3
83.08611	0.4
85.02894	0.3
86.09706	30.5
91.05486	1.0
92.05800	0.2
93.07036	1.2
94.07330	0.1
95.04989	0.6
95.08605	1.1
96.08983	0.2
97.02917	0.2
97.10144	0.3
98.98465	3.4
99.04422	0.2
104.10735	2.6
105.07041	0.6
107.04974	0.2
107.08616	0.7
109.06499	0.4
109.10165	0.4
111.04443	0.3
111.08099	0.2
117.07025	0.5
119.08598	0.5
121.06487	0.2
121.10169	0.6
123.08044	0.3
123.11750	0.1
125.00006	20.6
125.09654	0.2
127.03912	0.2
129.07007	0.2
131.08574	0.5
133.10141	0.4
135.08028	0.1
135.11668	0.3
143.01056	0.2
143.08556	0.2
144.21751	0.1
145.10135	0.5
147.08026	0.2
147.11665	0.2
149.09570	0.3
149.13203	0.2
157.10149	0.3
159.11749	0.2
161.13286	0.1
163.11215	0.2
164.11601	0.2
171.11751	0.1
175.11147	0.2
184.07341	100.0
185.07718	0.5
189.11217	0.2
192.69757	0.1
201.44301	0.1
209.13376	0.1
227.12842	0.2
228.13191	0.1
261.22266	0.1
273.18481	0.3
274.18872	0.3
275.19916	0.3
277.81042	0.1
291.19467	0.7
292.20053	0.4
335.25818	0.7
336.26117	0.6
337.27597	0.1
365.23285	0.3
496.34003	0.2
608.43494	0.1
609.44232	0.2
626.44989	0.7
627.46765	0.1
635.52136	0.1
644.46143	0.3
650.43970	0.9
690.47021	2.0
732.80927	0.1
752.51721	0.3
770.53149	1.9
788.54376	1.9
789.55139	0.1
806.55432	4.1
807.56055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.0
65.03943	1.9
67.05508	38.1
69.03449	0.8
69.07070	18.2
69.17345	4.4
71.04997	1.7
71.65958	0.4
77.03914	0.6
79.05495	24.8
81.03441	3.6
81.07061	41.9
83.04568	0.5
83.04984	3.4
83.08618	4.9
85.02913	0.7
85.06541	1.2
86.09734	0.5
91.05486	31.6
93.07049	28.7
95.01345	3.9
95.04977	5.2
95.08611	30.9
96.69182	0.4
97.06542	11.0
97.10175	1.8
99.08060	0.6
103.05473	0.6
105.04578	0.8
105.07035	39.4
107.04958	7.9
107.08597	15.0
109.06525	3.2
109.10162	9.7
109.10851	0.9
111.04502	0.5
111.08122	2.2
113.09666	0.7
115.05486	0.6
116.03186	0.5
117.07024	8.1
119.08588	20.5
121.06535	1.2
121.10146	9.0
123.04439	1.1
123.08112	2.3
123.11688	3.3
125.09658	1.2
129.07021	1.1
131.08580	12.3
133.10139	22.2
135.08073	2.1
135.11693	6.3
137.09625	1.9
137.13239	0.8
139.07605	0.8
141.06998	0.8
143.08574	1.2
145.06479	1.1
145.10136	9.6
147.08095	0.8
147.11707	8.7
149.09666	2.5
149.13266	3.9
151.11221	0.8
154.07797	0.5
157.10199	1.0
159.11699	6.5
161.13251	3.8
163.11195	1.7
163.14819	0.6
165.09103	0.5
169.10223	0.6
171.11685	1.2
173.13210	2.4
175.14943	0.6
177.12787	1.4
179.14311	5.8
183.11728	1.2
184.07355	1.4
187.11223	1.5
187.14830	1.0
197.13226	1.0
205.12242	0.6
206.85335	0.5
219.13823	0.5
219.17448	3.2
224.89430	0.5
229.19676	0.9
239.17976	0.6
247.20653	1.2
257.19138	1.6
261.22311	0.6
275.20078	30.1
275.35397	0.5
293.21201	1.3
335.25809	60.2
336.26346	1.1
349.23740	16.1
475.63257	0.5
534.85358	0.5
609.45148	100.0
610.45465	4.9
627.46313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.5
61.02905	2.8
65.03945	3.2
67.05512	81.5
69.03430	6.8
69.07080	23.3
70.06583	8.4
71.04990	7.2
71.52549	1.7
72.08153	3.1
73.02892	2.4
79.05504	71.4
81.03426	19.6
81.07066	100.0
83.04992	26.9
83.08629	21.6
84.04506	2.5
84.08143	6.9
85.02903	7.8
85.06543	6.8
86.09702	8.2
91.05491	54.4
93.06489	3.6
93.07058	62.8
95.01318	3.0
95.04979	29.7
95.08617	24.5
97.02871	3.6
97.06544	19.0
97.10186	22.6
99.04459	5.8
99.08103	2.5
103.05493	1.8
105.04539	2.1
105.07041	31.5
107.04965	55.1
107.08602	37.0
109.02874	1.8
109.06523	19.0
109.10178	16.3
111.04456	35.8
111.08088	13.9
113.06036	1.9
115.05431	4.0
117.07030	25.3
119.04939	3.5
119.08600	37.5
121.06523	15.1
121.10152	38.9
123.04433	3.6
123.08066	22.4
124.24908	2.0
125.05984	3.7
125.09641	26.4
128.06267	2.7
129.05472	1.9
129.06999	8.2
130.07738	2.3
131.04918	6.2
131.08597	28.0
133.06534	3.9
133.10159	15.3
135.08102	11.9
135.11713	38.1
136.07567	3.5
137.09625	7.5
141.06958	2.6
143.08568	7.1
145.06516	11.9
145.10146	50.9
147.08046	14.9
147.11702	9.2
149.09622	19.1
151.11188	2.6
153.09097	3.2
153.12756	13.1
155.08583	13.8
157.10152	6.7
159.08064	3.7
159.11710	7.1
161.09656	14.7
163.11197	57.2
165.09096	4.3
165.12813	2.2
171.10233	2.2
171.11679	5.0
173.09625	30.7
173.13264	2.6
175.11186	6.1
181.09970	2.5
181.12248	22.2
184.07362	4.4
185.13318	3.6
187.11229	3.3
189.11223	13.5
191.10687	26.0
193.12285	3.4
195.11670	1.8
199.11212	2.8
201.12772	2.3
209.10046	1.9
209.11693	11.2
223.13319	4.6
227.12816	25.8
229.14319	4.5
235.38196	1.9
245.18979	5.1
249.14847	3.2
255.17671	2.5
265.14377	72.9
267.15878	1.9
273.18518	47.0
275.20105	2.9
283.15427	56.0
291.19577	77.4
299.14966	5.8
301.16483	61.1
309.20633	18.5
347.22382	11.2
349.23718	2.7
365.23340	33.4
382.17517	2.1
383.24310	20.6
435.23828	4.3
435.29150	2.0
453.24817	10.4
463.27896	2.0
491.26810	2.8
529.35687	3.2
531.33423	2.8
537.32117	4.6
545.34637	2.2
555.33252	35.1
573.34271	75.2
591.35352	87.8
609.36389	45.5
610.36292	2.2
731.35229	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	806.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	25.2
57.07067	6.1
59.04988	2.6
60.11577	2.2
61.02895	3.0
61.88378	2.5
62.17351	2.2
65.03611	2.1
65.03934	5.7
67.05507	86.8
68.74113	2.1
69.03434	13.6
69.07067	33.2
70.06577	7.1
70.56261	2.2
71.01358	4.1
71.04978	8.2
71.25584	4.0
73.02895	7.3
74.39780	2.2
79.05497	80.5
81.03419	64.9
81.07057	100.0
82.04208	5.0
83.04982	32.7
83.08154	3.7
83.08619	46.3
83.52782	2.2
84.08146	4.7
85.02909	25.0
85.06537	6.7
86.09701	4.3
91.05482	70.0
93.07042	62.5
93.07629	3.0
95.04970	49.5
95.08607	33.0
96.05750	2.7
97.02905	16.8
97.06549	20.7
97.10169	37.2
98.07326	4.3
99.04433	6.2
99.08123	4.3
105.04533	2.7
105.07029	40.2
107.04966	22.0
107.08592	39.2
109.06515	27.1
109.10168	31.4
111.04440	16.2
111.08080	20.9
113.06017	3.9
116.04738	11.4
117.05494	2.2
117.07035	16.3
119.04951	2.4
119.08581	43.3
121.06521	14.6
121.10162	26.0
123.04418	5.2
123.08073	27.6
123.11702	3.3
125.05990	2.5
125.09634	40.4
128.06194	4.1
129.05482	27.0
129.06972	20.9
131.07741	2.6
131.08577	28.2
133.06482	8.0
133.10135	27.4
135.08072	16.1
135.11702	12.5
137.09627	17.2
139.11174	3.0
141.06982	2.6
143.06947	6.4
143.08553	6.4
145.06453	4.1
145.10117	23.9
147.08034	16.5
147.11708	22.8
149.09612	15.9
151.07507	2.8
151.11185	2.4
152.17261	2.3
153.09090	10.2
153.12711	6.3
155.10686	2.6
157.08618	10.8
157.10117	15.7
158.67503	2.2
159.07994	3.8
159.11667	7.2
161.09628	11.1
161.13318	4.6
163.11186	25.2
165.09113	8.2
165.12758	7.4
171.10228	4.7
171.11636	2.8
173.09595	6.4
173.11749	6.4
175.11195	20.4
177.12755	4.6
181.12193	10.5
184.07300	4.2
185.13197	3.9
187.11153	3.9
189.11226	23.1
189.12738	4.5
191.10651	7.1
193.12244	56.3
199.13261	9.0
203.14458	2.7
209.11703	5.7
211.11304	2.3
211.13255	52.8
219.13774	3.4
221.11705	2.8
223.13222	5.4
227.12790	29.2
229.14311	16.2
231.86206	2.6
239.12762	3.5
239.16325	2.5
241.14146	2.7
244.09259	2.2
245.19119	3.4
249.14783	3.5
267.15982	22.3
269.17538	3.9
273.18488	33.6
275.19922	5.3
283.15408	10.0
285.16989	37.2
289.18039	7.2
291.19534	58.2
301.16455	54.0
307.19040	4.1
308.19650	2.7
309.20538	7.6
347.21997	11.6
363.21619	3.6
365.23181	30.7
381.22665	4.0
383.24387	12.6
399.23868	15.7
409.26392	2.5
437.25198	3.3
439.26971	24.8
447.27280	11.4
461.29001	6.8
479.30096	14.7
507.33014	2.6
523.29028	4.4
539.33575	3.9
556.33350	2.9
557.34924	15.7
559.35797	4.9
573.33868	7.6
574.35144	4.5
575.35632	12.2
591.35333	30.8
609.36371	40.5
623.33551	3.9
738.35498	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	806.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.4
57.07082	3.5
57.35570	1.4
57.74032	1.3
61.02934	2.2
64.95811	1.1
65.03941	5.8
66.24371	1.3
67.05510	57.5
68.05842	2.4
69.03440	5.4
69.07072	18.0
69.85998	4.6
69.86414	2.6
70.06601	1.2
71.04993	4.4
72.29608	1.1
73.06551	2.5
75.00046	2.6
76.99746	5.0
79.05499	76.4
80.05862	1.9
81.03426	8.9
81.07063	68.6
82.07412	2.5
83.04992	14.0
83.08624	10.7
85.02910	2.9
85.06551	5.6
86.09702	2.8
88.07614	1.9
91.05489	67.1
92.05835	2.7
93.07052	66.9
94.07375	2.1
95.04980	16.9
95.08611	36.8
96.05360	1.5
97.02909	2.4
97.06533	8.7
97.10167	5.0
98.21411	1.6
99.08113	3.8
103.05459	1.7
104.99214	1.9
105.04530	2.6
105.07040	58.7
107.04968	10.3
107.08605	30.0
108.08910	1.4
109.06520	11.1
109.10168	14.7
111.08099	3.6
115.05405	2.7
117.07030	27.5
119.04852	1.3
119.08595	45.6
120.08966	1.6
121.06521	4.5
121.10165	15.3
123.08094	10.7
123.11733	4.0
125.00036	1.5
125.09649	3.9
127.07581	1.7
128.06235	2.5
129.07013	20.0
130.07762	2.3
131.08582	30.9
133.06502	2.2
133.10139	31.1
134.10550	1.4
135.08080	3.5
135.11728	6.8
137.09650	3.5
139.11105	1.6
141.06992	4.6
143.08557	13.1
145.06580	1.8
145.10133	30.4
146.10466	1.3
147.08046	4.4
147.11710	36.8
148.12032	1.4
149.02353	5.2
149.09651	5.8
149.13315	1.7
151.07581	1.4
151.11177	1.8
155.08551	3.7
156.09355	1.7
157.10153	8.1
159.08109	1.3
159.11722	19.7
161.09615	5.0
161.13281	11.1
163.11194	6.3
169.10159	6.2
171.11688	21.8
173.09514	1.7
173.13277	10.5
175.11261	3.1
175.14870	1.6
177.12732	2.0
181.12248	2.0
183.11742	4.9
184.07358	6.7
185.13315	2.6
187.11220	1.8
187.14709	1.7
189.11243	2.0
189.12790	8.2
193.04976	2.4
195.11729	1.9
195.26883	1.3
197.13289	4.7
202.45639	1.3
207.13802	16.6
213.16359	1.4
215.17978	2.1
223.24947	1.5
225.14783	1.3
227.12978	1.8
229.19551	4.9
239.17938	7.9
247.20651	1.3
249.10780	1.6
256.26340	2.2
257.19040	24.7
259.20618	2.8
273.18582	3.6
275.20074	24.1
276.20343	2.5
279.15921	1.7
281.17496	100.0
282.17810	4.0
291.19537	2.0
305.73291	1.3
311.17664	2.2
313.21924	1.4
331.22714	4.9
349.23792	6.0
355.65802	1.3
367.20303	2.8
385.21393	19.2
403.20694	4.2
434.85388	1.2
445.30881	1.6
452.75830	1.4
456.58926	1.3
493.27328	2.9
511.26309	8.5
527.37964	1.4
537.35791	11.0
555.36847	54.1
556.37054	1.6
573.37689	2.6
591.34503	68.2
592.35193	1.9
608.34363	2.0
608.43573	2.3
609.33813	22.8
626.44629	1.5
806.37311	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	805.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	15.5
57.07064	6.6
59.04996	4.5
61.02930	5.3
65.03940	6.6
67.05508	92.8
69.03426	8.8
69.07069	39.3
70.10678	4.7
70.11051	7.2
71.05006	6.0
79.05500	77.5
81.03400	8.4
81.07063	100.0
83.04984	8.8
83.08617	20.7
85.02896	5.6
85.06557	4.1
91.05486	78.0
91.49451	1.9
93.07048	77.7
95.04979	14.2
95.08611	60.5
97.02892	6.1
97.06519	15.0
97.10177	10.8
98.21472	2.8
99.08125	3.9
105.04539	3.2
105.07037	70.4
107.04953	8.8
107.08599	48.0
109.02850	2.4
109.06532	11.1
109.10162	31.7
109.47256	2.1
111.08088	6.1
115.05468	3.3
117.07027	34.1
119.08588	67.0
121.06530	5.2
121.10145	33.4
123.08087	10.1
123.11729	10.5
125.09650	8.9
127.07533	2.8
128.06235	7.3
129.07008	26.1
130.07805	3.2
131.08583	51.2
133.06483	3.5
133.10146	49.0
134.74902	2.4
135.08067	8.7
135.11688	21.4
137.09608	6.1
141.06999	5.6
142.07765	3.8
143.08565	23.6
145.10123	42.8
147.08049	2.6
147.11699	40.0
149.09590	11.5
149.13240	7.4
151.11221	5.3
155.08586	13.4
157.06474	2.6
157.10141	25.2
159.08092	2.8
159.11688	30.7
161.09578	4.6
161.13271	24.2
163.11192	8.4
163.14810	3.1
165.12759	4.9
167.07230	2.2
167.08568	6.7
168.09381	3.4
169.10114	20.5
171.07990	2.8
171.11719	25.2
173.09671	4.7
173.13245	19.1
175.11171	6.1
175.14841	7.0
177.12814	4.6
177.66710	2.6
181.10115	9.1
182.10980	3.3
183.11679	18.6
184.07310	3.1
185.09615	3.1
185.13280	18.2
187.11098	2.7
187.14796	11.1
189.12894	3.1
189.16469	2.8
193.10152	4.6
195.11723	9.7
197.13293	12.2
197.18074	2.4
199.11099	2.1
199.14862	11.3
201.16411	2.3
205.12288	2.8
207.11743	3.3
209.13316	10.2
211.14830	5.1
213.16446	4.6
215.17804	3.0
215.25369	2.3
221.13229	3.1
223.14902	6.4
225.16446	3.4
227.12683	2.9
227.18195	2.6
229.19511	2.6
231.17563	2.5
231.20772	2.4
235.14854	4.5
237.16335	3.6
239.18024	4.5
241.19466	14.7
247.20435	2.5
255.17317	2.9
257.19025	9.5
259.20599	26.1
273.18530	6.5
275.20117	38.4
277.21661	3.7
287.20221	3.7
291.19394	2.4
293.21078	6.7
295.20529	2.5
297.22501	3.5
301.21548	3.8
304.10953	2.3
315.23053	4.0
325.21704	2.7
329.24908	2.5
331.22916	2.7
333.24219	30.9
335.25876	3.9
349.23831	15.2
365.23203	3.1
367.24817	21.0
423.32806	3.2
477.74197	2.5
497.36475	4.8
501.36111	2.7
513.35883	10.5
515.37378	42.3
525.35248	4.1
527.37238	14.8
531.36176	3.2
533.39648	7.5
551.40723	8.7
555.37018	4.2
607.34296	3.3
607.43695	58.8
608.43665	4.7
625.44623	75.1
643.45776	19.5
751.48303	3.2
765.75128	2.7
805.50616	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	805.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.9
57.07071	3.0
57.33073	0.8
57.77926	0.8
65.03933	4.7
66.80250	0.8
67.05510	60.5
69.03427	3.1
69.07078	12.0
69.23020	4.1
69.23455	3.9
71.04991	3.1
71.07356	1.0
74.28331	0.9
77.03911	0.9
79.05498	48.2
81.03423	3.1
81.07061	78.8
83.04988	5.7
83.08639	8.6
85.02905	1.9
85.06549	9.2
86.09708	7.2
87.10084	0.9
91.05486	34.5
93.07050	40.2
93.07641	2.1
95.04974	44.0
95.08614	30.5
97.06528	5.1
97.10162	4.8
99.08070	1.3
103.05502	1.0
105.04507	2.4
105.07041	26.2
107.04961	9.8
107.08604	23.1
109.06523	60.2
109.10170	11.1
111.04438	4.9
111.08090	3.5
113.06010	18.2
115.05464	1.6
117.07021	15.0
119.04995	0.9
119.08591	21.2
121.06518	6.5
121.10156	13.0
123.08072	4.6
123.11691	2.2
124.99994	3.3
125.09631	2.6
128.06235	1.8
129.07013	7.1
130.07790	1.6
131.04967	0.9
131.08582	17.9
133.06502	2.8
133.10143	11.2
135.08067	29.9
135.11690	10.1
137.09628	3.0
141.06985	1.5
143.08595	7.8
145.06494	1.2
145.10143	15.0
147.08069	8.2
147.11639	5.6
149.09633	5.8
149.13269	3.7
151.11206	1.1
155.08591	1.8
157.10126	6.5
159.08046	2.6
159.11703	8.3
161.09628	8.8
161.13272	3.6
163.11221	4.6
165.09145	1.2
165.65076	0.9
167.08640	0.9
169.10126	3.3
171.11661	4.2
173.09644	1.2
173.13272	2.9
175.11197	3.2
177.12717	2.3
179.14249	1.1
181.10030	1.0
183.11729	1.7
184.07361	21.2
185.07616	2.5
185.11772	1.1
185.13313	3.4
187.11230	1.1
187.14833	1.4
189.12712	1.1
189.16335	1.2
191.10605	1.5
195.11801	1.1
195.36047	0.9
199.14885	2.5
211.14751	1.0
217.15860	6.8
227.12709	1.3
227.18042	1.9
233.15442	1.4
237.16484	1.2
245.19016	1.7
255.17471	4.1
261.22314	1.4
273.18509	32.1
275.20111	2.9
291.19559	100.0
292.19962	1.2
309.20782	1.9
310.36533	1.0
335.25818	70.9
336.26224	1.4
347.22147	12.6
349.24139	1.0
365.19162	1.3
365.23300	17.7
480.61914	0.9
567.40094	1.9
607.43536	15.3
625.44647	71.3
626.44580	2.2
805.53510	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	805.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.5
57.03695	1.4
57.07070	4.3
59.04990	1.5
61.02922	7.5
65.03928	2.6
67.05509	49.5
69.03426	3.6
69.06731	1.8
69.07071	23.1
71.04999	5.5
73.02908	2.7
73.06544	1.3
79.05495	35.1
79.47357	1.0
81.03421	4.1
81.07059	40.4
83.05006	6.4
83.08623	48.5
85.02920	9.7
85.06538	3.8
89.06036	1.2
90.01866	1.1
91.03947	2.9
91.04909	1.7
91.05486	37.3
93.07047	39.2
93.07645	2.0
95.04979	20.5
95.08613	36.0
97.02880	5.5
97.06528	5.2
97.10184	7.6
98.21526	2.5
99.04486	1.7
99.08096	2.9
101.37522	1.1
103.05488	2.0
105.07038	34.9
106.07281	1.0
107.04940	5.4
107.08599	21.8
109.06523	4.9
109.10166	21.1
111.04456	1.7
111.08099	5.8
113.09647	3.0
115.05493	1.7
117.07024	16.8
119.08591	26.5
121.03991	1.2
121.06490	4.5
121.10143	17.4
123.08093	4.9
123.11683	4.6
125.09653	4.2
127.03948	2.1
128.06232	2.9
129.07011	12.8
130.06680	1.4
130.07751	2.5
131.08575	27.8
133.06509	1.3
133.10132	21.5
135.08037	3.6
135.11703	10.3
137.09630	3.2
139.11179	2.7
141.07013	5.0
142.07764	2.4
143.08566	17.5
145.06454	1.5
145.10136	24.6
147.08052	2.9
147.11693	14.7
149.09624	7.6
149.13234	3.9
151.11215	1.5
153.08948	1.0
154.07869	1.3
155.08566	11.3
155.10579	2.0
157.10120	13.7
159.08133	2.2
159.11699	18.1
161.09602	2.5
161.13260	9.7
163.11176	9.4
163.14822	2.1
165.06982	1.2
165.12793	3.0
167.08633	4.3
169.10126	10.2
171.11656	13.3
172.12117	1.0
173.11880	2.0
173.13234	10.4
175.11224	2.5
175.14816	3.6
177.12796	2.2
179.08493	2.1
180.09221	1.7
181.10132	6.8
183.11707	9.5
185.09714	1.2
185.11668	2.9
185.13280	9.2
187.11232	2.7
187.14830	4.0
189.11250	2.8
189.12755	1.6
189.16463	1.5
193.10112	2.5
195.11739	7.2
197.13274	8.6
199.14873	6.2
201.16263	1.9
203.17863	1.1
205.12155	2.2
207.11696	2.0
209.13264	6.3
211.14862	6.0
213.12883	1.4
213.16469	2.5
215.14310	1.3
217.15936	3.4
221.13300	2.1
223.13057	7.3
223.15109	1.9
225.16327	1.3
227.12700	1.5
227.18036	1.7
229.14388	3.2
229.19568	2.6
231.17453	4.1
235.14919	1.7
237.16357	2.4
239.14223	1.4
239.17935	1.4
241.19466	5.8
245.19170	1.5
253.19627	1.3
257.19006	4.3
259.20621	14.2
267.21048	1.5
271.20560	1.6
273.18466	2.8
273.22095	1.2
275.20154	12.0
277.21686	1.9
287.20450	1.3
291.19443	1.5
293.21097	6.7
297.22296	1.2
299.23657	1.4
301.21683	2.3
309.22064	1.4
315.23291	3.3
323.23642	1.9
333.24261	15.9
335.25955	2.5
349.23782	7.6
351.24673	1.3
367.24811	7.8
369.27744	1.5
397.31326	1.8
405.31625	1.8
421.31134	2.4
423.32486	7.7
441.34073	1.3
461.33896	1.9
470.69254	1.2
478.08356	1.3
481.33066	1.7
495.34811	1.2
497.36258	21.0
499.34192	8.5
513.35626	3.5
515.38739	6.7
517.35199	9.3
529.35315	12.9
533.39502	4.5
539.81036	1.1
541.35181	2.6
543.36890	10.3
545.37872	2.0
551.40918	2.5
553.38611	1.3
557.38269	2.1
585.40936	1.2
607.43579	30.8
625.44666	100.0
626.44617	3.6
643.45953	19.0
769.47601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	14.8
57.07062	4.8
57.14179	1.6
60.08178	2.2
61.02900	2.5
65.03927	7.5
65.67115	1.5
67.05506	88.0
69.03411	6.0
69.06733	2.5
69.07070	35.8
69.20418	8.6
69.20847	6.2
71.01290	1.7
71.05000	8.3
71.08634	2.7
73.02907	2.4
77.03919	2.5
79.05496	84.6
81.03424	10.5
81.07057	83.0
82.07391	2.1
83.04988	11.9
83.08163	2.6
83.08627	41.3
85.02905	3.7
85.06530	5.5
86.09707	3.4
88.78689	1.5
91.05483	100.0
92.05796	2.7
93.07044	83.7
94.59690	1.5
95.04967	22.8
95.08610	62.2
97.02882	5.8
97.06544	11.8
97.10155	6.8
99.08064	3.9
103.05434	2.7
105.04537	3.0
105.07034	99.2
107.04951	20.7
107.08601	54.2
109.06531	9.3
109.10149	30.5
111.08101	10.0
113.06040	1.7
113.09628	2.4
115.05467	2.9
117.07013	34.8
119.08582	72.3
120.08874	2.3
121.06512	9.3
121.10137	40.0
123.08039	10.5
123.11689	7.5
124.99965	4.2
125.09611	6.2
127.03934	2.5
128.06204	4.7
129.05504	3.6
129.06982	19.8
130.07803	2.3
131.08569	48.8
133.06482	4.8
133.10133	57.2
135.08041	10.9
135.11685	23.0
137.09607	7.6
139.11174	3.1
141.06996	6.5
142.07756	3.9
143.08565	19.5
145.06409	3.8
145.10126	48.3
147.08067	3.6
147.11687	40.2
149.09596	31.2
149.13245	10.6
151.07478	2.3
151.11140	5.0
155.08588	8.6
156.09238	2.2
157.10133	20.7
159.08015	3.4
159.11693	32.3
161.09624	6.8
161.13255	27.8
163.11179	30.3
163.14847	4.7
165.12732	4.2
169.10130	11.0
171.11705	16.1
173.09630	4.4
173.13269	19.0
175.11160	6.6
175.14796	7.4
177.12747	7.3
179.08475	2.1
179.14247	3.6
181.10211	2.7
181.12135	1.8
183.10275	1.8
183.11679	8.8
184.07338	17.9
185.13293	7.9
187.11127	1.8
187.14830	4.4
189.12766	3.9
191.08580	1.6
193.10147	1.7
193.12338	2.3
195.11685	4.5
197.13205	6.8
199.14777	8.0
201.12750	2.3
205.12170	2.3
209.13234	2.8
211.14850	3.3
213.16425	4.4
215.14328	2.5
215.17961	2.1
217.19379	2.3
223.13200	4.2
229.19513	5.2
231.21045	3.5
237.12750	2.5
237.16411	2.4
239.18008	10.3
241.19510	24.6
257.19019	22.2
259.20575	45.1
273.18442	5.9
275.20071	78.5
276.20334	2.7
277.21484	6.8
291.19510	4.3
293.21054	7.7
301.21509	2.2
313.21609	3.8
315.23175	9.7
331.22690	3.2
333.24219	73.8
335.26004	8.1
339.22888	2.4
343.22531	2.4
347.22189	2.4
349.23788	42.7
351.25293	7.0
365.23126	5.3
367.24899	29.9
375.25131	3.4
423.32666	2.4
459.27383	2.1
497.35815	2.6
507.33316	1.8
513.35760	2.0
515.38190	2.7
533.39978	2.2
607.43604	21.6
625.44635	43.7
643.44995	6.0
667.45398	2.3
685.46716	2.1
721.47296	2.0
733.46234	7.6
751.48047	2.9
769.49280	2.0
781.85883	1.8
787.49402	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	804.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	36.1
59.05005	1.0
67.05512	3.6
69.03439	0.8
69.06721	0.9
69.07071	5.6
70.70403	0.6
70.70724	1.3
71.04993	1.1
71.08638	29.8
73.02926	0.9
73.06558	11.6
79.05484	3.1
81.07066	4.0
83.05019	0.7
83.08629	4.7
85.10191	18.6
86.09718	4.7
87.03945	0.6
87.04474	13.0
89.06039	100.0
91.05479	2.2
91.07611	1.2
93.07035	2.9
95.04970	0.7
95.08611	2.3
97.10187	4.7
99.11741	2.5
99.81607	0.6
105.07029	1.7
107.07086	2.0
107.08605	2.1
109.10188	1.6
111.11725	3.5
113.13294	1.2
117.09144	11.0
118.53770	0.5
119.08585	1.3
121.10180	1.1
125.00036	2.2
125.13303	2.2
127.14857	1.0
129.06998	0.7
130.08693	3.3
131.07042	3.5
131.08582	1.3
133.08617	53.5
133.10225	1.3
135.10181	1.6
137.09564	0.6
137.76584	0.7
139.14830	0.7
141.16399	1.1
146.98198	1.7
155.17955	1.2
160.19038	0.5
161.11778	3.3
161.12938	0.5
173.13187	0.7
175.09676	3.7
175.11089	0.5
177.11238	20.9
184.07349	11.4
197.22681	3.4
215.17625	0.6
219.12279	0.9
221.13902	4.2
239.14822	1.0
241.25308	2.5
265.16599	2.2
275.19928	0.7
283.17526	1.5
285.27936	7.4
309.19043	1.5
327.20523	1.1
329.30502	4.2
335.25842	0.9
353.21423	0.6
439.01035	0.6
441.27179	0.9
561.09491	0.7
591.35907	0.8
601.96722	0.6
610.45905	0.8
621.49005	0.9
745.48059	0.8
787.57568	3.0
804.61334	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	804.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.6
56.75194	0.1
57.03436	0.4
57.07054	0.3
58.06364	0.2
58.06627	0.5
59.04992	0.2
59.07386	0.2
60.08168	6.7
61.02925	0.1
65.03925	0.2
67.05185	0.2
67.05508	2.8
69.03428	0.2
69.07076	0.8
71.04983	0.4
71.07376	3.6
71.08609	0.2
79.05506	1.9
80.05797	0.2
81.03423	0.4
81.06597	0.2
81.07063	2.7
83.04962	0.3
83.08617	0.3
85.02903	0.4
85.06548	0.4
86.09709	32.8
87.04470	0.3
91.05481	1.6
93.07054	1.8
94.07361	0.2
95.04966	0.9
95.08613	1.6
97.02863	0.2
97.06518	0.4
97.10156	0.3
98.98470	3.9
99.08149	0.1
104.10750	2.9
105.07035	1.1
107.04962	0.3
107.08593	1.1
109.06521	0.7
109.10165	0.7
111.08036	0.1
113.06010	0.9
117.07001	0.7
118.07319	0.1
119.08594	1.0
121.06484	0.2
121.10154	0.6
123.08056	0.3
123.11745	0.2
125.00010	22.5
127.03952	0.2
128.06195	0.2
129.06998	0.2
131.08563	1.0
133.10110	0.8
135.08034	0.4
135.11714	0.3
137.09618	0.2
143.01044	0.3
143.08554	0.2
145.10120	0.5
147.08064	0.2
147.11682	0.3
149.09624	0.3
149.13181	0.1
151.11145	0.2
157.10150	0.3
159.11723	0.3
161.09656	0.2
161.13257	0.1
163.11246	0.3
166.02673	0.2
171.11719	0.2
173.09723	0.2
173.13326	0.3
175.14859	0.1
177.12671	0.2
184.07346	100.0
185.07692	0.5
185.13441	0.1
186.49652	0.1
197.13326	0.1
220.16896	0.3
229.37994	0.1
257.19135	0.2
273.18472	0.3
275.20078	0.9
276.20435	0.7
277.21576	0.2
289.18237	0.2
291.19604	0.7
335.25729	1.0
336.26184	0.5
349.23749	0.2
363.25354	0.2
365.23242	0.2
491.37378	0.5
496.34564	0.2
545.41974	0.2
607.43115	0.2
609.45441	0.2
610.45752	0.7
613.48865	0.7
625.44806	0.9
641.47284	0.2
642.48431	0.9
654.41473	1.1
768.51416	0.2
786.52753	1.1
804.53821	8.0
805.54053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	10.2
57.07060	1.0
59.04985	2.1
61.02906	2.1
61.17796	0.8
65.03935	1.7
67.05509	40.5
69.03439	5.4
69.07073	15.4
69.87968	2.9
70.06583	1.5
71.01333	2.2
71.04994	4.5
73.02914	1.7
77.03963	0.7
79.05495	40.3
81.03422	10.8
81.07059	71.0
82.07396	1.0
83.04989	13.9
83.08158	1.5
83.08624	24.0
84.08144	1.4
85.02902	4.4
85.06517	2.4
86.09711	1.0
91.05487	36.2
91.96946	0.7
92.05776	1.1
93.07047	33.6
95.01329	1.4
95.04974	17.8
95.08609	17.6
97.02892	6.7
97.06537	9.4
97.10169	21.2
99.00816	18.5
99.04457	2.9
99.08087	2.4
101.02409	1.0
103.05478	1.8
105.03411	1.2
105.04505	1.2
105.07036	33.0
107.04963	15.3
107.08597	27.7
109.02891	11.7
109.06539	10.5
109.10159	15.5
111.04450	13.2
111.08088	9.9
113.47392	0.8
115.03879	1.8
115.05479	1.8
117.07016	13.0
119.04963	1.4
119.08587	28.4
121.06515	12.7
121.10143	11.8
123.04418	2.5
123.08076	20.6
123.11711	2.2
125.06015	1.1
125.08771	1.2
125.09638	19.3
127.03883	2.8
128.06203	3.0
129.07019	8.0
130.07800	1.6
131.04965	1.1
131.08569	13.6
133.06490	5.2
133.10138	45.3
135.04405	0.8
135.08061	10.2
135.11682	9.3
137.05957	3.3
137.09622	6.3
139.07556	2.9
139.11153	2.2
141.06949	1.1
143.08575	12.5
143.10701	0.9
145.06467	2.8
145.10126	15.9
147.08064	10.5
147.11714	5.5
149.09602	6.6
149.13228	1.6
151.07597	1.1
151.11189	12.0
153.09145	4.1
153.12746	5.5
155.08525	2.1
157.10138	4.8
159.08041	2.5
159.11726	4.8
161.08305	1.6
161.09631	26.9
161.13213	1.2
163.11188	19.7
165.09106	5.2
169.10120	1.2
171.07924	3.7
171.10158	2.4
171.11687	3.7
173.09651	5.0
173.13287	1.5
175.11168	5.0
177.12712	2.7
179.10669	9.9
181.12263	7.0
185.09587	1.2
185.13278	1.6
187.11171	1.9
189.09116	8.4
189.11215	15.2
189.12756	1.4
191.10724	5.9
193.12306	3.7
197.11766	2.5
199.11226	1.2
203.14261	1.0
205.12276	1.1
207.10159	2.5
209.11705	1.3
211.13281	0.9
217.19331	0.9
223.13258	4.1
225.11255	11.4
227.12788	20.4
227.17911	1.7
229.14293	1.1
229.19250	0.8
233.15422	0.9
237.16460	1.0
243.12294	2.4
245.13750	0.9
245.19020	3.8
247.20566	1.0
249.14827	2.2
255.17439	3.0
263.19955	1.6
265.14374	0.8
267.15970	1.4
273.18506	34.7
275.20059	1.5
276.20392	1.9
281.13837	4.6
283.15411	6.4
291.19550	80.6
292.19992	1.5
299.14896	100.0
300.15259	1.4
309.17133	0.9
309.20605	12.0
347.22217	11.5
349.24100	1.2
365.23260	43.2
382.08035	1.0
383.24292	20.0
395.20776	0.9
434.27945	0.8
469.24417	4.3
507.26105	1.4
525.26758	3.2
543.33264	0.9
544.37115	1.1
553.31812	2.3
561.34344	3.1
571.32599	12.5
572.33423	0.9
589.33722	77.4
590.33789	1.3
607.34821	53.2
608.35004	1.6
624.43274	1.9
638.42633	1.0
642.44208	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	23.8
57.07073	2.7
61.02930	6.1
65.03959	7.3
67.05508	81.3
69.03430	8.6
69.07069	21.2
69.63162	8.5
71.04999	7.0
73.02926	3.9
73.31152	1.2
77.03928	2.2
79.05496	66.4
81.03424	13.3
81.07059	100.0
83.04994	8.7
83.08618	13.1
85.02898	8.2
85.06549	14.3
91.03970	3.0
91.05484	69.1
93.07044	61.0
93.07637	2.1
95.01361	3.1
95.04373	3.3
95.04975	52.2
95.08612	46.0
95.09075	1.0
97.02905	4.4
97.06544	11.0
97.10163	7.4
99.04466	2.6
99.08069	1.7
103.05479	3.7
105.04521	2.6
105.07035	63.7
106.07323	1.5
107.04963	19.2
107.08597	36.1
109.02861	3.3
109.06519	74.5
109.10151	13.9
111.04438	1.8
111.08083	6.3
113.06010	30.5
115.05450	5.4
117.07026	32.5
117.07850	1.8
119.08589	42.6
121.06512	12.5
121.10150	19.7
123.04453	2.9
123.08076	11.0
123.11666	2.3
125.09606	3.1
127.03926	1.6
128.06238	5.2
129.06995	18.3
130.07797	2.7
131.04932	2.3
131.08569	42.9
133.06488	6.2
133.10146	34.6
135.08067	39.0
135.11682	17.7
137.05975	2.2
137.09569	3.4
141.07004	6.2
142.07777	4.6
143.08572	20.2
144.09474	1.8
145.06490	5.7
145.10130	30.1
147.08051	7.8
147.11688	20.4
149.09641	10.0
149.13251	10.6
153.12900	1.7
154.07724	2.0
155.08551	6.5
157.10147	14.0
159.08081	4.9
159.11705	25.7
161.09618	9.3
161.13254	11.3
163.11191	5.5
167.08569	2.6
169.10110	9.8
171.11682	15.4
173.09657	3.8
173.13274	11.5
175.11186	4.7
175.14854	6.1
177.12784	5.6
180.09454	1.9
181.10121	5.5
181.94470	1.4
183.11687	6.6
185.13341	7.6
187.11148	7.4
187.14868	4.5
189.12790	2.1
189.16393	2.3
195.11745	3.5
195.13805	2.2
197.13281	5.0
199.14857	5.1
200.89133	1.4
201.12849	3.4
201.16356	3.2
207.11830	1.8
209.09785	1.9
209.13161	1.5
211.14816	6.3
213.12747	2.8
213.16411	2.5
215.17957	1.6
217.15894	12.2
221.15382	1.9
223.14915	1.6
226.85922	1.8
227.12730	2.9
227.17880	3.5
229.19370	2.9
231.21059	2.2
237.16400	3.0
239.17912	2.6
241.14369	2.3
241.19539	9.8
245.19017	1.6
255.17523	3.1
257.18994	5.6
259.20584	15.9
273.18521	26.0
273.21353	2.6
275.20068	14.0
277.22006	1.7
279.15863	13.9
291.19543	67.3
292.20093	1.7
315.23193	5.6
327.26752	4.2
333.24289	33.1
347.22168	6.5
349.23730	7.5
349.50885	1.7
365.23209	16.9
409.35510	1.6
419.29147	1.5
513.36005	4.0
531.37878	4.8
543.36865	3.7
549.39148	2.7
551.37781	1.5
565.38605	3.4
567.40106	1.5
595.43243	2.1
599.04413	1.7
605.42078	16.3
611.66028	1.6
623.43060	99.3
624.43091	2.8
641.44177	34.7
803.50085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.7
58.06612	0.4
60.08167	6.4
67.05499	0.8
69.07076	0.4
69.31262	1.1
69.31667	0.4
71.05022	0.2
71.07373	4.0
79.05489	0.7
81.03425	0.3
81.07047	0.7
83.08620	0.3
85.06535	0.2
86.09708	31.2
91.05477	0.6
93.07043	0.5
95.04987	0.2
95.08613	0.5
97.06506	0.3
97.10152	0.2
98.98464	3.5
104.10750	2.5
105.07027	0.5
107.08591	0.3
117.03465	0.2
117.07027	0.3
119.03089	0.2
119.08601	0.5
125.00005	21.4
131.08525	0.4
133.10094	0.3
137.89842	0.2
145.10097	0.2
147.11629	0.3
180.21471	0.2
184.07341	100.0
185.07756	0.6
205.19398	0.2
238.26208	0.2
267.68762	0.2
392.51083	0.2
433.32523	0.2
541.37982	0.2
802.52234	9.8
803.52002	0.4
829.56738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.4
57.07066	3.2
59.04987	1.4
60.95416	0.9
61.02932	9.9
65.03939	3.3
66.04739	1.0
67.05511	60.6
69.03439	11.0
69.07075	23.4
71.01359	1.8
71.04997	7.0
71.08624	1.1
73.02918	4.9
77.03935	1.9
78.98528	0.8
79.05501	55.6
81.03419	12.4
81.07062	100.0
83.04990	7.6
83.08164	1.2
83.08628	19.7
85.02908	12.8
85.06537	3.5
87.04433	1.0
87.27631	1.2
91.03967	4.8
91.05488	43.8
93.07049	37.5
95.04985	14.2
95.08611	34.3
97.02895	12.5
97.06534	11.1
97.10179	11.7
99.04470	3.4
99.08096	1.5
101.02364	1.1
103.05487	2.1
105.03410	1.4
105.04527	1.5
105.07037	41.2
107.04971	8.2
107.08598	26.1
109.02888	3.3
109.06527	34.3
109.10165	22.7
111.04436	5.6
111.08076	8.1
115.05453	2.7
116.06252	1.5
117.07030	23.4
119.04887	1.0
119.08587	31.1
121.06527	4.7
121.10142	15.2
123.08089	9.9
123.11703	2.8
125.09634	9.7
127.03925	4.0
128.06242	4.9
129.05498	2.3
129.07008	18.4
130.07825	1.0
131.04945	1.3
131.08575	27.5
133.06506	3.7
133.10136	19.9
133.79950	0.8
135.08075	5.8
135.11690	8.9
137.09633	5.0
137.13228	0.9
139.11176	1.8
141.06978	6.8
142.07779	3.9
143.08566	17.9
145.06532	5.2
145.10129	25.0
146.42131	1.0
147.08075	5.7
147.11696	12.0
149.09648	7.8
149.13272	4.1
151.11127	1.8
153.06970	1.8
153.09105	1.2
153.12709	2.6
154.07745	2.3
155.08551	11.8
156.09396	1.4
157.06459	2.0
157.10135	17.5
159.08087	3.8
159.11719	16.6
161.09645	5.7
161.13239	6.1
163.07515	1.3
163.11188	8.5
163.14786	0.8
165.07008	2.7
165.09111	1.3
165.12772	1.8
165.57507	0.9
166.07837	1.1
167.08574	6.3
168.09355	2.1
169.10149	14.3
169.12328	1.0
171.08080	2.9
171.10298	1.8
171.11693	12.8
173.04410	0.9
173.09621	4.0
173.11751	3.2
173.13274	8.2
175.11171	3.2
175.14809	3.6
177.09131	0.9
177.12718	2.8
179.08534	2.9
181.10115	7.7
181.12285	2.7
183.08037	1.4
183.11710	11.0
184.12115	1.0
185.09642	3.0
185.13245	10.7
187.11183	4.4
187.14847	3.0
189.11221	4.1
189.12762	2.2
189.16469	1.6
193.10150	3.4
193.12230	2.3
194.14929	0.9
195.08119	1.1
195.11732	7.2
195.13348	1.0
197.09569	2.1
197.13289	8.4
199.11205	3.3
199.14867	5.7
201.12733	2.4
201.16457	1.9
205.10326	1.5
205.12234	1.4
205.15689	0.9
207.11783	4.2
207.13629	1.1
207.37236	0.9
208.12553	0.9
209.13290	6.4
211.11298	0.9
211.14798	4.9
213.12828	2.8
213.16347	2.8
215.14285	1.1
219.11801	1.5
221.13239	2.6
221.15314	1.0
223.13028	1.2
223.14838	2.9
225.12845	1.7
225.16484	2.5
227.12724	7.5
227.14590	1.0
227.17935	1.5
229.14279	7.0
233.13283	1.7
235.14827	3.6
237.12775	1.4
237.16388	3.3
239.14264	1.9
239.18044	1.7
241.19560	2.7
247.14893	1.2
247.20416	1.4
251.18060	2.1
253.19597	2.0
255.17569	2.0
257.19162	4.2
259.20587	7.2
261.18622	1.1
265.19678	1.2
271.20502	3.3
273.18555	9.1
273.21548	1.4
275.17792	1.2
275.20160	9.4
277.21866	1.1
279.15942	0.9
281.17395	1.5
283.20547	1.5
285.22189	2.1
289.17932	1.3
291.19492	11.1
293.21231	1.7
297.18875	1.0
297.22046	2.2
301.21686	1.5
309.21930	1.7
311.20053	1.3
311.23581	1.4
313.21698	2.2
315.23233	2.1
323.20038	1.4
325.21698	1.3
327.23111	2.5
333.24481	5.8
339.23080	1.0
343.22797	1.1
347.22089	1.3
349.23904	5.8
351.22775	1.0
364.41675	0.9
365.23419	4.7
367.25018	1.1
377.28278	2.4
379.29956	1.5
381.27771	1.2
391.25201	1.2
395.29425	4.7
401.27557	1.2
403.25131	1.2
407.29446	1.7
419.28369	1.4
421.31134	1.1
431.28970	1.1
433.31110	1.3
445.30228	1.2
449.29901	1.0
451.32111	1.7
455.31409	1.1
469.32968	2.9
475.32861	1.0
481.32840	1.4
485.83591	0.9
487.33713	1.2
489.35501	2.1
494.00305	0.9
495.34702	2.0
497.35815	1.1
499.34143	9.7
501.35797	1.3
511.34332	0.9
513.35974	8.6
515.37329	1.6
517.35419	7.1
525.35754	3.2
527.37494	1.1
529.35211	1.7
531.38403	5.2
541.34906	3.8
543.36908	7.0
549.39032	3.9
553.35242	1.4
554.35895	1.0
555.36395	1.5
556.37231	1.3
567.40149	2.1
569.38361	2.1
571.36426	1.8
583.39673	1.3
595.44012	2.1
605.42041	14.6
623.43048	70.4
624.43176	2.9
641.44196	44.7
642.44269	1.9
665.43329	1.5
705.42218	1.8
731.43683	1.3
749.46350	1.1
767.47040	3.8
785.48462	6.5
803.49811	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	801.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	13.3
61.02928	8.9
65.03923	4.8
67.05508	90.1
69.03426	25.7
69.07075	39.1
70.06594	5.5
73.02917	8.5
79.05076	6.2
79.05500	87.0
81.03423	50.7
81.07062	100.0
83.04987	22.9
83.08629	37.9
85.02898	16.6
85.06540	4.1
86.09682	8.1
91.03950	5.1
91.05488	72.1
91.06365	3.7
93.07050	70.4
95.04979	55.1
95.08616	48.6
97.02899	24.9
97.06544	18.0
97.10184	26.3
99.04440	10.5
99.08128	5.1
105.04534	4.9
105.07042	64.8
107.04971	35.4
107.08601	54.8
109.02921	18.4
109.06544	30.7
109.10163	33.9
109.10797	6.1
110.80901	3.7
111.04456	15.5
111.08076	14.8
115.05463	5.6
115.08744	4.0
117.07026	33.4
119.04938	3.9
119.08591	63.0
121.06542	22.8
121.10149	25.7
123.04418	9.2
123.08068	14.2
123.11732	6.2
125.09666	22.2
127.03913	13.0
128.06212	8.2
129.07021	19.5
131.04965	6.1
131.08571	37.9
133.06485	11.8
133.10149	36.0
135.04355	4.6
135.08060	21.4
135.11700	11.6
136.07501	4.6
137.05948	4.5
137.09647	13.6
139.07530	4.2
141.06993	7.7
143.08559	19.4
145.06473	8.8
145.10097	43.2
147.08073	25.9
147.11670	17.5
149.09648	22.3
149.13280	5.9
151.11185	5.3
153.06970	3.5
153.09067	4.4
153.12680	4.5
155.08524	11.3
157.06441	5.9
157.10112	16.4
159.08087	10.6
159.11705	26.0
161.06001	5.7
161.09628	16.4
161.13242	6.2
163.11188	36.9
165.12743	5.9
167.08560	6.4
169.10115	10.7
171.11732	13.0
173.04550	6.9
173.09590	9.2
173.11792	4.6
173.13263	9.9
175.11162	11.4
177.12787	6.3
181.10143	8.7
181.12271	5.5
183.11719	9.4
184.07341	5.1
185.09627	6.6
185.13249	8.0
187.11217	8.5
189.09274	3.7
189.11212	14.5
189.12735	8.7
193.12259	8.4
197.09668	5.2
199.11162	5.0
201.12701	5.3
205.12332	8.8
209.13324	5.5
211.14900	6.5
215.14433	5.2
223.13229	18.6
227.12709	7.6
227.17906	4.7
229.14311	6.5
229.43307	6.2
245.19009	11.5
247.20474	5.1
255.17755	4.4
257.19128	8.0
273.18506	60.0
275.20078	56.0
291.19568	35.3
293.21085	15.4
329.21106	5.4
347.22379	20.3
349.23718	30.1
357.20792	4.1
365.23050	13.2
367.24835	11.5
399.21713	4.9
435.23331	5.4
491.26285	6.3
529.36932	5.0
565.37085	4.6
566.77985	4.6
621.40802	13.6
639.42560	95.7
657.43835	5.9
747.44458	9.0
765.45172	7.9
783.46143	16.3
801.48389	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	801.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.0
57.07071	2.2
59.04996	1.8
61.02924	7.3
63.55106	1.5
65.03938	4.6
67.05510	61.1
69.03430	12.7
69.06729	2.5
69.07073	30.2
73.02920	7.0
79.05495	62.2
81.03426	20.2
81.07062	94.1
82.07352	2.2
83.04993	10.9
83.08621	20.8
85.02919	14.4
85.06534	3.5
85.87959	1.7
86.09705	2.6
91.03961	5.7
91.05485	49.0
93.07045	46.0
95.04980	15.6
95.08611	36.6
97.02910	13.3
97.06538	8.8
97.10168	21.7
98.20795	6.3
99.04460	4.5
103.05453	3.3
105.04482	2.7
105.07035	46.4
107.04954	16.2
107.08601	30.7
109.02893	6.2
109.06532	25.2
109.10170	18.6
111.04459	4.1
111.08084	4.6
113.06044	1.7
115.05457	4.6
116.06232	2.8
117.07029	21.0
119.04928	1.6
119.08595	32.7
121.06522	6.3
121.10154	12.2
123.04417	2.6
123.08076	6.7
123.11697	3.0
125.06014	2.4
125.09631	16.4
127.03935	6.2
128.06224	5.9
129.07016	18.7
130.07784	2.9
131.04909	2.9
131.08575	26.1
133.06508	7.4
133.10152	19.9
135.08031	10.8
135.11700	9.2
137.09647	6.1
141.07014	8.4
142.07799	4.4
143.08565	20.2
144.09297	1.7
145.06496	5.5
145.10124	25.9
147.08047	8.1
147.11702	13.0
149.09637	8.0
149.13257	4.6
151.07593	2.1
151.11227	3.2
153.07016	2.4
154.07704	1.9
155.08551	14.8
156.09276	3.3
157.06570	2.5
157.10138	16.7
159.08063	7.2
159.11705	13.9
161.09624	7.1
161.13292	7.7
163.07512	3.4
163.11197	6.6
165.07045	2.0
166.07837	2.5
167.08557	5.3
169.10118	16.6
171.08044	4.7
171.11693	15.3
173.09677	3.2
173.11922	1.9
173.13249	9.5
175.11195	4.2
175.14879	2.2
177.12776	3.5
179.08571	4.1
180.09326	2.1
181.10146	7.7
181.12175	1.9
183.08109	2.7
183.11725	10.3
184.07373	3.9
185.09669	4.2
185.13174	9.4
187.11186	4.1
187.14888	3.4
189.09070	3.0
189.11234	8.6
189.12720	2.6
191.10544	2.1
193.10185	6.3
193.12231	6.1
195.07967	2.7
195.11615	8.4
197.09651	2.2
197.13268	7.4
199.11194	4.7
199.14819	6.3
201.12709	5.2
201.16426	2.3
203.14334	2.2
205.10106	3.0
207.11740	5.0
207.13773	1.7
209.13376	8.5
211.11304	3.8
211.14836	5.5
213.09122	2.1
213.12761	3.7
213.16447	2.8
215.14397	2.5
219.11787	3.6
221.13322	5.5
223.14977	4.0
225.12886	2.0
225.16269	3.5
227.12617	10.6
227.18056	2.2
231.11711	1.8
235.14909	4.0
237.16521	4.8
239.14374	2.8
239.18051	2.6
241.19647	4.3
253.15912	2.3
255.17401	2.4
257.18954	6.1
259.20566	6.4
261.18555	3.4
271.17001	3.0
273.18582	6.6
275.20187	10.3
285.22098	3.0
289.17947	8.5
291.19531	4.2
295.20447	3.1
297.22195	1.8
307.19214	2.4
311.20157	2.7
313.21762	2.8
325.21631	2.9
333.24277	2.8
347.22064	3.6
349.23694	3.0
363.21704	2.4
365.23376	4.4
375.26935	2.3
377.28546	3.7
381.22934	3.4
385.23532	2.0
459.27597	2.2
511.34521	6.9
513.35516	5.8
515.33478	1.8
527.30341	3.5
529.36005	7.8
539.33539	3.9
541.35010	7.0
547.37598	6.5
552.34320	3.4
553.34949	2.5
557.34430	6.3
565.38782	6.5
569.34686	4.2
570.35712	17.3
603.40204	4.1
621.41467	58.1
639.42572	100.0
640.42505	5.3
671.06720	2.0
747.45044	2.4
783.46692	9.5
801.48590	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	798.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
58.06326	0.1
58.06634	0.5
59.07407	0.2
60.08167	5.5
62.25484	0.1
67.05506	0.2
70.06625	0.1
71.07378	3.0
79.05486	0.1
81.07049	0.2
86.09710	27.2
87.10048	0.3
91.05475	0.1
93.07021	0.1
95.08587	0.1
98.98468	2.8
104.10752	2.1
107.08656	0.1
125.00011	19.5
127.00401	0.1
143.01070	0.1
184.07350	100.0
185.07710	1.1
186.07843	0.3
193.08080	0.1
197.10713	0.1
244.94980	0.1
517.89984	0.1
520.33276	0.1
556.15820	0.1
780.55371	6.8
781.54871	0.3
798.54852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79651	0.2
57.03447	2.0
57.07082	0.3
59.63480	0.2
61.02930	6.1
65.03928	0.4
67.05510	6.2
68.27137	0.2
69.03432	3.7
69.07067	2.0
71.01373	0.4
71.04996	0.7
71.11103	0.4
71.11435	0.3
71.59655	0.2
72.24727	0.2
73.02919	4.4
79.05492	2.5
81.03408	1.6
81.07060	6.1
83.05004	0.3
83.08631	0.8
85.02906	5.8
85.06538	0.3
86.09712	0.6
87.04479	0.3
91.03954	4.0
91.05490	1.7
93.07050	3.4
95.04973	0.3
95.08597	4.9
97.02895	5.4
97.06551	0.4
97.10178	0.3
99.04462	1.1
101.02374	2.3
103.03981	0.3
105.07059	1.0
107.08582	1.9
109.02886	0.8
109.10151	2.0
115.03969	0.3
117.07099	0.4
119.08602	0.7
121.10168	1.1
123.11763	0.8
127.03921	1.5
131.08649	0.5
133.10136	0.7
135.11736	0.6
145.04976	0.4
145.10153	0.4
147.11748	0.8
149.13225	0.3
159.11833	0.3
161.13345	0.5
163.14864	0.5
184.07355	2.3
185.04291	0.6
203.05345	0.7
229.52919	0.3
242.61760	0.3
242.81728	0.3
243.08321	1.7
248.05392	0.3
261.22192	0.4
274.79044	0.3
335.25934	0.5
337.27673	0.4
422.85223	0.3
519.29279	5.7
520.29797	0.3
521.30920	5.4
799.53278	100.0
800.53503	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	796.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90685	0.1
56.05036	0.8
58.06636	0.5
59.07405	0.2
59.50216	0.1
60.08166	6.3
61.93660	0.1
67.05497	0.1
68.35001	0.1
70.06588	0.2
70.97681	0.1
70.98008	0.1
71.07376	3.3
79.05489	0.2
80.97411	0.1
81.07056	0.2
86.09708	30.6
87.10042	0.3
93.07037	0.1
95.08598	0.1
98.98469	3.2
104.10746	2.3
105.07018	0.1
109.17574	0.1
125.00008	20.4
126.00328	0.1
137.00235	0.1
140.01030	0.1
143.01035	0.1
144.13858	0.1
166.02687	0.2
184.07347	100.0
185.07701	0.7
186.07790	0.1
325.39648	0.1
516.30347	0.2
778.53802	4.8
779.54205	0.1
796.53027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46807	0.2
57.03444	2.2
57.07083	0.3
60.08176	0.3
61.02930	6.1
65.03915	0.3
67.05508	6.7
69.03432	3.7
69.07070	1.7
71.01383	0.3
71.04996	0.6
71.13076	0.4
71.13394	0.2
73.02917	4.3
79.05497	3.9
80.41687	0.2
81.03417	2.1
81.07060	6.2
83.04971	0.3
83.08633	0.6
85.02908	7.3
86.09692	1.5
87.04488	0.4
91.03959	3.5
91.05488	2.2
93.07047	4.9
95.04998	0.4
95.08613	4.7
97.02893	5.2
97.06573	0.3
99.04475	0.8
101.02394	2.1
103.03973	0.6
105.04631	0.2
105.07031	1.4
107.08612	2.4
109.02898	0.7
109.10183	1.7
115.03884	0.5
117.07044	0.6
119.08583	0.8
121.10144	2.1
123.11713	0.6
125.00023	0.9
127.03911	1.6
131.08583	1.1
132.47751	0.2
133.10196	0.7
135.11728	1.0
137.13232	0.2
145.04980	0.4
145.10135	0.9
147.11647	0.3
149.13310	0.5
159.11717	0.4
161.13254	0.5
173.13295	0.4
184.07336	4.9
185.04280	0.7
185.07738	0.6
194.68080	0.2
203.05333	0.4
243.08418	2.3
331.04379	0.3
335.26001	0.7
519.29309	12.2
797.51727	100.0
798.52008	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	796.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.7
57.84197	0.1
58.06629	0.5
59.07407	0.2
60.08166	6.2
61.95132	0.1
67.05495	0.2
69.75491	0.3
70.06612	0.2
71.07376	3.6
74.10413	0.1
74.92332	0.1
79.05480	0.1
80.79654	0.1
80.97434	0.1
81.07059	0.1
86.09709	30.8
87.27368	0.1
91.05476	0.1
93.07037	0.1
95.08652	0.1
98.20850	0.2
98.40205	0.1
98.98470	3.5
104.10747	2.3
104.73777	0.1
105.07078	0.1
118.79080	0.1
125.00009	21.1
129.59824	0.1
143.01057	0.2
166.02603	0.1
174.76466	0.1
184.07346	100.0
185.07730	0.5
266.25635	0.1
516.30389	0.1
520.33789	0.1
547.79755	0.1
778.53839	6.2
779.52814	0.2
796.52924	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	796.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.7
58.06628	0.4
59.07386	0.2
60.08166	7.1
67.05498	0.2
70.06590	0.2
70.70102	0.3
71.07377	4.0
79.05510	0.1
79.41900	0.1
81.07053	0.3
86.09708	32.1
93.07024	0.1
95.08603	0.1
98.98466	3.6
104.10748	2.8
125.00009	22.5
143.01111	0.2
161.32741	0.1
166.02722	0.2
166.69653	0.1
176.33504	0.1
184.07347	100.0
185.07755	0.6
230.10652	0.1
447.72684	0.1
534.32495	0.1
574.24243	0.1
606.98279	0.1
617.93622	0.1
678.90234	0.1
778.54211	0.7
796.54816	5.7
797.53564	0.2
820.13428	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	794.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.8
58.06633	0.3
59.07394	0.2
60.08167	6.0
62.62123	0.1
63.94623	0.1
67.05508	0.2
69.07076	0.1
70.06572	0.1
70.77124	0.2
71.07376	3.7
79.05495	0.2
84.69276	0.1
86.09709	29.1
87.04488	0.2
87.10019	0.2
89.14618	0.1
93.07055	0.2
95.08602	0.2
95.46609	0.1
98.98464	3.0
104.10744	1.9
105.07048	0.1
119.08578	0.2
125.00011	19.6
135.41406	0.1
139.45184	0.1
143.01077	0.2
146.54651	0.1
166.02681	0.2
178.18231	0.1
184.07347	100.0
185.07675	0.7
404.70392	0.1
415.57532	0.1
440.98715	0.1
459.81064	0.1
516.30829	0.2
518.33453	0.1
577.50201	0.1
776.52283	4.4
794.51556	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	794.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	17.7
57.07084	7.8
59.04990	0.7
61.02924	4.9
65.03948	3.9
67.05508	96.6
69.03423	1.1
69.07070	36.2
71.04994	2.8
71.08638	3.0
77.03944	0.9
79.05495	43.5
81.03442	1.3
81.07059	100.0
82.07381	0.9
83.04993	1.7
83.08619	19.2
85.02907	4.9
85.06554	2.9
85.10188	1.1
86.09714	1.5
87.04473	2.0
91.03960	2.0
91.05484	27.7
93.07046	54.0
95.04977	3.3
95.08611	79.7
96.08971	0.7
97.02911	2.6
97.06528	5.4
97.10173	8.4
99.08101	2.9
105.04533	2.1
105.07035	21.0
107.07877	1.6
107.08599	30.5
109.06528	2.5
109.10162	33.0
111.08096	2.9
111.11710	2.2
113.09638	1.6
115.05493	0.8
117.07018	6.2
119.07818	0.5
119.08582	20.1
121.10154	28.3
123.08078	2.0
123.11712	14.5
125.09658	2.2
125.13242	0.7
129.07028	1.7
131.08578	11.1
133.10130	15.8
135.11699	17.2
137.09628	1.7
137.13254	5.1
143.08580	1.9
145.10127	9.5
147.11684	11.2
149.09680	1.3
149.13266	12.7
151.11151	0.9
151.14859	2.2
153.12712	0.8
157.10162	1.1
159.11717	8.3
161.13264	9.1
163.11105	1.1
163.14822	8.7
165.12827	1.2
165.16414	1.9
171.11801	1.2
173.13240	7.1
175.14825	5.7
177.16394	3.2
179.14355	0.9
180.37270	0.7
184.07365	4.1
185.13235	1.8
187.14827	3.0
189.16432	2.1
199.14847	1.4
201.16499	1.9
203.18018	1.2
205.19620	0.9
217.19601	1.1
219.21150	1.0
233.22630	1.6
241.19548	2.4
243.21106	7.8
245.22714	3.2
259.20599	6.5
260.88562	0.7
261.22177	20.5
262.22443	0.9
263.23651	4.7
277.21661	1.1
317.24878	5.0
319.26517	1.3
333.24246	4.8
335.25809	87.7
336.26141	2.1
337.27374	99.0
338.27692	1.7
339.29062	6.2
423.41620	0.8
450.97189	0.7
523.45013	2.9
531.40466	1.0
541.45953	1.8
545.41956	1.2
566.35754	0.8
597.48816	35.3
598.49066	1.2
615.49896	31.1
616.50000	1.9
683.34857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.3
61.02930	4.0
65.03948	0.5
67.05171	0.6
67.05503	5.4
69.03428	2.9
69.07063	2.4
70.06598	0.5
71.01344	0.3
71.05021	0.7
73.02920	3.2
79.05498	5.5
79.05921	0.5
81.03426	2.3
81.07064	6.0
83.04984	1.4
83.08632	1.3
84.08150	0.5
85.02905	3.5
85.03306	0.3
85.06561	0.8
86.09739	0.6
87.04429	0.5
91.03975	2.4
91.05484	4.7
93.07050	4.8
95.04979	1.8
95.08598	2.0
97.02902	3.0
97.06570	0.9
97.10164	1.5
99.04498	0.6
101.02399	1.6
103.03964	0.5
105.07030	3.3
105.07613	0.3
107.04950	0.6
107.08587	2.4
109.02909	0.9
109.06523	0.7
109.10149	2.0
111.04462	0.3
111.08106	0.4
113.89127	0.3
115.03964	0.3
117.07042	1.3
119.08592	2.5
121.06526	0.6
121.10146	0.9
121.66414	0.3
123.08075	0.6
123.11750	0.3
125.09661	0.8
126.18917	0.3
127.03929	1.7
129.07040	1.1
131.08609	0.9
133.10175	1.4
135.08076	0.6
135.11763	0.8
138.95877	0.3
143.08568	0.9
145.05029	0.5
145.10159	0.9
147.11679	2.7
149.13292	0.5
157.10251	0.3
159.08046	0.3
159.11752	0.9
161.09587	0.4
161.13284	0.5
163.11182	0.6
171.10501	0.3
171.11661	1.8
173.11781	0.4
181.12366	0.3
184.07393	1.0
185.04247	0.6
189.11313	0.3
189.12825	0.3
203.05276	0.6
207.13785	0.6
229.14529	0.4
237.14998	0.3
243.08344	3.2
247.13249	1.2
281.17572	0.7
303.15778	0.6
351.21396	2.8
352.54425	0.3
407.24338	0.7
465.20935	11.3
466.21622	0.4
471.22107	0.8
499.21927	0.4
529.27753	0.4
569.29370	5.9
631.38623	0.5
793.43451	100.0
794.43811	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05512	14.6
57.03196	0.8
57.03440	10.6
57.07063	2.6
61.02921	2.6
62.67910	0.6
65.03934	3.4
66.11306	0.6
67.05508	67.5
69.03432	1.6
69.06734	1.1
69.07072	14.5
71.04977	1.8
71.08633	0.9
71.17671	1.3
73.02915	1.1
79.05495	40.3
81.03419	0.8
81.07059	65.6
83.04988	1.1
83.08623	7.5
85.02886	2.7
85.06548	1.6
86.09686	0.7
91.03948	1.3
91.04906	1.0
91.05483	25.3
93.07046	52.1
94.29920	0.6
95.04970	2.9
95.08608	50.7
97.02898	1.3
97.06526	2.3
97.10187	3.2
99.08127	1.6
102.47225	0.6
105.04524	1.8
105.07032	18.1
107.08598	28.5
109.06531	2.0
109.10159	22.3
111.08086	1.3
114.73987	0.6
115.05442	0.8
117.07018	6.3
119.07764	0.6
119.08588	16.8
121.10149	21.0
123.08062	1.3
123.11700	7.4
125.09622	0.8
125.11028	0.7
129.07018	1.9
131.08572	12.5
133.10138	14.6
135.11700	15.2
137.09641	1.3
137.13252	2.9
143.08553	2.1
145.10121	10.9
147.11700	10.2
149.13264	7.9
157.10155	2.5
159.11708	8.4
161.13260	7.4
163.11169	0.7
163.14836	4.7
171.11697	2.2
173.13290	6.9
175.14862	3.2
177.16405	1.4
184.07365	3.3
185.13268	2.5
187.13347	0.7
187.14803	3.6
189.16512	1.0
199.14760	1.8
201.16449	1.2
215.17946	1.2
217.19595	0.7
241.19684	3.1
243.21071	5.3
259.20609	7.6
261.22137	18.4
263.23743	1.3
315.23358	1.4
317.24683	4.6
333.24210	6.6
335.25806	100.0
336.26309	1.2
337.23807	0.9
337.27408	10.5
521.43231	2.0
539.44812	1.1
586.00580	0.7
595.47131	12.2
613.48297	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	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05511	18.4
56.81190	0.5
56.95721	0.5
57.03163	0.6
57.03438	11.4
57.07072	3.1
61.02924	3.0
64.62227	0.4
65.03945	2.7
67.05505	63.8
69.03418	1.6
69.07068	15.5
70.77561	0.9
71.05009	2.6
71.08627	0.5
73.02914	1.0
77.03899	0.9
79.05493	37.4
80.12909	0.6
81.03435	1.0
81.07055	64.4
83.04986	1.8
83.08155	0.7
83.08617	8.3
85.02890	2.3
85.06529	1.8
91.03955	1.3
91.05479	22.5
93.07043	47.4
95.04974	4.2
95.08606	52.7
96.08951	0.6
97.02876	1.9
97.06522	2.1
97.10175	3.0
99.08084	1.4
103.05434	0.9
105.04501	1.8
105.07034	18.0
107.08597	23.3
109.02893	0.6
109.06500	1.3
109.10159	22.4
111.08073	0.9
117.07005	6.3
119.08579	15.8
121.06503	0.5
121.10143	22.0
123.08033	1.0
123.10828	0.7
123.11714	9.2
125.09614	1.2
129.05424	0.8
129.06987	1.8
130.07832	0.6
131.08557	11.0
133.10135	14.7
135.08064	0.8
135.11690	15.8
137.09624	0.9
137.13268	3.0
139.11244	0.8
141.06934	0.7
143.08560	1.3
145.10123	9.4
147.10655	0.8
147.11693	8.9
149.09633	0.9
149.13255	8.9
151.11108	0.6
151.14815	0.8
157.10132	1.9
159.11693	10.5
161.13246	7.7
163.11256	0.6
163.14827	5.0
165.12686	1.0
165.16389	0.6
169.10054	0.8
171.11717	2.2
173.13264	8.9
175.14819	3.3
177.12668	0.7
177.16406	1.5
183.11705	0.6
185.13228	2.1
187.14816	4.7
189.16368	0.9
199.14857	1.9
201.16396	2.1
205.15985	0.7
213.16461	0.7
227.18047	0.6
231.20999	1.0
233.22729	0.9
234.78102	0.5
241.19563	2.8
243.21014	4.6
257.19025	0.7
259.20560	7.2
261.22150	17.2
263.23593	1.6
275.23407	0.6
277.21399	0.6
287.23709	0.8
299.23343	0.7
317.24686	2.8
333.24255	5.2
335.25787	100.0
336.26151	2.2
337.27344	9.9
375.39835	0.5
451.35696	0.7
465.37317	0.5
503.36646	0.6
503.43088	0.7
517.38745	0.8
521.43500	2.7
539.44183	0.6
543.40619	0.8
590.99921	0.5
595.47211	14.4
613.48340	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	792.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	9.7
55.05270	2.2
55.05514	33.4
56.07096	1.4
57.03443	22.2
57.07085	1.7
59.04998	3.9
59.69144	1.6
61.02925	3.9
65.03924	3.7
67.05506	100.0
68.15903	1.5
69.03429	9.5
69.06722	2.8
69.07066	27.6
70.06598	9.6
71.04984	9.7
71.52445	2.4
72.08146	2.3
73.02914	2.5
79.05495	55.3
81.03419	85.4
81.07059	80.6
83.04990	19.5
83.08616	44.8
83.09112	1.5
84.08124	5.6
85.02911	28.3
85.06540	6.0
85.42722	1.8
86.09699	6.6
91.05482	59.2
93.06483	3.0
93.07046	48.2
95.04975	39.3
95.08611	34.5
96.82892	1.8
97.02881	6.8
97.06524	12.8
97.10186	16.6
99.08089	3.9
103.05468	2.9
105.07030	44.0
107.04959	13.9
107.08600	41.0
109.06512	13.3
109.10158	50.6
111.04403	2.8
111.08070	21.8
113.05965	3.7
115.05466	3.5
117.07026	9.3
119.08579	42.6
119.09372	3.4
120.08085	2.2
121.06490	6.9
121.10131	25.6
123.08059	6.6
123.11702	5.2
125.05951	2.8
125.09612	11.8
127.03918	2.2
128.06204	2.2
129.07019	17.4
129.10223	3.1
131.08559	24.1
133.06464	5.1
133.10135	32.9
135.08060	5.5
135.11673	7.9
137.09604	7.2
139.07549	1.9
141.07048	1.9
142.07774	3.7
143.08597	3.8
145.10117	14.5
147.08038	6.2
147.11688	29.4
149.09613	17.3
149.13272	7.8
151.11168	2.1
154.15468	1.4
155.08557	2.5
155.10701	3.8
157.08946	2.8
157.10132	21.8
159.11714	11.9
161.09610	2.1
161.13301	2.3
163.11182	6.8
163.20505	1.5
165.12773	8.0
169.10098	2.2
173.11737	13.0
173.13179	4.0
175.11205	24.3
177.12714	2.3
177.72139	1.8
181.12212	2.2
184.07346	4.0
187.11230	1.8
189.11250	3.9
193.12248	54.8
195.13791	2.2
197.13351	1.9
203.14011	1.8
211.13304	62.4
227.12822	11.9
229.14337	27.9
239.17810	3.3
257.19016	7.0
267.13077	2.2
267.15948	40.7
269.17468	21.9
269.70093	1.6
275.20047	33.7
285.16971	68.0
291.19739	2.3
293.21005	5.8
303.75653	1.6
349.23785	27.9
367.24768	14.3
382.49316	1.7
421.25842	20.1
437.24368	1.5
439.26920	96.6
440.26990	2.7
443.28143	1.8
455.26498	2.5
461.28925	23.3
479.30048	76.9
480.30280	2.5
541.35175	27.7
559.36285	57.6
577.37506	27.1
583.31104	3.4
623.33844	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	791.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.05517	2.2
57.03436	2.7
57.07079	4.0
61.02931	6.4
65.03939	0.4
67.05508	7.9
69.03436	3.9
69.07070	3.1
69.37232	2.6
71.04990	3.4
71.08624	3.0
72.08973	0.8
73.02922	4.6
73.06573	1.0
79.05499	4.7
81.03423	3.1
81.07059	7.5
83.04974	0.7
83.08635	1.6
85.02911	7.0
85.03387	0.6
85.10201	1.8
86.09723	1.2
87.04466	2.4
89.06035	12.2
90.06374	0.8
91.03952	3.3
91.05485	3.9
93.07047	5.2
95.04988	0.8
95.08614	4.9
97.02901	5.8
97.06538	0.8
97.10196	0.8
98.21520	0.5
99.04466	1.4
101.02405	1.8
103.03976	0.6
105.07026	1.9
107.04970	1.0
107.08593	3.2
109.02904	1.0
109.06512	0.4
109.10139	1.8
111.04485	0.6
111.11730	0.5
113.64251	0.4
115.03946	0.7
115.85218	0.4
117.07040	1.6
117.09161	1.1
119.07899	0.4
119.08605	2.0
121.10172	2.7
123.08081	0.4
125.00030	0.9
125.09723	0.5
127.03947	1.5
129.07030	0.6
130.08627	0.6
131.07104	0.6
131.08592	1.5
133.08604	6.1
133.10184	1.6
134.08972	0.8
135.11690	2.1
145.10107	1.9
147.11734	1.3
149.09668	0.5
149.13300	0.7
153.12726	0.4
158.76019	0.3
159.11732	0.6
161.13243	0.5
163.11185	0.8
171.27028	0.3
173.09595	0.7
173.13313	0.9
177.11235	2.5
178.11571	0.7
184.07349	3.7
185.04288	1.0
185.07785	0.6
203.05276	0.6
221.13861	0.5
227.12769	0.4
242.11955	0.3
243.08437	3.6
261.22232	0.4
271.26349	0.6
272.26929	0.4
275.19913	0.8
295.15179	3.8
300.24319	0.3
335.25937	1.1
336.26178	0.5
337.27448	1.0
349.23779	0.6
351.17841	0.6
392.50717	0.4
513.23187	4.2
519.29376	8.3
520.29968	0.6
611.46973	0.8
727.46600	0.4
727.88202	0.4
774.55225	0.7
791.45532	100.0
792.45746	4.5
798.11304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	16.7
55.05281	2.4
55.05519	37.0
57.03448	13.2
61.02909	3.2
63.88925	1.9
65.03951	3.3
66.29955	1.9
67.05511	64.1
69.03438	12.1
69.07073	26.5
69.93011	4.4
69.93394	9.2
70.06613	9.8
71.04992	10.2
72.08157	3.4
79.02769	2.3
79.05499	80.0
81.03424	21.1
81.07063	100.0
83.04985	23.5
83.08640	20.4
84.08146	4.7
85.02902	11.9
85.06540	4.3
86.09689	12.0
87.04471	7.1
91.03930	2.9
91.05490	54.8
93.07052	75.6
95.04973	21.1
95.08617	29.4
97.02885	7.1
97.06534	13.4
97.10177	25.9
99.04446	5.6
99.08098	6.2
105.04532	2.5
105.07037	40.7
107.04958	22.7
107.08607	44.8
109.06527	13.4
109.10180	20.8
110.07162	2.1
111.04469	20.6
111.08088	12.2
115.03917	4.7
117.07027	16.9
119.08595	34.0
121.06517	14.4
121.10154	96.0
123.08081	30.6
124.48009	2.4
125.00020	8.1
125.05977	4.1
125.09651	28.4
129.06999	10.2
129.10306	3.5
131.08580	39.3
133.06485	7.9
133.10139	22.9
135.08078	12.0
135.11740	12.2
136.06258	2.6
137.09586	8.2
138.93143	1.9
139.11182	5.4
141.06941	2.0
142.07770	2.7
143.08565	7.4
145.06491	3.2
145.10106	18.0
147.08018	13.0
147.11688	8.7
149.09628	42.8
149.13272	5.8
151.11237	2.5
153.09145	3.7
153.12776	5.5
155.08516	3.7
156.23660	2.3
157.10104	5.0
159.08029	7.5
159.11710	9.4
161.09613	12.4
163.11194	21.8
165.09145	10.2
167.10693	20.9
171.11722	3.5
173.09634	4.5
173.11716	2.5
173.13223	2.6
175.11165	7.1
177.09093	5.4
177.12737	4.6
179.10695	2.3
181.12244	9.3
184.07359	26.1
185.11708	6.1
185.13190	3.3
187.11102	2.4
189.11200	19.1
189.12727	2.9
191.10631	5.6
193.12215	6.5
195.10118	6.2
205.12311	2.1
211.13213	2.7
213.11171	2.7
223.13298	4.4
227.10762	3.4
227.12798	22.1
227.18002	3.3
241.14328	2.6
245.18951	5.2
249.14690	3.0
251.12752	3.2
253.14342	3.0
255.17635	3.8
267.15851	2.7
269.13882	6.7
271.15335	5.0
273.18469	45.8
283.15369	5.3
287.14908	92.4
291.19568	91.0
292.19891	2.3
309.20581	15.3
347.22299	14.9
365.23270	53.2
383.24405	26.0
457.24210	3.4
495.26251	2.2
531.33563	2.7
549.34137	6.3
559.32477	12.0
577.33771	72.2
578.34003	2.6
595.26215	3.5
595.34894	53.6
596.34674	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	791.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05527	2.8
57.03445	1.9
57.07082	0.5
59.04994	0.5
61.02937	3.0
65.03962	0.3
67.05513	5.4
69.03440	2.8
69.07071	3.0
70.06591	1.0
70.65305	1.0
70.65679	0.4
71.04997	0.5
73.02925	2.4
75.35593	0.4
79.05501	5.8
81.03429	3.1
81.07072	6.5
83.04996	1.6
83.08633	1.3
85.02908	3.3
85.06525	0.5
86.09718	2.2
87.04469	0.4
91.03965	1.9
91.05476	5.4
93.07060	5.1
94.07397	0.5
95.04979	2.9
95.08623	2.9
97.02919	3.3
97.06548	1.4
97.10197	1.6
97.65019	0.4
99.04486	1.1
99.08075	0.4
100.91597	0.3
101.02358	1.7
105.07047	3.4
106.07368	0.4
107.04950	0.5
107.08594	2.7
108.08943	0.4
109.02879	0.6
109.06514	1.3
109.10175	1.3
111.04491	0.6
111.08115	0.7
117.07037	1.7
119.04966	0.4
119.08616	2.6
120.08929	0.4
121.06551	1.1
121.10181	1.7
123.08078	1.7
124.99984	0.6
125.06026	1.0
125.09664	1.6
127.03947	1.1
129.05513	0.8
129.07028	1.7
131.08589	1.3
131.68248	0.3
133.06514	0.4
133.10168	2.0
135.08113	0.9
135.11731	1.2
137.09650	0.8
143.08580	1.0
145.10176	1.1
147.08060	0.7
147.11720	2.1
149.09711	0.7
149.13284	0.5
157.10115	0.5
161.09689	0.6
161.13290	0.6
163.11234	1.2
171.11765	1.3
173.09589	0.5
173.11795	0.4
175.11243	0.4
181.12291	1.1
184.07314	3.1
185.04253	0.6
185.07779	0.4
189.11272	0.4
189.12817	0.4
193.12308	0.7
207.13812	0.5
223.13310	0.4
227.12711	0.4
243.08392	2.3
247.13135	0.7
269.17459	0.4
291.19467	0.6
301.08932	0.6
301.16666	0.7
338.38010	0.4
349.19995	1.8
383.17142	0.4
465.21036	9.6
466.22272	0.4
470.99225	0.4
481.20682	0.4
495.22406	0.6
537.23431	0.5
551.99280	0.4
567.27679	4.9
576.36615	0.5
594.37811	0.4
607.31128	0.6
675.33527	0.6
791.41901	100.0
792.42419	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	790.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
55.05517	0.7
56.05042	0.8
57.03442	0.1
57.07068	0.2
58.06619	0.5
60.08170	6.5
60.69001	0.1
65.03941	0.1
67.05521	1.7
68.05842	0.1
69.07084	0.6
69.79536	0.5
71.07383	3.2
73.02966	0.1
79.05499	1.4
80.05808	0.2
81.03424	0.1
81.07059	1.6
82.07391	0.2
83.04974	0.3
83.08667	0.1
86.09714	30.7
87.10038	0.2
91.05485	0.9
92.05835	0.2
93.07055	1.4
94.07410	0.2
95.04964	0.2
95.08616	0.9
96.08953	0.1
97.06530	1.3
97.10152	0.1
98.06860	0.1
98.21437	0.1
98.98473	3.5
104.10752	2.7
105.07048	1.2
106.07400	0.2
107.04975	0.3
107.08604	1.0
109.06505	0.1
109.10173	0.5
117.07043	0.5
119.08598	0.8
121.06516	0.1
121.10165	0.5
123.11752	0.1
125.00018	20.7
125.09690	0.2
129.07001	0.1
131.08580	0.4
133.10139	0.6
134.10454	0.1
135.11702	0.1
143.01059	0.1
145.10127	0.3
145.80864	0.1
147.11722	0.3
149.09674	0.3
151.57610	0.1
157.10162	0.1
159.11778	0.2
166.02650	0.1
171.11801	0.2
173.13396	0.1
184.07358	100.0
185.07771	1.0
186.07854	0.2
257.19034	0.2
275.20111	1.7
275.23160	0.2
276.20407	0.9
293.21246	0.1
335.25784	1.0
336.26147	1.0
349.23834	0.5
350.24066	0.5
607.62256	0.1
609.45111	0.5
610.45532	2.7
650.44037	0.4
690.47107	2.2
772.54608	1.2
790.56000	4.6
791.56189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
55.05513	22.2
57.03446	11.9
57.07060	4.2
59.05001	2.5
59.87750	1.6
60.08172	2.0
60.79703	1.6
61.02927	2.0
65.03929	3.9
65.25687	1.7
67.05508	100.0
69.03429	9.7
69.07079	15.7
71.04984	14.2
79.05069	2.8
79.05498	41.6
81.03429	20.1
81.06593	3.4
81.07062	56.7
82.07361	2.0
83.04987	12.3
83.08639	8.5
85.02885	3.5
85.06533	5.5
86.09717	4.6
89.06010	2.0
91.05486	26.1
93.06492	3.5
93.07048	49.6
95.04958	7.1
95.08614	41.2
97.02891	6.6
97.06523	7.8
97.10167	1.9
98.20804	4.8
99.04463	3.5
99.08048	1.8
105.07029	15.2
106.07407	2.0
107.04931	3.7
107.08598	28.2
109.02921	4.1
109.06523	3.1
109.10162	71.9
110.10484	2.3
111.04435	4.8
111.08100	4.8
117.07027	8.2
119.08596	18.3
121.10134	21.2
123.11740	4.0
124.99977	4.8
125.09600	3.5
127.03919	5.3
129.05476	4.4
129.07007	2.7
131.08571	11.1
133.10123	9.5
135.08052	2.3
135.11690	15.2
137.09616	6.9
143.08566	2.2
145.10094	11.6
147.11714	4.3
149.13226	5.2
155.10637	3.3
157.10138	2.0
159.11690	4.3
161.09564	2.1
161.13225	5.0
163.11185	5.4
173.04459	5.8
173.11757	6.3
173.13167	2.4
181.12206	3.9
184.07367	18.7
189.67667	1.7
194.41066	1.7
197.13252	1.9
227.12805	2.0
229.14159	9.2
243.20976	2.0
255.15981	3.5
259.20844	2.3
261.22058	3.8
275.20108	4.8
287.18600	3.1
293.21057	1.9
335.25821	46.0
336.26166	4.9
349.23627	2.3
373.18600	2.7
399.20325	4.6
431.22687	10.2
489.35748	59.5
515.37488	23.4
547.39966	62.6
574.77460	2.0
610.45123	7.5
628.46863	2.5
633.39777	11.2
641.40033	3.0
659.40936	6.5
677.42682	4.5
691.44250	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
55.05515	2.8
56.05013	0.8
57.03410	1.0
58.06587	0.7
60.08167	6.0
60.08453	0.8
65.03926	0.7
67.05509	8.6
68.05818	0.7
69.03443	1.7
69.07072	2.3
69.15466	1.5
69.15887	2.5
71.04963	1.3
71.07375	3.5
79.05497	5.5
81.03418	3.0
81.07056	7.7
82.07373	0.4
83.04958	1.5
83.08630	2.7
85.02869	1.1
85.06528	0.5
86.09709	29.2
91.05481	4.5
92.05779	0.6
92.70835	0.4
93.07053	6.6
95.04980	2.3
95.08612	5.4
96.08891	0.4
97.02876	1.1
97.06515	0.7
97.10142	1.2
98.20707	0.8
98.98473	3.1
99.08100	0.6
104.10752	3.2
105.07044	2.7
106.07330	0.6
107.04949	1.0
107.08009	0.4
107.08604	3.9
109.02834	0.4
109.06545	0.6
109.10158	4.9
111.04444	0.6
111.08117	0.5
117.07005	1.0
119.08594	3.3
121.10142	2.5
122.10494	0.6
123.08025	0.5
123.11671	0.7
125.00014	20.3
125.09647	0.8
125.56615	0.4
127.03826	0.5
129.05490	0.4
129.07010	0.7
131.08618	1.7
132.08922	0.4
133.10143	2.1
134.10506	0.4
135.08044	0.5
135.11667	1.3
137.05923	0.4
137.09592	0.9
145.10133	1.9
147.08072	0.5
147.11729	1.8
149.09625	1.2
149.13243	0.6
150.09917	0.5
157.10115	0.5
159.11639	1.3
163.11278	1.0
164.11488	0.5
165.72635	0.4
166.02646	0.5
169.10075	0.5
171.11749	0.4
173.04561	0.5
173.11844	0.6
173.13228	0.6
175.11113	0.5
184.07344	100.0
191.14247	0.4
193.12262	1.1
211.13290	1.1
222.04689	0.3
224.13715	0.5
251.39920	0.3
257.18954	0.4
261.22189	0.5
267.16013	0.7
275.20071	2.2
276.20428	1.4
285.17108	0.5
293.21152	1.1
335.25885	2.8
336.26224	1.4
337.27478	1.9
349.23660	1.0
350.24020	0.5
488.56921	0.4
489.35928	2.0
515.37299	1.2
529.38928	0.7
547.40021	5.9
610.45630	1.9
611.46619	0.4
628.46692	3.4
671.48993	0.4
691.44196	1.4
729.99280	0.5
772.51416	1.5
790.52325	14.0
806.12842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01632	1.4
55.01876	15.9
55.05514	37.3
57.03197	1.5
57.03440	17.7
59.05000	2.2
59.84069	1.2
61.02923	2.8
64.17767	1.0
65.03936	3.6
67.05508	51.0
69.03153	1.0
69.03438	10.3
69.07069	23.2
69.78920	5.6
70.06590	2.2
71.04652	1.2
71.04990	7.7
74.07720	1.0
77.49160	1.2
79.05025	1.6
79.05493	55.1
81.03421	74.7
81.07059	100.0
83.04493	1.6
83.04986	27.2
83.08619	37.9
84.08150	1.4
85.02908	30.0
85.06529	4.3
86.09720	1.8
87.04449	1.3
91.05483	59.7
93.07047	45.7
93.07640	2.3
95.01379	1.1
95.04372	2.3
95.04973	41.6
95.08604	28.7
97.02898	5.2
97.06535	13.0
97.10173	33.3
99.04449	3.2
99.08088	4.0
103.05495	1.8
105.07036	44.7
107.04293	1.7
107.04960	18.1
107.07870	1.9
107.08593	27.9
109.06513	16.4
109.10158	14.3
111.04452	16.4
111.08089	17.6
113.05990	1.7
114.89150	1.0
115.05455	3.8
116.06172	1.1
117.07025	15.4
119.04929	2.8
119.08591	38.9
121.06506	8.7
121.10149	22.7
123.04416	2.2
123.07192	2.2
123.08067	29.6
123.11714	2.9
125.05951	1.2
125.09628	25.9
127.07439	1.3
128.06189	2.0
129.07004	16.2
130.07719	1.1
131.08574	26.0
132.05641	1.3
133.06487	7.8
133.10126	21.1
135.08057	11.0
135.11707	11.1
135.72778	1.2
137.09615	7.6
139.11182	2.2
141.06964	1.6
142.07748	3.9
143.08571	9.2
143.10632	1.2
143.31406	1.2
145.06458	3.3
145.10126	17.8
147.08049	16.3
147.11691	22.2
149.09633	14.8
149.13287	1.9
151.07497	1.8
151.11174	1.2
152.56630	1.0
153.09123	5.7
153.12762	7.9
155.08508	3.7
157.08943	1.7
157.10132	18.3
159.08014	3.1
159.11694	3.9
161.09625	11.4
161.13261	1.5
163.11176	24.7
165.09122	6.6
165.12726	3.7
167.08519	1.2
169.10196	2.2
171.10223	2.4
171.11670	4.5
173.09698	5.8
173.13261	1.1
175.11194	20.0
177.12753	2.9
181.10168	1.2
181.12204	8.4
183.11679	1.5
184.07326	2.7
185.09714	1.2
185.13245	2.0
187.11180	2.3
189.11221	21.0
189.12566	0.8
191.10692	8.0
193.10471	2.7
193.12250	47.0
195.11662	2.2
199.11143	1.8
207.13843	1.3
209.11537	1.3
211.13293	64.9
213.12662	1.2
223.13274	4.9
227.12781	31.5
227.17880	2.2
245.13844	1.3
245.19000	3.7
249.14792	4.2
255.17455	3.7
267.15894	30.7
273.18506	38.6
283.15372	5.9
285.16974	91.1
291.19534	87.6
292.19843	1.3
309.20651	12.5
313.21634	1.6
329.21051	1.8
345.73383	1.1
347.22214	15.7
365.23218	46.2
383.24258	19.3
415.41641	1.3
437.25143	2.6
447.28278	1.9
455.26392	3.7
459.27606	1.5
465.29855	4.5
477.28580	2.6
483.30969	4.0
511.29080	3.1
529.34723	1.2
539.33893	9.9
547.35828	2.1
557.34796	51.2
575.35809	69.4
576.36273	3.2
593.36841	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01626	2.3
55.01870	20.4
55.05511	41.1
57.03440	13.5
61.02927	3.4
64.21966	1.7
65.03944	5.9
67.05505	80.1
68.38419	1.5
68.64465	1.7
69.03420	6.0
69.06731	2.1
69.07071	25.5
70.06599	2.3
70.10873	6.5
71.04994	9.8
72.08151	2.5
79.05494	71.0
81.03423	22.5
81.07058	69.3
83.04981	30.7
83.08614	28.7
84.08115	2.4
85.02887	7.7
85.06535	7.6
85.42877	1.6
86.09702	6.6
90.86371	2.1
91.05486	52.3
93.07044	77.7
95.01327	2.4
95.04972	85.2
95.08064	2.6
95.08614	33.7
95.29288	1.8
96.05293	2.4
97.06526	20.9
97.10178	14.5
99.04462	8.5
103.05358	2.2
105.04528	2.4
105.07036	37.7
107.04961	46.8
107.08598	51.9
109.06522	13.8
109.10168	16.2
111.04444	37.9
111.08081	14.6
112.19124	1.8
114.55677	2.0
115.05474	1.9
117.07009	27.9
117.38910	1.7
119.08583	39.6
121.06534	10.1
121.10141	49.1
123.04428	3.1
123.08070	10.4
123.11688	2.0
124.99981	2.8
125.05985	5.1
125.09615	12.8
128.06111	2.2
129.05435	2.6
129.07018	13.4
130.07805	2.1
131.04909	4.3
131.08585	30.4
133.06522	2.9
133.10115	18.3
135.08101	8.4
135.11697	44.2
137.09607	6.0
139.11169	3.2
143.08536	4.4
145.06467	8.3
145.10124	54.0
147.08055	9.8
147.11719	14.7
149.09636	34.0
150.46936	1.8
153.09177	2.7
153.12755	13.0
155.08574	9.6
157.10127	6.0
159.11705	11.1
161.09598	3.9
161.13261	3.3
163.11183	62.1
165.12737	5.1
169.10123	3.9
171.11707	3.1
173.09627	29.1
173.13289	4.2
175.11165	5.1
177.12703	5.2
179.10637	2.0
181.12218	15.9
183.11732	2.1
184.07364	18.4
187.11220	3.5
189.11244	11.2
189.12691	2.5
191.10622	20.6
193.12263	2.7
205.12216	4.7
207.13792	2.4
209.11740	12.9
223.13286	32.7
227.12772	15.1
229.14330	2.3
229.19611	2.0
239.17950	5.2
257.19064	9.6
262.44272	1.9
265.14352	100.0
267.16031	2.6
273.18320	2.5
275.20062	50.1
283.15378	67.1
285.17044	3.8
291.19452	3.7
293.21136	43.9
301.16452	57.7
302.16983	1.9
311.22339	4.9
349.23761	20.7
365.23175	3.3
367.24811	43.0
411.80478	2.0
496.44888	1.9
504.23755	2.0
529.35657	3.7
539.33948	8.2
547.36328	2.0
557.34766	45.8
575.35779	77.7
593.36853	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	18.8
55.05511	43.4
57.03442	20.2
57.07073	2.8
59.04982	2.8
61.02906	5.3
65.03922	2.1
67.05509	56.0
69.03439	8.7
69.07069	25.1
70.06590	4.3
71.01331	2.0
71.04974	7.5
73.02911	5.1
75.18544	1.4
76.18277	1.8
79.05496	49.9
80.06271	1.5
81.03421	19.3
81.06601	2.7
81.07057	53.9
82.04186	5.7
83.04977	23.9
83.08621	38.1
85.02895	9.2
85.06537	5.5
86.09706	9.3
91.03960	1.6
91.05486	49.3
92.05788	1.7
93.06487	3.2
93.07046	53.5
95.04970	75.8
95.08613	31.6
97.02872	5.2
97.06532	12.1
97.10167	23.2
98.07306	6.3
99.04433	6.9
99.08060	2.4
101.06037	2.0
103.05450	2.5
105.07029	35.8
107.04964	15.7
107.08595	36.7
109.06533	10.8
109.10152	19.6
111.04443	11.9
111.08085	12.2
113.05994	1.7
115.05436	2.3
116.04710	14.0
117.07024	14.7
119.08591	29.2
121.06523	10.8
121.10154	23.9
123.08054	14.7
123.11720	4.8
125.00005	5.0
125.05997	5.4
125.09636	22.1
127.11208	1.7
129.05482	32.0
129.06989	7.4
131.08569	23.9
133.06560	2.0
133.10147	24.7
135.08087	10.2
135.11696	16.5
137.09618	6.2
139.11215	3.5
141.06992	3.0
143.07014	7.3
143.08534	3.8
145.06461	3.0
145.10135	28.4
147.08064	5.7
147.11708	14.7
149.09641	27.1
149.13333	2.3
151.11198	4.3
153.09120	3.8
153.12683	3.5
155.08531	3.4
157.08600	16.3
157.10115	9.1
158.05840	3.3
159.07993	1.6
159.11690	11.8
161.09575	6.4
161.13222	3.9
163.11183	34.9
165.09160	2.7
165.12747	5.1
169.10037	3.1
171.06540	2.6
171.10156	4.5
171.11678	5.0
173.09634	3.7
173.11757	2.8
173.13284	3.8
175.11188	6.3
177.12779	4.3
179.10683	2.5
181.12230	8.2
183.11620	1.6
184.07362	25.4
187.11230	3.8
189.11223	16.7
189.12767	2.8
191.10616	2.6
191.14305	3.4
193.12236	11.8
199.13260	8.5
200.14038	2.9
205.12157	5.6
205.22108	1.6
207.13808	2.7
209.11658	3.8
211.13327	8.4
213.16443	1.8
223.13277	33.8
227.12666	10.3
229.14259	3.3
229.19556	2.8
229.90663	1.9
239.17944	5.0
241.67166	1.9
245.13875	1.8
247.20598	2.4
255.15833	3.8
257.19067	7.6
265.14386	2.0
267.15894	13.1
269.17410	4.9
273.18549	4.5
275.20084	58.4
276.20331	2.3
283.15384	7.4
291.19479	7.2
293.21097	35.6
301.16452	100.0
349.23721	24.5
367.24802	46.1
411.23407	1.8
421.25504	2.6
493.28027	2.1
495.29443	3.9
521.34576	3.2
541.35724	3.4
557.34631	4.3
558.35382	1.9
559.35931	6.6
575.35669	32.9
576.08081	1.8
576.36084	2.7
593.36829	83.3
594.37000	2.9
628.11914	2.2
790.42303	4.6
791.40613	2.2
819.31573	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.1
55.05513	13.7
57.03436	6.4
57.07063	1.2
59.05008	0.7
60.08158	1.8
65.03928	2.9
67.05507	46.3
68.14537	0.6
69.03433	1.4
69.07071	23.4
71.04993	1.9
71.07368	1.3
71.12337	1.0
79.05495	35.4
81.03432	4.6
81.07056	53.5
83.04974	5.3
83.08617	6.9
85.06541	2.7
86.09700	12.0
87.10046	0.9
91.05483	38.9
93.07049	37.1
95.01335	5.3
95.04976	7.3
95.08608	35.1
97.02886	0.7
97.06529	17.0
97.10177	2.3
98.98473	1.9
99.08083	0.9
102.32437	0.6
103.05480	1.5
104.10746	1.3
105.04514	1.6
105.07034	47.9
107.04955	12.1
107.07879	0.9
107.08598	16.1
109.06518	4.8
109.10152	10.6
110.70478	0.6
111.08109	1.8
115.05501	0.9
117.07021	9.0
119.08582	26.1
121.06506	2.1
121.10149	12.6
123.04379	0.8
123.08081	2.7
123.11717	2.9
125.00001	7.5
125.09668	2.2
128.06206	0.9
129.06998	2.0
131.08569	16.7
133.06512	0.8
133.10132	26.0
135.08075	1.7
135.11676	7.8
137.09633	2.1
139.07608	0.7
141.06970	1.1
143.08585	1.8
145.06409	1.1
145.10132	12.0
147.11691	10.4
149.09612	3.1
149.13249	4.1
151.07584	0.7
151.11189	1.8
155.08562	1.0
157.10104	2.4
159.08080	0.8
159.11705	9.4
161.13281	4.2
163.11234	2.4
163.14827	1.2
165.09126	1.3
165.12840	0.8
169.10182	1.1
171.11708	1.6
173.13268	3.0
175.11194	0.8
175.14859	0.8
177.12788	1.8
179.14325	7.9
183.11739	1.8
184.07344	35.6
185.07712	4.7
187.11191	2.0
197.13286	1.0
201.16347	1.0
219.13866	0.7
219.17485	2.6
229.19580	0.7
233.15306	0.8
239.18028	0.7
241.14401	0.8
247.20648	2.1
257.19022	3.2
261.22226	1.2
273.18503	0.8
275.20068	49.0
276.20438	1.0
279.16144	1.0
293.21036	4.2
335.25790	69.2
336.26315	0.6
349.23727	23.1
366.07437	0.8
406.77209	0.7
429.69412	0.7
439.00894	0.7
486.18039	0.7
609.45135	100.0
610.45544	3.2
617.44427	1.2
621.88879	0.7
627.46252	0.8
789.54364	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	789.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.3
55.05273	2.8
55.05515	34.9
56.05859	1.6
57.03438	23.1
57.07071	5.8
59.05000	1.6
61.02918	5.4
65.03943	6.8
67.05507	100.0
68.05835	8.2
69.03411	7.7
69.07070	25.4
69.99403	6.4
71.05006	7.9
71.08634	12.4
72.94621	1.4
73.02935	2.1
79.05494	73.4
79.86658	1.4
80.05840	7.1
81.03418	80.8
81.07059	91.1
82.03741	12.3
82.07402	8.3
83.04985	12.6
83.08621	31.5
84.08950	2.0
85.02899	4.2
85.06530	6.2
86.09705	2.8
91.03960	1.8
91.04905	3.6
91.05483	70.3
92.05823	6.3
93.07045	81.1
94.07363	7.9
95.04974	30.4
95.08611	66.4
96.05319	3.7
96.08384	1.5
96.08920	9.8
97.02902	5.7
97.06533	16.3
97.10165	10.6
99.04494	1.7
99.08082	9.7
105.04536	3.4
105.07035	55.5
106.07357	5.5
107.04962	12.7
107.08598	48.5
108.08900	7.7
108.47726	1.6
109.06531	9.0
109.10161	30.4
110.10495	3.0
111.04462	2.2
111.08081	8.8
115.05447	2.9
117.07018	15.3
119.08592	44.9
120.08921	5.8
121.06495	6.1
121.10146	35.5
122.10486	4.7
123.04408	2.4
123.08083	7.2
123.11682	9.8
124.08360	1.7
125.09629	5.9
126.10046	1.7
128.06299	1.6
129.07019	13.5
131.08569	30.5
132.08900	5.4
133.06459	7.2
133.10149	33.4
134.10464	3.4
135.08054	4.0
135.11679	18.8
136.12024	1.7
137.09625	4.3
137.13226	3.7
141.09053	2.1
142.07784	3.3
143.08562	9.8
145.10136	17.6
146.10454	4.0
147.08049	5.7
147.11697	28.9
148.12021	4.3
149.09639	10.7
149.13268	13.1
151.11197	5.7
155.08582	1.9
157.10124	14.2
158.10437	3.6
159.11682	13.6
160.12085	3.3
161.09598	2.8
161.13260	16.6
163.11179	6.3
163.14819	4.4
165.12791	4.3
167.08495	1.4
169.10100	2.6
171.11722	5.4
173.04457	2.5
173.11984	1.8
173.13240	9.6
175.11118	7.3
175.14857	5.7
176.11552	2.5
177.12766	2.6
179.14305	25.0
183.11690	2.6
184.07335	8.9
185.07689	1.5
185.13260	5.4
187.14749	3.3
189.11203	4.0
193.12262	18.4
194.12590	5.9
197.13290	2.4
199.14842	3.4
201.16467	2.0
215.17896	1.7
227.12750	6.9
228.13081	2.4
241.19545	8.0
243.21080	6.2
244.21497	2.1
247.20526	2.4
249.14844	2.6
257.19089	3.3
259.20535	12.4
261.22171	13.4
262.22455	9.9
267.15918	66.6
268.16248	34.7
269.22662	1.7
273.18469	2.2
275.20084	18.7
277.21658	17.0
279.23386	1.7
293.21075	2.7
295.22699	2.0
302.25681	3.5
309.17139	1.9
315.23087	5.2
317.24606	2.0
318.25092	2.4
333.24274	20.2
335.25806	61.4
336.26151	45.3
349.23749	16.1
351.25287	15.5
421.25455	2.1
422.26163	1.8
435.32516	1.8
436.27527	2.0
436.33008	2.5
453.33881	2.5
454.33914	6.1
471.34445	1.7
472.34839	3.2
503.34396	1.6
515.37610	2.2
527.37421	16.5
528.30145	2.7
528.37744	50.1
529.38788	2.9
545.38452	14.5
546.30920	2.7
546.38776	48.2
570.38306	3.5
609.45099	52.0
610.44958	2.9
627.46344	15.9
771.50067	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	789.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	33.4
55.05276	1.3
55.05518	20.0
55.74704	1.1
56.05039	1.4
57.03443	6.1
57.07073	1.9
59.00651	1.1
60.08175	6.1
61.02919	1.2
65.03939	2.4
67.05511	38.9
69.03441	2.3
69.07074	18.8
69.76685	6.6
71.04974	2.2
71.07360	3.1
79.05501	40.7
79.95396	0.9
81.03416	3.1
81.06596	2.6
81.07066	46.7
83.04996	8.5
83.08640	6.5
85.06513	1.5
86.09225	2.3
86.09718	28.6
87.10016	1.3
91.05491	31.9
93.06489	2.2
93.07053	39.4
93.80290	1.0
95.01318	1.5
95.04982	5.8
95.08617	26.1
97.06541	55.7
97.10158	4.5
98.20813	1.7
98.61994	1.0
98.98454	3.4
104.10751	3.0
105.04537	1.7
105.07040	30.6
107.04962	11.9
107.08605	24.2
109.06556	3.5
109.10170	11.6
111.08089	1.8
117.07029	8.9
119.08605	18.4
121.06548	2.7
121.10156	15.1
123.08041	2.3
123.11707	3.3
125.00023	21.1
125.09632	3.2
129.07021	1.4
131.08592	10.8
133.10152	17.5
135.08080	2.6
135.11681	5.7
137.09593	3.8
139.07593	2.5
139.27379	1.1
143.08553	2.4
145.10144	8.6
147.11725	9.0
149.09627	10.7
149.13292	3.3
151.11290	2.0
157.10141	2.4
159.11716	6.5
161.09567	1.2
161.13278	4.2
163.11198	4.2
165.09137	2.1
171.11732	1.8
173.13277	3.9
177.12764	2.0
179.14317	4.4
183.11703	2.2
184.07364	97.9
185.07674	10.7
187.11212	1.2
187.47729	1.3
215.17926	1.3
219.17442	3.7
227.12787	1.4
229.19533	1.9
239.17941	1.9
247.20653	3.2
257.18979	5.7
275.20090	76.2
276.20477	1.8
276.54526	1.2
293.21017	3.9
335.25824	51.8
349.23730	26.2
523.43036	1.2
548.83459	1.1
569.93451	1.3
609.45197	100.0
610.45026	3.2
612.11682	1.2
627.46368	1.9
789.54010	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	789.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	18.2
55.05516	39.3
57.03442	15.5
57.07074	4.4
59.05008	1.6
61.02936	7.9
65.03949	6.3
65.18107	1.3
67.05509	95.8
69.03432	16.8
69.07072	35.0
69.32188	7.1
69.32593	3.4
71.04997	5.8
71.08641	2.4
73.02919	4.0
77.03944	1.9
78.06237	1.1
79.05499	76.1
80.05807	1.3
81.03419	18.6
81.07063	100.0
82.07384	1.9
83.04987	12.2
83.08627	19.9
85.02906	11.0
85.06551	4.1
87.04498	2.1
89.06060	3.9
91.03958	4.0
91.05486	59.3
91.75956	1.3
93.07047	80.2
94.07409	1.2
95.01315	1.4
95.04980	16.1
95.08611	62.9
97.02901	9.9
97.06534	25.4
97.10168	10.4
97.42546	1.3
98.21546	2.4
99.04474	2.5
99.08092	3.0
103.05485	3.3
105.04541	3.1
105.07040	55.9
105.86674	1.2
107.04961	13.6
107.07874	3.0
107.08597	51.0
109.02888	4.8
109.06522	13.4
109.10165	36.3
109.11317	1.5
111.04431	3.0
111.08112	6.4
115.05475	3.6
116.72515	1.3
117.07015	23.6
119.08590	39.0
119.47943	1.1
121.06520	6.0
121.10155	37.4
123.08080	6.3
123.11747	8.4
125.09642	7.3
127.03930	5.5
128.06255	2.3
129.05542	2.4
129.07030	9.1
130.07762	1.7
131.08575	28.3
133.06453	1.9
133.08640	2.2
133.09036	1.4
133.10133	31.2
135.08087	8.4
135.11705	17.7
137.09654	6.0
139.07600	2.5
139.11209	2.0
141.07045	4.3
142.07771	1.6
143.08591	8.1
145.05008	1.7
145.06497	3.9
145.10133	26.3
146.55775	1.2
147.08005	3.4
147.11702	22.8
149.09633	16.0
149.13242	8.4
151.11183	5.6
155.08607	5.1
155.10684	1.2
156.09364	2.3
157.10159	10.4
159.08022	1.6
159.11696	20.0
161.09674	2.8
161.13281	10.2
163.11214	9.8
163.14824	3.7
165.12801	3.1
167.08604	1.8
169.10181	7.3
171.10426	1.4
171.11668	6.6
173.04555	3.9
173.09637	2.7
173.11778	4.1
173.13306	9.5
175.11206	2.6
175.14827	2.4
177.12787	4.3
179.10677	1.3
179.14272	2.3
181.10150	2.4
181.82579	1.4
183.11673	8.1
184.07344	1.8
185.13303	5.1
187.11156	3.4
187.14857	5.6
189.11237	4.8
189.16429	2.7
191.14380	2.9
195.11758	1.9
195.13693	1.5
197.13300	4.4
199.11227	1.6
199.14822	2.8
205.12254	2.2
211.14938	2.1
213.16428	2.0
215.18028	2.4
217.15894	1.5
223.15030	1.5
225.16151	1.5
227.12743	10.9
227.14279	1.1
229.12247	2.3
229.14223	8.9
229.19438	2.6
231.40334	1.2
236.61775	1.4
239.18004	5.0
241.19724	1.9
243.21252	3.2
247.20625	1.7
257.19046	11.0
259.20590	3.4
261.22116	8.8
267.16196	1.5
269.17551	1.6
273.18600	2.0
275.20087	61.7
276.20361	2.0
277.21487	1.5
285.21875	1.9
287.20184	1.7
293.20932	6.9
297.22369	1.5
299.20071	1.7
317.24875	1.8
333.24280	1.7
335.25815	73.3
349.23764	42.0
351.25241	1.9
367.24759	2.9
369.23987	1.8
413.21475	1.8
431.31628	3.0
461.28970	1.8
479.30176	1.7
489.36172	6.8
489.41797	1.5
505.35001	3.9
511.29431	2.2
513.39172	3.6
515.37341	3.5
517.40387	1.9
529.38721	6.4
536.10138	1.4
557.38068	1.8
569.42975	1.4
587.61798	1.5
592.34509	1.7
609.45190	76.4
610.44916	2.8
627.46259	22.9
753.49121	2.2
771.50055	4.5
789.50507	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	788.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05035	0.8
57.03436	0.1
57.07072	0.1
58.06620	0.5
59.07388	0.1
60.08166	6.2
67.05508	0.6
69.03453	0.1
69.07069	0.2
69.29957	0.5
69.30362	0.2
70.06588	0.1
71.07375	3.3
72.62137	0.1
79.05495	0.3
81.07047	0.4
83.04977	0.1
83.08636	0.1
86.09708	31.0
87.09988	0.1
91.05484	0.3
93.07043	0.5
95.04975	0.2
95.08628	0.3
97.06537	0.1
97.10165	0.1
98.98466	3.6
99.04459	0.1
102.70431	0.1
104.10748	2.9
105.07037	0.2
107.08627	0.2
109.10210	0.2
117.07018	0.2
118.65388	0.1
119.08578	0.2
120.96909	0.1
121.10145	0.1
125.00009	21.4
133.10149	0.2
136.06238	0.2
145.10168	0.2
146.75676	0.1
166.02681	0.2
175.11201	0.1
184.07346	100.0
185.07794	0.4
186.35745	0.1
186.86246	0.1
273.18552	0.2
274.19196	0.1
275.20129	0.1
306.72342	0.1
335.25699	0.1
496.33951	0.2
565.84521	0.1
608.43744	0.2
676.45117	0.1
679.06787	0.1
690.47003	1.0
730.49500	0.1
752.51593	0.3
770.53418	0.8
788.54346	4.7
789.53998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05509	1.0
56.05014	0.6
56.05841	0.2
57.03427	0.3
57.07061	0.2
58.06604	0.3
59.07396	0.2
60.08167	6.5
61.02957	0.1
67.05214	0.2
67.05511	1.4
68.05831	0.2
69.03400	0.2
69.07068	0.7
70.06565	0.2
71.07381	3.4
71.08615	0.2
71.51971	0.2
75.78070	0.1
79.05490	1.6
81.03413	0.5
81.07057	1.8
82.07376	0.2
83.04970	0.3
83.08629	0.5
85.06575	0.2
86.09709	31.1
91.05491	1.3
92.05825	0.3
93.07047	1.5
94.07381	0.3
95.04971	0.4
95.08604	1.2
96.08952	0.2
97.02894	0.3
97.06539	0.6
97.10152	0.4
98.98469	3.4
104.10745	2.6
105.07033	1.7
106.07370	0.2
107.04948	0.6
107.08591	1.0
109.06510	0.2
109.10149	0.5
117.07035	0.4
119.08575	1.1
120.08956	0.3
121.06500	0.2
121.10141	0.5
123.08049	0.2
125.00010	21.4
125.09622	0.3
129.07034	0.3
131.08595	0.9
133.10136	0.8
134.10435	0.2
135.08105	0.3
135.11679	0.4
137.09615	0.2
143.01025	0.2
143.08568	0.3
143.94208	0.2
145.10144	0.6
146.10512	0.2
147.08006	0.3
147.11707	0.5
149.09619	0.4
149.13268	0.2
157.10164	0.2
159.11737	0.5
161.09570	0.2
161.13274	0.2
163.11238	0.2
166.02684	0.4
175.11154	0.2
184.07346	100.0
185.07660	0.3
185.13252	0.2
203.06375	0.1
227.12772	0.2
259.20590	0.2
260.20953	0.3
273.18625	0.6
274.18890	0.3
275.20041	0.7
276.20471	0.4
276.64581	0.2
289.89319	0.2
291.19635	0.4
292.19955	0.2
333.24179	0.3
334.24649	0.4
335.25790	0.4
336.26212	0.3
347.22363	0.2
348.22345	0.2
349.23767	0.4
350.24164	0.3
490.33661	0.2
496.33820	0.3
506.84720	0.2
575.16528	0.2
607.43805	0.2
608.44086	1.1
626.45099	0.7
770.52551	0.4
781.91919	0.2
788.54352	10.4
789.55042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	9.4
55.02104	1.9
55.05513	32.5
57.03446	12.3
57.07073	6.1
59.05015	3.7
60.08157	4.4
64.56616	1.7
65.03597	1.9
65.03940	4.9
67.05505	78.5
69.03436	17.6
69.07076	26.8
70.75388	4.5
71.05002	11.6
71.05325	2.2
71.08637	2.4
71.18530	2.2
79.05497	54.2
81.02945	2.5
81.03420	46.8
81.07059	84.1
82.73808	2.4
83.01343	2.9
83.04996	18.5
83.08627	23.5
85.02910	10.8
85.06543	5.3
86.09711	16.4
91.05486	37.7
93.07047	51.7
95.04975	14.4
95.07990	3.0
95.08607	56.6
97.02914	13.7
97.06539	10.5
97.10170	17.7
99.04461	7.8
99.08112	2.8
105.07022	28.3
105.69151	2.0
107.04964	17.8
107.08603	32.6
109.02892	14.1
109.06503	5.2
109.10159	26.3
111.04453	12.1
111.08068	8.1
115.07558	2.6
117.07033	10.8
119.08599	27.2
121.06516	5.6
121.10144	20.6
123.04431	2.4
123.08058	9.5
123.11705	7.5
125.00031	11.2
125.09636	13.1
127.03936	15.9
129.07028	6.9
131.04866	2.6
131.08563	16.9
133.06561	2.1
133.10118	12.4
135.08076	5.0
135.11703	24.5
137.05981	2.6
137.09639	3.4
142.07809	2.4
143.08575	6.3
145.10118	21.4
147.08031	5.5
147.11626	9.0
149.09625	3.4
149.13237	5.7
149.70256	1.9
153.12746	16.7
155.08577	4.0
157.10124	3.7
159.11716	5.5
161.09605	2.9
161.13297	6.0
163.11179	25.2
163.14861	3.5
165.12839	3.4
169.10022	2.0
171.11751	4.5
173.04546	2.1
173.09645	4.7
173.13260	1.9
175.14830	3.5
177.12682	2.2
181.12279	11.4
184.07353	58.1
185.07628	2.9
185.13266	1.8
187.14876	3.1
189.11250	6.4
191.10666	11.8
193.12300	3.1
203.30052	2.0
209.11688	5.0
227.12791	35.2
263.23834	4.3
265.14398	6.7
265.47635	1.9
267.15921	5.8
267.31107	1.8
273.18674	3.9
275.12988	2.5
283.15457	25.2
288.99673	2.1
301.16678	2.2
301.25302	6.1
335.14880	2.1
335.25827	6.8
337.27371	100.0
338.27704	2.3
353.15948	12.9
356.47327	2.0
371.25534	2.4
427.19635	83.3
435.32895	2.8
527.37390	18.8
545.38385	87.3
546.38843	2.8
563.39319	3.7
608.43433	2.1
626.44592	5.3
627.46399	2.3
671.41205	5.7
689.42493	59.6
690.42908	2.7
707.43787	19.3
770.51270	2.8
788.51025	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	788.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.1
55.05512	20.4
57.03439	21.3
57.07063	3.2
58.12843	0.8
59.04994	1.4
61.02921	1.5
65.03923	3.8
67.05506	68.3
68.05842	1.0
69.03439	5.1
69.06686	0.9
69.07069	16.8
70.97549	1.2
71.04995	4.2
71.08623	1.6
77.03896	1.1
79.05496	48.2
80.05859	1.0
81.03420	89.3
81.07059	62.7
83.04978	8.5
83.08157	1.6
83.08620	23.2
85.02890	3.1
85.06535	4.0
86.09690	2.7
87.04446	0.9
91.05479	39.0
93.07048	56.1
95.04974	30.9
95.08609	48.1
97.02877	3.2
97.06528	5.8
97.10162	7.5
97.32920	0.9
98.20854	1.1
99.04490	1.2
99.08089	1.3
103.05504	1.1
105.04468	1.4
105.07035	31.8
106.07314	1.0
107.04961	7.6
107.08595	25.5
109.02908	1.2
109.06534	6.2
109.10161	21.3
111.04414	2.1
111.08076	9.3
111.11673	1.2
115.05441	2.8
117.07032	9.5
119.04904	1.2
119.08589	25.3
120.16582	0.8
121.06494	3.1
121.10152	24.6
123.04450	1.1
123.08054	5.7
123.11703	8.7
125.00037	2.2
125.09615	3.7
128.06235	1.0
129.07008	10.6
131.08572	22.8
131.28496	0.7
133.06491	3.2
133.10133	16.2
135.08098	2.2
135.11714	14.0
137.09593	2.4
137.13240	2.4
142.07770	2.8
143.08534	2.9
145.06465	1.0
145.10123	12.1
147.04387	0.9
147.08052	4.2
147.11697	16.0
149.09645	7.1
149.13251	7.1
151.11157	1.0
153.09142	1.4
155.08504	1.9
156.47385	0.9
157.10120	11.6
159.11694	7.3
161.13240	7.5
163.11154	3.8
163.14786	2.6
165.12747	1.6
169.10143	1.9
171.11682	3.0
173.09631	1.2
173.13278	6.7
175.11201	9.6
175.14777	2.8
177.12700	1.4
177.16306	1.2
179.14290	1.0
183.11687	1.7
184.07347	6.4
185.13225	3.2
187.13321	1.1
187.14839	3.7
189.11180	3.1
189.12730	1.4
193.10446	1.3
193.12238	21.7
197.13246	1.9
199.14865	1.8
201.16266	1.0
211.13194	1.6
219.17511	1.0
221.95898	0.9
225.16621	0.9
227.12743	7.8
231.13866	1.0
235.13312	1.5
243.21028	4.6
249.14886	1.6
257.19321	1.1
261.22147	21.9
267.15924	100.0
268.16229	2.8
273.18533	1.6
275.20108	1.9
279.19714	0.9
279.23160	1.5
285.22208	1.9
287.20013	0.9
299.23679	1.2
301.14334	2.2
301.25293	6.2
309.16879	2.9
317.24759	3.2
321.20544	0.9
333.24146	1.5
335.25809	94.1
336.26126	1.8
421.25980	2.4
435.27261	2.6
435.32407	4.3
449.29010	1.7
453.33670	8.7
461.28961	1.6
471.34421	4.4
475.30667	1.6
483.36127	1.0
497.30505	1.0
509.35971	2.3
527.37347	65.2
528.37231	2.1
545.38379	64.4
546.38776	1.8
559.39642	1.4
569.38428	4.6
577.40082	1.2
608.43365	2.0
623.38507	1.0
626.44867	5.6
635.38727	1.8
641.64270	0.9
702.54077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	14.1
55.05271	3.0
55.05515	38.8
57.03441	16.5
57.07081	5.4
58.41996	1.8
61.02916	4.4
65.03936	7.1
67.05508	100.0
67.62541	1.8
69.03429	19.8
69.07072	35.5
70.10719	4.5
70.11108	2.9
71.01363	2.4
71.04994	13.8
71.60073	2.2
73.06530	2.1
77.03902	2.2
77.18819	1.7
79.05494	79.1
80.05826	2.5
81.03424	32.3
81.07059	98.4
83.04999	11.8
83.08613	17.8
83.96454	2.0
85.02919	9.2
85.06552	4.5
86.09728	2.8
91.05486	75.4
92.05836	3.6
93.07047	88.5
94.07362	4.8
95.04979	14.4
95.08610	52.5
97.02871	13.2
97.06531	19.5
97.10201	9.3
99.04451	3.9
99.08081	3.2
103.05457	3.7
105.04542	2.8
105.07037	64.8
106.07352	2.9
107.04951	8.4
107.08598	48.9
109.02886	5.4
109.06509	9.5
109.10151	19.0
111.04436	3.9
111.08067	7.0
113.06040	1.9
113.09691	1.9
115.05447	5.4
117.07027	33.1
119.08591	50.1
121.06528	4.5
121.10152	29.0
123.08064	6.1
123.11712	8.5
125.09637	4.7
127.03912	6.7
128.06224	4.1
129.05470	6.0
129.07010	25.1
131.08574	44.7
132.09055	1.9
133.06529	3.1
133.09142	3.1
133.10130	46.1
135.08049	6.2
135.11711	20.1
137.09662	2.3
139.11227	2.2
141.06970	6.8
142.07841	2.8
143.08569	24.8
144.09212	2.5
145.06512	3.2
145.10124	33.1
147.08040	4.5
147.11693	27.5
148.12001	2.4
149.09589	7.2
149.13261	14.9
151.11198	7.0
154.07666	3.1
155.08560	14.2
157.10118	19.9
159.08078	4.7
159.11699	29.5
161.09651	3.9
161.13281	14.5
163.11200	5.3
165.12788	4.0
166.07803	2.1
167.08566	9.2
169.10162	13.2
171.08064	2.6
171.11678	21.6
173.04443	5.6
173.13202	11.0
175.11198	3.7
175.14832	6.0
177.12767	6.0
179.08525	2.3
179.14230	2.4
181.10139	7.3
183.11688	14.6
184.07318	2.7
185.09543	3.8
185.13255	9.7
187.11119	3.1
187.14842	6.2
193.12239	2.2
194.68694	2.3
195.11670	8.7
195.13797	7.6
197.13258	9.1
199.11255	3.1
199.14836	9.6
201.16457	3.1
207.11769	4.6
209.13271	6.9
211.14787	4.2
213.12953	3.0
213.14725	2.5
213.16522	4.4
223.14952	2.3
225.16451	5.2
235.14745	2.7
241.19653	4.5
245.13422	2.1
249.16240	2.2
251.18161	2.5
257.18979	2.7
259.20654	23.3
260.20889	2.5
261.22147	3.1
267.15955	5.9
269.17419	25.9
275.17319	2.2
275.20056	5.7
276.20511	3.0
291.19299	2.2
299.20032	2.6
301.21631	2.6
313.21661	3.4
315.23172	4.3
321.16940	3.0
331.17212	3.4
333.24286	32.1
334.24554	2.5
335.25790	7.0
339.23123	2.9
349.21243	2.9
350.24106	2.6
351.23056	3.3
367.22830	6.7
369.24405	3.4
385.23581	4.2
388.86856	1.9
403.24841	4.2
413.21796	8.8
435.33005	8.9
441.26138	4.6
459.27274	2.5
491.36984	3.2
509.36145	7.6
514.35968	2.6
527.37366	85.1
528.37549	5.9
531.40411	3.8
544.40112	2.4
545.38300	6.6
555.36414	2.2
559.40179	3.4
569.38275	3.9
581.38086	2.4
608.44214	13.3
611.46771	5.6
617.37567	3.0
623.39410	3.3
625.43488	2.5
626.45105	18.9
629.47485	4.7
635.39349	16.8
653.40417	19.6
654.40991	4.2
671.41632	32.2
689.42615	27.8
690.42908	4.6
719.83289	2.4
770.48914	3.6
776.47852	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.3
55.05270	1.3
55.05513	20.4
57.03441	10.4
57.07067	1.4
59.05008	1.0
61.02937	1.5
62.76015	0.7
63.34487	0.7
65.03935	3.3
67.05508	55.7
67.62775	0.7
68.05834	1.8
69.03432	8.2
69.07070	16.9
69.28300	4.3
69.28707	1.7
71.04993	6.3
71.08636	1.1
73.02917	0.9
78.04729	0.6
79.05497	43.0
80.05827	1.6
80.42916	0.7
80.80318	0.7
81.03419	44.3
81.07059	51.9
82.07395	1.2
82.99873	0.7
83.04983	12.1
83.08621	20.4
85.02910	12.6
85.06541	3.5
86.09707	3.9
91.05483	36.5
92.05820	2.1
93.07047	43.3
94.07394	2.4
95.04972	17.5
95.08610	31.3
96.08958	1.1
97.02898	6.9
97.06532	6.4
97.10159	6.1
98.06884	1.0
98.21516	1.6
99.04471	2.0
99.08112	1.7
101.04688	0.7
105.04522	1.0
105.07034	30.9
105.09050	0.7
106.07365	2.6
107.04944	5.2
107.08601	23.8
108.08938	2.2
109.02885	3.5
109.06541	4.1
109.10159	18.9
110.10497	1.1
111.04448	3.9
111.08075	7.2
113.06042	1.4
115.05442	1.1
117.07024	8.4
119.04979	1.0
119.08585	22.6
120.08923	2.0
121.06506	3.1
121.10153	19.6
122.10500	0.9
123.04409	0.9
123.08073	2.1
123.11710	4.0
125.00010	2.4
125.06101	0.8
125.09627	5.3
126.26030	0.8
127.03923	2.5
128.06177	1.1
129.05504	2.8
129.07025	8.4
131.08571	14.3
132.08928	1.3
133.06520	1.3
133.10129	14.2
134.10493	1.9
135.08080	1.7
135.11684	9.4
135.48569	0.7
137.09622	2.8
137.13274	1.3
139.11224	1.0
141.06908	1.2
142.07774	2.1
143.08583	2.8
145.06538	1.0
145.10129	8.9
146.10471	1.5
147.08067	2.5
147.11687	15.8
148.11987	1.3
149.09633	6.4
149.13269	3.1
153.12778	1.6
155.08572	2.1
157.10124	9.8
158.10556	1.1
159.08067	1.2
159.11690	5.8
160.12050	1.8
161.09615	1.2
161.13309	5.1
162.13573	1.3
163.11226	2.6
163.14815	1.5
165.12798	2.1
169.10153	1.5
171.11688	3.5
173.11864	1.7
173.13274	4.8
174.13620	0.9
175.11197	6.8
175.14854	2.7
181.12225	1.3
183.11757	1.1
184.07347	13.7
185.13214	1.9
187.14859	1.9
189.11266	1.8
189.12843	1.0
189.16316	1.0
191.14400	1.0
193.10445	1.5
193.12248	21.4
199.14841	1.2
201.16505	0.9
211.13283	22.4
225.12849	0.7
227.12872	3.7
229.14331	9.5
239.18085	0.8
241.19589	2.4
242.19925	1.5
243.21083	1.8
249.14973	1.7
257.19073	1.5
259.20563	2.8
260.21011	2.3
261.22116	4.0
263.23535	0.7
267.15912	13.4
273.18497	2.2
274.18896	1.3
275.20108	10.5
276.20456	4.9
283.15527	0.9
285.16974	12.4
293.21164	1.7
317.24997	1.5
333.24228	3.6
334.24701	2.9
335.25793	53.2
336.26147	2.2
337.27408	5.4
347.22455	0.8
349.23822	4.5
350.24060	3.2
355.17670	2.1
369.24408	0.9
393.18854	1.1
405.26215	0.9
428.47128	0.9
429.21246	15.8
435.32632	1.4
454.43356	0.7
471.34268	0.8
491.37372	3.3
527.37439	10.5
528.38379	1.0
545.38379	100.0
546.38824	4.0
546.45984	0.9
607.43683	1.9
608.43976	10.6
626.45062	7.0
629.47791	2.2
647.48792	2.9
653.40906	1.3
671.41833	1.7
689.42596	19.9
690.42932	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.6
55.05513	25.8
57.03442	11.7
63.58664	1.2
65.03926	4.5
67.05505	89.0
68.75983	1.5
69.03408	3.9
69.06735	1.6
69.07069	23.7
71.04998	5.6
73.06537	1.4
76.80686	1.0
77.03910	2.9
79.05492	86.2
81.03411	9.6
81.07056	76.3
83.04978	16.4
83.08616	19.1
85.02875	2.2
85.06551	5.6
91.05482	65.4
92.05783	1.4
93.07044	84.7
95.04969	21.8
95.08607	40.6
97.02872	2.6
97.06525	14.4
97.10181	8.8
99.08075	2.5
101.05919	1.3
105.04515	2.9
105.07034	59.9
107.04964	12.8
107.08590	36.5
109.06518	12.9
109.10152	36.4
111.08088	6.0
113.04762	1.2
113.09657	1.4
117.07015	14.2
118.45969	1.3
119.08585	38.1
120.38834	1.1
121.06477	4.3
121.10137	15.6
123.08086	8.3
123.11683	4.6
125.09608	4.4
127.03874	1.8
127.07499	2.4
128.06175	3.5
129.05502	1.4
129.07008	18.5
130.07730	1.7
131.08563	13.0
133.10135	26.6
135.08046	5.9
135.11708	8.3
137.09622	3.6
143.08562	12.3
145.09061	1.7
145.10127	18.2
147.08060	4.5
147.11690	38.0
149.09644	8.0
149.13254	8.0
151.11171	2.6
155.10660	3.0
156.09326	1.7
157.10052	2.5
159.11690	10.5
161.09583	5.4
161.13242	12.9
163.11182	7.5
169.10094	2.4
171.10277	1.9
171.11684	24.6
173.11742	6.1
173.13158	2.6
175.11057	2.0
175.38805	1.1
177.12724	2.3
179.14261	2.3
183.11665	2.3
184.07375	3.2
187.11147	1.6
189.11224	2.3
189.12729	8.8
195.13820	3.9
201.12648	1.2
207.13795	21.5
219.13826	1.3
225.14822	1.6
227.12772	5.7
229.14333	13.1
229.19624	1.4
229.23271	1.3
239.17944	3.7
247.20583	2.4
255.15828	3.0
257.19028	7.7
263.16437	1.6
269.17499	11.0
275.20065	36.7
279.15912	1.6
281.17474	92.9
293.21106	5.2
331.22498	2.2
349.23743	17.5
367.24832	5.8
435.27426	78.6
436.27411	1.8
451.26593	3.7
457.29507	2.1
459.30664	1.4
475.30542	100.0
476.30804	3.1
537.35547	4.8
545.34515	1.7
555.36823	74.3
556.37061	2.0
573.30615	1.7
573.38019	24.4
579.31708	2.0
619.34534	4.7
780.44458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00764	1.6
55.01877	9.0
55.05268	2.2
55.05509	25.6
57.03442	12.0
61.02908	2.2
61.16644	1.5
62.03341	1.5
65.03922	2.7
67.05509	38.8
69.03419	4.8
69.06738	1.6
69.07072	19.1
70.06574	3.6
70.53963	4.7
71.04986	4.7
75.04479	1.7
79.05494	37.3
81.03423	38.5
81.07057	53.4
83.04988	16.6
83.08228	1.8
83.08635	18.8
84.08135	1.7
85.02904	16.4
85.06525	2.1
86.09690	3.4
91.05480	36.9
93.07053	31.7
95.04968	19.8
95.08616	16.6
97.02881	3.8
97.06533	9.7
97.10178	12.9
99.04487	2.1
99.08120	2.7
103.05520	1.8
104.91492	1.5
105.04488	1.9
105.07042	23.0
107.04962	14.5
107.07951	2.5
107.08595	20.1
109.02894	4.2
109.06509	11.0
109.10136	11.9
111.04455	7.2
111.08077	12.9
113.05982	2.1
117.07012	12.6
119.07794	2.7
119.08588	28.5
121.06525	9.0
121.10135	14.2
123.04456	2.5
123.08044	10.5
124.99958	2.1
125.05938	1.8
125.09624	10.3
128.06281	2.4
129.07004	8.7
131.08563	15.7
133.06462	4.0
133.10136	15.5
135.04353	2.0
135.08072	10.0
135.11662	10.8
137.06004	1.9
137.09624	5.9
142.07835	2.0
143.08563	3.7
145.06477	4.4
145.10118	12.5
147.08061	9.3
147.11702	9.0
149.09610	7.6
153.09111	1.7
153.12750	3.7
155.08575	3.0
157.10149	10.2
159.08057	5.0
159.11723	4.1
161.09579	12.4
163.07518	3.5
163.11197	15.9
165.09088	2.5
165.12881	2.1
169.10048	1.9
171.11630	3.3
173.09618	5.6
175.11169	9.0
179.10733	1.7
181.09921	1.9
181.12219	4.1
184.07346	4.8
185.09549	1.7
187.11131	2.1
189.09238	1.7
189.11238	5.7
191.10652	4.3
193.12236	22.6
209.11707	5.5
211.13293	28.1
223.05220	1.9
223.13174	2.2
227.12804	13.3
243.17378	2.3
255.17616	2.5
263.20236	1.6
265.14346	6.1
267.15945	13.0
271.16739	2.8
273.18469	20.0
275.20206	3.3
283.15402	31.3
285.16974	29.3
289.17938	11.0
291.19553	19.8
292.20056	2.1
299.14917	3.1
301.16473	6.9
307.18832	3.3
309.20709	3.9
329.20944	2.2
347.22025	10.0
363.21545	5.6
365.23343	10.1
381.18268	2.7
381.22806	37.8
383.24323	5.2
475.26849	3.1
481.29379	2.4
527.33740	3.5
545.34546	2.7
555.33191	21.7
573.34271	49.1
591.35284	100.0
592.36127	2.4
711.41809	1.9
788.45380	5.5
796.83380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.4
55.05514	46.4
57.03437	14.3
57.07063	1.5
59.04996	3.6
60.08155	1.1
61.02913	3.6
65.03938	4.2
66.32168	1.1
67.05509	77.0
68.05830	1.0
69.03421	6.3
69.07072	24.0
70.06590	2.0
70.24374	1.6
70.24731	3.4
71.05002	7.7
71.07336	1.1
73.02911	1.5
77.03893	1.8
77.20596	1.0
79.05498	62.2
81.03056	1.2
81.03434	11.7
81.07061	67.4
83.04988	17.8
83.08627	35.9
83.09122	2.1
85.02918	5.7
85.06532	3.9
86.09715	6.7
91.05486	66.0
93.07050	66.4
95.04973	56.9
95.08611	36.1
97.02896	6.3
97.06543	10.9
97.10169	14.6
98.77499	1.1
99.00819	14.8
99.04470	5.5
99.08090	2.7
101.13235	1.0
103.05471	3.3
105.04549	2.0
105.07035	49.5
106.07380	1.2
107.04957	20.7
107.05639	2.0
107.08598	41.9
109.02887	11.2
109.06525	11.9
109.10162	30.7
111.04446	11.9
111.08098	9.3
113.06018	1.4
115.03929	3.6
115.05447	1.5
117.07026	17.8
119.08585	39.4
120.66247	1.0
121.06504	14.3
121.09325	1.9
121.10151	22.7
123.04437	2.5
123.08084	10.0
123.11710	5.0
125.00005	5.3
125.00790	1.0
125.05984	2.2
125.09621	11.6
127.03909	4.1
128.06241	3.3
129.07016	10.1
131.08560	19.3
133.06442	3.4
133.10138	52.0
135.08092	7.6
135.11687	12.3
137.05954	1.4
137.09633	6.1
139.07542	3.9
139.11220	1.4
141.07024	1.9
143.08577	13.9
145.06441	2.2
145.10121	24.1
147.08060	7.3
147.11687	22.8
149.09619	23.9
149.13235	5.8
151.07506	1.4
151.11186	13.1
153.06975	1.1
153.09129	2.4
155.08559	2.2
157.10139	4.6
159.11708	11.2
161.09630	21.6
161.13251	7.0
163.11189	27.1
165.09120	2.5
165.12759	3.6
167.10727	1.1
169.10146	2.8
171.08038	4.2
171.11684	13.1
173.09575	2.0
173.11697	4.0
173.13263	3.4
175.11188	2.6
175.14825	1.3
177.12773	4.2
179.10674	9.6
181.12189	3.2
183.11708	2.5
184.07358	16.5
187.11198	4.2
187.14807	1.6
189.09268	8.3
189.11198	8.7
189.12790	4.2
193.12257	1.8
195.13824	1.4
197.11719	3.3
197.13219	2.5
201.12726	1.3
205.12282	4.2
207.10138	4.1
207.13828	7.0
211.13290	2.8
211.88011	1.0
223.13290	25.5
225.11153	8.2
227.12791	4.6
229.14322	11.2
229.19577	1.9
237.14778	1.3
239.17924	3.5
247.20619	1.2
257.19025	8.5
267.15939	1.9
269.17563	4.7
275.20081	49.4
281.13895	5.9
281.17477	22.0
282.05426	1.2
283.15341	2.3
285.16815	1.0
291.19589	2.1
293.21136	28.4
299.14905	100.0
305.87177	1.1
311.22247	1.2
311.60196	1.1
317.84836	1.0
349.23752	28.1
367.24789	50.9
381.22632	1.7
435.21524	2.2
435.27432	36.7
475.30612	33.7
493.27936	3.8
515.33374	3.7
545.92944	1.2
555.37042	22.4
573.33868	28.7
591.35327	96.7
592.35468	4.0
609.36011	2.7
788.41992	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	787.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.9
55.05515	46.5
57.03435	14.9
57.07067	5.2
59.05010	2.4
61.02930	5.7
65.03944	5.5
67.05508	94.8
68.05846	6.1
69.03435	15.8
69.07074	22.3
69.27753	13.3
70.03732	1.6
71.05003	12.6
73.02909	2.5
79.05496	96.5
80.05827	6.3
81.03421	32.4
81.07060	89.4
82.03764	2.5
82.07397	4.8
83.04990	18.5
83.08624	21.2
84.05334	2.0
85.02904	11.5
85.06551	5.0
86.09687	2.4
91.03957	2.1
91.05486	82.7
92.05832	4.8
93.07049	100.0
94.07373	7.6
95.04979	20.3
95.08610	57.8
96.08962	3.6
97.02908	12.2
97.06532	12.3
97.10167	10.5
99.04457	5.5
99.08099	3.0
103.05489	3.1
104.61472	1.6
105.04507	2.7
105.07034	69.3
106.07351	3.2
107.04969	19.7
107.08604	55.1
108.08925	4.5
109.02862	5.6
109.06534	11.2
109.10161	24.6
110.10540	1.6
111.04461	7.1
111.08072	7.5
112.04742	2.3
115.05478	4.3
117.06239	2.2
117.07027	28.6
118.07361	2.9
119.08588	53.5
120.08879	2.6
121.06496	5.9
121.10149	37.7
122.10510	3.3
123.08073	5.8
123.11707	6.7
125.00062	1.8
125.09665	8.8
127.03944	8.8
128.06247	3.7
128.84674	1.8
129.05576	1.6
129.07001	15.8
130.07767	3.0
131.08578	34.7
133.06508	4.4
133.10136	37.7
135.08080	6.6
135.11685	24.9
136.12073	2.6
137.09621	4.0
141.07031	5.7
142.07780	3.1
143.08568	18.5
143.80334	1.8
144.09410	2.0
145.06451	2.8
145.10136	31.1
146.10513	4.5
147.08058	5.2
147.11697	27.7
149.09648	13.0
149.13226	7.8
151.11134	1.9
153.07011	1.8
153.09073	2.2
153.12769	5.9
154.13072	2.6
155.08577	8.6
156.09201	1.7
157.10120	13.2
159.08043	2.7
159.11688	17.8
161.09647	7.2
161.13268	17.2
163.11171	17.8
163.14809	1.8
164.11581	3.2
165.12750	3.1
167.08592	2.6
168.09322	2.2
169.10135	6.5
170.05205	1.8
171.07982	2.0
171.11726	12.3
173.04472	4.9
173.09639	4.7
173.11963	2.2
173.13219	8.6
175.11267	3.9
175.14833	6.5
177.12782	2.7
179.08499	2.3
181.10143	3.4
181.12215	4.0
182.12547	2.0
183.11725	6.1
184.07364	7.7
185.09662	2.4
185.13252	6.6
187.11218	2.8
187.14830	6.2
189.11192	4.7
189.12729	2.0
191.10677	3.2
193.12120	2.6
195.11722	3.7
197.13272	5.7
199.11131	2.2
199.14864	3.9
201.16310	2.1
207.11723	2.7
209.15376	1.7
211.14862	2.0
213.12823	1.7
213.16367	3.1
217.15880	2.3
217.19473	1.8
221.13228	2.4
227.12759	11.3
227.18036	1.8
228.13092	4.7
231.17441	2.0
231.20987	2.1
239.18004	2.9
241.19524	11.5
243.21210	2.0
257.19012	5.2
259.20602	21.0
261.22134	4.7
262.22543	1.6
267.15900	3.2
273.18567	11.8
275.20087	61.1
277.21848	1.9
283.15417	4.2
284.15997	3.6
291.19626	4.9
294.13110	1.6
315.23099	5.8
333.24292	26.6
335.22067	2.7
335.25854	39.2
336.26093	22.1
347.22241	3.7
349.23770	28.7
353.15781	1.8
427.19644	12.5
428.20023	13.2
452.32568	1.7
487.32150	1.7
503.33542	1.7
515.38599	3.2
525.35461	2.6
526.35999	3.8
527.37543	2.9
533.39697	2.2
543.36707	9.5
544.37189	28.0
545.38324	7.9
551.41168	2.3
562.37781	2.2
607.43573	47.5
625.44739	28.4
670.39526	2.0
688.41339	34.0
689.42352	3.7
706.42432	9.2
751.46844	2.8
769.47351	2.4
787.48541	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	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	21.9
55.05265	4.4
55.05510	45.6
57.03439	15.1
57.07064	6.3
61.02945	16.1
65.03943	6.4
67.05509	99.6
68.05836	2.8
69.03444	22.2
69.07067	41.6
70.06592	10.0
71.04997	8.5
71.52067	4.0
73.02909	7.8
79.05494	83.3
81.03420	38.6
81.06592	5.6
81.07061	91.5
83.04994	13.3
83.08617	28.8
85.02909	18.2
85.06548	6.6
86.09702	11.5
91.03968	5.6
91.05482	73.6
91.06030	5.2
93.06487	4.9
93.07051	82.1
95.04971	21.8
95.08611	64.3
97.02894	17.0
97.06540	22.8
97.10185	15.1
99.04468	4.7
99.08088	3.4
101.02379	3.1
103.05478	3.5
105.07036	78.8
106.07319	3.0
107.04960	19.4
107.08600	51.1
109.02887	8.0
109.06538	15.4
109.10153	43.9
111.04452	4.8
111.08071	8.7
115.05450	9.6
116.06225	2.7
117.07015	35.1
119.07802	4.8
119.08590	56.5
120.08878	4.1
121.06512	11.2
121.10145	27.8
123.04433	3.3
123.08087	10.3
123.11713	11.7
125.06007	4.6
125.09618	12.8
127.03927	8.7
127.15756	2.9
128.06223	9.9
129.05505	3.7
129.06998	27.0
131.08568	47.1
133.06558	5.0
133.10139	42.6
135.08063	12.1
135.11662	21.2
137.09608	7.5
139.11194	3.3
141.07010	11.7
142.07765	5.6
143.08578	32.7
144.09325	3.8
145.06483	3.9
145.10138	45.9
147.08051	6.9
147.11690	31.5
149.09622	17.3
149.13278	10.3
151.11211	6.0
153.06979	4.1
153.09123	3.1
154.07869	4.0
155.08534	16.2
156.09306	4.3
157.10143	25.5
159.08093	7.5
159.11697	28.9
161.09631	5.9
161.13266	17.9
163.11232	16.5
163.14757	3.4
165.07039	3.6
165.09158	4.1
165.12772	3.8
167.07242	2.7
167.08565	9.2
168.09363	4.4
169.10127	20.8
171.08032	4.1
171.11697	25.6
173.04442	6.5
173.09698	3.5
173.11908	4.4
173.13280	18.2
175.11212	5.8
175.14835	6.5
177.12747	5.5
179.08534	4.6
179.10645	2.6
180.09219	2.7
181.10170	13.5
181.12318	4.1
183.11711	19.7
184.07321	6.4
185.09673	3.2
185.13271	16.9
187.11116	3.1
187.14861	9.1
189.11227	6.2
189.12764	3.3
193.10196	5.3
193.12363	4.0
195.11661	12.8
197.13283	14.9
199.11299	2.9
199.14842	10.4
201.12782	3.3
201.16425	4.1
207.11668	7.9
207.13754	3.9
209.13249	9.2
211.14851	10.1
213.12733	3.6
213.16473	4.4
215.14386	3.3
215.17879	2.7
219.11696	5.2
220.12433	3.3
221.13376	5.9
221.15431	3.4
223.14896	5.9
225.16470	4.5
227.12782	5.7
229.14272	6.4
232.36044	2.7
235.14877	5.4
237.16493	4.6
239.18013	6.0
241.19560	6.8
251.17975	4.6
257.19128	9.0
259.20441	14.8
269.17426	3.7
273.18637	5.2
275.20081	29.5
277.96396	3.1
281.17578	4.2
286.69073	2.6
287.20245	3.3
291.19531	5.5
301.21899	4.4
333.24182	10.3
349.23782	10.7
365.23782	4.7
365.28348	3.8
381.31393	3.0
421.31079	3.4
495.34311	4.1
513.35785	19.0
515.38379	10.2
527.37238	4.5
533.39557	6.3
543.36243	3.5
551.40802	3.2
589.42529	6.1
607.43585	61.3
608.43701	3.3
625.44659	100.0
626.44897	5.8
703.71332	2.8
715.45538	4.6
733.46472	6.9
751.47638	5.6
769.48181	9.8
787.50201	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	21.5
55.05521	41.8
57.03435	14.2
57.07074	4.5
61.02924	11.9
65.03946	3.5
67.05508	73.9
69.03416	9.7
69.07070	33.2
69.85519	13.0
71.04987	5.1
73.02901	4.2
76.04914	2.1
79.05494	64.0
81.03431	13.6
81.06596	4.2
81.07061	78.8
83.04966	10.6
83.08620	22.4
85.02915	13.5
85.06563	3.9
86.09698	9.8
88.75262	2.5
91.03931	7.7
91.05484	76.6
93.07048	70.5
95.04977	36.4
95.08611	42.0
96.91123	2.6
97.02892	9.8
97.06538	27.8
97.10164	10.2
98.20820	2.8
103.05458	2.9
105.07037	66.8
107.04968	15.2
107.08601	44.2
109.02908	2.8
109.06506	10.6
109.10181	21.4
111.08065	7.1
115.05446	7.0
117.07034	27.5
119.04903	3.1
119.08587	47.5
121.06519	11.1
121.10160	30.6
123.08046	8.6
123.11690	3.8
124.99999	6.3
125.09607	6.6
127.03977	3.3
128.06195	3.0
129.06976	12.4
131.08568	35.9
133.06494	10.9
133.10139	36.7
135.08057	12.5
135.11691	18.7
137.09607	7.1
141.06973	5.4
142.07755	6.1
143.08575	17.8
145.06491	3.4
145.10110	28.7
147.08055	19.5
147.11687	26.9
148.08842	2.6
148.11813	2.2
149.09628	12.6
149.13232	7.6
151.11208	3.0
152.03340	2.3
154.93147	2.4
155.08537	8.4
157.10164	14.2
159.07994	6.2
159.11682	22.0
161.09636	13.5
161.13234	15.8
163.11197	19.9
165.12723	2.9
167.08551	3.0
169.10120	8.8
171.11713	16.0
173.09634	4.6
173.13246	10.2
175.11180	7.1
175.14844	5.1
177.12772	5.5
179.14197	3.6
181.10120	6.2
183.11687	8.3
184.07384	22.4
185.09698	3.5
185.11760	2.4
185.13225	8.8
187.11174	4.6
187.14780	4.1
189.11211	4.9
189.12721	3.9
189.16454	2.3
192.22318	2.5
195.11667	3.6
199.14854	5.6
201.16281	3.3
205.12105	4.5
205.16075	2.8
207.13805	3.6
209.13295	5.0
211.14842	5.0
213.16335	4.0
215.14366	2.2
215.17969	2.5
225.16322	2.3
227.12683	3.0
227.18022	2.8
237.16541	3.2
241.19513	9.4
245.18985	4.1
247.20543	3.4
255.17479	3.4
257.19089	4.6
259.20590	25.3
261.22003	3.6
273.18500	68.8
275.20123	28.6
291.19543	9.9
315.23093	5.0
321.22308	2.9
331.23224	2.6
333.24323	23.9
335.25854	21.4
347.22208	29.0
349.23740	32.3
363.25327	2.7
485.32663	3.4
503.33463	15.3
517.35071	9.3
518.56683	2.3
533.39764	5.2
555.36847	6.8
607.43585	80.4
625.44580	100.0
719.86682	2.6
751.47729	3.4
769.49115	2.9
787.49078	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01675	1.9
55.01877	19.4
55.05514	36.6
57.03447	18.1
57.07074	4.5
61.02916	8.3
65.03937	5.8
67.05507	91.2
67.20391	1.7
69.03432	19.5
69.06734	2.7
69.07073	36.5
71.04994	8.8
73.02907	6.4
73.04747	1.6
75.04485	1.8
79.05494	69.1
81.03423	48.4
81.07059	100.0
82.07375	2.0
83.04988	14.2
83.08625	19.8
85.02917	13.5
85.06532	4.3
91.03935	3.8
91.05485	84.5
93.07047	69.7
95.01315	2.6
95.04977	19.8
95.08614	58.3
97.02891	17.3
97.06538	22.2
97.10158	7.8
99.04461	5.8
99.08077	5.2
103.05450	6.1
105.04531	2.5
105.07034	79.9
107.04962	15.2
107.08604	43.1
107.24810	2.1
109.02898	6.4
109.06536	9.7
109.10159	22.9
111.04436	3.5
111.08067	7.9
113.06062	2.0
115.05490	5.1
117.07028	33.1
119.04959	1.9
119.08594	60.6
121.06508	6.5
121.10149	30.6
123.04445	2.4
123.08066	9.3
123.11700	8.2
125.09634	6.4
127.03905	11.3
128.06227	5.7
129.05505	3.7
129.06999	19.5
131.04912	3.3
131.08574	38.6
133.06506	3.6
133.10141	44.1
135.08057	7.6
135.11703	19.5
137.09596	6.5
137.13223	1.8
139.11214	2.3
141.06985	8.6
142.07761	4.4
143.08574	21.2
145.06448	6.1
145.10127	30.8
147.08051	7.2
147.11699	32.6
149.09630	7.6
149.13274	10.8
151.11176	4.2
153.07018	3.3
155.08548	14.3
156.09415	2.9
157.10136	19.1
159.08031	3.2
159.11713	27.3
161.09663	6.8
161.13289	13.8
161.50209	1.8
163.11183	9.0
163.14871	2.5
165.09109	2.9
165.12740	5.7
167.08572	6.6
168.09302	2.2
169.10109	12.9
171.08051	2.5
171.11705	19.5
173.04466	19.7
173.09560	4.9
173.13255	17.2
175.11201	5.2
175.14850	10.6
177.12788	6.9
179.08530	3.5
179.14357	5.3
181.10077	10.0
183.08171	2.2
183.11708	11.9
185.09616	1.9
185.13269	10.6
187.11127	5.4
187.14833	7.2
189.11220	2.4
189.12827	3.3
191.14426	2.0
193.10175	4.2
193.12125	1.7
195.11711	8.3
195.13791	5.7
197.09526	2.5
197.13243	8.0
199.11172	4.5
199.14867	6.1
201.16335	3.5
203.14285	2.3
205.12108	2.1
207.11722	3.3
209.13281	4.6
211.14830	7.5
213.12787	3.9
213.16371	4.1
221.13319	3.7
223.14871	2.4
225.16423	3.7
227.12668	3.9
229.19241	2.0
231.21098	2.7
237.16377	3.5
239.14229	2.1
239.18063	3.4
241.19562	11.3
251.17856	2.4
257.18988	6.4
259.20593	17.7
261.22095	5.7
267.15790	4.6
269.17435	7.5
271.20529	2.8
273.18536	13.3
275.20056	29.3
291.19574	6.0
297.21991	4.5
301.21606	2.1
311.20221	2.4
311.23593	2.0
313.21655	2.6
315.23059	5.5
323.23868	2.3
327.23215	2.7
331.22885	3.5
333.24359	28.1
335.25897	14.4
335.49878	1.9
339.26898	2.7
347.22232	6.5
349.23923	18.7
367.22226	2.5
407.99484	2.5
411.20032	2.0
413.21725	5.9
435.32327	4.3
445.30728	2.2
509.36285	3.3
513.35822	7.0
515.38116	2.6
525.35406	2.5
527.37372	26.8
533.39801	3.2
543.36786	2.6
545.37866	2.8
551.40814	3.6
569.38629	2.3
607.43567	55.1
625.44519	54.4
635.39105	4.9
653.40558	8.9
671.41455	12.2
689.42401	17.3
691.45624	2.7
733.46283	4.5
751.47742	4.8
769.49377	8.8
787.50024	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	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	14.1
55.05272	3.6
55.05513	43.0
57.03440	17.9
57.07065	4.6
61.02914	9.9
65.03940	4.7
67.05508	86.8
68.89548	1.8
69.03437	24.3
69.06732	2.8
69.07072	38.7
69.18891	3.6
69.19298	14.9
71.04992	9.9
73.02916	7.6
75.83746	1.8
77.03920	2.3
79.05019	2.9
79.05492	74.4
81.03422	47.7
81.07059	100.0
83.04993	15.8
83.08623	19.5
85.02895	15.9
85.06527	4.2
87.04479	2.5
91.03970	4.0
91.05486	74.7
93.07047	84.0
93.07641	4.5
95.04982	18.0
95.08611	62.1
97.02889	22.3
97.06527	17.5
97.10163	8.5
98.20795	3.9
99.04467	7.6
99.08105	3.0
101.02354	2.6
103.05457	2.4
105.04530	3.2
105.07033	75.9
107.04955	11.1
107.08590	44.3
109.02902	9.8
109.06521	10.8
109.10149	24.1
111.04427	2.6
111.08090	7.1
115.03960	1.9
115.05460	5.9
117.07021	31.4
119.08587	50.7
121.06521	7.4
121.10133	31.4
123.04453	1.9
123.08065	10.1
123.11702	6.0
125.09637	5.7
127.03945	11.5
128.06233	6.4
129.05486	4.7
129.07014	25.1
129.09071	2.5
130.07780	3.1
131.08572	40.8
133.06509	5.2
133.10136	39.9
135.08061	8.2
135.11687	14.4
137.09595	8.3
139.11211	3.1
141.06990	8.2
142.07762	6.1
143.08554	24.9
145.06506	3.8
145.10123	39.5
147.08055	6.6
147.11694	29.4
149.09639	10.4
149.13237	12.6
151.11214	2.1
153.06992	3.5
154.07780	3.2
155.08553	18.4
157.10133	27.1
159.08057	4.9
159.11710	30.8
161.09627	5.7
161.13274	14.9
163.11211	6.4
163.14847	4.3
165.07019	2.6
167.08557	6.8
167.14226	1.9
168.09401	3.2
169.10138	21.3
171.10262	3.5
171.11664	22.8
173.04482	13.2
173.09662	5.0
173.13254	19.0
175.11226	3.3
175.14836	5.2
177.12737	3.6
179.08569	4.5
180.09262	1.9
181.10057	12.1
183.11661	17.8
185.09647	4.7
185.11746	2.9
185.13231	16.0
187.11198	2.5
187.14825	7.6
189.12810	2.3
193.10124	6.5
195.11717	14.0
195.13680	3.9
197.09561	2.4
197.13269	13.9
199.11162	4.4
199.14839	7.9
201.12756	2.8
201.16438	2.5
203.14304	3.7
203.17880	2.6
205.15759	2.0
207.11697	6.9
209.13234	5.8
211.14809	8.6
213.12799	4.7
213.16382	5.7
217.15959	2.6
221.13306	4.6
223.14838	6.7
225.12831	3.8
225.16359	6.3
227.18018	3.6
229.19550	2.3
231.17336	2.0
233.15359	2.6
237.16469	3.2
239.17967	3.6
241.19528	6.0
253.15930	3.8
257.18988	7.3
259.20633	14.5
261.22141	3.7
267.15970	6.2
267.21237	2.5
269.17465	4.4
271.20734	2.4
273.18576	10.1
275.20108	16.0
285.17166	2.1
289.21655	2.6
291.19501	6.4
301.21677	4.6
309.21957	2.2
313.21472	2.5
315.23157	4.3
325.21661	2.8
327.23181	2.7
331.22531	2.6
333.24310	11.0
335.26102	13.4
339.22922	2.5
347.22516	3.6
349.23779	7.0
363.26663	2.5
365.23270	2.7
367.22748	5.5
369.24350	4.9
385.23419	3.2
413.21536	3.0
435.32510	5.2
495.34839	2.3
499.34384	2.8
501.35736	2.9
513.35822	18.0
515.37799	8.8
527.37494	27.1
529.38660	2.5
533.39264	4.3
537.35736	2.1
543.36322	2.5
545.38641	4.4
551.40430	6.9
553.39056	2.6
557.38367	2.5
567.40625	2.7
597.44824	2.7
607.43567	58.5
623.41888	3.1
625.44684	77.0
626.44958	3.3
635.39282	4.3
653.40131	7.5
671.41034	8.5
689.42578	18.2
715.44879	3.3
733.46490	6.9
751.47412	7.0
769.49060	16.7
787.50043	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	20.3
55.05514	28.0
57.03442	10.0
57.07074	1.9
61.02920	3.9
65.03950	6.0
67.05508	62.1
69.03443	4.8
69.07072	36.6
70.09693	4.0
71.04999	4.0
73.02921	1.0
77.03902	1.6
79.05496	56.5
81.03421	14.2
81.07062	75.0
83.05000	8.8
83.08616	10.9
85.02906	3.2
85.06541	3.3
87.04406	1.1
89.32232	0.9
91.05485	84.6
93.07048	61.5
95.01322	8.5
95.04969	12.3
95.08612	49.8
97.02901	4.6
97.06536	32.9
97.10173	6.2
98.20825	1.2
99.08081	1.7
103.05489	3.7
105.04531	2.3
105.07037	100.0
107.04964	18.7
107.08598	30.7
109.02875	2.2
109.06516	7.6
109.10164	14.2
111.04448	1.6
111.08094	5.2
113.09692	1.2
113.46339	1.2
115.05449	2.7
117.07021	30.7
119.04906	1.5
119.06114	1.3
119.08587	58.3
121.06541	7.0
121.10146	18.8
123.04426	4.1
123.08061	7.7
123.11722	3.1
125.09655	4.3
127.03905	1.3
128.06258	3.3
129.05504	1.9
129.07007	11.7
130.07776	1.6
131.04962	1.8
131.08574	35.0
133.06483	3.0
133.10135	51.7
134.77933	1.1
135.08070	4.5
135.11716	14.0
137.09633	3.7
137.13277	1.5
139.07576	2.5
139.11194	1.4
141.06989	4.1
142.07764	2.9
143.08577	11.8
144.09457	1.3
145.06512	3.6
145.10136	30.0
147.08064	3.6
147.11690	29.0
149.09641	9.6
149.13295	7.3
151.11168	3.3
155.08562	3.7
156.09393	1.3
157.10152	11.9
159.08066	3.3
159.11700	19.0
161.09648	5.0
161.13255	15.8
163.11136	6.6
163.14783	2.4
165.06998	1.1
165.09106	3.9
165.12743	1.8
167.08618	2.4
168.09354	1.3
168.76433	1.1
169.10178	6.2
171.08069	1.5
171.10394	1.8
171.11693	10.6
173.13281	10.4
175.11252	3.2
175.14821	8.2
177.12788	3.8
179.08553	1.6
179.14334	10.5
181.10161	3.3
183.11682	6.2
185.09627	1.2
185.11923	1.2
185.13263	7.1
187.11206	4.7
187.14833	2.8
189.11267	1.1
189.12781	3.1
193.12195	1.1
195.11705	3.2
197.13271	3.3
199.11234	1.3
199.14873	2.7
201.12686	1.3
201.16362	2.2
203.14389	1.0
205.12288	2.3
209.13275	3.0
211.14787	1.3
213.16385	2.0
215.17953	2.8
219.13805	1.3
219.17476	3.8
223.15053	1.5
225.16534	1.4
227.12762	1.6
227.17860	1.5
229.19574	2.9
231.17525	1.3
231.21135	2.2
239.18054	2.8
241.19514	17.6
243.20984	1.4
247.20587	2.8
255.17648	1.9
257.18976	8.1
259.20569	23.0
273.18546	12.7
275.20068	60.0
276.20428	1.2
277.21597	3.0
279.15887	2.4
291.19601	4.9
293.21066	4.6
310.62222	1.3
315.23264	9.4
331.22891	1.5
333.24261	46.7
335.25882	10.3
347.22195	4.3
349.23785	42.5
365.23367	1.6
437.34180	2.7
483.34247	2.1
511.37790	1.3
513.35748	3.3
515.38757	1.6
533.39758	1.5
551.41003	1.5
607.43579	70.8
608.43823	2.4
625.44690	27.4
634.87085	1.2
715.45734	1.4
751.47992	1.6
787.49353	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01678	1.4
55.01880	16.3
55.05515	31.2
57.03443	14.4
57.07067	4.0
61.02928	11.2
63.70560	1.4
65.03940	4.9
67.05511	68.8
69.02161	1.1
69.03432	13.6
69.07072	34.0
69.28057	3.2
69.28459	8.4
71.04993	7.2
71.08627	2.0
73.02923	5.2
73.29683	1.3
77.03926	1.8
79.05499	49.9
81.03429	18.8
81.07064	70.4
83.05003	8.6
83.08620	19.4
85.02911	14.7
85.06536	5.8
91.03954	6.0
91.05486	54.3
93.07052	53.2
93.07643	2.6
95.04983	9.6
95.08611	47.3
97.02898	16.3
97.06544	22.1
97.10183	11.2
99.04454	2.9
99.08112	3.0
101.02419	2.0
103.05469	1.9
105.04506	2.5
105.07039	51.5
105.33077	1.3
107.04936	7.3
107.08597	36.1
109.02898	5.2
109.06544	8.8
109.10170	25.9
111.08091	4.7
115.05450	3.7
117.07021	22.1
119.08590	39.1
121.06503	5.5
121.10152	18.9
123.08071	4.9
123.11709	5.6
125.09633	8.5
127.03905	4.0
127.07554	1.5
128.06226	5.5
129.05504	2.5
129.07010	22.2
130.07773	1.9
131.08582	30.6
133.06517	3.0
133.10152	30.1
135.08060	4.4
135.11714	11.1
137.09636	5.1
139.11110	1.9
141.06982	7.2
142.07811	5.7
143.08559	23.6
144.09366	1.8
145.06522	3.5
145.10144	31.2
147.08080	4.2
147.11691	21.4
149.09621	10.1
149.13260	5.1
151.11235	2.1
153.06992	2.6
154.07794	3.1
155.08572	15.5
156.09361	3.3
157.06477	1.7
157.10138	22.7
159.08073	2.7
159.11696	21.9
161.09608	3.4
161.13309	9.7
163.11203	6.1
163.14833	2.8
165.07007	1.8
165.12720	2.4
166.07816	1.5
167.08556	7.6
168.09363	1.8
169.10126	18.2
171.08035	1.6
171.11693	19.3
173.04541	2.6
173.09648	2.9
173.11867	1.8
173.13266	13.2
175.11244	4.7
175.14825	5.0
177.12802	2.3
179.08569	4.3
180.09364	2.2
181.10188	9.7
183.11703	20.4
184.07372	2.9
185.09581	2.3
185.13268	16.9
187.11241	3.0
187.13364	1.5
187.14783	7.0
189.11197	2.0
189.12749	2.9
193.10156	4.5
195.11713	11.2
195.13432	1.8
197.13310	16.1
199.14845	9.0
201.16371	3.3
207.11708	4.7
207.13828	1.4
209.13266	11.3
211.14758	6.7
213.12697	2.4
213.16400	5.8
215.14383	2.1
215.17932	2.1
217.16100	2.1
219.11784	3.5
221.13216	5.5
223.14812	6.3
225.12854	1.7
225.16409	4.3
227.12706	2.9
229.14282	4.4
229.19475	3.1
235.14888	3.9
237.12613	1.8
237.16418	4.2
239.17906	4.0
241.19588	4.7
245.19080	2.1
247.20692	1.5
249.16420	2.3
251.18105	3.2
253.19649	2.0
257.19016	4.8
259.20581	11.0
264.71881	1.4
265.19522	2.1
267.15778	1.5
269.17484	4.2
271.20566	1.6
271.24243	1.5
273.18484	3.7
275.17380	2.2
275.20105	19.9
281.18628	1.2
287.20264	1.8
293.21222	2.3
295.20590	2.4
297.22083	2.4
301.21661	2.7
309.21964	1.8
315.23151	1.7
327.23264	2.0
333.24387	9.0
347.23587	1.7
349.23859	10.7
365.23676	1.8
365.28348	2.7
367.25592	1.6
379.29929	2.2
381.31705	1.7
385.23718	1.8
395.29541	2.2
409.31165	1.6
421.31061	5.7
433.83173	1.5
439.32141	2.2
445.30484	1.4
487.34137	1.6
495.34741	5.5
513.35846	36.5
515.38361	6.1
527.37598	9.5
533.40283	7.6
539.37152	1.7
543.36731	1.8
544.36938	2.3
551.40820	4.7
561.37140	1.7
562.37952	2.4
567.39893	2.1
589.42517	1.8
607.43573	60.9
608.44037	3.4
625.44666	100.0
626.44879	4.6
649.44812	1.7
671.41608	1.7
689.41406	3.0
733.46362	4.8
751.47406	3.6
769.49042	9.2
787.50061	14.9
793.42932	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.6
55.05514	44.5
57.03439	13.9
57.07077	3.0
61.02931	11.7
65.03940	4.7
67.05510	100.0
69.03436	14.5
69.06728	2.0
69.07075	26.5
71.01368	2.0
71.04997	6.5
71.08632	2.5
71.51958	1.1
73.02918	5.4
76.29670	1.5
76.91734	1.2
77.03948	2.7
77.60452	1.4
79.05499	79.6
81.03425	31.7
81.07063	98.8
83.04997	11.5
83.08622	21.5
85.02908	15.0
85.06536	3.1
85.64535	1.3
91.03969	3.7
91.05486	61.3
92.64707	1.3
93.07050	76.3
95.04974	25.0
95.08609	56.3
97.02891	15.4
97.06538	11.8
97.10177	16.9
98.21497	5.4
99.04465	3.8
99.08095	1.9
101.02394	2.0
103.05485	3.5
105.04530	2.4
105.07037	57.3
107.04956	19.5
107.05630	1.5
107.08593	34.6
108.08903	1.4
108.75391	1.2
109.02887	5.2
109.06528	11.0
109.10168	24.9
111.04450	5.5
111.08078	6.5
113.05987	1.3
115.05458	4.3
117.07026	25.3
118.29334	1.3
119.04945	4.2
119.08589	51.5
121.06539	9.6
121.09329	2.0
121.10158	26.7
123.08065	12.2
123.11733	7.4
125.09622	12.7
127.03952	7.2
127.04800	1.3
128.06264	3.6
129.07027	14.3
131.04890	2.3
131.08569	27.2
133.06505	8.5
133.10139	28.4
135.04372	1.7
135.08054	10.0
135.11694	16.2
137.09634	6.4
139.07533	1.8
141.07013	3.6
141.09097	1.6
142.07819	3.2
143.08566	15.9
145.06512	7.5
145.10127	26.6
147.08058	14.6
147.11682	16.4
149.09633	8.8
149.13284	8.0
153.09135	2.1
153.12756	2.6
155.05925	1.4
155.08560	5.6
157.06558	3.0
157.10141	13.0
159.08063	9.0
159.11697	18.3
161.09627	19.8
161.13234	6.6
163.07643	1.8
163.11185	16.2
163.14842	3.1
165.09103	3.8
165.12801	2.1
169.10152	5.3
171.08066	2.9
171.10374	2.5
171.11646	10.9
173.05949	1.6
173.09660	4.9
173.13234	7.6
175.11206	8.6
175.14813	4.1
177.12744	4.2
181.10135	3.5
181.12227	2.1
183.11694	3.9
184.07298	3.3
185.09595	3.8
185.13300	5.4
187.11197	5.8
187.14902	3.9
189.11253	7.6
189.12753	2.3
191.10657	3.2
193.10425	1.6
193.12263	6.0
195.11748	2.3
197.09590	1.3
197.13318	3.0
199.11237	3.4
199.14801	3.8
201.09196	1.8
203.10760	2.3
205.12311	2.4
209.13287	2.8
211.14777	1.9
213.12794	2.0
213.16440	1.5
223.13295	1.8
227.12759	8.6
227.17967	2.1
229.12302	2.4
229.19604	1.4
237.16425	2.1
239.18047	1.6
241.19510	4.6
243.21056	2.7
245.19005	6.2
247.13338	1.5
255.17447	6.0
257.19043	4.1
259.20572	11.2
261.22189	4.7
267.12344	3.4
271.16962	3.1
271.20108	1.4
273.18509	67.0
275.20053	15.4
285.18741	1.7
291.19553	23.5
303.19592	1.7
311.23749	1.5
315.19656	3.0
315.23093	3.1
327.19644	1.6
329.21332	3.2
333.24289	12.4
335.25821	79.1
336.26141	2.3
339.19638	3.5
347.22202	26.5
349.23682	10.2
351.25046	1.7
353.20987	1.4
357.20480	2.2
365.23309	10.9
381.20535	4.3
399.21738	2.2
417.22559	1.9
435.23868	2.3
509.27127	2.1
513.35779	1.9
515.37756	1.6
518.88422	1.5
533.39734	3.1
607.43677	24.2
625.44611	61.8
667.45282	4.6
709.60620	1.5
715.45508	3.2
721.47394	1.7
733.45996	3.5
751.47650	3.4
769.48413	5.5
787.50104	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	786.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05514	12.6
57.03439	11.4
57.07072	1.9
59.05000	3.8
61.02931	3.2
65.03940	3.2
67.05506	100.0
68.05849	1.1
69.03422	6.7
69.07066	12.1
69.30935	3.5
69.31342	1.5
71.04996	5.3
73.02892	1.0
75.89468	0.6
79.05149	0.6
79.05495	28.7
81.03422	2.6
81.07056	46.5
82.07386	0.9
83.04986	3.0
83.08624	11.2
85.02909	3.0
85.06545	3.5
86.09691	1.2
91.03971	0.9
91.05486	21.5
93.07045	32.9
95.04969	6.9
95.08610	31.6
97.02917	2.1
97.06527	4.0
97.10161	4.5
99.04504	0.7
99.08123	1.4
105.04498	0.8
105.07031	15.2
105.07683	1.0
107.04962	3.9
107.08601	19.7
109.02954	0.6
109.06524	3.9
109.10160	76.4
110.10515	0.9
111.08083	3.9
113.09653	0.7
117.07005	7.2
119.08586	13.6
119.09377	1.1
120.08990	0.8
121.06544	0.9
121.10146	16.8
123.08090	2.0
123.11726	3.2
124.99978	0.7
125.09653	3.0
129.07018	2.3
131.08578	10.3
132.08952	0.8
133.06554	1.0
133.10136	9.3
135.08098	1.2
135.11711	8.5
137.09613	4.4
137.13277	1.4
139.07556	0.7
139.11183	1.0
141.06996	1.3
142.07750	0.9
143.08553	2.0
145.06517	0.7
145.10121	8.5
147.08113	1.4
147.11716	5.5
149.09723	1.9
149.13264	5.8
151.11203	1.0
151.14862	0.8
155.08633	0.8
155.10658	5.9
157.10161	1.4
159.11708	6.7
161.09634	0.8
161.13269	4.1
163.11227	1.6
163.14871	2.7
165.12714	0.8
169.10281	0.9
171.11705	1.7
173.11772	18.3
173.13292	3.4
175.11250	0.8
175.14844	1.2
177.12788	0.8
177.16447	1.4
181.10120	0.8
184.07410	2.7
185.13313	0.9
187.11168	1.1
187.14874	2.3
189.11259	1.6
201.16437	0.9
219.17390	0.8
227.12778	5.1
229.14349	84.6
230.14769	1.6
243.21078	5.0
247.81941	0.7
259.20639	0.8
261.22134	18.8
269.31897	0.8
275.20026	4.6
289.03448	0.8
293.21033	1.1
297.17163	1.3
311.18506	0.7
317.24924	2.0
329.19528	3.1
333.24435	1.2
335.25800	79.8
336.26291	1.3
349.23831	2.2
379.30225	1.0
384.22702	0.7
397.30890	1.5
413.21997	1.2
415.32162	0.8
471.34631	3.1
489.35754	86.0
490.36475	2.7
507.36740	9.0
539.37622	1.4
543.36816	4.3
557.38208	4.9
589.40887	4.5
606.42737	1.4
607.43689	1.0
624.43579	3.5
625.44434	0.8
645.46948	1.2
687.41052	4.1
786.48969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01634	1.5
55.01876	15.0
55.05513	40.2
57.03204	1.8
57.03443	21.9
57.07065	5.2
59.04991	4.1
61.02914	3.6
65.03947	5.7
65.55347	1.0
65.66058	1.1
67.05508	100.0
68.05827	1.4
69.03097	1.9
69.03436	30.6
69.07072	29.0
69.26238	10.7
71.01342	2.5
71.04658	1.4
71.04996	17.8
73.02902	1.3
73.06538	2.0
75.04478	1.3
79.05497	87.1
79.99190	1.1
81.02928	2.4
81.03422	77.7
81.07059	82.0
83.01353	6.9
83.04993	30.0
83.08625	25.6
85.02913	13.5
85.06535	4.7
86.09709	3.8
91.04905	1.8
91.05486	60.8
93.07049	85.1
95.04982	19.7
95.08610	60.7
97.02895	17.7
97.06545	12.9
97.10167	18.3
99.04463	10.5
99.08087	2.4
101.02367	1.5
103.03947	1.4
103.05453	2.7
105.04505	3.2
105.07034	44.4
107.04232	1.1
107.04962	22.3
107.08601	54.4
109.02879	15.7
109.06530	9.6
109.10159	27.4
111.04445	15.7
111.08088	10.4
113.03378	1.1
115.05474	3.2
117.07032	26.6
118.76811	1.2
119.08585	41.3
121.06497	7.0
121.09332	2.2
121.10153	34.0
123.04391	3.3
123.08079	8.2
123.11711	7.9
125.05973	1.9
125.09624	14.1
127.03919	19.5
128.06197	2.8
129.05548	1.6
129.07014	13.3
130.07793	3.6
131.04903	2.5
131.08569	29.6
133.06526	2.4
133.10135	19.3
135.08066	6.7
135.11699	38.0
137.05962	2.3
137.09621	3.0
137.13199	1.2
139.11125	1.6
141.06984	2.2
142.07739	3.5
143.08559	11.8
145.06503	4.1
145.10133	38.0
147.08022	5.1
147.11696	13.3
149.05949	2.1
149.09637	4.5
149.13258	6.8
151.11215	1.4
153.09093	2.2
153.12749	23.9
155.08583	6.5
157.10117	9.6
159.08084	2.0
159.11717	12.7
161.09612	3.0
161.13292	7.4
163.11188	32.8
163.12552	2.3
163.14851	3.2
165.05481	1.8
165.12727	1.8
169.10127	4.7
171.11665	6.2
173.04433	5.0
173.09621	8.0
173.13254	9.0
175.11169	3.1
175.14833	3.1
177.12724	1.9
181.10176	3.4
181.12225	15.7
183.11646	3.9
184.07323	6.8
185.13268	4.1
187.11217	2.5
187.14790	5.0
189.11253	8.1
189.12747	1.9
191.10709	12.7
193.12204	4.0
195.11681	2.8
197.13309	1.9
199.11215	1.4
199.14871	2.1
201.16330	2.3
207.13911	1.7
209.11699	7.2
209.13408	2.3
211.11241	1.5
211.14876	1.7
223.14877	2.5
227.10551	2.2
227.12778	42.0
235.14992	1.5
241.19539	2.0
243.21068	4.6
259.20557	4.3
261.22147	9.5
263.12610	1.3
265.14319	7.6
267.15872	3.1
275.12775	2.5
275.20178	1.3
283.15396	24.4
283.20352	2.0
299.23682	8.4
301.16589	1.6
301.21753	1.4
315.23123	1.6
317.13937	1.5
317.24805	1.7
324.09564	1.2
333.24216	3.5
335.14886	2.8
335.25815	89.0
353.15979	13.5
369.24191	3.5
405.26376	2.0
409.18335	3.0
425.26910	1.7
427.19650	79.7
433.31036	4.1
451.32266	6.9
461.28748	1.6
469.33017	4.1
479.30081	1.7
487.34036	2.5
499.33945	1.6
507.34433	1.7
525.35779	20.8
543.36829	100.0
544.36993	3.2
561.37567	4.2
597.38062	1.8
609.38049	1.5
633.38251	1.3
639.39105	1.3
642.79712	1.2
651.39362	2.5
669.39117	5.5
687.41052	56.8
687.52911	3.0
688.41174	3.3
705.42065	18.2
786.52673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.6
55.05515	34.9
57.03440	16.0
57.07072	4.6
59.04987	3.0
61.02924	1.8
65.03929	4.5
67.05509	84.9
69.03431	16.6
69.06725	1.6
69.07074	20.6
69.28665	9.1
71.01348	2.0
71.04993	14.0
73.02905	1.7
73.06599	0.9
77.03900	1.1
78.56636	0.9
79.05497	72.7
81.02927	2.0
81.03423	56.7
81.07061	75.9
83.01363	5.3
83.04984	22.7
83.08629	19.3
85.02917	10.1
85.06535	3.3
86.09702	1.8
91.04912	1.9
91.05488	47.8
93.07048	86.1
95.04972	17.3
95.08614	55.2
97.02891	14.6
97.06528	11.8
97.10171	11.4
99.04458	8.2
99.08087	1.9
101.02363	1.0
103.05421	1.9
105.04513	2.5
105.07036	32.7
105.55788	0.9
107.04965	17.5
107.08601	46.3
109.02888	12.4
109.06541	7.1
109.10162	21.3
111.04456	13.3
111.08100	7.2
115.05464	2.2
116.06214	1.1
117.07026	17.4
119.04986	1.4
119.08593	28.5
119.09435	0.9
121.06530	4.8
121.10150	31.3
123.04396	2.3
123.08077	8.6
123.11721	5.7
125.06019	2.2
125.09660	7.0
127.03922	14.6
128.06215	1.7
129.05496	2.4
129.07005	8.7
130.07790	3.0
131.04916	1.3
131.08577	19.5
133.06487	1.7
133.10138	13.8
135.04434	1.3
135.08093	4.9
135.11690	29.3
137.05907	1.3
137.09625	2.0
139.07463	1.1
139.11176	0.9
141.06990	1.5
142.07796	2.0
143.08588	4.8
145.06467	2.6
145.10130	26.9
147.04361	1.1
147.08064	3.1
147.11681	8.1
149.09650	3.2
149.13246	4.5
151.11180	2.3
153.12756	17.5
154.07814	1.4
155.08542	5.8
157.10153	4.6
159.08058	1.1
159.11711	9.7
161.09656	2.0
161.13232	5.1
163.11182	26.9
163.14803	1.2
165.05461	1.3
169.10165	2.5
171.10321	1.1
171.11674	4.0
173.04358	2.1
173.09572	5.2
173.13237	6.0
175.11227	1.5
175.14804	2.2
177.16389	1.3
178.43802	1.0
181.10135	1.3
181.10666	1.5
181.12257	12.4
183.06573	1.3
183.11676	2.7
184.07353	3.5
185.13257	2.7
187.14867	4.3
189.09030	1.0
189.11200	2.3
189.12717	1.9
191.10652	10.8
193.10431	0.9
193.12305	3.0
195.11711	1.1
197.13213	1.0
199.11107	1.3
199.14873	2.0
201.16422	1.9
209.11656	5.5
209.13351	1.3
211.13208	1.7
223.14940	1.1
227.12798	30.0
231.13850	1.2
241.19534	1.8
243.21127	3.5
259.20496	2.7
261.22110	7.1
265.14371	5.4
267.15924	2.3
275.12906	1.4
283.15411	16.1
289.14465	1.4
299.23798	4.7
301.16467	1.9
303.23007	1.0
315.23077	1.4
317.24744	2.8
333.24207	1.8
335.25818	100.0
336.26102	2.5
351.23135	2.9
353.15979	7.9
353.24982	1.5
369.24197	2.3
396.87244	0.9
409.18536	2.9
427.19653	55.8
433.30972	1.5
451.31946	3.5
461.29114	1.2
469.33072	3.8
485.20837	1.0
499.34271	1.1
515.37537	1.4
525.35742	12.6
543.36841	82.6
544.36761	4.0
561.37860	5.6
575.39258	1.3
577.34283	1.2
669.39496	3.0
687.41046	67.0
688.41132	1.9
705.42059	21.2
763.49146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84673	0.8
55.01876	9.0
55.05511	31.9
57.03435	8.2
59.04982	1.4
59.11911	1.0
61.02909	1.3
65.03928	3.1
67.05505	53.8
69.03421	4.6
69.07071	19.4
70.06590	2.1
70.76407	1.9
71.05002	4.5
72.74039	1.0
73.06534	2.0
77.03904	1.7
79.05495	71.9
80.05818	1.3
81.03426	14.9
81.07054	80.9
82.07371	1.2
83.04504	1.3
83.04978	18.6
83.08149	1.4
83.08617	16.4
84.08105	1.0
85.02890	4.1
85.06518	3.0
86.09694	1.2
91.05482	52.3
93.07045	60.4
95.04965	25.8
95.08607	29.9
97.02879	2.7
97.06529	9.5
97.10171	17.9
99.04435	1.7
99.08051	2.4
103.05447	1.2
105.04498	1.9
105.07033	43.0
107.04967	13.3
107.08596	27.1
109.02863	1.7
109.06522	13.4
109.10159	12.0
111.04443	9.4
111.08080	6.3
115.05471	1.0
117.07013	16.5
119.04950	1.6
119.08578	32.0
121.06506	8.6
121.10142	12.4
123.04367	1.5
123.08068	20.9
123.11698	1.2
125.08804	0.9
125.09636	16.7
128.06181	4.1
129.07007	17.4
131.08557	14.9
133.06506	4.9
133.10139	16.7
135.08067	8.1
135.11673	5.7
137.09604	4.3
138.64963	1.0
139.07492	1.2
141.07001	2.0
142.07770	1.3
143.08557	13.7
145.06458	3.0
145.09055	1.5
145.10127	18.2
147.08040	11.3
147.11682	24.0
149.09605	6.5
150.01271	0.9
151.46988	0.9
153.09068	2.6
153.12723	6.3
153.13768	1.0
155.08531	2.6
156.09242	1.2
157.10150	6.7
159.08032	2.6
159.11708	5.4
161.09641	11.1
161.12070	1.3
161.13228	7.6
163.11177	17.2
165.09103	4.3
165.12848	1.4
169.10071	1.9
171.10278	2.3
171.11681	19.8
173.04515	1.1
173.09590	2.9
173.13200	1.2
175.11177	3.9
177.12689	2.7
179.10756	1.1
179.14285	1.2
181.12210	6.4
183.11652	1.1
184.07381	2.1
185.09636	1.2
185.13226	2.3
187.11205	1.8
189.09494	1.5
189.11182	9.2
189.12753	7.3
191.10693	5.5
193.12202	3.2
195.11729	1.8
196.97510	1.1
199.14763	1.7
201.16400	1.4
205.12250	1.4
207.13805	16.7
209.11621	1.4
223.13223	5.0
227.12764	17.2
227.17871	2.6
237.16313	1.1
245.18967	3.3
249.14935	2.3
255.17419	4.1
273.18500	43.1
275.20029	3.3
279.15988	1.2
281.17477	82.8
282.17691	1.4
283.15384	4.6
291.19543	54.7
292.19955	1.2
309.20462	5.0
329.21005	1.4
347.22165	12.4
365.23233	28.1
383.24347	6.6
400.93787	1.1
445.29431	2.8
451.26663	4.8
461.30048	1.1
473.28741	2.7
485.28696	1.2
489.28363	2.1
497.32681	1.3
502.67041	1.0
507.29221	1.9
535.34210	1.6
553.35187	27.4
554.34875	1.2
571.36292	100.0
572.37250	1.9
589.37445	33.5
590.36829	1.2
624.43732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.3
55.02060	2.3
55.05398	17.0
55.05699	8.0
57.03320	5.5
57.03627	2.2
57.06989	1.4
58.72308	0.6
59.04897	0.9
61.02803	8.3
61.03153	3.2
65.03822	1.9
65.04128	0.9
67.05371	30.3
67.05776	9.3
67.06008	1.4
69.03294	8.8
69.03712	2.7
69.06931	11.1
69.07352	3.3
69.38185	4.9
71.01241	0.9
71.04855	3.6
71.05280	0.9
73.02779	5.2
73.03219	1.1
77.03802	1.5
79.05349	32.4
79.05869	6.9
80.51373	0.7
81.03270	10.9
81.03793	2.4
81.06909	48.4
81.07443	10.1
83.04828	5.2
83.08471	10.4
83.09013	2.2
85.02760	10.5
85.03313	1.6
85.06409	2.0
87.04356	0.9
91.03801	5.2
91.05325	29.3
91.05959	4.6
93.06885	26.8
93.07542	4.3
95.04809	11.6
95.05473	1.5
95.08449	20.8
95.09119	3.1
97.02731	11.0
97.03424	1.6
97.06367	4.1
97.10006	8.0
97.10696	1.1
99.04296	2.5
99.04848	0.7
99.07978	0.9
101.02264	1.3
101.02888	0.8
101.05946	0.9
103.05337	1.1
105.04371	1.7
105.06865	27.8
105.07645	3.4
107.04787	7.3
107.08425	16.7
107.09202	2.0
109.02710	3.7
109.06342	20.4
109.07159	2.4
109.09984	11.8
109.10780	1.2
111.04262	2.8
111.07913	3.8
113.05982	0.7
115.05291	3.0
115.06020	1.2
117.06843	14.7
117.07736	1.5
119.04808	0.9
119.08395	22.5
119.09344	2.5
121.06307	4.8
121.09956	9.3
123.04298	1.0
123.07888	4.5
123.11584	1.8
125.05877	0.8
125.09451	7.5
126.29952	0.7
127.03724	2.8
127.04529	0.8
128.06032	3.4
129.05385	1.0
129.06821	11.8
130.07669	1.3
131.04758	1.2
131.08385	17.6
133.06313	2.7
133.09943	13.5
135.07867	4.4
135.11505	6.3
137.05873	0.9
137.09401	2.6
137.13081	0.7
141.06793	5.3
142.07567	2.4
143.08374	11.8
143.09581	0.8
144.09174	1.1
145.06297	2.6
145.09933	16.5
145.11154	1.2
147.08049	4.3
147.11496	8.4
149.09602	4.1
149.13052	2.4
151.07378	1.3
151.11041	1.0
153.06856	1.3
153.08986	1.2
153.12492	1.0
154.07635	1.6
155.08575	9.1
156.09033	0.8
157.06305	2.4
157.10133	12.4
159.08035	3.8
159.11702	10.6
160.08670	0.7
161.09628	7.1
161.13251	5.4
163.11176	4.7
163.14737	0.7
165.06793	2.4
165.09006	1.2
165.12602	1.2
166.07600	1.8
167.08519	4.6
168.09155	1.9
169.06369	0.9
169.10112	9.9
171.07826	2.2
171.11674	11.4
173.09436	3.1
173.11880	1.0
173.13074	5.0
175.10997	2.1
175.14615	2.0
177.12505	2.3
178.07599	1.2
179.08530	3.5
181.10095	6.8
181.11517	1.2
183.07910	1.6
183.11674	9.2
185.09648	3.2
185.13260	5.8
187.10986	2.0
187.12685	0.8
187.14629	2.5
189.11053	3.1
189.12633	1.9
189.16254	1.0
191.08447	1.2
191.10445	0.8
191.14275	0.9
192.09172	0.9
193.09929	3.9
193.11816	1.3
194.10710	0.8
195.07970	1.1
195.11699	7.9
196.12096	0.8
197.09392	2.3
197.11435	0.8
197.13263	7.9
199.10995	2.9
199.14810	4.0
201.12544	1.3
201.16151	1.0
205.09938	2.0
205.11943	1.0
206.10713	0.9
207.11517	3.6
207.13516	1.5
209.09491	1.3
209.13263	6.7
211.10985	2.1
211.14795	4.5
212.11775	0.9
213.12595	1.8
213.16151	3.0
215.14198	0.8
219.11496	2.3
221.13246	3.5
223.11053	1.4
223.12851	1.4
223.15002	3.9
225.12544	1.6
225.16109	2.6
226.13368	0.7
227.12645	4.4
227.17795	1.7
229.14127	1.2
233.13148	1.1
235.14705	2.2
237.12518	1.1
237.16188	2.3
239.14171	1.2
239.17853	1.7
241.15669	1.2
241.19382	1.8
243.17526	1.0
245.18826	1.4
247.14655	0.9
251.14090	1.0
251.17725	2.1
253.15791	1.1
253.19391	1.0
255.17233	2.0
255.20869	1.0
257.19028	3.4
259.20636	3.2
263.17764	1.0
265.15628	0.8
265.19473	1.5
267.15527	1.4
269.18567	0.8
271.16849	1.6
271.19931	0.7
273.18512	6.7
275.20184	5.2
281.17322	0.9
291.19470	6.0
293.20889	1.2
297.18475	0.9
297.21997	1.0
309.21570	0.9
311.20062	1.0
313.21671	0.9
315.19412	1.3
321.21936	1.1
323.19940	1.1
323.23459	0.8
325.21613	1.5
325.25269	1.4
327.22888	1.7
331.22949	1.1
333.24509	5.6
335.19482	0.8
337.21368	1.1
339.23157	1.4
339.26807	1.6
347.22064	2.7
349.23447	2.9
351.22714	1.2
353.24692	1.0
363.26624	1.9
365.23080	2.3
367.22461	1.1
375.26727	1.6
377.28061	2.3
379.29950	1.7
381.27679	1.2
391.25864	0.8
395.29443	1.0
419.29556	1.2
442.92862	0.9
445.30695	0.9
461.29926	1.1
463.31549	0.7
495.35199	1.2
497.31720	1.2
499.33923	2.5
503.38919	0.9
513.37335	3.6
515.33618	1.6
529.35547	0.9
531.38159	5.0
541.35059	1.1
543.36273	0.8
549.39081	3.1
553.35059	2.7
554.36035	2.4
555.36646	1.1
595.43561	1.4
605.42108	17.1
606.41766	1.1
623.43085	100.0
624.43481	3.4
641.44128	1.0
647.43182	1.1
665.44348	1.6
716.41223	0.8
731.45093	2.9
749.46637	2.8
767.47388	5.4
785.33984	1.4
785.48444	24.3
786.49170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05503	1.4
56.05021	0.9
57.03428	0.8
58.93037	0.4
61.02921	0.9
67.05510	3.3
69.03430	0.7
69.07085	2.1
69.87125	1.6
71.04984	0.7
71.08630	0.3
73.02898	0.6
74.09715	0.6
77.76605	0.4
79.05489	3.2
80.05823	0.5
81.03423	1.3
81.07071	4.2
83.04988	0.7
83.08642	0.8
84.25179	0.4
85.02916	1.2
86.09711	100.0
87.10053	0.5
91.04002	0.5
91.05487	3.0
93.07047	2.4
95.04971	1.6
95.08605	2.3
97.02911	1.0
97.06557	0.6
97.10195	0.6
98.09702	1.2
98.21402	0.7
103.05476	1.1
105.07039	3.8
107.04983	0.8
107.08596	1.8
109.02892	0.6
109.06535	0.8
109.10173	1.0
110.09701	0.6
112.11241	6.9
117.07044	1.0
119.08610	1.7
120.08116	40.6
121.06516	0.4
121.10162	1.0
123.08079	0.4
125.00003	0.5
129.07034	0.7
131.08594	1.4
133.10175	1.1
135.11696	0.7
143.08606	0.7
145.10165	1.2
146.09648	2.2
146.10696	0.3
147.11705	0.7
149.09633	0.5
154.15910	17.0
157.10069	0.8
157.13374	10.6
159.11748	0.8
163.11156	0.4
165.12901	0.4
169.10124	0.4
171.11623	0.6
173.13275	0.4
180.57935	0.3
184.07312	2.4
185.12868	12.6
188.14362	7.8
188.15913	0.5
191.11899	0.4
197.13190	0.4
199.18071	16.3
209.16478	0.7
219.11368	1.3
225.19623	5.8
227.17551	13.4
233.16501	16.6
235.18192	0.5
243.15053	0.4
253.19099	6.5
259.18118	2.1
261.16003	14.9
267.24323	8.2
267.26886	0.5
273.18549	0.7
274.18991	0.7
275.20184	1.1
277.23004	0.5
287.17603	3.0
291.19565	0.8
292.20047	0.5
295.23895	3.8
296.44647	0.4
298.21277	8.8
301.20105	1.0
301.22885	7.3
302.20511	1.0
303.20029	0.6
310.77731	0.4
311.21381	0.5
322.24863	0.5
329.22232	4.7
332.19672	6.0
332.22797	0.6
335.43536	0.4
340.25955	2.4
349.23874	0.5
350.24353	0.5
356.23444	0.6
366.27521	1.8
374.24420	4.8
383.30423	1.5
400.25851	3.0
408.32352	0.5
409.09857	0.4
411.29715	4.6
417.28940	1.5
442.30917	1.8
445.28201	4.0
445.78537	0.8
453.34534	0.7
459.33563	0.9
479.36084	1.3
487.32635	3.3
489.31891	0.4
496.38922	0.5
513.34363	3.5
524.38184	4.8
526.31128	0.9
526.81012	2.0
527.31165	1.3
527.39453	0.5
530.37360	2.8
555.39221	1.4
558.36554	9.5
559.37408	0.4
568.34705	0.6
572.41479	0.5
592.44373	0.9
598.43530	0.4
600.41443	1.7
623.43610	0.5
626.42755	6.2
637.46686	2.9
643.45367	4.6
653.44470	1.0
668.48059	0.8
671.44928	18.8
672.45428	0.6
711.51263	0.4
713.50024	0.7
739.51123	3.5
756.53918	8.6
757.54706	0.5
766.52295	2.4
784.53564	12.9
785.51440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
55.05520	13.1
55.07494	1.4
57.03453	7.0
57.07093	2.0
58.19122	1.4
60.08140	1.2
65.03932	2.4
67.05510	42.0
68.80717	1.2
69.03436	1.9
69.07071	12.1
69.38228	8.8
71.04979	2.5
73.77213	1.3
79.05499	52.8
79.38847	1.3
81.03419	4.8
81.07059	43.3
83.04993	6.7
83.08621	6.2
85.02902	1.7
85.06545	4.4
86.09714	8.5
91.05486	48.9
93.07049	56.9
95.04967	9.9
95.08617	23.2
97.02896	1.7
97.06546	4.7
97.10188	2.6
98.21487	2.9
99.08104	2.4
105.07037	49.5
107.04951	5.8
107.08591	24.9
108.81225	1.4
109.06525	6.1
109.10165	8.0
111.08125	2.5
113.43863	1.4
117.07028	15.8
119.08589	35.2
121.06480	2.5
121.10152	14.2
123.08072	6.4
123.11681	2.0
125.00025	4.8
129.07008	15.6
130.07809	2.3
131.08580	11.2
133.06514	1.7
133.10139	28.7
135.08031	3.0
135.11700	11.9
137.09587	1.4
141.07063	1.5
143.08604	10.4
145.10144	20.2
147.08080	1.9
147.11702	48.6
149.09703	2.0
149.13216	8.3
157.10155	6.4
159.11699	11.0
161.09642	5.0
161.13271	27.8
163.11156	3.7
163.14842	3.3
169.10127	3.8
171.11682	23.6
173.13274	8.7
173.14571	1.3
175.14853	12.0
177.12767	5.2
179.14384	1.7
181.10179	1.8
184.07362	23.2
185.13286	6.5
187.11208	3.0
187.14783	2.8
189.12743	9.8
195.11731	1.9
199.14806	3.2
203.14365	1.9
207.13805	25.5
209.13315	2.2
213.16512	3.3
231.21120	4.2
241.14285	2.0
241.19537	32.0
241.21773	2.7
243.21153	2.1
257.19031	3.8
259.20596	74.3
261.22134	3.4
269.33707	1.3
275.20096	3.3
279.15939	24.0
281.17493	82.4
282.17673	1.4
283.18964	1.8
297.16946	3.0
297.22174	1.4
307.87454	1.5
315.23132	7.3
331.22672	2.3
333.24255	53.8
429.31409	2.6
437.34604	1.5
447.32703	8.3
465.33667	5.9
483.34570	4.3
501.35495	2.1
521.36359	6.6
529.38574	2.5
539.37384	100.0
540.37231	3.5
557.38495	41.5
558.39240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.7
56.93145	0.1
58.06623	0.4
59.07387	0.1
60.08164	5.8
67.05489	0.2
69.30526	0.7
70.06584	0.1
71.07373	3.4
78.62643	0.1
79.05476	0.1
81.07051	0.2
86.09705	27.7
93.07074	0.1
95.08632	0.1
98.98466	3.3
104.10739	1.9
125.00004	19.5
143.01050	0.1
166.06267	0.1
173.22159	0.1
184.07338	100.0
184.69736	0.1
185.07738	0.5
276.42319	0.1
316.99966	0.1
433.48804	0.1
458.62943	0.1
780.55286	3.7
780.69653	0.2
781.55835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	9.8
55.05270	2.4
55.05519	31.4
57.03437	12.7
59.05003	4.9
61.02925	4.3
63.52903	1.7
65.03946	3.4
67.05511	100.0
69.03443	20.9
69.07074	18.0
69.85732	7.3
70.06584	2.3
71.01366	2.2
71.05004	8.6
73.02906	3.3
79.05501	35.0
81.03426	26.2
81.07066	71.8
83.04993	24.5
83.08626	22.4
85.02898	12.1
86.09705	14.4
91.05490	31.4
92.05826	2.0
93.07054	32.7
95.04972	21.3
95.08618	19.7
97.02905	9.5
97.06545	9.3
97.10172	28.8
98.20793	3.3
99.04475	7.1
101.02382	2.2
105.07030	20.3
107.04976	9.9
107.08598	19.5
109.02905	5.2
109.06529	10.5
109.10165	69.3
111.04458	15.9
111.08089	9.9
117.07038	14.3
119.08582	27.1
121.06535	7.3
121.10140	11.8
123.08076	17.8
123.11711	2.7
125.00036	6.6
125.05994	2.8
125.09635	22.6
127.03921	9.0
129.05486	6.5
129.07047	5.3
131.05008	1.7
131.08565	16.0
133.06555	4.2
133.10146	8.1
135.08057	10.6
135.11737	8.3
137.09625	10.1
143.08606	4.2
145.06441	2.7
145.10156	12.0
147.08081	12.5
147.11722	7.0
149.09691	7.2
153.09229	2.8
153.12784	6.6
155.08601	3.5
155.10667	2.4
157.10190	6.9
159.08087	2.8
159.11789	6.0
161.09673	7.7
161.13300	2.2
163.11212	18.5
165.09189	3.3
169.10162	1.9
171.11752	4.1
173.09654	3.4
173.11784	16.6
175.11214	5.2
177.09132	2.6
177.12885	2.5
180.00618	2.2
181.12315	8.4
184.07361	37.9
185.13391	3.6
187.11255	2.6
189.11246	19.0
191.10602	5.2
193.12292	5.2
209.11812	2.8
211.13225	2.7
223.13393	3.1
227.12790	31.8
229.14359	39.9
245.13951	2.6
245.19098	2.9
273.18533	31.7
275.20193	3.9
283.15518	4.3
291.19574	71.0
293.21536	1.9
299.14963	5.2
309.20755	8.3
318.41898	1.7
330.12738	1.9
347.22180	9.4
355.17844	4.0
365.23254	43.7
373.18604	38.8
383.24405	14.5
399.23984	4.4
417.23099	2.3
435.23804	2.3
445.30026	3.1
470.20956	3.5
501.32101	19.8
519.33234	89.5
520.33490	2.3
537.34369	32.3
547.36499	2.2
552.28778	2.8
554.37195	3.4
627.35559	3.3
645.36359	11.8
663.37482	33.9
681.38300	25.6
702.74261	2.2
766.45514	2.3
780.42261	98.7
781.40460	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	780.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.7
58.06626	0.5
59.07390	0.2
60.08165	6.3
61.08482	0.1
67.05493	0.3
69.19352	0.1
70.06573	0.1
70.81469	0.1
71.07377	3.4
75.91579	0.1
80.97427	0.1
81.07042	0.1
82.34539	0.1
86.09708	30.0
87.10049	0.1
93.07057	0.1
95.08607	0.1
98.98467	3.6
100.77956	0.1
102.49978	0.1
104.10755	2.0
125.00009	20.8
130.67946	0.1
143.01054	0.1
153.54701	0.1
184.07347	100.0
185.07648	0.5
249.11592	0.1
259.73907	0.1
334.19144	0.1
518.32465	0.1
520.34216	0.1
780.55347	3.5
781.55267	0.2
796.75214	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	779.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05517	3.1
57.03448	2.5
59.09227	0.4
61.02926	3.7
63.11456	0.4
65.03936	0.4
67.05509	6.5
69.03439	3.1
69.07081	3.1
69.79785	2.3
70.06608	0.6
71.05009	0.9
72.08160	0.4
73.02921	2.0
77.99615	0.4
79.05499	5.5
81.03424	3.0
81.07058	9.1
83.04972	1.7
83.08623	2.3
84.08147	0.5
85.02908	3.9
85.06553	0.7
86.09233	0.4
86.09721	1.9
86.25143	0.4
87.04472	0.4
91.03958	1.9
91.05484	4.4
93.07045	5.7
94.07375	0.5
95.04982	2.3
95.08603	3.3
97.02888	3.5
97.06541	1.6
97.10163	2.3
99.04459	1.2
99.70715	0.4
101.02380	1.8
103.03963	0.8
105.07034	3.6
107.04968	1.8
107.08595	3.7
109.02879	0.8
109.06514	1.2
109.10158	2.6
111.04458	0.8
111.08099	1.3
115.25260	0.4
117.07020	1.1
119.08565	2.4
121.06516	1.4
121.10148	2.6
123.04464	0.5
123.08084	1.8
125.00051	0.9
125.05947	0.6
125.09643	1.5
127.03938	0.8
129.05513	0.6
129.07010	0.7
131.08589	1.5
133.10124	1.8
135.08083	1.0
135.11714	1.6
137.09615	0.6
145.10149	1.2
147.08109	1.1
147.11729	1.2
149.09688	1.1
149.13280	2.0
149.57887	0.4
157.10088	0.9
159.11766	1.7
161.09674	1.0
163.03532	0.4
163.11227	1.5
175.11203	0.7
184.07362	4.7
184.34233	0.4
185.04338	0.7
185.13298	0.6
189.11256	0.7
226.01125	0.4
227.12856	0.6
229.14345	0.5
233.15482	0.6
235.13133	1.0
243.08475	3.3
253.14313	0.4
269.17612	0.6
271.15402	0.6
272.15829	0.7
273.18655	1.4
278.36838	0.4
291.19595	1.6
301.08969	0.5
347.21945	0.6
349.19879	1.8
349.23846	0.9
365.23001	0.7
381.22665	0.6
388.01193	0.5
402.59290	0.4
453.20996	6.4
469.20474	1.7
525.23419	1.2
564.36438	0.9
567.27838	5.5
595.21533	0.4
639.42426	0.5
663.33972	0.9
779.41846	100.0
780.42261	4.8
811.79999	0.5
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
54.06046	1.5
55.01873	8.6
55.05516	19.7
57.03437	14.1
57.07082	3.3
59.05014	2.9
61.02930	3.4
65.03948	3.0
67.05511	82.0
69.03436	3.4
69.07075	26.6
70.06615	2.4
70.25354	5.1
71.04997	8.5
71.07363	1.5
73.02921	2.3
79.05075	2.8
79.05502	44.8
81.03424	7.8
81.07065	100.0
83.04980	10.1
83.08633	23.0
85.02906	4.9
85.06552	5.2
86.09711	11.7
91.05489	33.8
91.51926	1.7
93.07051	64.0
94.26955	1.7
95.04988	14.5
95.08621	31.7
97.02845	3.5
97.06533	13.8
97.10178	7.5
99.04465	3.2
99.08098	3.4
105.07031	24.8
106.81372	1.8
107.04944	8.8
107.08607	41.1
107.09311	2.9
108.09753	1.5
109.06549	9.1
109.10165	26.8
111.04437	2.8
111.08076	12.3
117.07019	13.1
119.08582	16.9
121.06516	5.0
121.10144	22.9
123.08085	6.0
123.11670	3.7
124.99995	5.3
125.06039	1.9
125.09663	7.7
129.07034	2.3
131.08592	18.0
133.10152	19.5
135.08055	6.3
135.11699	12.3
137.09622	5.2
139.11156	1.6
143.08572	5.4
145.10121	10.4
147.11668	8.4
149.09579	9.5
149.13266	29.9
155.08633	2.5
157.10153	5.3
159.11722	19.9
161.09651	4.7
161.13371	2.3
163.11203	7.0
169.10182	2.8
171.10243	1.7
171.11667	2.0
173.11769	5.0
175.11290	1.6
177.12820	4.8
181.12216	4.1
183.11719	2.8
184.07361	30.8
189.11275	3.8
189.12758	1.7
193.12256	2.4
195.13789	9.6
205.12256	1.8
211.13292	2.6
227.12773	8.9
229.14372	8.9
247.20598	2.1
257.19073	4.0
269.17493	71.7
271.15414	7.8
273.18542	4.2
275.20065	25.6
287.14694	2.1
291.19589	6.4
293.21121	3.3
331.22791	3.2
349.23788	17.1
365.23196	2.5
367.24747	6.0
423.27414	41.7
424.27542	2.6
443.27875	1.8
463.30618	92.5
464.30829	2.8
525.35321	2.4
543.36945	52.8
544.37048	1.9
561.38153	24.4
579.34802	4.6
607.34546	4.1
704.38721	1.6
777.39520	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	778.5376
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05040	0.9
58.06623	0.5
59.07377	0.1
60.08164	6.4
67.05495	0.2
70.06586	0.1
70.76220	0.1
71.07374	3.6
79.05514	0.1
79.18581	0.1
80.97389	0.1
81.07056	0.1
86.09705	31.2
87.10030	0.2
91.05491	0.1
93.07027	0.2
98.98462	3.4
104.10741	2.0
107.08598	0.1
125.00004	22.2
133.71863	0.1
143.01085	0.1
166.02702	0.2
184.07339	100.0
185.07701	0.5
366.40350	0.1
435.23749	0.1
518.32361	0.1
778.53864	3.3
779.53748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	18.1
55.05267	3.1
55.05513	31.9
57.03438	24.3
57.07073	5.3
59.04990	3.5
60.80545	1.7
61.02916	3.9
65.03951	4.1
67.05508	88.6
69.03423	9.3
69.07068	36.5
69.30617	15.2
71.01357	8.2
71.05002	9.8
73.02911	4.9
77.03888	2.2
79.05495	77.6
81.03420	20.8
81.07060	71.3
83.04992	23.7
83.08625	16.4
85.02899	6.1
85.06544	8.8
86.09689	7.7
91.03989	1.8
91.05485	52.4
92.05788	2.7
93.07048	80.7
95.01308	2.3
95.04980	24.4
95.08610	23.8
97.02895	19.8
97.06540	24.0
97.10171	25.5
97.79475	1.7
98.21478	2.9
99.04470	3.9
99.08092	4.5
101.06023	1.9
105.07033	28.2
107.04964	16.1
107.08600	54.6
109.02885	2.2
109.06529	16.0
109.10153	40.8
110.07239	3.0
111.04453	5.1
111.08078	10.8
115.05423	3.4
116.04725	4.1
117.07008	19.4
119.08580	32.4
121.06538	9.9
121.10154	18.6
123.04412	6.3
123.08095	8.5
123.11661	2.8
125.00014	5.9
125.05979	4.5
125.09658	16.5
127.07571	1.8
127.11164	2.1
128.06242	2.2
129.05482	8.8
129.06984	6.4
131.08571	14.3
133.06497	6.0
133.10146	15.2
135.08084	15.7
135.11702	67.7
137.05992	2.7
137.09618	23.7
138.10315	2.0
139.07536	1.7
139.11127	2.5
139.85866	1.6
143.06998	2.6
143.08553	4.7
145.06480	3.5
145.10135	24.7
147.08080	9.8
147.09077	1.6
147.11696	5.7
149.09612	8.7
149.13293	3.7
151.07570	4.0
151.11150	4.4
153.09088	9.3
153.12788	4.6
155.10645	2.8
157.08603	7.0
157.10120	4.8
158.05731	1.7
159.08063	4.3
159.11694	6.8
161.09660	10.2
161.13298	2.0
163.07556	3.2
163.11186	20.9
165.09134	5.5
165.12796	2.8
169.10045	2.2
171.07942	2.4
171.10175	4.6
171.11598	3.0
173.09584	3.3
173.11809	8.7
173.13112	2.6
175.11148	3.9
177.12727	3.5
181.12254	21.9
184.07332	20.5
185.09630	1.9
185.13324	2.3
189.09015	1.8
189.11212	4.5
191.10686	2.9
193.12256	9.3
199.13297	6.7
207.10205	1.7
211.13329	3.1
221.11641	2.2
227.12770	9.0
229.14404	9.5
235.13190	2.0
239.12714	2.6
245.19083	3.5
253.14394	3.6
255.15907	100.0
265.27151	1.6
269.17474	2.3
273.18509	20.2
275.20099	5.6
281.61182	1.7
283.15488	2.4
287.14917	3.8
289.17831	8.5
291.19565	15.4
307.19040	2.0
309.17017	3.7
313.16599	2.4
342.51675	2.0
347.22119	8.9
349.23663	3.2
363.21616	2.8
365.23276	11.6
379.24734	2.7
381.22638	6.6
397.25800	2.9
399.23837	16.2
409.25858	41.9
421.25775	1.6
431.27625	2.3
435.27505	4.7
449.29037	14.1
463.26505	2.1
475.27097	2.9
481.27789	4.7
493.27789	9.4
527.33636	12.0
529.35034	5.5
543.33527	3.7
544.33929	4.1
545.26917	3.0
545.34778	41.8
561.34204	12.5
562.34833	5.4
579.35284	87.0
580.34808	3.0
661.94757	2.1
776.42487	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	775.535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.3
55.05513	29.4
57.03442	9.8
57.07082	8.9
57.94271	1.4
59.05003	1.8
60.08155	2.4
61.02674	1.2
61.02934	10.2
65.03938	4.1
67.05511	72.7
67.36953	1.4
69.03426	5.1
69.07074	33.7
70.91441	3.6
71.04982	3.1
71.08622	3.8
73.02894	5.0
77.05135	1.2
79.05499	43.4
81.03419	4.3
81.07063	74.3
83.04977	4.4
83.08223	1.6
83.08627	18.2
85.02924	7.1
85.06535	4.5
86.09712	18.7
87.10027	3.1
90.53727	1.5
91.03952	4.3
91.04925	1.3
91.05489	48.4
93.07050	49.8
95.04986	8.0
95.08614	60.8
96.08920	1.3
97.02903	7.5
97.06520	4.9
97.10162	10.0
97.82150	1.3
98.98478	3.0
99.08087	2.3
105.07037	43.3
107.04967	1.9
107.08598	29.7
108.46729	1.4
109.06518	2.6
109.10172	20.5
111.04452	2.4
111.08070	3.7
115.05440	2.2
117.07028	16.4
119.04976	1.5
119.08590	43.4
121.06496	2.6
121.10148	26.0
123.08068	2.7
123.11761	7.9
125.00014	12.8
125.09566	1.7
126.00341	1.9
128.06180	1.6
129.07039	10.9
131.08586	25.0
133.10147	28.9
135.08057	2.4
135.11696	19.3
137.13261	1.9
141.06961	2.7
143.08566	13.6
145.06544	1.4
145.10136	22.2
147.10674	2.1
147.11714	27.4
149.09642	2.8
149.13280	11.8
151.11137	1.6
155.08574	3.3
157.10159	11.8
159.11710	16.4
161.09608	2.2
161.13272	23.9
163.11206	3.8
163.14813	5.8
165.12756	1.8
167.08629	2.3
169.10138	4.5
171.11716	10.9
173.13254	14.3
175.11215	1.8
175.14865	12.1
181.10129	1.6
183.11700	4.3
184.07352	53.3
185.07730	13.6
185.13335	10.6
186.07785	13.2
187.08138	1.8
187.14832	4.9
189.16400	1.7
195.11713	2.0
197.13310	1.5
199.14822	5.2
201.12781	1.7
201.16408	1.6
203.14288	1.6
209.13252	2.2
211.14986	1.7
213.16484	3.6
214.90132	1.5
215.18007	3.8
231.21048	4.9
239.17900	2.4
241.19540	14.6
243.21092	3.7
245.22638	2.0
247.20779	1.5
251.18106	1.9
257.19003	4.3
259.20581	44.8
261.22107	5.6
263.23746	2.3
269.18976	1.6
271.20505	2.4
275.20120	4.7
283.20502	1.7
293.21280	2.2
301.21494	3.6
313.21780	2.1
315.23187	3.3
333.24213	26.8
335.25742	12.0
337.27396	58.3
338.27744	1.5
367.22662	3.2
375.25266	2.1
385.23474	2.0
420.28510	1.5
459.27316	2.0
489.35428	1.6
521.43335	5.9
539.44489	3.0
541.03088	1.4
585.45074	7.8
595.47198	11.1
603.46063	15.7
611.46649	2.9
613.48291	100.0
614.48389	4.4
625.48029	2.5
637.48193	1.9
679.48199	1.6
691.50104	1.6
703.48877	3.9
721.49786	4.3
739.51245	2.9
757.53369	8.8
775.53778	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	775.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05511	3.7
57.03439	1.7
57.07075	0.5
59.05001	0.8
61.02936	4.1
61.33369	0.5
64.95071	0.4
65.03946	0.6
67.05508	6.7
69.03432	2.5
69.07073	3.1
71.05004	1.3
71.51849	0.4
71.52209	0.6
73.02929	2.1
75.04465	0.5
79.05498	7.4
80.05820	0.5
81.03419	3.3
81.07065	7.5
83.04991	2.7
83.08618	2.9
85.02891	3.4
85.06546	0.8
86.09706	1.0
91.03972	1.6
91.05492	6.6
93.07053	6.2
95.04979	3.6
95.08615	4.2
97.02888	3.6
97.06548	1.5
97.10201	0.8
99.04491	1.5
99.86803	0.5
101.02406	2.0
105.07063	4.7
107.04990	1.6
107.08600	4.4
109.02901	0.9
109.06556	1.9
109.10143	2.3
109.21694	0.5
111.04449	0.9
111.08109	0.9
117.07060	1.7
119.08594	3.9
121.10171	2.2
123.08104	1.8
125.06024	0.6
125.09663	1.3
127.03957	1.1
129.06995	1.2
131.08611	1.8
133.10139	2.4
135.11748	1.2
143.08568	0.8
145.10114	2.3
147.08054	0.8
147.11679	3.1
149.09657	2.0
151.07605	0.7
157.10161	0.6
159.11700	0.9
161.09717	0.9
161.13300	1.2
163.11189	2.6
165.09131	0.6
171.11714	1.5
173.13301	0.6
175.11371	0.7
181.12311	1.4
184.07365	1.9
185.04260	0.6
189.11224	0.6
189.12822	0.6
193.05704	0.5
207.13820	0.7
227.12759	0.5
243.08395	2.7
247.13091	1.2
273.18503	0.6
275.20151	2.7
281.17581	0.6
291.19684	0.8
303.15875	1.0
333.20316	3.1
346.24655	0.5
349.23740	0.6
465.20953	10.2
465.27600	0.5
551.28339	5.8
775.42377	100.0
776.42737	5.2
784.41931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.0
57.07078	32.0
59.05010	1.3
67.05502	2.1
69.03411	0.7
69.07070	5.3
69.63006	2.7
71.04996	0.5
71.08636	30.8
73.02926	0.9
73.06558	8.8
79.05499	1.3
81.07060	1.7
82.95937	0.5
83.08624	5.2
84.12372	0.4
85.10184	18.5
85.87529	0.4
86.09693	0.6
87.04475	11.2
89.06035	100.0
89.72481	0.5
91.05466	0.7
91.07598	1.2
93.07070	1.2
95.04963	0.8
95.08601	1.2
97.10177	5.7
99.11746	2.0
105.07061	0.7
107.07066	2.0
107.08610	0.9
111.11710	3.8
113.13297	1.2
115.11794	0.5
117.09142	9.1
119.08614	0.7
125.00023	0.8
125.13298	2.1
127.14851	1.2
130.08658	3.5
131.07053	3.6
131.08566	0.5
133.08609	53.5
134.88225	0.5
135.10182	1.6
139.14937	0.5
141.07036	0.5
141.16414	1.4
145.10126	0.6
145.43916	0.5
153.16473	0.5
155.17905	0.9
157.10143	0.5
159.10252	0.5
161.11729	2.8
175.09651	2.6
177.11226	22.4
184.07306	3.0
198.16302	0.5
211.24332	2.3
219.12317	1.1
221.13853	6.0
223.15421	0.6
239.14914	0.9
255.23387	0.5
255.26706	2.4
265.16528	1.9
283.17627	1.5
299.29446	7.7
309.19119	1.4
327.20218	1.2
343.32068	4.9
353.21887	0.7
526.71722	0.7
547.33228	1.1
549.27106	0.5
591.36182	0.6
612.46582	1.1
633.73346	0.5
685.65820	0.5
757.56573	3.8
774.59943	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	774.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
56.05039	0.7
57.03447	0.2
58.06353	0.2
58.06617	0.5
59.07400	0.3
60.08169	6.4
67.05515	1.5
68.00418	0.2
68.05833	0.2
69.07082	0.5
70.11151	0.2
70.11501	0.6
71.07382	3.4
73.00121	0.1
74.73550	0.2
79.05501	1.0
81.07062	1.6
83.08620	0.3
86.09712	28.1
87.10052	0.3
91.05486	0.8
93.07052	1.2
94.07380	0.3
95.04961	0.2
95.08604	1.3
98.98470	3.3
104.10753	1.8
105.07026	0.8
107.08604	0.6
109.10178	0.4
112.11233	0.2
117.07040	0.4
119.08603	0.9
120.08931	0.3
121.10177	0.8
122.10490	0.3
125.00014	19.9
129.07083	0.3
131.08557	0.7
133.10135	0.5
135.11687	0.2
145.10199	0.4
147.11729	0.3
157.10115	0.2
159.11627	0.3
161.13295	0.4
171.11650	0.3
184.07352	100.0
185.07698	1.5
185.13225	0.3
186.07819	0.3
214.69121	0.2
241.19444	0.3
259.20551	0.6
260.21045	0.2
265.81363	0.2
299.84430	0.2
333.24200	0.3
334.24280	0.2
335.25708	0.3
336.26099	0.7
453.35971	0.2
612.46948	1.3
756.55359	7.1
757.54614	0.4
774.54114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.7
55.05516	43.4
57.03440	14.1
57.07059	1.2
59.05003	2.2
61.02929	2.3
61.94156	0.9
62.69275	0.9
65.03947	3.3
67.05510	47.5
68.68462	1.1
69.03434	6.2
69.07075	21.3
71.05000	7.1
73.02914	1.3
77.03905	1.6
79.05498	51.9
81.03425	58.0
81.07061	57.0
82.07375	1.0
83.04991	22.3
83.08625	48.9
85.02911	27.9
85.06535	3.9
86.09702	4.0
91.05487	55.3
93.07050	45.0
95.04977	84.8
95.08617	28.4
97.02904	5.3
97.06523	9.5
97.10180	13.4
98.21465	2.3
98.98404	1.0
99.04467	5.9
99.08079	3.5
103.05463	1.8
105.04535	1.5
105.07035	44.1
107.04969	19.2
107.08602	36.8
109.02898	1.5
109.06522	14.1
109.10172	14.1
109.74819	1.0
111.03723	1.2
111.04458	12.7
111.08093	15.0
113.06008	3.2
115.05421	2.4
117.07027	11.9
119.05000	1.0
119.08592	37.0
121.06509	8.7
121.10146	23.7
123.08077	8.1
123.11697	4.1
124.99986	1.0
125.06013	1.7
125.09628	12.1
127.03931	1.2
127.07581	1.3
128.06259	1.9
129.07013	14.0
131.08574	26.3
133.06479	3.5
133.10147	26.5
135.08060	7.2
135.11705	9.9
137.09590	5.5
137.13295	1.1
139.11191	2.0
139.79735	1.0
141.06999	2.8
142.07770	2.7
143.08556	4.3
145.06512	1.8
145.09059	1.7
145.10133	22.0
147.08089	7.4
147.11688	23.3
149.09624	37.0
149.13258	2.2
151.11153	2.8
153.09050	1.4
153.12747	1.9
155.08577	1.9
157.10136	16.1
159.08112	1.0
159.11681	9.6
161.09613	4.0
161.13263	3.9
163.09854	2.1
163.11189	32.1
165.09175	1.0
165.12750	5.9
167.10783	1.3
169.10150	4.0
171.10219	1.9
171.11708	3.4
173.09613	3.1
173.13258	3.4
175.11192	15.3
177.12769	4.4
181.12268	2.4
183.11729	2.0
184.07361	12.1
185.13332	2.0
187.11192	3.0
187.14799	1.4
189.11208	9.8
189.12720	1.2
191.10649	2.3
191.14314	1.3
193.12260	41.3
197.13245	1.9
201.12849	1.3
205.12263	4.7
211.13300	64.1
212.13828	1.1
215.14435	1.1
223.13300	36.5
227.12903	2.4
229.19392	3.2
237.14880	1.3
239.17950	4.8
249.14755	1.2
257.19025	8.9
267.15909	37.0
269.17499	1.5
275.20084	57.7
276.20407	2.3
277.08841	1.1
283.15567	1.2
285.16983	83.9
286.17380	1.5
291.19427	1.2
293.21133	41.8
294.21567	1.9
311.22043	1.4
349.23752	31.3
367.24780	60.2
368.24973	2.1
381.22516	1.4
431.28757	1.1
449.30188	1.4
467.31787	1.7
471.27570	1.0
479.30042	1.8
541.35358	23.4
559.36365	57.9
560.36798	1.7
577.37402	100.0
578.37347	3.2
692.07574	1.2
774.44360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.8
55.05512	29.0
57.03439	16.8
57.07082	2.1
57.77831	1.2
59.04994	2.7
61.02907	3.4
64.31599	1.3
65.03934	3.9
67.05507	67.5
69.03429	8.5
69.07072	28.3
69.79056	2.7
69.79420	6.0
70.06573	1.7
70.67559	1.4
71.01368	1.3
71.04993	9.7
75.04499	1.4
75.37755	1.2
79.05497	61.8
79.15749	1.3
81.03422	39.7
81.07059	100.0
81.56496	1.1
82.07385	1.2
83.04988	19.3
83.08145	2.3
83.08622	30.7
85.02904	17.1
85.06556	5.8
86.09715	3.7
87.04468	1.3
91.04901	2.7
91.05480	55.2
93.07047	68.9
95.04969	28.7
95.08610	30.8
97.02885	5.6
97.06538	17.9
97.10168	15.2
99.04454	2.0
99.08075	4.0
105.04484	2.1
105.07037	37.5
107.04958	13.1
107.08599	36.9
109.02901	1.9
109.06506	9.8
109.10151	11.9
111.04453	10.0
111.08074	14.4
113.06030	2.1
113.51437	1.4
115.05464	3.1
117.07008	17.8
119.08578	32.7
121.06496	8.1
121.10147	25.0
123.08076	15.1
123.11700	3.3
123.50037	1.3
125.05946	2.3
125.09625	12.4
127.03984	2.2
128.06206	2.9
129.06989	11.1
131.08572	24.2
133.06511	2.6
133.10132	24.4
135.08023	7.2
135.11691	14.8
137.05962	1.7
137.09612	4.0
139.11157	1.3
140.38200	1.2
142.07793	3.4
143.08553	5.3
145.06488	2.6
145.10126	13.4
146.47862	1.3
147.08066	7.5
147.11696	16.7
149.09612	12.7
149.13271	17.1
151.07571	1.9
151.11153	2.7
153.09140	1.8
153.12747	3.3
155.08531	3.8
157.10132	12.5
159.08047	1.9
159.11691	15.9
161.09602	6.0
161.13213	3.6
163.11189	14.1
164.49223	1.2
165.09059	1.8
165.12793	3.1
169.10130	2.2
171.10173	1.5
171.11687	5.0
173.09607	2.7
173.13295	3.5
175.11176	12.7
177.12715	4.5
181.12228	7.6
183.11650	1.3
184.07376	4.9
187.11131	1.8
187.14917	1.5
189.11211	5.7
189.12727	2.3
191.10652	2.7
191.14236	1.5
193.12221	28.2
195.13774	7.9
197.13249	1.4
211.13303	37.5
211.15277	2.4
213.14986	1.4
221.99734	1.5
227.12790	9.3
227.18005	1.5
229.19386	1.8
239.18008	1.7
245.18877	1.6
253.14270	2.2
255.15758	8.3
257.19058	3.9
267.15930	19.6
269.17477	69.4
271.15506	2.9
273.18509	16.6
275.20041	12.6
283.15411	1.9
285.16974	41.3
291.16183	2.2
291.19519	29.6
309.20605	2.5
347.22165	4.7
349.23697	11.2
365.23279	17.0
365.27756	2.2
367.24738	2.7
381.22726	2.2
383.24216	5.0
385.79114	1.3
433.29413	2.6
439.26889	5.4
443.27917	1.8
447.27310	5.5
461.28976	20.9
465.28464	10.1
479.30084	56.5
490.52869	1.5
495.29611	2.6
501.32205	1.9
541.35278	15.9
559.36328	54.7
560.35919	3.2
577.37585	23.4
623.34601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.3
55.05275	2.2
55.05518	29.4
57.03447	16.4
57.07078	7.5
61.02933	14.4
65.03944	6.0
67.05511	95.3
69.03431	11.9
69.07072	28.7
69.65156	1.5
69.94021	6.8
71.04994	5.4
71.08639	1.9
73.02919	8.4
75.04455	2.6
77.03934	2.4
79.05499	76.5
81.03416	6.8
81.07062	93.2
83.04987	5.1
83.08623	13.5
85.02903	13.4
85.06556	4.7
87.04507	1.6
91.03956	6.4
91.04907	3.2
91.05488	67.8
93.07053	91.5
95.04980	12.0
95.08617	74.1
95.09258	2.5
97.02898	12.2
97.06530	8.5
97.10174	7.8
99.08102	1.8
101.02395	2.6
103.05491	2.3
105.04539	2.6
105.07040	65.7
107.07876	3.3
107.08598	53.6
109.06532	4.0
109.10170	28.9
111.04502	1.5
111.08112	3.6
113.09608	1.8
115.05495	3.7
116.06256	1.9
117.07021	26.7
119.08591	60.9
121.06499	2.6
121.10155	42.3
123.08055	2.6
123.11692	7.9
127.03951	1.8
127.61932	1.5
128.06223	3.7
129.07007	19.4
130.07791	2.4
131.08577	44.2
133.10141	44.8
135.08032	3.0
135.11705	30.0
137.09625	2.7
139.11115	2.5
141.07022	4.7
142.07777	3.9
143.08566	18.4
144.09102	1.7
145.06528	2.0
145.10138	33.7
147.11702	39.4
149.09657	3.3
149.13298	15.9
155.08588	8.2
156.09320	1.7
157.10136	19.3
159.08096	2.8
159.11711	29.3
161.09691	2.6
161.13281	27.6
163.11163	2.3
163.14807	4.9
166.96292	1.7
167.08589	2.1
169.10161	7.8
171.11714	17.2
173.13275	19.7
175.11212	1.8
175.14822	14.5
177.16475	1.7
179.14304	1.6
181.10162	4.2
182.10823	1.5
183.11729	9.8
184.07391	3.8
185.13283	14.8
187.11247	1.9
187.14859	9.4
189.12773	3.6
191.14357	2.4
193.10074	2.6
195.11702	5.2
197.13312	7.3
199.11430	1.6
199.14844	8.7
201.16370	2.8
207.11754	3.0
209.13223	3.1
211.14874	4.2
213.12975	2.2
213.16449	4.9
215.17812	2.4
216.56262	1.4
217.15916	1.5
217.19653	1.9
223.14822	3.5
225.16385	1.8
227.17879	2.3
229.19531	2.6
231.21030	4.9
233.13206	1.5
239.18001	4.3
241.19614	20.9
243.21124	4.4
257.19037	10.5
259.20596	49.0
261.22153	10.1
271.20483	2.7
275.20212	2.1
277.21851	2.9
283.20593	2.0
297.22220	1.6
299.23654	1.7
301.21609	4.2
313.21835	2.1
315.23184	4.8
331.22678	2.3
333.24268	38.0
335.25830	81.8
337.27356	3.8
349.21576	2.2
351.25742	2.0
367.22702	4.7
375.25500	2.7
385.23804	2.9
403.24548	2.3
421.25479	2.0
503.37027	2.2
519.41644	4.9
529.39233	2.1
537.43530	2.1
593.45270	8.9
609.45636	3.6
610.45898	1.7
611.46735	100.0
612.47119	4.1
623.46283	3.8
635.46576	3.9
677.47571	3.5
689.47626	2.0
701.47473	5.3
719.48395	4.5
737.49268	6.0
755.50763	6.7
773.52026	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	1.3
55.02029	0.8
55.05422	7.8
55.05724	2.0
57.03343	2.7
57.06980	1.9
61.02826	9.7
61.03172	2.1
65.03870	0.6
67.05402	16.0
67.05803	2.9
68.05757	0.6
69.03327	6.1
69.03728	1.0
69.06966	7.6
69.07371	1.1
70.03150	0.4
71.01265	0.6
71.04891	1.4
71.08556	0.9
73.02806	6.3
73.03252	1.0
75.04423	0.6
79.05380	11.1
79.05897	1.4
79.53326	0.4
80.05753	0.6
81.03302	3.1
81.06941	17.2
81.07457	2.1
82.07317	0.7
83.04872	1.4
83.08501	4.7
85.02787	9.2
85.06436	1.4
86.09630	0.7
89.05974	0.6
91.03835	5.9
91.05363	9.9
91.05971	0.8
92.05727	0.8
93.06921	12.3
93.07561	1.1
95.04858	1.7
95.08482	15.2
97.02766	9.5
97.06419	1.7
97.10050	2.2
99.04345	1.3
99.08017	0.6
101.02245	1.7
103.05387	0.5
105.06903	11.6
107.04883	0.6
107.08463	7.2
107.09235	0.7
109.02770	1.1
109.06393	1.4
109.10025	6.8
111.04346	0.7
111.07994	0.9
115.03819	0.6
115.05357	1.0
115.49159	0.5
117.07022	7.1
119.08588	11.1
121.06370	0.6
121.10152	6.8
123.08003	1.0
123.11561	1.7
124.99899	0.6
125.09617	0.8
127.03925	2.2
128.06111	1.3
129.05344	0.5
129.07004	5.9
130.07704	0.6
131.08568	12.3
133.08530	0.6
133.10149	7.1
135.07930	1.1
135.11682	3.0
137.05995	3.2
137.13116	0.7
138.06226	0.6
141.06958	2.3
142.07719	1.2
143.08566	10.8
144.09111	0.5
145.10130	10.7
146.10458	0.4
147.11687	4.7
149.09579	0.9
149.13133	1.9
150.57784	0.4
151.11038	0.6
153.06906	0.9
155.08563	5.9
156.09235	0.8
157.10130	8.8
159.11696	7.9
161.13255	2.7
163.11090	1.0
163.14716	1.4
165.12656	0.8
165.16339	0.7
166.07736	0.5
167.08429	1.5
168.09207	0.6
169.10132	5.6
170.03778	0.4
170.10623	0.8
171.11693	7.6
172.12035	0.7
173.13281	5.5
175.11099	0.8
175.14709	2.0
177.12738	0.4
177.16292	1.2
179.08424	0.6
181.10141	3.2
183.11685	6.0
184.07338	2.7
184.12257	0.6
185.07629	0.5
185.13235	4.9
187.11125	0.6
187.14868	3.5
189.16296	1.1
193.09982	1.3
195.11682	3.4
197.13261	6.1
199.14828	3.9
201.16263	1.9
205.09927	0.6
207.11630	1.2
209.13208	2.7
211.14818	4.1
213.16364	3.0
215.17763	1.4
221.13211	0.9
223.14694	1.8
225.16351	2.5
227.14322	0.5
227.18103	2.1
229.19347	1.3
235.14702	1.3
237.16229	2.0
239.17805	1.8
241.19312	1.8
243.20892	1.2
251.17853	0.8
253.19507	1.1
253.67072	0.5
255.20966	0.6
255.23177	0.8
257.18845	0.8
257.22891	0.5
265.19427	0.6
267.21005	0.9
269.22308	0.5
275.20053	1.1
277.17767	0.7
278.18240	0.8
279.21078	0.5
281.22766	0.7
282.68170	0.4
295.20499	0.5
295.24121	0.6
297.21921	0.6
299.20120	0.8
299.23407	0.5
303.20950	0.4
311.23566	0.8
313.25049	0.5
315.23102	0.7
325.25092	0.5
336.26233	0.7
337.27487	0.6
339.26767	1.1
341.01917	0.5
341.28436	0.6
351.26874	0.5
353.28351	0.8
367.24957	0.4
367.29669	1.0
409.30972	0.6
435.32349	0.5
449.33472	0.6
501.41162	0.9
513.35913	0.6
517.38873	0.8
519.42163	3.4
529.39301	0.6
537.43066	2.3
541.39124	1.3
551.41266	0.5
557.43420	0.7
593.45660	7.5
609.45154	2.1
610.45685	0.9
611.46692	100.0
612.47064	3.6
613.45825	0.5
614.44897	2.0
623.46771	1.5
625.49438	0.6
632.45752	0.7
653.47803	0.6
719.47852	0.5
737.50000	1.0
755.50769	1.9
773.51978	21.4
774.52686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.3
55.05515	33.9
57.03443	14.6
57.07071	5.4
57.55611	1.3
61.02930	13.1
65.03938	5.9
67.05510	94.1
69.03441	8.2
69.06733	1.9
69.07076	29.7
71.04993	4.5
73.02925	7.4
79.05014	1.8
79.05497	75.0
81.03407	4.4
81.07061	85.2
83.04998	4.1
83.08627	10.4
85.02905	12.5
85.06550	5.0
85.10151	1.3
86.09737	1.3
91.03953	5.3
91.05488	69.8
93.07050	90.8
95.04984	9.4
95.08613	65.0
97.02909	9.5
97.06509	7.5
97.10166	5.9
99.08111	2.6
101.02393	1.4
103.05479	1.5
105.04557	2.6
105.07040	69.5
107.04955	2.0
107.07880	2.4
107.08600	41.2
109.02879	2.0
109.06519	4.7
109.10168	28.2
111.08105	4.5
115.05443	3.2
117.07034	30.5
119.08590	54.9
121.06461	2.7
121.10146	39.3
123.08073	3.9
123.11756	6.9
125.09626	1.6
127.03957	1.9
128.06218	3.3
129.05461	1.6
129.07018	15.6
131.08569	38.9
133.10141	39.1
134.10550	1.3
135.08054	2.5
135.11699	25.9
137.09630	2.9
137.13226	3.2
139.11133	1.7
141.07018	4.4
142.07765	3.8
143.08569	19.5
145.05009	1.9
145.10135	35.4
147.11699	40.7
149.09628	3.6
149.13286	18.1
154.07776	1.9
155.08565	6.3
156.09332	2.5
157.10136	17.3
159.08131	1.4
159.11699	30.7
161.09647	2.2
161.13260	29.7
163.11244	2.4
163.14836	6.0
165.07033	1.7
167.08574	3.8
168.09245	1.4
169.10130	9.5
171.11710	18.8
173.13275	18.0
175.11182	2.5
175.14841	14.7
177.12704	1.5
177.16386	2.6
179.08553	2.0
181.10156	4.2
183.11679	9.3
184.07471	1.8
185.13272	12.9
187.14731	8.2
189.12820	2.9
189.16454	1.9
195.11746	2.7
197.13248	7.7
199.11264	2.0
199.14885	8.8
201.12781	2.0
201.16476	3.8
202.86398	1.3
203.14381	1.5
209.13332	2.0
211.14818	2.3
213.16379	7.1
215.17923	3.0
217.19536	2.1
219.17603	1.6
223.14967	2.1
225.12943	1.7
225.16466	2.6
227.18030	2.5
229.19476	1.7
231.17493	2.0
231.21021	4.2
239.17990	2.5
241.19569	26.3
243.21161	5.5
257.19037	10.8
259.20587	52.7
261.22263	11.5
271.20679	2.2
283.23975	1.8
297.21902	1.8
301.21732	3.1
313.21625	1.8
315.23233	4.9
317.24826	1.5
331.22549	1.9
333.24292	40.9
334.24411	2.1
335.25830	95.3
336.26022	2.0
337.27399	2.2
339.23328	2.7
343.22531	1.6
351.25357	2.6
367.22726	5.2
385.23770	3.9
441.26474	2.2
459.27335	2.7
475.46375	1.4
489.36206	1.7
519.41901	5.1
537.42822	4.1
541.38525	2.0
593.45856	12.9
609.44916	4.0
611.46735	100.0
612.47046	3.0
623.46753	1.6
635.46405	1.8
689.47119	2.7
700.53705	1.5
701.47412	5.7
719.48193	4.9
737.49707	4.4
755.50360	5.4
773.51971	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	773.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
55.05515	9.2
57.03428	4.2
57.07067	2.9
60.08165	5.3
61.02925	4.9
65.03942	1.8
67.05511	26.7
69.03431	2.8
69.07067	8.8
71.04974	1.1
71.07372	2.9
72.42393	1.0
73.02917	1.7
79.05492	19.9
81.03413	2.2
81.07057	28.3
83.08622	4.8
85.02891	3.3
86.09705	28.9
87.10042	3.4
91.03947	2.0
91.05487	22.7
93.07049	23.5
95.04969	3.6
95.08614	20.1
97.02882	2.6
97.06510	2.8
97.10194	1.7
98.98485	4.9
103.05424	1.2
104.10760	1.2
105.07035	18.9
107.04935	1.7
107.08591	15.0
109.06535	2.6
109.10186	9.1
111.08049	1.6
117.07051	8.6
119.08578	15.3
121.10149	11.4
123.11697	2.4
125.00014	22.0
128.06274	1.4
129.07019	6.3
131.08578	12.3
133.10135	13.2
135.11691	8.5
141.06952	1.2
143.08585	5.6
145.10147	11.1
147.11681	12.1
149.13266	3.7
151.11200	1.2
155.08560	2.4
157.10080	5.6
159.11678	6.9
161.09572	1.1
161.13258	7.5
163.14827	2.0
169.10115	3.6
170.12515	1.2
171.11716	4.6
173.13295	5.0
175.14819	4.3
181.10121	1.5
183.11789	2.2
184.07346	100.0
185.07706	12.6
185.13252	4.7
186.13750	1.1
187.14899	2.3
195.11716	1.6
197.13329	1.9
199.14868	2.8
201.16341	1.4
211.14784	1.4
213.16415	1.6
223.14738	1.2
241.19565	6.4
243.21097	2.0
257.18939	2.1
259.20572	15.5
261.22156	2.7
273.22083	1.4
301.21747	1.6
311.26004	1.8
315.23093	1.4
333.24191	11.7
335.25797	26.3
337.27505	2.3
367.22702	1.2
396.28867	1.2
501.41101	1.2
526.48499	1.0
593.45563	2.6
601.44421	2.2
611.46741	36.6
612.47491	1.8
623.45966	1.4
737.49609	2.3
755.52679	4.3
773.53076	5.9
780.02277	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	14.6
55.05516	33.6
57.03423	12.2
57.07064	3.7
65.03938	6.5
67.05183	4.8
67.05510	69.5
69.03428	6.1
69.07084	26.9
69.94987	8.0
69.95406	8.5
70.06590	6.8
71.04993	5.9
77.26924	3.1
79.05498	57.4
81.03424	20.0
81.07067	59.3
83.04988	22.9
83.08614	29.4
84.08170	5.0
85.02892	9.5
85.06519	6.0
86.09718	5.3
91.05486	48.6
93.06487	4.8
93.07046	65.5
95.01292	5.2
95.04969	64.7
95.08610	28.8
97.02880	3.8
97.06548	19.4
97.10156	10.0
99.04447	11.8
99.08121	6.4
105.07037	36.6
107.04963	38.9
107.08588	45.7
109.02862	4.1
109.06497	12.4
109.10188	20.9
111.04427	25.7
111.08113	20.4
115.05366	3.8
117.07001	25.2
119.08588	36.7
121.06484	14.6
121.10161	46.2
123.04417	5.0
123.08067	12.6
125.05995	5.9
125.09631	12.7
128.06229	3.4
129.07016	9.1
131.08574	28.6
133.10129	24.4
135.08057	10.2
135.11714	38.1
139.07469	4.1
142.73743	3.9
143.08502	7.3
145.06471	9.8
145.10133	50.4
147.08055	9.7
147.11649	6.5
149.09631	30.7
151.11174	3.3
153.12703	13.2
155.08559	11.6
157.10114	4.7
159.11702	9.8
161.09654	5.2
163.11188	59.6
165.09132	4.3
167.07129	4.3
169.10167	3.9
171.11601	5.5
173.09645	33.2
173.13292	4.5
177.12741	4.4
181.12289	18.7
181.74673	3.3
183.11606	3.4
184.07326	5.6
187.11200	5.2
189.11212	10.0
191.10699	21.3
193.12103	4.2
201.12727	3.6
209.11746	12.2
219.13599	3.4
221.15237	4.1
223.13303	36.1
227.12761	19.2
257.19034	5.8
265.14343	100.0
273.18439	5.2
275.20065	53.7
283.15405	63.7
293.21060	41.4
301.16489	55.1
303.05090	5.7
307.04654	3.7
319.04587	3.6
349.23587	18.1
352.83026	3.5
367.24832	34.7
375.21707	4.9
539.33539	9.1
550.39606	4.2
557.34692	39.0
575.35712	43.7
576.35919	5.5
593.36926	52.2
773.45178	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	773.2136
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01840	0.2
57.03442	1.3
61.02892	0.4
63.02581	0.2
65.03918	0.2
68.56400	0.2
69.03405	0.9
70.06554	0.4
70.47289	0.6
71.01311	0.2
71.04996	7.8
73.02879	0.3
75.04450	0.3
81.03386	0.7
81.03819	0.2
83.04936	0.5
84.08109	0.2
85.02905	11.5
87.04459	0.3
91.03948	0.2
93.03355	0.2
95.04954	0.2
97.02893	1.2
97.21327	0.2
99.04418	0.4
104.41111	0.2
109.02843	0.4
111.00758	0.8
111.04386	0.5
121.02831	0.6
123.04390	0.2
127.03901	0.9
129.04663	0.2
129.05489	2.5
129.10204	0.2
137.02350	2.5
145.04929	0.5
147.06480	0.4
149.02269	0.3
153.01846	2.0
163.03923	0.8
165.01846	1.6
166.02643	0.2
173.05905	0.3
181.04974	1.2
183.02861	0.8
187.03877	0.2
195.02873	0.4
201.05544	0.9
219.06566	0.4
229.04970	3.1
247.06047	0.4
257.04419	2.3
258.05215	0.2
274.04697	0.7
275.05484	0.3
285.03867	1.2
287.05698	0.3
303.04987	100.0
304.05338	1.5
328.47516	0.2
345.06180	0.4
449.10635	0.2
465.10315	27.8
466.10754	0.7
613.09088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.2
57.03442	1.3
61.02892	0.4
63.02581	0.2
65.03918	0.2
68.56400	0.2
69.03405	0.9
70.06554	0.4
70.47289	0.6
71.01311	0.2
71.04996	7.8
73.02879	0.3
75.04450	0.3
81.03386	0.7
81.03819	0.2
83.04936	0.5
84.08109	0.2
85.02905	11.5
87.04459	0.3
91.03948	0.2
93.03355	0.2
95.04954	0.2
97.02893	1.2
97.21327	0.2
99.04418	0.4
104.41111	0.2
109.02843	0.4
111.00758	0.8
111.04386	0.5
121.02831	0.6
123.04390	0.2
127.03901	0.9
129.04663	0.2
129.05489	2.5
129.10204	0.2
137.02350	2.5
145.04929	0.5
147.06480	0.4
149.02269	0.3
153.01846	2.0
163.03923	0.8
165.01846	1.6
166.02643	0.2
173.05905	0.3
181.04974	1.2
183.02861	0.8
187.03877	0.2
195.02873	0.4
201.05544	0.9
219.06566	0.4
229.04970	3.1
247.06047	0.4
257.04419	2.3
258.05215	0.2
274.04697	0.7
275.05484	0.3
285.03867	1.2
287.05698	0.3
303.04987	100.0
304.05338	1.5
328.47516	0.2
345.06180	0.4
449.10635	0.2
465.10315	27.8
466.10754	0.7
613.09088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05035	0.7
58.06636	0.4
59.07409	0.1
60.08165	6.2
67.05486	0.2
69.26698	0.7
70.06588	0.1
71.07376	3.2
79.05520	0.1
81.07065	0.2
85.09130	0.1
86.09708	29.9
87.10027	0.1
91.05460	0.1
93.07068	0.1
95.08603	0.2
98.07896	0.1
98.21465	0.1
98.98469	2.9
104.10743	2.1
105.07043	0.1
117.07042	0.1
119.08582	0.1
125.00008	19.2
143.01033	0.1
145.10182	0.1
166.02638	0.2
184.07343	100.0
185.07672	0.6
208.31667	0.1
265.56088	0.1
283.77011	0.1
295.26868	0.1
496.33810	0.2
610.45239	0.1
707.08606	0.1
754.53815	6.7
755.53705	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	772.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05045	0.7
57.03444	0.2
57.07061	0.2
58.06633	0.5
59.02622	0.1
60.08166	6.1
67.05501	0.6
69.07071	0.4
69.68362	0.1
69.84108	0.4
69.84505	0.3
70.06618	0.2
71.06984	0.3
71.07373	3.8
77.53416	0.1
79.05515	0.3
81.07066	0.5
83.08619	0.2
86.09707	33.0
87.10039	0.6
91.05484	0.4
93.07053	0.4
95.08609	0.5
98.21493	0.3
98.98463	3.7
98.99460	0.2
104.10738	1.9
105.07029	0.3
107.08576	0.3
117.87592	0.1
119.08582	0.2
120.06718	0.1
121.10152	0.2
123.89194	0.1
125.00008	21.1
133.10126	0.2
145.10117	0.2
184.07343	100.0
185.07686	1.2
186.07808	0.5
257.18808	0.2
403.29053	0.1
496.33713	0.2
600.42987	0.3
754.53821	5.9
755.53882	0.3
772.52509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05268	0.9
55.05513	12.7
56.32458	0.5
57.03438	6.5
57.07067	2.3
58.95039	0.6
59.04993	0.8
61.02911	1.9
61.56153	0.6
63.07199	0.6
65.03938	1.9
67.05508	47.7
68.05831	0.9
69.03431	5.9
69.07070	13.3
71.04993	5.7
71.08628	1.8
73.02923	1.7
75.04477	1.5
75.91705	0.5
78.71432	0.6
79.05496	35.1
81.03426	8.8
81.07061	52.1
83.04973	6.9
83.08623	7.8
85.02904	2.3
85.06550	2.5
86.09705	1.1
91.05483	20.8
93.07045	44.8
95.04972	4.9
95.08611	30.6
97.02914	3.7
97.06535	5.4
97.10173	2.1
99.04466	1.0
99.08100	1.7
105.04504	1.0
105.07030	13.9
107.04947	2.3
107.08596	22.3
109.02907	2.3
109.06519	2.8
109.10155	10.7
111.04472	1.4
111.08069	3.6
115.05466	0.9
117.07011	7.5
119.08588	9.6
121.06502	1.7
121.10155	17.4
121.11034	0.8
123.08064	1.3
123.11700	3.9
125.00020	1.3
125.09612	0.9
126.36225	0.8
127.03916	2.4
129.05481	2.4
129.07011	2.3
131.08578	12.1
133.10143	9.6
135.08043	1.9
135.11684	9.3
137.09627	1.0
137.13269	0.9
141.07071	0.6
143.08572	2.5
145.06505	1.2
145.10112	4.9
147.11702	5.5
149.09695	0.8
149.13266	9.9
151.11208	1.9
155.08638	0.6
157.10144	2.2
159.08110	0.7
159.11702	9.1
161.13309	3.8
163.11227	0.8
163.14841	1.6
165.12801	1.4
169.10117	1.9
171.08098	0.7
171.11768	1.8
173.13254	2.9
175.11172	1.0
175.14819	0.9
177.12788	3.1
177.25471	0.6
179.14404	0.8
183.11748	1.3
184.07332	4.3
185.13275	1.8
187.14856	2.1
187.72223	0.6
190.91408	0.6
193.85420	0.6
194.15430	0.6
195.13786	4.5
199.14832	1.0
209.13313	0.9
213.14771	0.8
231.13887	0.8
243.13713	0.7
243.21133	1.2
251.16399	0.8
258.19067	0.7
259.20605	0.7
261.14886	0.7
261.22131	3.5
267.15997	0.9
269.17493	11.6
275.20264	0.6
277.21915	0.9
285.14969	0.8
293.17529	0.9
313.27408	0.9
335.25812	44.7
336.26190	1.2
337.27371	1.1
339.18051	2.2
341.24762	1.4
369.24292	1.9
387.25134	0.8
405.26190	1.1
413.21698	11.8
437.33810	0.8
461.29037	1.1
479.29797	1.5
511.37814	1.4
529.38910	100.0
530.39087	3.5
531.40552	2.4
546.41388	4.7
610.45532	4.0
613.39832	0.7
613.48438	2.0
637.41138	2.0
654.41193	1.1
655.42090	2.7
673.42981	13.3
691.44061	3.1
708.46576	2.5
709.07281	0.6
772.47913	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	772.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.9
55.05510	47.0
57.03439	19.2
57.07080	6.3
59.04995	5.5
59.05272	2.4
61.02933	6.1
65.03938	3.4
67.05507	80.4
69.03424	7.1
69.07076	27.2
70.06596	7.4
71.04963	5.7
71.21387	2.7
71.52464	2.1
73.02885	3.6
75.04482	2.5
79.05500	74.2
80.05810	2.7
80.71678	2.1
81.03419	16.9
81.07057	91.7
83.04990	16.3
83.08618	32.5
85.02899	8.3
85.06550	7.3
86.09690	9.2
89.06013	4.3
91.05489	97.9
93.07045	98.8
95.04991	19.7
95.08618	37.3
97.02902	8.4
97.06554	15.5
97.10168	12.3
99.00820	18.7
99.04459	6.5
99.08093	4.8
103.05479	2.9
105.07037	100.0
107.04972	13.2
107.08598	56.6
109.02866	17.7
109.06525	10.0
109.10172	23.9
111.04446	4.6
111.08085	13.5
115.03918	3.7
115.05423	4.9
117.06220	4.0
117.07021	34.9
119.08586	72.2
121.06525	14.4
121.10132	30.8
123.08062	8.2
123.11677	4.6
125.05988	3.2
125.09619	8.7
128.06219	5.9
129.06987	15.3
131.08577	31.7
133.06483	4.0
133.10138	79.8
135.08055	10.9
135.11690	30.5
137.09610	5.5
139.07544	4.0
141.07085	3.3
143.08572	17.5
145.06453	3.6
145.10132	29.4
147.08044	7.1
147.11699	37.9
149.09618	9.4
149.13252	19.0
151.11195	10.7
153.12756	2.6
155.08490	3.0
157.10091	12.8
159.08066	5.2
159.11696	26.8
161.09639	20.9
161.13243	20.4
163.07562	4.0
163.11180	15.5
163.14920	3.5
165.12805	3.8
171.08049	5.7
171.11723	13.3
173.09637	3.1
173.13255	10.7
175.14824	8.8
177.12817	4.7
179.10603	14.6
181.12239	4.6
183.11679	5.4
184.07365	14.9
185.13249	11.5
187.14917	3.3
189.09116	11.7
189.11206	4.8
189.12732	3.0
191.14281	4.0
193.12308	5.7
197.09502	2.7
197.11624	3.1
199.14771	5.9
199.16702	2.6
207.10196	3.1
207.13788	3.3
213.16394	3.0
223.13258	7.1
225.11209	15.1
227.12755	4.7
231.21141	5.5
241.19569	25.1
243.12210	4.3
255.15907	15.2
259.20593	85.7
269.17514	35.2
271.17120	4.0
275.20093	17.9
277.21689	4.7
281.13818	5.3
281.17401	2.6
283.15402	11.7
289.18042	7.8
293.21198	7.0
299.14886	79.5
313.21555	4.7
315.23196	6.7
333.24237	55.8
349.23816	9.9
351.25287	3.2
367.24759	4.5
381.22900	15.3
447.28958	4.2
465.30078	9.2
477.28345	4.1
483.30905	10.1
511.34348	6.9
521.32080	3.8
529.35504	14.2
539.33624	31.3
547.36395	14.2
557.34821	56.1
575.35864	68.3
592.34637	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	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	1.8
55.05458	11.0
55.05753	1.1
57.03381	4.6
57.07037	1.2
59.04968	0.8
61.02871	13.8
61.03374	0.6
65.03906	0.9
67.05506	18.6
67.05833	1.2
69.03429	7.2
69.07069	9.2
71.01308	1.4
71.04933	1.4
71.08601	0.6
71.24158	0.4
71.42484	0.4
73.02921	7.4
79.05492	13.6
81.03424	4.7
81.07058	21.7
83.04994	2.3
83.08614	5.0
85.02905	11.1
85.06474	1.0
87.04428	1.0
91.03954	6.6
91.05483	13.0
93.07047	16.9
95.04899	2.0
95.08611	18.2
95.09180	0.7
97.02895	11.7
97.06457	1.4
97.10173	3.1
99.04459	0.9
99.08022	1.0
101.02321	1.4
103.05415	0.7
105.07039	13.2
105.07699	0.5
107.04899	1.4
107.08604	10.4
109.02818	1.0
109.06451	1.4
109.10164	7.3
111.04356	0.5
111.08035	1.1
115.03878	0.7
115.05439	2.1
117.06263	0.6
117.07014	7.7
119.08584	13.8
120.08875	0.4
121.10143	6.8
123.07994	1.1
123.11699	2.1
125.09568	1.3
127.03937	2.1
128.06250	2.4
129.05467	0.6
129.07005	8.9
130.07826	0.5
131.08571	13.0
133.10133	9.4
135.07994	1.2
135.11687	4.8
137.09637	0.9
137.13243	0.7
139.11121	0.6
141.06990	5.0
142.07758	2.2
143.08557	10.9
144.09282	0.5
145.04871	0.7
145.06406	0.6
145.10132	12.4
147.08041	0.5
147.10690	0.6
147.11690	6.0
149.09515	0.7
149.13240	2.4
153.06929	1.3
154.07727	1.1
155.08559	10.6
156.09230	1.7
157.10135	11.6
159.08026	0.6
159.10484	0.6
159.11691	8.7
161.13266	2.7
163.11104	0.9
163.14716	1.0
165.06932	1.2
166.07655	0.6
167.08554	4.8
168.09271	1.7
169.08791	0.9
169.10121	12.2
170.10808	0.9
171.11703	10.6
173.13243	5.6
175.14806	1.6
177.12747	0.5
179.08580	2.3
180.09198	0.7
181.08737	0.5
181.10135	6.8
182.10841	1.8
183.11696	12.2
184.12135	0.6
185.13254	7.9
187.11151	0.5
187.14818	3.1
189.16293	1.3
191.08519	1.0
192.09267	0.5
193.10144	3.2
194.10840	0.8
195.11685	7.6
195.76866	0.5
196.12360	1.0
197.13257	9.2
198.13776	0.6
199.11063	0.8
199.13203	0.6
199.14818	5.0
201.16377	1.4
203.17831	0.7
205.10107	0.9
206.10898	0.6
207.11707	3.4
208.12367	0.5
209.13245	6.9
210.14040	0.5
211.14813	5.8
213.12918	0.5
213.16418	3.2
215.17970	1.0
219.11639	1.3
221.13280	2.6
223.14841	5.2
224.15562	0.7
225.16437	3.9
227.15977	0.5
227.17946	1.9
229.19443	0.6
229.74428	0.7
233.13165	1.0
234.13933	0.7
235.14752	2.0
237.16449	3.6
239.18166	2.1
241.19456	1.5
245.13165	0.7
247.14857	0.9
249.16356	2.0
251.17989	2.2
253.19405	1.4
257.18927	0.8
257.54456	0.5
261.16354	0.9
261.21951	0.6
263.17877	1.9
265.19495	1.2
267.21216	0.5
269.88266	0.4
277.19510	0.9
279.21060	1.3
281.19165	0.4
281.22610	0.5
283.20596	0.7
285.18564	0.5
295.20502	0.8
295.23840	0.5
297.21948	1.0
299.20120	0.9
307.20563	0.8
309.22159	1.2
311.23621	0.6
315.23099	0.5
323.23706	1.3
327.23099	0.9
335.23575	0.6
337.21457	0.8
337.25256	0.9
339.23151	0.9
349.25314	0.9
351.22980	0.5
351.26712	1.1
353.24533	0.6
363.26718	1.0
365.28320	0.7
367.13794	0.5
367.26529	0.6
371.25952	0.5
377.28098	0.6
379.30347	0.6
389.28110	0.7
391.29950	0.9
393.27716	0.9
421.30698	0.5
431.29831	0.5
447.32376	1.1
449.34290	0.5
461.33725	0.6
473.32980	0.6
499.39783	0.6
501.35660	0.7
513.35986	1.0
515.38049	0.6
517.40424	6.2
525.35504	0.8
527.37347	1.0
535.41626	3.5
539.37128	1.8
541.38641	1.0
567.40436	0.8
573.43323	0.7
591.44189	7.0
607.43353	2.5
609.45135	100.0
610.45374	3.6
621.45117	1.1
625.43475	0.8
633.45374	1.0
651.46643	1.1
675.46411	0.8
699.46234	1.1
717.46826	1.0
735.48260	2.1
753.49072	2.0
771.50385	22.1
772.50806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	2.2
55.05445	10.9
55.05748	1.5
57.03371	4.2
57.07008	1.7
59.04962	0.6
61.02853	13.4
61.03191	1.5
65.03890	0.8
67.05427	23.3
67.05826	2.1
69.03349	7.5
69.06988	10.2
69.07397	1.0
69.82369	1.8
69.82785	1.4
71.01281	1.7
71.04916	2.3
73.02837	7.7
75.04393	0.6
79.05411	16.3
79.05907	1.4
81.03333	5.0
81.06973	26.0
81.07500	1.6
83.04898	2.2
83.08615	5.7
85.02908	12.6
85.06497	1.4
88.93620	0.5
91.03870	6.0
91.05482	16.5
93.07043	16.9
93.07580	0.8
95.04980	2.9
95.08610	19.8
97.02896	10.3
97.06434	2.2
97.10079	2.7
98.21492	1.0
99.04391	1.4
101.02267	2.0
103.03878	0.7
103.05402	0.9
105.07034	15.6
107.04874	1.5
107.08604	11.5
109.02774	2.0
109.06409	1.9
109.10162	7.5
111.04288	0.8
111.08028	1.4
115.03876	1.0
115.05389	1.5
117.07022	10.0
119.08583	14.6
119.71404	0.5
121.06431	1.1
121.10150	7.7
123.07994	1.3
123.11594	2.3
125.09605	1.0
127.03799	2.5
128.06120	2.4
129.05437	0.9
129.07027	9.3
129.07959	1.2
130.07732	1.3
131.08566	13.1
133.10138	9.9
135.08011	1.4
135.11723	4.8
135.35007	0.6
137.09550	1.1
137.13141	0.9
141.07001	4.2
142.07678	2.5
142.48320	0.6
143.08565	12.0
144.09268	0.6
145.10123	11.7
147.07899	0.7
147.11682	6.7
149.13147	2.4
151.11224	0.6
153.06969	1.1
154.07713	1.1
155.08569	8.6
156.09274	1.3
157.10135	12.1
159.10501	0.6
159.11690	9.0
161.09557	1.0
161.13242	4.3
163.11121	0.7
163.14833	0.8
165.06966	1.1
166.07576	0.7
167.08582	5.0
168.09216	1.1
168.40115	0.6
169.08818	1.1
169.10127	12.5
170.10785	1.4
171.10324	0.8
171.11687	9.4
173.13284	6.9
175.11115	0.9
175.14722	1.7
177.16258	1.0
178.07719	0.6
179.08427	2.1
180.09314	0.9
181.10149	6.8
182.10823	0.9
183.10101	0.7
183.11682	11.7
184.07233	1.0
185.13258	8.9
187.11157	0.7
187.14842	3.9
193.10124	1.6
193.12390	0.6
194.10805	1.1
195.11723	7.7
197.13249	8.5
199.13289	0.6
199.14824	4.9
201.12589	0.6
201.16292	1.8
205.10043	1.1
207.11751	2.9
209.13301	5.6
211.14822	5.7
213.16391	3.4
219.11623	1.1
221.13101	2.3
223.14801	3.7
225.16357	5.0
227.17876	1.7
231.11465	0.7
233.13162	1.2
235.14758	2.3
237.16386	2.9
239.18047	3.5
241.19521	1.3
247.14812	1.0
249.16409	0.8
251.17902	2.0
253.19658	1.2
257.18973	1.2
261.16321	0.9
261.22031	0.8
263.17859	1.4
265.19336	1.0
267.21082	0.7
275.20203	3.1
277.19357	0.7
283.20551	1.0
297.21909	0.9
309.21979	1.1
311.23792	0.7
321.21979	1.3
323.23682	1.4
327.23132	1.0
331.22803	0.8
335.25720	2.5
337.25195	0.9
339.23126	0.8
349.24380	1.4
349.56973	0.7
351.26886	1.5
363.26654	1.0
365.28387	1.4
377.28369	0.8
379.30087	0.9
461.34534	0.6
501.35474	0.9
515.38373	0.7
517.40533	5.8
527.37445	0.8
529.38824	0.7
535.41138	2.4
539.37244	1.4
541.38519	1.3
546.30396	0.6
591.44189	6.2
607.43799	2.7
609.45142	100.0
610.45563	3.8
621.45221	1.2
651.46545	1.0
717.47540	1.1
735.47748	1.5
753.49396	3.0
771.36224	1.1
771.50439	22.6
772.50458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	1.1
55.05439	7.1
55.05742	1.1
57.03360	3.3
57.03666	0.8
57.07006	1.1
57.07259	0.4
59.04971	0.6
61.02850	11.6
61.03196	1.3
65.03864	1.2
67.05423	15.0
67.05823	1.5
67.06011	0.6
69.03348	5.5
69.06985	7.3
69.36039	0.6
69.36369	2.9
71.01276	1.1
71.01637	0.4
71.04909	1.0
71.08556	0.4
71.26808	0.4
73.02834	5.8
73.03276	0.6
75.04390	0.5
79.05405	10.6
79.05906	0.8
81.03330	2.5
81.06969	16.0
81.07494	1.1
83.04895	1.2
83.08533	4.1
85.02814	10.0
85.06499	0.7
87.04413	0.4
91.03865	6.4
91.05486	10.5
93.07050	12.2
93.07573	0.8
95.04873	1.0
95.08613	14.9
95.09161	1.0
97.02895	9.0
97.03461	0.3
97.06533	1.7
97.10172	2.4
99.04362	1.3
99.08030	0.7
101.02408	1.7
101.02917	0.5
103.05394	0.4
105.04465	0.7
105.07033	10.7
107.04884	0.8
107.08599	9.2
109.02785	0.9
109.06418	0.8
109.10159	5.8
111.07993	0.9
115.03862	0.8
115.05354	1.0
117.07030	6.0
119.08584	9.6
121.10150	5.8
123.07967	1.0
123.11716	1.7
125.09606	0.9
127.03909	1.9
128.06223	2.0
129.07007	7.7
130.07724	0.7
131.08575	9.1
133.10135	7.3
135.07942	0.5
135.11674	3.8
137.09506	0.5
137.13156	0.7
141.06992	3.6
142.07800	1.9
143.08569	10.0
144.09268	0.4
145.04871	0.9
145.10130	10.2
147.11693	4.7
149.09550	0.7
149.13261	1.8
153.06892	0.9
154.07652	1.2
155.08560	7.4
156.09187	1.0
157.10138	9.3
158.10768	0.4
159.11702	7.2
161.09535	0.6
161.13257	2.5
163.11116	0.6
163.14809	0.9
165.06889	0.8
166.07652	0.7
167.08585	3.4
168.09222	1.2
169.10126	10.3
170.10730	1.0
171.10304	0.6
171.11693	8.1
173.09523	0.4
173.13269	4.9
175.14693	1.5
177.16296	0.5
179.08508	1.8
180.09319	0.6
181.10147	5.1
182.10815	0.8
183.11700	10.2
185.13261	6.7
187.11140	0.4
187.14856	2.9
189.12544	0.3
189.16252	1.3
193.10136	1.9
195.09991	0.4
195.11708	6.5
196.12299	0.8
197.11520	0.5
197.13260	8.3
198.13640	0.4
199.11220	0.7
199.13571	0.5
199.14850	4.0
201.16312	1.5
203.17717	0.6
205.10008	0.7
207.11678	2.0
208.12477	0.6
209.11514	0.4
209.13274	5.8
210.13904	0.4
211.14832	5.1
213.14583	0.4
213.16489	2.4
215.17824	0.6
219.11478	0.5
221.13303	2.7
223.14812	4.5
225.16422	3.8
227.18182	1.8
229.19534	0.4
233.13171	1.1
235.14900	2.0
237.16380	2.8
239.18056	2.0
239.83771	0.4
241.19591	0.8
247.14824	0.7
249.16319	1.2
251.17828	1.6
253.19431	1.2
255.21231	0.6
259.20499	0.4
261.16229	0.8
263.17871	1.1
265.19388	1.3
267.21048	0.8
269.18918	0.5
279.21030	0.5
283.20477	0.7
285.22214	0.4
293.18750	0.4
295.20328	0.6
297.21878	0.7
299.20114	0.6
299.23386	0.5
305.22513	0.4
307.24005	0.4
309.21976	0.8
311.23523	0.9
321.21991	0.8
323.20142	0.4
323.23532	1.1
323.26947	0.4
325.25195	0.6
327.23022	0.7
335.23630	0.8
337.25256	1.5
339.26740	0.6
341.24649	0.7
349.25168	1.2
351.26804	1.0
353.24564	0.6
355.26529	0.4
361.24847	0.4
363.26666	0.9
365.28345	0.6
367.26166	0.4
369.27771	0.4
377.28409	0.5
379.30161	0.8
381.27869	0.4
389.28168	0.4
391.30075	0.7
403.28836	0.4
405.31662	0.4
407.28650	0.6
409.30942	0.5
417.31549	0.5
421.30527	0.8
433.31073	0.5
435.32419	0.8
447.32315	1.1
449.33963	0.5
459.31802	0.4
465.33456	0.5
473.32846	0.6
487.34314	0.7
499.33347	0.5
499.39673	0.9
501.35995	0.9
513.35992	0.8
515.37646	1.0
517.40552	5.5
523.38208	0.4
525.35651	0.8
527.37646	0.8
529.39960	0.6
535.41406	2.8
539.37512	2.1
541.39160	0.8
553.41559	0.6
555.41125	0.4
567.40472	0.8
573.42865	0.8
591.44104	7.2
591.52832	0.7
593.45422	0.4
607.43915	2.3
609.45148	100.0
610.45447	4.8
611.46399	1.4
621.45422	1.0
633.44794	0.5
651.46271	1.3
675.46210	0.6
699.46277	0.5
717.46973	0.7
735.47949	1.9
753.49609	2.1
771.50439	23.0
772.50812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.7
55.05514	37.9
55.26124	1.2
57.03443	8.2
57.07390	1.0
59.04991	1.3
60.20753	1.0
61.02907	2.7
64.17714	0.9
65.03928	3.2
67.05509	55.4
68.05797	0.9
69.03418	4.0
69.06729	1.4
69.07072	18.9
70.69386	2.9
71.04977	3.9
73.06561	1.9
79.05496	68.0
81.03426	10.9
81.07062	50.6
82.07366	1.0
83.04989	17.1
83.08152	1.9
83.08621	28.3
85.02902	5.3
85.06530	4.4
91.05486	58.0
93.07050	60.5
95.04974	52.4
95.08609	32.8
97.02869	2.1
97.06539	7.0
97.10168	8.6
99.04443	3.9
99.08096	1.0
103.05440	1.4
105.04510	2.5
105.07035	46.2
107.04964	13.1
107.08604	30.1
108.08919	1.1
109.06540	9.7
109.10169	11.1
109.43147	1.1
111.04422	5.7
111.08113	5.7
115.05420	1.7
117.07018	13.9
119.08585	35.2
121.06529	6.6
121.10156	14.3
123.08096	10.0
123.11730	2.3
125.09620	7.2
128.06227	1.4
129.07021	13.1
130.07774	1.2
131.08585	14.5
133.06490	1.7
133.10143	21.7
135.08035	4.3
135.11702	7.4
137.09598	3.7
141.06973	2.3
143.08580	9.9
145.06456	2.3
145.09055	1.8
145.10124	23.2
147.08017	5.4
147.11696	31.1
149.09628	19.6
149.13202	2.6
151.11143	2.5
153.09024	1.7
153.12679	1.2
155.08624	2.1
156.09326	1.1
157.10097	3.1
159.11705	10.5
161.09615	4.7
161.13266	11.2
163.11186	19.9
165.12744	4.7
169.10103	3.2
171.10312	1.3
171.11720	19.9
173.13277	2.7
175.11082	1.8
177.12749	3.3
179.14381	1.1
181.12201	1.2
183.11632	2.2
185.13248	2.4
187.11194	2.7
189.11188	6.5
189.12770	7.5
193.12288	1.2
197.13333	1.8
201.12642	1.1
205.12202	3.8
207.13811	21.2
215.14369	1.6
215.18034	1.4
217.15886	1.3
223.13292	24.5
225.14793	1.2
227.12779	2.8
229.19334	2.4
234.86348	1.0
239.17993	3.3
247.20561	3.1
257.19080	6.2
269.17444	1.8
275.20074	52.4
279.15823	1.3
281.17480	98.9
283.15518	1.9
293.21109	30.6
331.22858	1.8
349.23721	27.8
367.24789	27.1
371.26682	1.0
391.24680	1.4
445.29657	1.5
461.28711	1.5
464.52954	1.1
475.30615	5.6
485.28683	1.6
497.32156	1.3
537.35620	2.0
555.36835	76.3
556.37231	3.8
573.37939	100.0
574.38092	3.2
608.43579	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	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.4
55.05513	23.6
57.03449	5.4
59.04995	1.2
61.02927	1.8
65.03941	2.6
67.05510	42.1
68.05836	0.9
69.03423	5.1
69.07072	14.4
69.69540	4.8
71.01368	0.9
71.04980	2.6
73.02934	0.9
77.03923	1.3
79.05498	58.9
81.03431	9.3
81.07061	41.2
83.04993	9.7
83.08628	12.3
85.02892	2.8
85.06529	3.5
86.09719	1.2
87.04464	1.0
91.05486	47.1
92.05786	1.1
93.07047	52.6
94.07400	1.2
95.04969	11.1
95.08604	19.6
96.08947	1.4
97.02884	2.7
97.06517	8.5
97.10170	21.7
99.04477	1.8
103.05489	1.2
105.04530	1.6
105.07034	40.6
106.07405	1.6
107.04956	10.8
107.08598	41.0
109.02894	2.3
109.06511	5.7
109.10158	10.6
111.04456	1.4
111.08073	2.9
115.05437	1.4
117.07028	10.6
119.08592	23.7
120.08937	1.2
121.06519	3.7
121.10164	7.8
123.08088	5.2
123.11674	1.7
125.09636	19.3
127.03918	2.0
128.06218	2.9
129.07019	11.5
130.07744	1.1
131.08565	10.2
133.06512	1.4
133.10144	18.6
135.08075	4.6
135.11697	3.7
136.12132	1.1
137.09613	1.7
139.45317	0.9
143.08549	7.6
145.10130	20.0
147.08061	1.9
147.11693	28.8
149.09645	10.7
153.09212	1.5
155.08565	3.2
157.10149	3.6
159.11703	6.0
161.09631	4.1
161.13286	8.2
163.11185	4.0
169.10126	2.6
171.10263	1.6
171.11674	18.6
173.11870	1.6
173.13275	4.2
177.12744	1.5
179.10561	1.1
179.14342	1.3
183.11725	3.1
184.07336	4.0
185.13313	1.1
187.11368	1.0
187.13193	1.2
187.14821	1.2
189.11220	7.6
189.12790	5.4
191.14201	1.1
197.13345	2.1
207.13809	16.4
222.21884	1.1
225.14844	1.1
227.12793	40.3
229.19563	1.1
239.18005	2.7
257.19034	8.2
273.18372	1.3
275.20078	37.8
276.20456	1.1
279.15961	2.0
281.17496	50.1
283.15363	1.9
291.19589	1.4
293.21182	1.4
299.14795	2.2
331.22736	4.6
349.23712	23.6
367.25241	1.3
377.23248	2.0
402.58435	1.0
433.25833	1.2
451.26941	21.7
459.31467	1.4
497.32892	1.7
537.35785	7.1
555.36865	100.0
556.36896	2.5
573.35492	8.7
595.30939	3.2
608.43970	4.6
770.46747	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	770.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	9.2
55.05267	2.5
55.05516	30.6
56.05836	2.5
57.03437	12.9
57.07065	3.9
59.04989	5.5
61.02931	10.5
65.03934	7.0
67.05508	87.3
68.05856	2.4
69.03425	10.2
69.07067	30.0
69.71638	1.5
71.01350	1.6
71.04991	7.5
73.02917	6.1
73.32903	1.5
74.85220	1.4
75.04460	3.0
77.03928	2.3
79.05495	100.0
80.05813	4.1
81.03420	23.8
81.07058	90.5
82.07407	2.5
83.04993	17.5
83.08624	14.2
85.02898	9.1
85.06554	5.5
86.09721	2.8
91.03964	5.1
91.05482	90.5
92.05816	3.5
93.07046	93.3
94.07376	3.0
95.04972	25.1
95.08612	47.0
96.08929	2.6
97.02888	9.7
97.06540	16.7
97.10178	5.6
98.03263	1.6
98.20778	5.9
99.04441	2.4
99.08057	3.7
101.02370	2.2
103.05453	2.6
105.07037	79.6
106.07362	4.6
107.04964	15.6
107.08601	41.9
108.08927	3.1
109.02902	3.7
109.06523	10.8
109.10152	16.6
111.08099	5.6
115.05465	3.0
117.07026	25.3
118.07348	3.1
119.08588	56.7
120.08929	2.0
121.06527	3.9
121.10130	19.5
123.08067	13.3
123.11752	4.1
123.79331	1.5
125.00014	1.7
125.06004	4.4
125.09628	4.6
127.03925	5.2
128.06247	5.7
129.05527	2.8
129.07014	25.2
130.07350	1.8
131.08591	25.2
132.08926	3.2
133.06464	3.4
133.09132	2.5
133.10132	39.7
134.10446	3.7
135.08055	5.2
135.11670	11.1
137.09637	3.6
139.07573	1.7
141.07018	4.7
142.07779	3.2
143.08577	18.8
145.10129	25.8
146.10474	2.4
147.07991	3.2
147.11696	52.5
148.12032	2.0
148.57382	2.0
149.09604	7.3
149.13260	10.1
151.11185	2.7
153.06960	1.8
155.08525	4.8
156.09332	1.6
157.10126	10.5
158.10490	2.2
159.07990	2.8
159.11690	17.4
161.09605	7.1
161.13240	19.3
162.18219	1.9
163.11195	12.6
163.14914	2.0
165.12749	2.0
167.08539	5.3
169.10120	8.2
170.10591	2.5
171.11699	33.8
172.12097	2.5
173.13292	10.5
175.11240	2.1
175.14822	6.3
177.12729	5.4
179.08528	4.0
179.14313	3.4
181.10132	5.4
181.12274	8.0
182.10623	1.9
183.11729	8.0
184.07382	5.9
184.12000	1.9
185.13252	7.2
187.14795	3.5
189.12752	9.0
193.10107	2.5
195.11705	4.5
195.13684	2.8
196.12094	3.2
197.13216	5.2
199.14922	3.8
207.11879	3.8
207.13789	24.3
209.13271	4.8
210.13686	2.4
211.14888	2.4
213.16441	1.9
221.13268	2.7
222.13676	1.9
222.15640	1.7
223.14769	2.3
227.12730	3.0
229.34509	2.0
233.15601	1.9
239.18156	2.3
241.19531	10.2
253.14424	2.3
254.14731	2.7
257.19037	7.0
259.20581	21.0
269.17493	11.3
273.18628	2.4
275.20096	16.4
276.20547	2.3
279.15915	6.1
281.17456	50.5
282.17868	1.8
315.23322	3.1
318.81320	2.0
331.22440	2.0
333.24246	16.1
349.23642	10.2
447.32690	2.4
475.30533	38.9
483.34604	1.9
516.39105	2.7
538.35931	2.3
539.37439	30.1
540.37573	2.2
555.36475	8.6
557.38538	9.1
573.37183	6.6
590.42828	2.4
607.43396	7.2
608.43890	35.1
609.44574	1.9
685.16217	1.8
770.49286	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	770.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.8
55.05513	33.6
56.05843	1.8
57.03448	14.9
57.07083	3.9
59.05008	11.6
61.02932	11.3
65.03956	4.7
66.35417	1.7
67.05510	87.0
68.05862	4.5
69.03436	11.1
69.07073	32.3
70.03742	1.8
71.01369	2.3
71.04991	7.1
71.36441	1.8
73.02920	6.8
75.04502	2.0
77.03938	3.5
79.05500	89.0
80.05833	5.7
81.03426	21.1
81.07065	96.9
82.07376	3.6
83.04996	22.0
83.08626	21.4
85.02914	14.3
85.06534	6.8
86.09675	1.7
87.04449	2.0
91.03961	6.1
91.05486	95.0
92.05827	7.1
92.40692	2.0
93.07050	100.0
94.07417	3.2
95.04974	19.2
95.08615	55.0
96.05301	2.0
96.08949	5.4
97.02918	14.1
97.06548	21.0
97.10179	7.3
98.20763	6.1
99.04486	3.1
99.08091	2.5
101.02405	2.0
103.05432	3.3
105.04544	2.8
105.07043	77.9
106.07364	5.3
107.04974	12.1
107.08610	49.7
108.08958	3.9
109.02858	2.0
109.06511	11.9
109.10162	19.2
110.10530	4.4
111.04477	3.2
111.08085	6.2
113.09592	2.2
115.05486	6.2
117.07026	27.0
119.08591	59.5
120.08962	4.1
121.06522	7.2
121.10162	25.9
123.08076	11.0
123.11730	5.4
125.06007	7.9
125.09626	6.0
127.03922	5.2
127.07574	2.0
128.06261	6.1
129.05551	2.6
129.07033	25.8
131.08589	34.6
132.08905	2.5
133.06519	3.6
133.10143	38.5
134.10461	4.0
135.08057	5.3
135.11705	13.4
137.09647	3.4
141.06992	6.7
142.07826	2.6
143.08588	19.7
144.08897	3.4
145.10129	34.7
146.10455	2.2
147.08080	5.8
147.11707	45.5
148.12119	2.1
149.09616	10.2
149.13278	13.5
151.07530	2.3
151.11212	2.9
153.09108	2.6
155.08572	10.3
156.09116	3.0
157.10150	14.6
158.10692	2.1
159.07997	2.7
159.11694	24.7
160.12086	2.2
161.09657	7.9
161.13287	20.9
162.13681	1.8
163.11244	11.7
165.06961	1.8
167.08621	5.4
168.09029	2.1
169.10158	12.9
170.10632	3.8
171.07947	2.3
171.11693	29.6
172.12128	3.4
173.09650	2.2
173.13295	12.2
175.11238	2.7
175.14851	5.1
177.12764	5.4
179.08571	3.8
179.14354	2.9
181.10178	5.4
181.12247	17.6
183.11774	9.7
184.07347	6.6
184.12082	4.2
185.09641	2.3
185.13281	7.3
186.13577	2.0
187.11224	2.6
187.14864	4.4
189.11293	2.6
189.12794	9.1
193.10091	3.5
195.11702	6.9
195.13905	5.5
196.12166	3.2
197.13261	7.9
198.13629	3.0
199.14847	5.0
201.12753	2.0
201.16322	2.1
203.14326	3.9
207.11893	3.9
207.13818	21.1
208.12076	2.5
209.13258	7.0
210.13538	3.2
211.14830	4.5
212.15199	2.6
213.16344	2.2
221.13329	4.5
223.14874	3.0
227.12709	4.0
229.19464	2.3
232.33777	1.7
233.13420	2.3
235.14873	3.5
236.15111	2.4
239.16428	7.1
241.19612	11.0
247.14664	2.4
253.14333	5.2
254.41132	2.0
257.19064	8.2
259.20624	28.7
269.17413	9.7
275.20108	16.8
279.15906	7.0
281.17474	57.0
282.17896	2.7
291.19711	2.4
292.19781	2.1
293.20737	4.4
297.16998	2.6
297.22275	1.8
315.23077	2.1
329.21390	2.4
333.24344	14.0
334.24039	2.2
349.23825	8.6
358.05197	2.2
447.32712	2.8
475.30566	50.1
479.29190	2.9
516.39215	2.4
527.36859	3.7
534.39685	2.2
536.86145	2.1
539.37524	23.7
555.36499	10.3
557.38391	11.2
563.63483	2.0
573.36896	7.0
607.43622	8.3
608.43964	53.7
609.44977	3.9
734.46118	3.0
752.48138	3.6
770.49579	23.4
771.49628	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	770.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
56.05005	1.1
58.24377	0.3
61.02926	3.0
67.05508	0.4
68.04993	0.6
68.99445	0.5
68.99754	1.6
69.03400	0.9
69.41713	2.3
70.06601	2.9
72.08143	0.3
73.02882	0.7
80.04982	0.7
81.03400	0.7
82.06560	0.9
83.06107	7.9
84.04505	6.2
84.08103	1.4
85.02909	2.7
85.03974	0.7
87.24363	0.3
91.03918	1.0
95.01299	0.5
96.04458	0.5
97.02888	1.6
98.06038	0.7
98.23760	0.3
99.05574	1.6
100.03928	0.6
107.06083	3.2
108.04456	1.4
109.02847	0.5
109.07641	9.0
110.05991	1.1
110.07166	0.6
111.00759	0.6
112.03918	1.5
112.04636	0.4
119.04906	0.4
123.00101	0.3
123.00806	3.5
126.05434	0.7
127.03907	0.6
127.04941	0.6
129.06606	9.8
129.10201	1.1
130.05002	3.8
131.04451	0.3
135.05495	1.0
136.03935	2.9
137.02330	0.5
141.04776	0.8
142.05028	0.4
145.06024	1.4
147.04398	0.8
153.00000	1.4
153.01830	8.6
153.06592	10.3
154.04955	0.6
155.08156	8.7
160.00575	0.4
163.03864	0.9
164.07089	0.5
164.99925	0.5
165.01782	1.0
166.00847	0.8
168.05200	0.5
168.99461	0.4
176.07022	0.5
177.00078	2.4
177.03296	1.3
179.01619	6.2
180.99495	1.2
181.06097	3.1
182.22896	0.4
183.02919	0.4
186.06317	1.2
187.05376	0.9
191.01646	1.5
192.99557	4.0
195.01131	0.7
196.99030	0.8
199.07143	10.2
203.01634	1.0
204.99545	0.3
207.01115	7.8
208.06053	0.6
209.02609	0.6
211.07123	1.3
215.03380	0.7
219.01122	1.4
220.99043	10.0
221.02505	0.7
228.25021	0.4
231.01134	1.6
231.04326	0.7
232.99165	0.4
233.02574	0.5
235.00697	1.8
237.02248	0.6
238.07069	0.4
239.00093	3.8
243.00847	0.8
243.02911	1.5
244.03635	1.0
245.04520	0.5
247.00583	0.5
249.02010	0.7
253.01535	0.5
256.09207	0.4
257.07733	2.7
259.00607	3.6
261.04117	2.8
263.00076	1.7
265.01624	0.4
271.00522	2.3
272.03152	0.5
273.03967	0.6
275.00125	0.6
277.01651	16.7
278.85388	0.4
285.02011	1.6
287.00156	3.3
288.00909	2.7
289.01453	0.5
298.04684	1.0
299.00082	0.7
299.05768	0.3
300.02533	2.3
302.04208	1.4
303.03128	1.2
303.05447	0.8
305.01144	100.0
306.01419	1.4
313.03867	4.2
314.99506	1.2
316.00375	0.8
317.01132	8.0
318.01514	0.3
326.04306	0.4
329.01398	0.8
331.02695	13.2
333.00635	43.3
334.01089	0.7
335.02203	10.2
341.01074	2.4
353.75159	0.3
358.04181	0.3
359.02203	15.9
360.02417	0.4
376.04825	3.6
442.06192	1.7
462.04910	24.2
463.05106	0.6
470.05676	0.8
479.07590	56.2
480.07736	1.1
533.08667	24.4
534.08868	0.6
545.08594	4.1
590.10687	1.5
591.09564	0.5
608.11816	40.7
609.12115	1.5
650.13159	0.5
686.12836	0.6
770.17542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.4
55.05516	18.5
57.03445	8.3
57.07071	2.1
59.04995	1.0
61.02932	15.5
65.03958	1.8
67.05511	37.6
69.03435	14.8
69.03775	1.3
69.07072	13.7
71.05005	3.3
71.08624	0.8
71.53289	1.3
73.02923	9.1
79.05498	28.4
81.03423	14.4
81.07066	36.9
83.04991	4.6
83.08622	7.6
85.02915	13.2
85.03380	1.1
85.06548	1.9
91.03967	6.8
91.05489	26.2
93.07048	29.3
95.04989	6.4
95.08618	27.1
97.02903	15.6
97.06532	4.8
97.10218	4.5
97.10738	0.7
99.04460	2.1
99.08150	1.0
100.43182	0.9
101.02415	3.3
103.05471	1.7
105.07037	21.5
107.04992	3.8
107.08601	16.6
109.02940	3.0
109.06544	4.9
109.10174	10.4
111.04488	1.5
111.08122	2.1
113.06087	1.1
115.04052	1.0
115.05495	1.9
117.07017	12.5
119.08584	16.6
119.09339	0.9
121.06556	2.2
121.10148	10.2
123.08117	2.8
123.11757	1.9
125.09667	2.9
127.03917	5.0
128.06216	4.3
129.05516	2.2
129.07008	12.4
131.08582	20.2
131.09503	1.1
133.06532	1.7
133.10152	14.4
135.08112	2.8
135.11708	5.5
137.09622	1.9
141.06998	7.1
142.07832	3.6
143.08577	13.0
143.09566	1.1
145.05089	0.9
145.06496	1.7
145.10139	15.6
147.08072	1.3
147.11682	10.2
147.12596	0.8
149.09688	2.4
149.13332	2.4
151.11252	1.5
153.07083	2.8
154.07829	2.7
155.08569	13.4
156.09383	2.6
156.53979	0.8
157.10133	13.5
159.08138	1.7
159.11719	10.3
161.09702	2.0
161.13257	4.6
163.11241	2.3
165.07072	3.3
165.12888	1.4
166.07832	2.1
167.08589	9.2
168.09428	2.7
169.10155	15.5
170.10936	1.0
171.08156	1.2
171.11685	12.3
173.04439	4.3
173.09669	1.2
173.11902	1.9
173.13208	5.1
173.73856	1.0
175.14882	2.0
177.12804	1.3
178.07884	1.4
179.08528	6.1
179.14308	1.0
180.09352	1.8
181.10126	11.9
182.10941	2.3
183.08145	0.9
183.11703	14.7
185.09769	1.7
185.13269	8.1
187.11235	1.5
187.14964	3.0
189.11374	1.2
191.08553	2.2
192.09489	1.6
193.10167	6.9
194.11011	2.2
195.11708	12.7
197.13295	11.1
199.11211	1.6
199.13261	0.9
199.14857	4.6
201.16568	1.9
205.10213	2.4
206.10992	1.1
207.11742	6.4
208.12602	1.3
209.13274	9.4
211.11543	0.8
211.14876	6.7
213.12970	1.4
213.16528	2.3
217.10349	1.0
219.11795	2.4
220.12462	1.6
221.13284	7.6
222.14064	1.0
223.14940	6.2
225.12889	1.3
225.16434	5.2
227.18143	1.6
229.14316	0.9
233.13449	2.9
234.14192	0.8
235.14943	4.8
237.12752	1.0
237.16414	5.0
239.18169	2.9
245.13457	1.5
247.14880	1.7
249.16537	2.6
251.18112	2.6
253.19678	0.9
257.19196	2.8
259.15048	1.1
259.20856	1.3
261.16458	1.3
263.18057	2.8
265.19522	1.6
273.16208	1.1
273.18860	1.1
275.20224	6.3
277.19565	1.9
279.18008	1.0
279.21066	1.2
283.20779	1.1
295.20660	1.0
297.22305	1.2
303.20825	1.1
305.22827	1.0
307.20444	0.9
307.71228	0.9
313.21921	1.1
315.23474	1.0
321.22488	2.2
325.21933	1.6
327.23322	0.9
333.22153	1.3
335.23840	1.0
337.21655	1.4
347.23831	1.6
349.24899	1.7
351.23288	2.0
363.27255	1.1
365.24649	1.4
385.23862	1.7
389.28946	1.0
391.30405	1.3
401.28781	1.1
421.30997	1.5
433.31384	1.3
435.32663	1.0
445.31113	2.0
447.32712	1.8
480.63013	0.9
487.34372	1.1
499.34476	1.5
511.34552	1.1
513.36151	2.0
515.39014	7.8
523.33875	1.2
525.36127	1.7
533.40265	3.2
537.36169	2.8
538.36908	1.3
539.37872	1.3
551.41339	1.8
555.37018	1.4
573.34357	1.0
589.43268	4.4
605.41974	3.3
607.43597	100.0
608.43970	5.6
619.43677	1.7
623.42902	1.1
625.45190	2.8
649.44751	1.5
679.45056	1.0
715.45801	1.8
733.47174	4.4
751.48383	6.1
769.49030	39.7
770.49164	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	769.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06038	0.9
55.01881	6.1
55.05512	22.6
57.03439	8.7
57.07076	2.8
59.05001	1.2
60.99271	1.0
61.02609	1.1
61.02925	18.5
65.03934	3.0
67.05505	49.1
69.03087	1.6
69.03432	21.1
69.07070	18.7
70.63357	2.8
71.01344	2.4
71.05008	4.9
71.08646	1.2
73.02924	10.5
73.30447	0.8
77.03920	1.0
79.05495	38.5
81.03419	24.6
81.07056	44.5
83.04982	6.8
83.08615	11.2
85.02908	17.7
85.06541	1.9
87.04465	1.1
91.03950	9.5
91.04901	2.1
91.05481	44.0
93.07045	39.2
95.04974	9.4
95.08610	37.6
97.02888	18.7
97.06534	5.4
97.10181	5.3
99.04441	4.7
99.08073	1.4
101.02385	4.0
103.05500	2.0
105.04549	1.5
105.07036	34.2
107.04951	5.8
107.08594	23.6
109.02881	7.4
109.06528	5.1
109.10156	13.8
111.08090	3.3
113.06072	1.0
115.03943	1.8
115.05469	3.0
116.06297	1.3
117.07011	20.7
119.08583	28.2
121.06516	3.5
121.10163	12.6
123.04469	1.6
123.08082	3.5
123.11676	4.7
125.05966	0.9
125.09650	3.3
127.03927	7.4
128.06238	5.3
129.05531	1.2
129.07018	14.8
130.07802	1.3
131.04965	1.1
131.08574	21.4
133.06508	2.3
133.10135	19.6
135.08047	4.5
135.11694	7.7
137.09622	2.7
141.06990	10.5
142.07826	3.1
143.07031	0.8
143.07442	1.5
143.08557	15.8
144.09344	1.9
145.04959	1.6
145.06476	2.2
145.10124	21.3
147.08058	1.6
147.11667	11.6
149.09583	4.5
149.13306	3.2
151.11198	2.3
153.05701	1.0
153.07014	2.8
154.07813	2.8
155.08551	18.4
156.09273	2.0
157.06538	1.8
157.10120	15.8
159.08084	2.4
159.11691	13.4
161.09660	2.8
161.13264	4.7
163.07484	0.9
163.11238	2.9
163.14795	1.1
165.06992	4.6
166.07790	1.9
167.08556	10.4
168.09384	3.6
169.10124	17.7
171.07993	1.9
171.11687	13.3
173.04492	8.0
173.05916	1.4
173.09660	3.5
173.13220	8.2
175.11247	1.0
175.14951	2.2
177.12805	1.9
178.07825	2.2
179.08569	7.1
180.09419	3.4
181.10118	14.6
182.10915	3.2
183.08124	1.3
183.11693	14.7
184.07356	2.1
185.09715	1.8
185.13246	10.2
187.11244	2.1
187.14915	2.9
189.12836	1.3
189.16341	1.3
191.08556	2.6
192.09398	2.0
193.10112	8.5
194.10907	2.5
195.08139	1.1
195.11691	12.3
195.13556	1.3
196.12617	1.1
197.09628	1.4
197.13228	11.7
199.11177	1.7
199.14812	5.8
201.12787	1.7
201.16420	1.7
203.14389	1.1
204.09412	1.3
205.10231	3.0
206.10925	1.4
207.11697	8.8
208.12454	1.9
209.13266	12.5
210.13951	1.7
211.11134	1.5
211.14847	7.5
213.12944	1.7
213.16391	3.0
215.14351	1.3
217.10255	2.0
219.11771	4.2
221.13246	8.1
222.14084	1.1
223.11249	1.3
223.14841	7.7
225.12775	1.6
225.16348	4.7
227.14349	1.2
231.11757	1.9
233.13330	3.8
235.14822	5.9
237.16360	6.9
239.14380	1.3
239.18028	3.4
241.19618	1.7
243.14349	1.0
245.13283	1.4
247.14804	2.7
247.20639	1.4
249.16437	4.0
251.18094	3.6
253.19572	1.4
257.19125	2.7
259.20712	2.8
263.17950	2.7
265.16040	1.4
265.19492	1.8
269.15341	1.1
273.18777	1.4
275.17804	1.0
275.20166	7.5
277.19492	1.3
279.21191	2.1
283.20374	1.1
291.20776	1.2
295.20782	1.2
297.22269	1.7
299.20279	1.3
307.20740	1.2
309.22116	1.9
313.21808	2.0
315.23331	1.5
321.22159	2.2
325.21799	2.0
327.23199	1.9
337.21808	1.4
349.24292	1.6
351.23230	3.0
363.26950	1.9
367.22708	4.1
369.24423	1.6
385.23950	1.7
403.29837	1.1
441.26154	1.0
445.30933	1.7
459.27454	1.1
497.38110	1.1
499.34634	1.5
507.34933	1.6
511.34683	1.2
515.39050	6.4
523.34229	1.7
525.36053	2.2
533.40240	2.3
537.35596	2.7
538.36346	2.3
539.37811	1.2
589.42407	5.0
607.43555	100.0
608.44147	4.2
619.44122	2.0
625.44739	1.2
635.39606	1.6
653.40515	1.8
671.42004	3.4
697.44922	1.5
705.46710	1.2
715.45892	2.4
733.47113	4.0
751.48077	5.4
769.48859	43.0
770.49500	3.0
773.94641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03914	2.8
98.21529	1.2
107.57729	0.6
117.03393	3.0
135.04416	6.2
143.01956	0.8
145.02847	5.4
147.04416	0.9
161.02991	0.7
163.03911	31.8
164.04237	1.3
172.65990	0.6
185.02124	4.4
203.01897	0.8
207.82393	0.5
215.01663	1.2
221.02956	15.2
231.42378	0.5
233.02687	32.7
239.04063	1.8
245.02995	3.5
260.52008	0.6
263.04056	5.1
281.05090	2.0
303.03491	0.7
326.32605	0.5
347.04025	2.3
349.04022	0.9
359.02628	0.6
365.05176	1.3
377.03836	6.3
395.05865	100.0
396.06271	2.3
413.05731	1.7
496.90808	0.6
557.07611	1.5
569.06641	1.3
587.08252	0.6
774.61566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.7
55.05513	21.3
56.03006	1.0
57.03440	8.0
57.07066	2.0
61.02918	1.7
65.03934	4.2
67.05506	68.4
68.05826	1.1
69.03420	6.1
69.07069	18.6
69.68172	1.0
70.18533	1.0
70.70537	1.9
71.04993	6.0
73.02901	1.1
73.06564	1.3
77.03922	1.6
79.05495	67.8
81.03423	11.3
81.07060	67.4
82.07350	1.2
83.04984	15.7
83.08624	10.4
85.02895	3.3
85.06563	5.3
87.04472	1.0
91.05484	71.9
93.07047	68.1
95.04972	21.3
95.08607	30.0
96.08927	1.3
97.02893	4.3
97.06522	9.1
97.10184	4.8
98.92633	0.8
99.04456	2.1
103.05491	1.9
105.04537	2.4
105.07034	56.8
107.04956	11.3
107.08596	34.9
109.02895	1.1
109.06523	10.4
109.10162	31.4
111.04450	2.8
111.08073	3.1
115.05449	2.1
115.07568	1.5
117.07025	12.2
119.04903	1.1
119.08586	26.3
121.06506	8.7
121.10146	10.6
123.04424	2.3
123.08094	6.6
123.11717	6.1
125.05968	1.5
125.09664	2.6
127.07568	2.3
128.06242	3.4
129.05547	1.1
129.07005	15.3
131.08574	18.5
132.05623	1.0
133.06477	8.4
133.10133	47.5
135.08054	10.2
135.11725	5.0
137.09610	3.7
139.07524	2.4
141.07004	3.2
141.89891	0.9
142.07764	2.3
143.08566	12.0
145.06487	1.6
145.10129	13.5
146.54013	1.0
147.08060	8.3
147.11685	23.9
149.09592	9.4
149.13269	1.3
151.11177	19.5
155.08556	2.4
156.09319	1.0
156.76257	0.9
157.10168	6.0
159.08090	3.3
159.10510	1.0
159.11684	6.1
161.09631	10.1
161.13264	7.9
163.11186	4.2
165.09079	1.7
165.12671	1.1
169.10141	3.2
169.12268	2.8
171.11696	21.0
173.04523	1.4
173.09636	2.3
173.13252	1.7
175.11171	4.8
177.09128	3.4
177.12793	2.1
179.10690	1.6
181.10156	1.2
183.11696	2.1
184.07324	2.6
185.09598	1.2
185.13261	3.1
187.11108	1.5
187.14781	1.1
189.12767	10.0
193.10373	0.9
193.12279	1.2
195.11703	1.8
195.13876	1.2
197.13313	1.4
199.11191	2.0
199.14876	1.2
207.13789	15.9
209.13269	1.4
211.14951	1.1
213.12862	1.0
215.12767	2.3
223.13287	3.0
223.60368	0.9
225.14870	1.9
227.17932	2.6
231.17523	1.2
245.16501	1.1
245.19022	8.0
251.12849	3.6
253.14359	46.1
255.17447	2.8
263.19995	2.9
271.15442	1.4
273.18503	35.5
275.19958	2.7
276.20551	1.4
279.15933	1.4
281.17480	56.1
291.19556	41.8
292.20105	1.3
301.21759	1.0
309.20682	1.4
329.21109	2.2
347.22134	13.7
365.23224	26.7
403.24542	1.0
459.27377	1.4
473.27948	1.1
475.26813	4.0
477.28461	30.0
478.28226	1.1
543.36639	1.0
553.35254	18.9
571.36292	100.0
572.36523	3.9
589.36865	1.7
607.43964	6.0
768.47369	1.6
769.48285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.0
57.03425	1.9
58.06606	3.0
58.67554	1.8
65.03933	2.1
67.05508	17.6
69.07059	6.3
74.09707	4.1
79.05497	25.8
81.03423	2.5
81.07066	16.9
83.05011	3.0
83.08602	1.8
91.05483	11.4
91.90591	1.4
93.07053	23.0
95.04980	5.7
95.08612	15.4
97.10162	3.5
105.07014	12.9
107.04933	1.6
107.08613	10.1
109.06499	2.2
109.10155	5.0
117.07007	2.3
119.08591	8.7
121.06537	1.8
121.10178	4.6
123.08053	2.4
129.07016	3.7
131.08582	4.7
133.10149	6.6
135.11699	5.4
143.08562	3.6
145.10165	3.4
147.11691	13.2
149.13287	3.0
159.11699	3.2
161.09560	2.5
161.13274	4.4
171.11708	6.7
184.07330	4.2
189.12764	2.9
207.13832	8.2
261.22217	5.0
275.19803	1.8
279.15997	2.2
281.17490	48.4
302.08609	2.1
317.24792	2.5
335.25845	23.7
541.38928	100.0
542.39038	1.9
559.39813	4.1
589.48163	2.6
669.66205	1.9
717.63599	1.8
788.92920	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01871	15.7
55.05513	28.7
57.03232	0.8
57.03445	7.7
57.07077	1.5
65.03940	4.3
67.05507	48.1
67.15113	1.1
69.03426	4.4
69.07067	14.2
70.78020	2.4
71.04988	5.5
76.95259	0.9
78.83840	0.9
79.05495	55.0
79.12814	0.9
81.03423	11.9
81.07060	100.0
83.04986	18.6
83.08619	17.0
84.08140	0.9
85.02911	5.8
85.06528	2.6
87.04428	1.2
91.05484	35.0
92.05828	0.8
93.07045	35.1
94.07376	1.1
95.01325	1.6
95.04385	1.7
95.04975	23.3
95.08607	18.5
97.02890	1.1
97.06526	10.7
97.10179	20.0
99.04453	3.8
99.08078	2.3
103.05453	2.3
105.04505	1.9
105.07036	25.8
107.04955	16.2
107.08600	25.0
109.02879	1.0
109.06519	17.4
109.10157	14.5
111.04453	21.7
111.08088	9.8
113.32399	0.9
115.05460	2.2
117.07018	16.1
119.08591	28.6
121.06510	11.3
121.10152	17.0
122.10358	0.9
123.04385	1.7
123.08073	33.5
123.11698	1.5
125.05978	1.5
125.09635	17.0
128.06226	2.5
129.05450	1.7
129.07011	9.7
130.07841	1.3
131.08574	18.6
133.06493	4.1
133.10133	10.7
135.08037	8.0
135.11700	11.5
137.06015	0.9
137.09602	4.4
139.07530	1.6
142.07866	1.1
143.08562	7.2
145.06508	3.4
145.10130	24.0
147.08057	13.7
147.11653	4.9
149.09612	9.4
149.13196	1.5
151.11247	1.2
153.09100	2.5
153.12738	9.9
155.08536	2.5
157.06580	1.2
157.10130	7.2
159.08063	3.0
159.11673	5.2
161.09636	9.2
161.13237	1.5
163.11188	22.7
165.09119	5.1
169.10118	2.2
171.08128	1.2
171.10136	2.7
171.11703	4.8
173.09631	7.3
173.13193	1.7
175.11201	4.8
177.12796	1.9
181.10670	1.3
181.12248	12.6
183.11705	1.5
185.13274	2.9
187.11156	1.3
189.11226	16.2
189.12759	2.3
191.10664	13.8
193.12206	2.1
199.11249	2.4
203.14145	1.5
205.12222	2.4
209.11661	4.3
211.14970	1.1
213.12640	1.7
215.14243	1.0
217.12323	1.0
219.13766	1.2
223.13255	8.6
227.12793	19.4
227.17986	3.7
236.38867	1.1
237.16504	1.4
245.14006	1.1
245.18985	2.8
249.14897	2.6
255.17752	5.3
263.19907	1.9
273.18491	46.6
274.18738	1.3
283.15448	6.5
291.19550	90.0
292.20023	2.0
309.20538	5.7
347.22302	13.3
365.23239	36.2
383.24234	3.4
389.91910	1.0
393.23065	1.0
409.25934	1.5
410.26111	1.3
437.21625	6.5
450.29138	2.4
455.22675	8.3
473.19507	1.0
530.35498	1.4
535.32190	1.1
554.30249	1.0
573.34070	1.5
614.42438	1.0
637.40961	4.4
655.42279	6.4
673.42639	3.2
695.67145	1.2
727.40210	3.8
745.41608	6.3
763.43115	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	762.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.6
57.07077	34.6
57.20748	0.7
59.04996	1.3
63.62452	0.9
67.05486	2.4
69.03413	1.3
69.07063	2.3
71.08637	23.9
71.52274	0.9
71.52665	1.4
73.02900	1.5
73.06561	9.8
75.11713	0.9
79.05512	1.9
81.07040	2.4
83.08610	2.8
85.10184	17.8
86.09731	1.3
87.04478	12.6
89.06033	100.0
91.05482	1.8
93.07018	2.4
94.47967	0.8
95.04967	1.1
95.08579	1.5
97.06516	1.1
97.10163	3.6
99.11722	4.3
105.03316	0.9
107.07071	1.5
109.06533	1.0
109.10177	1.4
109.81335	0.8
113.13292	1.4
116.25304	1.0
117.07005	0.9
117.09124	9.0
121.10204	1.6
130.08633	2.8
131.07033	2.6
133.08609	53.9
135.10202	1.4
135.11679	1.5
155.17937	5.0
161.11722	3.2
167.83498	0.9
175.09653	2.6
177.11241	21.7
184.07350	3.9
199.20567	4.3
221.13838	5.8
239.14767	1.1
240.23293	1.2
243.23172	10.7
265.16440	2.3
287.25818	6.9
309.19073	1.6
353.21887	1.3
410.32526	0.9
449.73022	0.9
503.01050	1.0
591.35791	1.2
745.52661	4.2
762.42480	2.6
762.55182	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	760.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05517	2.4
57.07076	30.9
59.04999	0.6
64.59477	0.5
67.05527	1.1
69.07067	4.5
69.59060	0.5
69.74483	0.5
71.08630	31.1
71.51884	0.5
73.02916	1.0
73.06198	0.4
73.06555	10.8
81.07048	1.2
83.08609	4.5
85.10183	18.5
86.09698	1.5
87.04471	11.9
89.06031	100.0
91.07598	1.5
92.04147	0.6
93.07068	0.5
95.08608	0.8
97.10172	4.8
99.11742	2.3
105.07040	0.9
107.07074	2.2
109.10176	0.6
111.11695	3.8
113.13313	1.2
116.68829	0.5
117.09132	8.6
121.10172	0.5
125.00033	1.3
125.13251	1.7
127.14839	2.1
130.08636	4.1
131.07033	3.9
133.08603	55.6
135.10188	1.4
141.16394	0.7
161.11748	2.1
165.12756	0.5
174.52922	0.6
175.09796	2.4
175.13258	0.5
177.09663	1.2
177.11223	23.9
179.12897	0.7
184.07344	5.3
197.22624	2.9
219.12279	0.9
221.13853	5.6
223.15421	0.8
230.15259	0.5
239.14900	1.2
241.25356	2.8
265.16550	1.4
283.17590	1.7
285.27878	8.0
299.44037	0.5
309.19171	1.1
327.20340	1.0
329.30560	5.5
353.21683	1.2
371.22424	0.6
433.16635	0.6
519.94836	0.5
528.72668	0.6
547.33368	1.7
549.06659	0.5
743.55237	4.3
760.57715	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	760.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01872	7.5
55.05515	24.7
57.03440	16.2
57.07070	1.5
59.05013	1.1
61.02917	2.9
65.03942	3.2
67.05509	55.9
69.03432	5.0
69.07076	22.0
70.06570	1.3
71.01356	2.8
71.05000	5.0
73.51358	0.8
77.03896	0.9
79.05499	51.7
81.03419	11.5
81.07063	72.3
83.04985	18.7
83.08619	12.2
84.08146	0.9
85.02914	5.0
85.06541	4.8
86.09710	5.2
91.03957	1.0
91.05487	32.0
93.07050	54.8
95.04976	15.2
95.08615	18.2
95.43952	0.8
97.02890	2.6
97.06536	16.2
97.10178	27.8
99.04453	3.1
99.08112	3.0
99.71825	0.7
104.47028	0.9
105.04542	0.8
105.07038	20.9
107.04963	12.2
107.08602	38.6
109.02892	1.0
109.06534	10.9
109.10159	13.6
111.04446	11.5
111.08089	8.1
113.05966	1.2
115.05473	1.8
116.44693	1.0
117.07037	13.0
119.08588	22.7
121.06515	8.1
121.10153	14.1
123.04507	1.1
123.08079	16.5
123.11726	1.9
124.99999	2.1
125.06001	2.2
125.09639	21.4
127.07566	1.1
128.06245	1.7
129.06993	5.3
131.08583	11.3
133.06500	2.4
133.10141	12.4
135.08066	7.6
135.11702	43.3
137.09628	7.8
139.07584	1.1
139.11195	2.5
141.06978	1.7
143.08597	5.1
145.06464	1.6
145.10132	20.8
147.08067	9.8
147.11681	4.9
149.09615	6.4
149.13303	2.2
151.07458	1.2
151.11166	1.6
153.09108	2.3
153.12758	7.1
155.08525	2.5
157.10155	5.0
159.08098	2.3
159.11723	5.0
161.09627	8.3
163.11197	24.1
164.11533	1.0
165.09135	4.3
165.12802	1.1
169.10121	1.5
171.10323	1.7
171.11729	4.4
173.09627	3.3
173.11774	1.0
173.13164	1.0
175.11154	3.9
175.14891	0.9
177.09132	1.3
177.12796	2.4
181.10474	1.2
181.12239	17.6
181.13655	0.6
183.11621	0.8
184.07361	13.9
185.13319	2.0
187.11133	0.9
189.11224	12.3
189.12784	2.1
191.10736	4.9
193.12285	2.9
195.11728	1.2
199.11209	1.7
199.13231	1.6
199.14919	1.7
205.12224	1.8
209.11670	1.6
213.12782	1.4
213.16391	0.9
223.13290	6.8
227.12776	20.0
227.17886	1.3
231.13756	1.1
245.19020	3.9
253.14305	2.6
255.15887	94.5
256.16196	1.4
271.15451	2.3
273.15497	1.0
273.18518	38.4
275.20056	2.4
283.15375	4.4
291.19568	65.5
292.19977	1.1
309.20648	6.9
329.20792	0.9
347.22223	8.4
365.23233	29.9
383.24265	8.7
419.27902	3.4
425.25320	8.4
435.28738	1.4
453.30124	1.1
463.26715	1.6
471.30707	1.4
481.27802	3.6
505.31284	0.9
517.35248	1.0
527.33820	16.1
545.34760	100.0
546.34808	2.8
563.35846	41.7
564.36060	1.0
773.16528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01875	5.0
55.05514	10.5
57.03436	3.4
61.02935	8.0
65.03915	1.2
67.05508	15.8
67.08192	0.8
69.03423	3.5
69.07063	7.5
70.06604	5.3
71.04985	2.4
71.52950	1.5
72.08154	2.1
72.85075	0.9
73.02916	2.5
79.05501	19.0
81.03416	3.8
81.07059	36.5
83.04975	4.3
83.08627	5.7
84.04501	0.9
84.08153	3.5
85.02911	10.7
85.06535	1.7
86.09709	3.4
91.03954	7.5
91.05478	15.7
93.07049	15.6
95.04974	8.5
95.08616	7.9
97.02898	5.8
97.06525	1.8
97.10184	3.5
99.04469	1.9
99.08148	0.9
103.05471	1.0
105.07039	13.8
107.04949	7.7
107.08610	9.5
109.06522	6.5
109.10165	5.4
111.04446	1.3
111.08106	2.5
117.01099	1.6
117.07021	10.5
119.04966	0.9
119.08596	21.6
121.06512	7.7
121.10153	8.9
123.04404	1.0
123.08102	8.4
125.05999	0.9
125.09615	4.4
127.03903	3.6
129.07040	4.9
129.10243	1.3
131.02550	0.9
131.08586	11.0
133.06500	4.1
133.10161	7.4
135.08081	7.3
135.11708	3.0
136.07587	1.3
137.09612	2.1
142.07765	1.7
143.08545	6.0
145.00523	1.0
145.04985	3.9
145.06432	1.0
145.10121	12.4
147.08072	12.7
147.11702	3.0
149.09642	6.9
153.09042	1.2
155.08565	1.1
157.06516	0.9
157.10170	5.6
159.08058	2.5
159.11722	5.8
161.09627	7.7
163.05975	2.8
163.11171	7.2
169.10165	1.3
171.11693	3.5
173.09637	2.2
173.13208	1.1
175.11247	3.8
177.12720	1.0
181.10123	1.7
181.12225	1.1
183.05817	0.9
183.11725	1.1
184.07355	2.0
185.13251	2.4
187.11194	1.8
189.11195	1.4
189.12796	1.9
193.12280	1.2
197.07278	2.0
199.11195	1.5
203.14354	1.3
223.13268	2.3
227.17955	3.1
231.13644	1.2
237.16490	1.5
245.19052	2.3
249.14948	4.8
255.17476	4.0
273.18500	27.0
281.16751	1.1
291.19550	57.8
292.19925	0.9
307.18881	1.2
309.16211	4.7
311.18607	2.7
327.17255	2.9
347.22269	6.1
349.24615	0.9
365.23248	48.5
366.23322	1.1
383.19876	20.7
401.20932	100.0
402.21176	1.6
419.21671	1.0
531.23682	0.9
727.71521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01875	5.0
55.05514	10.5
57.03436	3.4
61.02935	8.0
65.03915	1.2
67.05508	15.8
67.08192	0.8
69.03423	3.5
69.07063	7.5
70.06604	5.3
71.04985	2.4
71.52950	1.5
72.08154	2.1
72.85075	0.9
73.02916	2.5
79.05501	19.0
81.03416	3.8
81.07059	36.5
83.04975	4.3
83.08627	5.7
84.04501	0.9
84.08153	3.5
85.02911	10.7
85.06535	1.7
86.09709	3.4
91.03954	7.5
91.05478	15.7
93.07049	15.6
95.04974	8.5
95.08616	7.9
97.02898	5.8
97.06525	1.8
97.10184	3.5
99.04469	1.9
99.08148	0.9
103.05471	1.0
105.07039	13.8
107.04949	7.7
107.08610	9.5
109.06522	6.5
109.10165	5.4
111.04446	1.3
111.08106	2.5
117.01099	1.6
117.07021	10.5
119.04966	0.9
119.08596	21.6
121.06512	7.7
121.10153	8.9
123.04404	1.0
123.08102	8.4
125.05999	0.9
125.09615	4.4
127.03903	3.6
129.07040	4.9
129.10243	1.3
131.02550	0.9
131.08586	11.0
133.06500	4.1
133.10161	7.4
135.08081	7.3
135.11708	3.0
136.07587	1.3
137.09612	2.1
142.07765	1.7
143.08545	6.0
145.00523	1.0
145.04985	3.9
145.06432	1.0
145.10121	12.4
147.08072	12.7
147.11702	3.0
149.09642	6.9
153.09042	1.2
155.08565	1.1
157.06516	0.9
157.10170	5.6
159.08058	2.5
159.11722	5.8
161.09627	7.7
163.05975	2.8
163.11171	7.2
169.10165	1.3
171.11693	3.5
173.09637	2.2
173.13208	1.1
175.11247	3.8
177.12720	1.0
181.10123	1.7
181.12225	1.1
183.05817	0.9
183.11725	1.1
184.07355	2.0
185.13251	2.4
187.11194	1.8
189.11195	1.4
189.12796	1.9
193.12280	1.2
197.07278	2.0
199.11195	1.5
203.14354	1.3
223.13268	2.3
227.17955	3.1
231.13644	1.2
237.16490	1.5
245.19052	2.3
249.14948	4.8
255.17476	4.0
273.18500	27.0
281.16751	1.1
291.19550	57.8
292.19925	0.9
307.18881	1.2
309.16211	4.7
311.18607	2.7
327.17255	2.9
347.22269	6.1
349.24615	0.9
365.23248	48.5
366.23322	1.1
383.19876	20.7
401.20932	100.0
402.21176	1.6
419.21671	1.0
531.23682	0.9
727.71521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01867	0.5
55.05521	1.6
57.03445	2.5
61.02929	5.4
65.03947	0.6
67.05508	5.6
69.03429	2.5
69.07074	2.0
70.59673	1.0
71.01334	0.4
71.05000	0.6
73.02925	3.2
79.05499	6.3
80.05829	0.3
81.03427	1.9
81.07057	5.3
82.07374	0.3
83.04991	1.0
83.08633	0.9
85.02909	3.4
86.09721	0.5
87.04474	0.6
91.03953	2.6
91.05487	5.2
93.07049	7.6
95.04961	1.9
95.08611	3.0
97.02905	3.5
97.06541	0.7
97.10175	0.4
99.04456	0.8
101.02389	1.8
105.04521	0.4
105.07053	4.1
107.04980	1.1
107.08591	3.0
109.02876	0.6
109.06548	0.8
109.10165	1.0
117.07042	1.3
118.07349	0.3
119.08585	3.2
121.10152	2.0
122.10503	0.4
123.08091	0.7
124.99983	0.3
127.03925	1.5
128.08116	0.2
129.05490	0.4
129.07042	1.0
131.08618	1.6
132.08945	0.4
133.10126	2.5
135.04428	0.3
135.08113	0.3
135.11687	1.5
142.51817	0.3
143.08577	1.0
145.10139	2.0
147.11678	2.7
149.13274	0.9
157.10150	0.5
159.11716	0.4
161.13304	1.0
163.11197	0.9
169.10027	0.3
171.11760	1.2
184.07407	1.3
185.04323	0.6
185.13307	0.5
189.12854	0.4
203.05316	0.4
216.08072	0.3
232.16367	0.3
241.06969	0.4
243.08412	2.8
247.13109	2.0
259.20740	0.7
269.17490	0.6
281.17725	0.4
283.15353	0.5
284.15503	0.4
301.09061	1.1
301.16449	0.5
303.15823	0.5
315.10541	0.5
317.20898	0.6
333.24286	0.4
335.25900	0.5
336.26144	0.6
357.15369	0.4
371.16858	0.5
373.11066	0.5
385.18390	0.4
397.18411	0.5
429.17303	0.3
452.93671	0.3
465.21021	11.2
465.27625	0.6
495.21997	1.0
535.28864	5.8
537.23163	1.6
544.37482	0.9
562.38281	0.7
565.25867	0.4
609.68964	0.3
621.31818	0.4
634.07922	0.3
689.35919	0.4
759.42938	100.0
760.43115	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	758.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05040	0.6
57.07069	0.2
58.06620	0.4
59.07398	0.1
60.08166	6.1
67.05500	0.4
67.05956	0.1
69.31654	0.6
69.32064	0.2
70.06586	0.1
71.07376	3.5
71.08601	0.1
77.58219	0.1
79.05516	0.2
81.07053	0.3
86.09707	29.6
87.10033	0.3
91.05450	0.1
93.07059	0.2
95.08601	0.3
95.10947	0.1
96.46867	0.1
98.98469	2.8
104.10749	1.8
107.08546	0.1
121.10175	0.1
125.00006	20.2
134.57666	0.1
168.14439	0.1
184.07341	100.0
185.07687	0.7
186.07845	0.2
298.19650	0.1
312.55756	0.1
321.13397	0.1
344.16122	0.1
496.33859	0.2
586.45636	0.1
587.47119	0.2
612.02325	0.1
758.56879	3.6
759.57092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01859	5.5
55.05273	2.3
55.05516	32.5
56.12146	1.4
57.03441	23.2
57.07074	3.4
61.02921	3.7
65.03929	4.5
67.05510	63.9
69.03420	5.6
69.06733	1.9
69.07075	21.9
70.43282	3.4
70.43605	1.9
70.60933	1.6
71.05016	8.0
71.05354	1.5
75.04475	1.7
77.03934	1.8
78.71227	1.5
79.05501	67.1
81.02934	1.8
81.03425	60.6
81.07063	72.0
83.04991	20.4
83.08624	25.5
83.53791	1.7
85.02915	28.3
85.06532	4.0
85.21407	1.4
86.09721	8.7
91.05489	86.9
93.07056	67.4
93.07592	1.4
94.07307	1.8
95.04975	34.0
95.08612	38.1
97.02911	3.7
97.06537	11.1
97.10154	9.9
99.06057	1.6
103.05440	1.8
105.07043	80.9
107.04944	10.0
107.08597	41.6
109.06519	7.1
109.10164	16.3
111.04426	3.5
111.08083	10.6
113.09505	1.6
115.05444	3.2
117.07019	20.0
119.04994	2.3
119.08595	71.1
121.06499	5.5
121.10149	29.7
123.08067	7.0
123.11729	5.1
125.00018	6.3
125.06001	2.8
125.09658	7.5
128.06236	4.2
129.07011	25.2
130.07742	1.9
131.08582	29.3
133.06470	4.7
133.10143	54.9
135.08037	1.7
135.11702	16.7
137.09596	4.9
141.07005	2.0
142.07732	3.7
143.08585	11.7
145.10139	21.7
147.08035	4.8
147.11696	46.6
149.09642	11.1
149.13255	11.6
151.11151	2.9
153.07024	1.7
155.08499	3.6
155.74458	1.6
157.10141	25.4
159.11707	17.9
161.09517	2.1
161.13274	22.7
163.11229	8.0
163.14804	3.7
165.12737	3.8
167.08490	1.7
167.10651	1.9
169.10149	3.5
171.11711	12.8
173.13251	10.7
175.11226	17.7
175.14836	12.2
177.12778	3.6
181.10149	2.5
181.12294	5.1
183.11751	3.9
184.07341	31.8
185.13245	12.4
187.14810	5.1
189.11218	3.4
189.12785	2.4
193.12257	46.9
195.11755	2.2
195.13728	2.0
197.13315	3.1
199.14778	6.5
209.13290	3.5
211.13284	60.7
213.16420	4.0
217.15814	2.0
223.14885	1.8
227.12776	6.7
229.14258	2.7
231.17555	2.1
231.21063	6.2
241.19504	26.3
243.21211	2.2
257.19049	3.6
259.20596	61.3
261.22305	2.0
267.15897	26.2
269.17447	10.0
275.20053	5.1
277.21591	3.9
283.15494	5.3
285.16968	74.6
299.23761	3.1
315.23203	7.0
329.88312	1.5
331.22711	2.5
333.24252	61.0
335.25854	3.6
349.23938	3.6
415.30106	2.0
433.30804	7.5
439.26959	5.3
451.31879	7.4
464.56003	1.9
469.33078	4.4
487.34402	1.9
507.34644	2.9
515.37189	4.9
525.27753	2.2
525.35754	34.4
525.43280	1.7
543.36871	100.0
544.37103	1.8
561.37280	5.0
651.38232	2.6
758.45624	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01880	5.8
55.05511	29.2
56.17262	1.2
57.03195	1.3
57.03441	19.1
57.07074	6.3
58.54932	1.2
59.04983	3.1
61.02927	3.5
65.03943	4.1
67.05508	66.9
69.03410	4.8
69.07068	21.9
69.30526	4.1
69.30951	6.7
71.05003	8.2
73.02922	2.3
77.03855	1.6
79.05498	70.7
81.02933	2.0
81.03421	54.8
81.07059	69.6
83.04989	18.5
83.08163	1.5
83.08619	20.9
85.02913	26.1
85.06532	4.7
86.09725	6.0
91.05484	92.6
92.05829	1.8
93.07048	71.7
94.07333	1.4
95.04972	32.2
95.08612	40.3
97.02879	4.7
97.06554	9.8
97.10170	6.7
99.08082	3.4
103.05470	3.5
105.04512	4.2
105.07037	100.0
107.04945	9.5
107.08605	39.5
109.06506	8.2
109.10165	15.5
111.04408	3.3
111.08066	10.8
113.06009	2.8
113.09625	1.5
115.05450	3.7
117.06240	1.9
117.07030	25.9
119.08587	72.8
121.06501	3.9
121.10149	26.9
123.08076	6.5
123.11718	5.9
124.99998	1.9
125.05992	6.2
125.09605	4.3
127.07568	1.3
128.06230	4.1
128.19806	1.3
129.07016	23.7
131.08578	37.2
133.06467	3.7
133.10133	59.0
135.08038	5.1
135.11699	21.7
137.09630	3.5
141.06985	2.8
142.07770	5.1
143.08589	12.1
145.09065	1.9
145.10138	22.7
147.08064	4.4
147.11682	49.1
149.09660	7.0
149.13310	9.9
151.07567	2.1
151.11172	2.6
155.08545	3.8
157.10127	19.1
159.11710	18.3
161.09642	2.9
161.13264	23.2
163.11185	11.2
163.14854	2.9
165.12711	2.0
167.08549	2.1
169.10088	3.3
171.11710	13.0
173.13263	10.8
175.11217	12.1
175.14824	10.5
177.12711	2.5
181.10109	2.6
181.12218	11.6
182.12611	3.7
183.10115	1.5
183.11687	4.5
184.07330	16.9
185.13231	10.3
187.14833	3.8
189.12708	2.6
189.16295	1.3
193.12245	34.1
195.11650	2.1
197.13213	2.8
199.14851	5.6
201.16360	1.5
203.14328	1.5
207.13788	1.4
209.13306	1.8
211.13300	39.4
211.15277	2.1
213.16299	3.4
215.17928	1.9
227.12772	2.5
229.14311	2.4
231.21071	6.4
241.19545	26.4
257.18964	2.6
259.20590	71.8
267.15933	17.9
269.17465	2.8
273.18710	1.7
275.19907	2.8
277.21753	2.6
283.15384	2.5
283.20490	1.5
285.16956	42.1
295.20700	1.2
299.23566	2.1
315.23288	7.7
333.24271	59.3
334.24551	1.9
339.23367	1.5
347.22400	1.9
415.29498	2.2
423.32605	1.6
433.31104	6.4
443.70245	1.4
451.32339	6.3
469.33133	4.0
507.34769	3.2
515.37073	3.3
525.35760	25.2
543.36865	77.0
544.37054	3.3
561.37604	4.8
687.40607	1.9
758.45648	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01870	13.3
55.05273	1.9
55.05513	28.9
57.03443	26.4
57.07061	5.8
57.07309	1.1
57.10056	1.1
59.04992	2.1
60.08161	3.2
61.02948	6.0
65.03928	4.1
67.05509	72.3
69.03411	4.9
69.07072	20.9
69.31427	9.7
71.04990	5.0
71.07393	1.3
73.02913	4.8
73.06577	1.2
75.04478	3.0
78.84612	1.3
79.05497	59.5
81.03424	14.0
81.07060	66.2
82.04191	4.8
83.04984	14.5
83.08223	1.4
83.08633	15.2
85.02907	8.3
85.06531	5.6
86.09709	11.7
90.87607	1.2
91.03976	1.9
91.05485	42.1
93.07050	52.6
94.07803	1.5
95.04976	16.8
95.08612	46.5
97.02921	6.2
97.06535	11.0
97.10170	13.5
98.07319	5.9
98.98461	1.8
99.04474	1.8
99.08103	3.9
99.58636	1.2
101.06027	3.0
105.04494	2.6
105.06407	2.0
105.07037	27.0
107.04948	3.7
107.08603	35.7
109.06521	6.6
109.09483	1.8
109.10168	23.2
109.10857	1.0
111.04507	1.3
111.08077	8.0
111.54443	1.2
113.05973	1.5
115.07587	1.5
116.04723	11.5
117.06990	9.2
119.08585	22.7
121.06478	2.4
121.10149	25.2
123.08049	6.7
123.11705	6.6
124.99986	5.7
125.05936	2.6
125.09624	13.0
127.11135	1.4
129.04521	1.5
129.05486	29.1
129.06985	6.5
131.08556	18.7
133.06537	1.8
133.10144	20.1
135.08081	3.7
135.11685	16.1
137.09595	5.2
139.07494	1.5
142.07767	1.5
143.07057	7.5
143.08536	3.4
145.10121	12.0
147.07973	1.9
147.11697	14.9
149.09607	5.2
149.13275	7.2
151.11182	2.9
157.08595	11.0
157.10115	6.8
159.08000	1.9
159.11642	6.4
161.13286	6.3
163.11179	5.4
163.14812	1.7
165.12796	2.6
169.10143	2.1
171.10121	3.4
171.11592	2.3
173.11966	1.3
173.13237	7.2
175.11195	3.5
175.14822	4.5
181.12219	4.6
184.07350	37.9
184.09015	1.8
185.13226	2.2
187.14764	2.4
189.11166	5.6
189.12683	2.0
189.16298	1.6
193.12221	5.6
199.13242	3.4
199.14897	2.0
200.14134	2.0
201.16454	1.5
203.14360	2.1
211.13306	5.5
227.12703	9.8
229.14363	3.1
243.21065	3.9
255.15919	1.4
259.20575	3.9
261.22101	13.2
267.15802	6.7
277.21628	3.9
279.56168	1.3
283.15213	2.9
285.17004	2.8
287.20334	1.6
292.83154	1.4
301.16483	69.8
315.22977	1.5
317.24631	2.8
333.24100	1.9
335.25809	100.0
336.26239	2.0
413.49469	1.3
453.34103	1.6
489.35416	2.0
527.37177	4.5
543.36530	3.5
544.38190	1.6
545.38440	2.1
561.37891	99.1
562.38000	4.0
758.56873	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01873	12.3
55.05513	22.5
57.03441	15.7
57.07065	4.4
59.04985	2.2
60.08165	1.9
61.02922	6.3
65.03951	5.5
67.05508	100.0
69.03430	8.0
69.07075	28.2
70.11547	5.6
71.05007	8.1
73.02906	2.9
76.33662	1.5
77.03914	2.0
79.05495	77.4
80.05836	2.1
81.03421	16.6
81.07060	97.5
83.04990	25.4
83.08636	17.9
85.02921	11.0
85.06533	10.2
86.09715	10.9
91.03969	2.1
91.05487	58.6
92.05818	1.8
93.07048	90.5
95.01318	3.2
95.04978	21.2
95.08611	46.1
95.73203	1.6
97.02907	5.6
97.06524	18.6
97.10172	3.0
98.98502	2.1
99.04469	4.7
99.08093	4.6
101.02407	2.0
101.87160	1.9
103.05456	2.0
105.04510	2.5
105.07032	40.6
107.04965	34.0
107.08602	52.3
108.05334	1.8
108.08887	1.7
109.06527	7.7
109.10162	24.1
111.04449	25.4
111.08094	13.7
113.05996	2.3
115.05463	2.8
117.07030	28.0
119.08582	35.4
120.22334	1.6
121.06521	6.8
121.10149	53.4
123.04508	1.7
123.08099	5.4
123.11691	8.5
125.00011	7.2
125.06003	4.8
125.09641	2.1
127.03951	2.3
128.06262	2.0
129.05508	3.5
129.07010	7.1
130.07780	3.9
131.04929	4.4
131.08571	25.6
133.10141	27.1
135.08101	7.1
135.11702	47.1
137.09669	2.4
143.08585	6.0
145.06522	6.5
145.10135	46.5
147.08093	5.9
147.11699	17.7
149.09631	15.4
149.13272	14.5
151.11159	1.6
153.06975	1.9
153.12767	15.2
155.08543	9.3
157.10150	4.8
159.11665	13.8
161.09581	2.5
161.13274	6.9
163.11201	51.4
163.14842	2.7
165.12822	2.7
169.10121	1.8
171.11734	3.7
173.09637	26.6
173.13216	9.9
175.14883	5.4
177.12817	2.7
181.12241	25.7
183.11723	3.4
184.07356	39.5
185.13301	2.3
187.14902	2.4
191.10698	24.5
195.12071	1.5
195.13776	7.9
197.13446	2.0
199.14874	1.7
209.11705	12.3
211.14815	2.0
213.14828	1.9
227.12804	18.7
241.19669	4.4
243.21202	6.5
257.19156	2.0
259.20654	11.9
261.22147	17.5
263.31543	1.9
265.14355	45.4
267.15970	3.5
269.17484	31.4
275.20090	5.3
279.23349	2.5
283.15414	90.6
284.15814	2.1
301.16470	90.0
312.32785	1.6
316.19830	2.1
317.24918	4.4
332.18585	2.0
333.24234	8.2
335.25833	66.3
337.27631	2.2
349.23895	2.9
359.47629	1.8
382.63309	1.7
423.32773	2.6
451.31882	3.2
463.30457	12.5
466.21536	2.8
469.33264	5.3
515.37390	11.4
525.35718	14.7
527.37415	7.7
533.26599	1.8
534.27649	3.0
543.36865	52.6
545.38837	3.1
561.37848	55.1
579.39270	2.4
758.41791	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
55.01877	9.4
55.05278	1.3
55.05516	21.3
57.03443	15.9
57.07065	4.4
57.28318	1.1
59.04990	2.0
60.08136	1.8
61.02937	6.9
65.03935	5.5
67.05507	100.0
68.05809	1.6
69.03417	5.2
69.07072	25.6
69.28348	7.9
69.28757	2.3
71.04999	8.9
73.02918	2.6
75.04475	1.3
77.03917	1.2
79.05497	74.8
80.05826	1.7
81.03419	11.5
81.07059	94.1
81.95190	1.0
82.07387	2.2
83.04984	19.1
83.08624	10.4
85.02901	11.0
85.06535	8.2
86.09716	5.4
91.03960	2.5
91.05483	50.2
92.05820	1.4
93.07048	89.6
94.07401	1.2
95.01282	1.8
95.04982	18.2
95.08614	50.3
97.02895	4.7
97.06530	15.8
97.10153	3.2
99.04465	4.4
99.08089	3.2
103.05463	1.3
105.04536	2.2
105.07034	35.1
106.07328	1.8
107.04957	27.5
107.08601	43.1
109.02903	1.9
109.06542	8.1
109.09473	1.8
109.10159	21.3
111.04450	22.6
111.08077	10.8
113.09683	1.6
115.05447	1.4
117.07030	18.7
119.08587	33.5
121.06503	5.8
121.10151	51.2
123.04422	2.1
123.08074	5.0
123.11730	6.6
125.00011	3.9
125.05977	4.9
125.09595	1.7
127.03844	1.2
129.05470	1.7
129.07001	7.3
130.07784	2.6
131.04948	4.4
131.08565	22.2
133.10139	20.2
135.08025	3.7
135.10699	2.6
135.11699	40.1
137.09584	2.1
137.13228	2.4
139.11163	1.5
143.08580	6.7
145.06534	8.2
145.10126	41.1
147.08029	3.3
147.11696	15.9
148.59775	1.4
149.09636	10.9
149.13272	15.3
151.11197	2.2
153.12727	9.9
155.08553	12.4
157.10126	4.3
158.07286	1.7
159.11690	12.6
161.09578	2.5
161.13280	7.9
163.11180	38.9
163.14778	4.2
165.12715	1.9
169.10135	1.5
171.11638	5.5
173.09613	24.1
173.13231	5.8
175.11223	1.5
175.14864	3.2
177.12773	3.2
181.10075	1.1
181.10695	1.7
181.12242	18.7
183.11621	1.9
184.07338	18.1
185.13225	3.3
187.14865	3.0
189.12814	1.5
191.10674	16.9
191.14330	1.3
193.05035	1.3
195.13756	4.2
197.13249	1.2
199.14961	1.4
201.12881	1.5
201.16393	1.5
203.14384	1.5
209.11736	5.0
225.16510	1.5
227.12772	10.9
241.19437	3.8
241.30975	1.2
243.21045	2.7
257.18854	1.2
259.20633	11.3
261.22156	13.2
265.14349	27.7
267.15808	2.8
269.17477	20.3
275.19931	3.9
279.23267	3.1
283.15405	61.9
301.16440	44.6
302.16684	1.3
317.24701	3.0
333.24243	8.1
335.25815	78.0
349.23691	3.2
451.31909	3.5
463.30579	11.9
465.20758	3.1
469.32855	3.5
515.37024	7.8
525.35437	10.5
527.37341	8.3
535.28320	2.1
537.72357	1.2
543.36823	58.4
545.38068	2.2
561.37891	75.4
562.38269	2.6
579.39301	1.6
604.59619	1.2
758.43085	2.6
759.42950	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01867	6.0
55.05512	18.2
57.03157	0.9
57.03433	13.1
57.07053	1.5
59.04993	0.9
61.02922	1.9
65.03930	1.8
67.05506	37.6
69.03419	2.9
69.07073	19.1
69.95350	2.9
71.01346	2.9
71.04979	2.7
79.05492	36.4
79.05830	0.7
79.05965	0.9
81.03419	11.4
81.07056	31.4
83.04977	9.0
83.08625	9.4
85.02907	3.4
85.06541	2.2
86.09689	2.4
91.03957	1.0
91.05478	19.2
93.07045	40.6
95.04973	9.3
95.08604	11.8
96.32523	0.9
97.02886	2.9
97.06532	10.9
97.10166	11.7
99.00828	2.3
99.04441	1.1
99.08090	2.0
103.05455	1.2
105.04508	1.0
105.07030	10.9
107.04961	6.6
107.08591	29.4
109.02905	3.5
109.06532	5.4
109.10163	7.0
111.04422	3.4
111.08084	3.2
115.05409	1.0
117.07016	10.0
119.04898	1.3
119.08575	13.0
121.06532	5.7
121.10150	8.2
123.04432	2.2
123.08090	3.0
124.99954	0.8
125.06036	1.5
125.09649	6.2
129.05478	0.9
129.07016	2.8
131.08563	5.3
133.06454	1.6
133.10121	9.8
135.04411	0.7
135.08054	9.2
135.11690	33.2
137.05984	1.3
137.09616	4.6
139.07562	1.3
143.08600	3.0
145.06473	3.3
145.10117	8.3
147.08072	2.7
147.11676	1.7
149.09602	1.8
151.11188	3.0
153.09154	2.4
153.12755	2.7
155.08553	1.4
157.10153	2.4
159.08081	3.7
159.11748	1.6
161.09636	5.7
163.07544	4.1
163.11185	8.8
169.10161	1.1
171.11633	0.8
173.09656	2.2
173.13300	0.8
175.11267	0.8
177.09201	0.9
179.10699	1.8
181.12225	8.0
182.12753	0.9
184.07301	6.1
187.11282	1.0
189.09169	1.4
189.11166	1.4
189.12756	0.9
191.10695	1.9
193.12233	12.1
197.11749	1.0
199.13315	0.9
203.10600	0.9
211.13251	1.1
219.13785	0.9
223.13234	1.1
227.12663	3.5
233.13875	0.9
243.17551	1.7
249.37657	0.7
255.15901	68.5
261.18527	2.7
269.17593	1.4
271.16956	3.3
273.18478	0.9
275.20267	1.0
283.15424	1.8
289.17969	15.3
291.19550	1.1
307.18909	4.1
351.21832	0.9
363.21564	5.0
381.22708	31.7
425.24915	1.0
435.27335	0.9
463.26593	1.2
470.17926	0.8
481.27805	0.9
525.31976	1.6
543.33069	19.5
561.34216	100.0
562.34760	3.6
596.33984	1.0
758.38556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90599	0.4
53.03942	1.3
55.01881	5.1
55.05270	0.5
55.05513	6.8
56.05028	0.5
57.03441	7.3
60.04523	0.4
60.08156	0.5
61.02660	0.3
61.02930	4.2
65.03941	0.6
67.05507	11.4
69.03436	2.9
69.07068	7.8
69.36683	3.4
70.06596	6.7
71.01350	0.8
71.04973	1.2
72.08155	1.6
73.02927	3.6
74.06051	0.5
79.05499	8.6
79.05965	0.6
81.03417	3.1
81.07059	13.7
83.04985	4.1
83.08641	3.4
84.04494	1.5
84.05755	0.4
84.08164	3.2
85.02907	6.2
85.06562	0.5
86.09708	3.9
87.04488	0.9
91.03951	3.3
91.05477	6.5
93.07047	10.0
95.04966	5.3
95.08607	6.4
96.05742	1.1
97.02898	4.6
97.06547	2.7
97.10181	5.3
98.07312	0.8
99.04470	0.8
101.05990	0.9
103.03972	0.4
103.05493	0.6
104.10759	2.6
105.07033	5.4
107.04979	2.9
107.08609	5.0
109.02855	1.9
109.06519	4.7
109.10162	7.2
110.07207	0.9
111.04460	1.5
111.08086	1.8
115.03931	0.4
116.04716	6.0
117.07019	2.4
119.04952	0.6
119.08581	5.4
120.08119	1.8
121.06496	1.9
121.10144	3.2
122.07242	0.7
123.04408	2.2
123.08061	2.9
123.11698	0.8
123.32462	0.4
125.00009	0.8
125.09637	5.4
127.03918	1.6
127.07575	0.4
127.11083	0.4
129.05482	17.8
129.07008	1.2
129.10254	2.0
131.04990	0.4
131.08549	2.4
133.06487	1.2
133.10141	3.8
135.08057	3.1
135.11714	2.8
136.07559	1.8
136.08774	0.4
137.05957	1.1
137.09627	6.2
138.10429	0.9
139.07542	0.5
143.07056	4.5
143.08548	1.3
145.04988	0.8
145.06461	0.4
145.10112	2.5
147.04462	0.5
147.08037	2.3
147.11707	3.0
149.09621	2.6
149.13214	1.3
151.07613	0.8
151.11163	0.7
153.09109	1.6
155.08533	0.4
155.10704	1.9
155.14494	0.4
157.08621	11.6
157.10014	1.3
159.08075	0.6
159.11705	1.4
161.09619	1.7
161.13263	0.5
163.06041	1.7
163.11185	2.0
165.09137	0.9
165.12779	0.9
167.10712	0.7
171.10178	4.4
171.11636	1.0
173.09605	0.5
173.11794	0.8
173.13219	0.4
175.11147	1.4
177.09140	0.5
177.12787	1.2
184.07358	3.4
185.11766	0.6
185.13329	0.4
189.11223	3.0
189.12730	0.5
191.10780	0.6
193.12228	2.9
195.13748	0.6
200.14064	1.8
219.13904	0.4
221.11769	5.3
223.13298	0.4
226.11961	0.9
227.12741	0.7
229.14322	2.7
239.12785	2.4
245.19160	0.6
255.17639	0.5
261.18472	0.5
263.20016	0.7
267.15967	0.6
269.17462	2.0
273.18494	4.0
275.20175	0.5
282.47879	0.4
283.15704	0.5
289.18079	1.0
291.16611	0.4
291.19409	1.9
295.15607	1.3
308.65399	0.4
313.16415	2.0
347.22278	1.5
349.23883	1.7
364.22211	0.6
365.23233	8.8
367.24796	0.5
381.22623	1.3
383.24265	0.6
399.23785	100.0
400.24234	2.0
431.24149	0.6
509.27319	0.6
525.27948	0.6
561.28955	4.5
562.29175	0.4
604.48297	0.4
736.51630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.00502	0.3
54.23866	0.3
55.01865	1.0
55.05516	1.7
57.03438	1.2
61.02927	2.5
65.03938	0.5
67.05511	5.2
69.03421	1.9
69.07063	2.3
70.24300	0.8
71.01345	0.3
71.04990	0.3
73.02908	2.0
73.36333	0.3
79.05499	5.9
81.03428	2.2
81.07060	5.6
83.04992	1.6
83.08614	0.9
85.02912	2.5
85.06553	0.4
91.03931	1.6
91.05487	4.8
93.07047	5.0
95.04987	2.2
95.08618	3.5
97.02898	2.6
97.06544	1.1
99.04449	0.7
99.08047	0.3
101.02403	1.0
103.03980	0.4
105.04512	0.4
105.07037	5.1
107.04944	1.4
107.08592	2.2
109.02879	0.6
109.06525	0.8
109.10169	1.2
111.04488	0.3
111.08080	0.5
117.07024	1.4
119.08591	3.7
121.06514	0.5
121.10135	1.5
123.08051	0.8
123.11681	0.3
125.06025	0.6
125.09599	0.4
127.03938	0.8
129.07013	1.5
131.08569	1.5
133.10114	2.9
135.08080	0.3
135.11703	0.9
137.09671	0.5
143.08586	1.3
145.10121	1.6
147.11705	2.3
149.09660	0.8
149.13319	0.5
151.11183	0.3
155.08667	0.4
157.10173	0.4
159.11719	0.9
161.13245	0.8
163.11249	1.0
169.10147	0.4
171.11685	1.4
173.13272	0.3
177.12807	0.4
179.14316	0.9
181.12256	1.1
184.07368	0.6
185.04173	0.5
189.12764	0.5
191.10471	0.3
207.13971	0.4
227.12802	0.5
238.09108	0.3
243.08472	2.5
247.13208	0.8
249.01527	0.3
265.14359	0.6
267.67377	0.3
275.20166	0.6
281.17661	0.4
301.16541	0.7
315.19308	4.0
335.25809	0.5
349.23828	0.4
371.22073	0.9
379.13773	0.3
465.20950	8.5
533.27209	5.8
543.37128	0.4
561.38062	0.4
595.35199	0.4
757.41321	100.0
758.41608	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	757.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01873	1.3
55.05511	2.6
56.42252	0.5
57.03428	1.3
57.07074	0.7
61.02942	3.3
63.69724	0.5
67.05507	6.2
69.03426	2.0
69.07085	2.5
71.01363	0.6
71.05006	1.0
71.51972	0.7
73.02931	2.6
75.02277	0.5
79.05496	6.1
81.03422	2.9
81.07057	6.2
83.04988	1.7
83.08611	1.1
83.89308	0.5
85.02923	3.7
86.09697	1.2
91.03962	2.3
91.05486	7.3
93.07054	7.3
95.04942	2.7
95.08585	4.1
97.02891	2.8
97.06528	1.6
97.10223	0.7
99.04436	0.9
101.02384	0.9
105.07037	5.3
107.04983	1.5
107.08612	2.9
109.06520	1.0
109.10168	2.0
117.07032	1.6
119.08596	4.2
121.06509	0.6
121.10164	2.0
123.08067	1.1
123.11763	0.6
125.00035	0.9
125.05983	1.3
127.03924	1.4
129.07045	1.4
131.08588	1.8
133.10143	2.7
135.08046	0.9
135.11700	1.2
137.09642	1.0
143.08591	1.1
145.10133	2.2
147.08012	0.7
147.11655	2.9
149.09663	1.2
159.11690	1.2
161.13257	0.9
163.11232	2.4
165.07091	0.6
165.09190	0.9
169.40007	0.5
171.11688	1.6
181.12259	2.0
183.11838	0.6
184.07372	4.5
185.04344	0.6
189.12823	0.8
196.51183	0.6
203.05275	0.7
207.13823	0.7
218.38068	0.7
243.08434	1.9
247.13187	1.4
275.20184	1.2
282.73584	0.6
307.44391	0.5
313.59235	0.5
315.19394	4.4
371.22046	1.5
372.18417	0.6
385.09140	0.7
465.20972	10.4
533.27289	7.8
534.27515	0.7
551.23279	0.6
694.92218	0.6
757.41327	100.0
758.41943	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	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.1
53.03939	3.1
54.00048	0.7
55.01868	4.0
55.05514	20.9
56.78357	0.8
57.03441	13.4
57.07070	1.1
59.04988	2.8
61.02922	4.0
61.89360	0.7
65.03933	1.7
67.05506	47.2
69.03432	3.9
69.07076	10.7
71.04986	2.7
73.02920	1.3
79.05493	32.6
81.03434	5.5
81.07058	56.1
83.04984	5.1
83.08621	14.0
85.02902	3.9
85.06517	3.1
86.09700	2.0
87.04452	1.1
87.31544	0.7
89.27668	0.8
91.03929	1.5
91.04903	1.1
91.05482	31.4
93.07046	40.0
95.04981	5.9
95.08607	33.5
97.02888	5.9
97.06525	4.7
97.07068	0.8
97.10135	2.3
98.21504	2.1
99.00818	15.1
99.04398	1.2
99.08049	1.2
103.05479	1.3
105.04512	1.2
105.07031	23.7
107.04945	5.8
107.08598	20.8
109.02883	16.4
109.06527	5.4
109.10154	16.4
111.04480	1.2
111.08089	5.1
115.03912	2.6
117.07026	8.7
119.08578	16.1
121.02876	1.3
121.06516	7.6
121.10147	14.1
123.04426	1.7
123.08093	2.3
123.11721	5.4
123.76982	0.8
124.99983	1.4
125.05986	1.4
125.09608	1.7
127.03907	2.3
128.06187	1.7
129.07001	1.7
131.08566	7.2
133.06511	1.9
133.10135	38.1
135.08070	1.4
135.11690	11.6
137.06000	1.3
137.09615	1.9
137.13216	1.5
139.07545	2.9
143.08562	5.3
145.06487	0.9
145.10121	6.2
147.07991	2.1
147.11656	3.8
149.13284	6.7
151.11194	10.2
153.07011	0.9
155.08620	0.9
159.11684	5.4
161.09608	17.2
161.13277	4.1
163.11238	2.0
163.14815	3.4
165.09021	0.9
171.08038	5.1
171.11758	0.9
173.13284	4.1
175.14810	1.0
177.16324	1.4
179.10669	8.7
181.12292	2.2
184.07303	7.9
187.14804	2.2
189.09125	9.1
189.10869	1.3
197.11696	3.3
207.10187	4.7
225.11208	15.2
227.12643	1.0
243.12314	2.1
243.21118	5.2
261.22153	18.3
264.07516	0.7
277.21616	2.3
279.23303	1.0
281.13824	7.6
299.14899	88.0
300.15326	1.5
315.23242	3.1
317.24524	4.6
333.24142	1.1
335.25800	100.0
336.26266	1.7
449.30396	1.5
467.31497	5.0
485.32651	2.4
513.35681	3.6
515.37030	1.3
531.36603	2.7
541.35333	11.2
559.36316	51.9
560.36279	1.8
577.37415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73735	0.6
53.00292	2.7
53.03942	3.8
55.01868	3.8
55.05514	19.7
57.03195	0.9
57.03438	10.5
57.07058	3.1
59.04979	3.1
60.08125	0.8
61.02922	3.4
65.03926	1.9
66.02554	0.6
67.05505	44.2
69.03423	2.6
69.06733	0.9
69.07073	11.6
71.01347	1.6
71.04981	2.3
71.08627	1.0
73.02907	1.6
73.31330	0.6
75.04468	0.7
77.03925	0.7
79.05492	32.4
81.03417	4.4
81.07056	43.3
83.04977	4.1
83.08614	12.0
85.02892	3.5
85.06546	3.2
86.09709	3.8
91.03959	1.4
91.04900	1.4
91.05479	28.7
93.07043	41.1
95.04969	6.5
95.08612	31.8
97.02885	5.6
97.06531	3.3
97.10145	2.1
98.20686	0.9
99.00820	14.6
99.04433	0.9
99.08051	1.2
103.05470	2.0
105.04526	1.0
105.07037	23.2
107.04950	6.7
107.08596	19.0
109.02881	12.7
109.06515	4.8
109.10156	17.4
111.04432	1.6
111.08088	4.2
113.06026	0.7
115.03907	1.6
117.07013	6.7
119.08582	15.8
121.06488	6.3
121.10152	15.1
123.04424	2.3
123.08054	2.1
123.11707	5.5
124.99980	1.6
125.06020	0.9
125.09602	1.3
127.03888	1.9
128.06235	1.8
129.07024	1.8
131.08578	8.0
133.06517	1.5
133.10129	34.1
135.07996	1.1
135.11684	10.3
137.05927	1.6
137.09596	1.6
137.13264	1.9
139.07526	2.7
143.08556	5.8
145.06490	1.0
145.10117	5.9
147.04388	0.7
147.08046	1.7
147.11678	5.4
149.09578	1.0
149.13260	6.0
151.11182	10.1
153.06982	0.8
159.11703	4.6
161.09621	20.0
161.13286	3.4
163.11198	2.1
163.14832	2.9
171.08054	3.8
171.11784	1.0
173.13231	3.4
175.14880	1.0
177.16469	0.9
179.10706	7.0
181.12253	1.2
184.07367	11.4
187.14832	2.2
189.09122	9.2
197.11708	2.3
207.10184	2.2
225.11200	13.5
227.12767	1.6
243.12276	2.5
243.21057	5.2
259.20547	1.7
261.22141	18.9
277.21741	0.7
279.22897	0.8
281.13812	5.7
297.15808	0.7
299.14890	87.2
300.15186	1.4
315.23270	2.9
317.24661	3.0
329.22549	0.7
335.25793	100.0
336.26257	2.7
423.32422	1.1
449.30457	1.7
457.33313	1.0
467.31818	4.6
485.32745	3.1
513.35583	2.6
515.37244	0.9
531.36694	2.6
538.71405	0.8
541.35248	10.8
559.36298	53.5
560.36798	1.8
577.37628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93213	1.1
53.03943	9.9
55.01864	3.4
55.05512	21.5
57.03440	11.9
57.07070	4.5
61.02916	1.2
63.71371	1.1
64.56465	1.1
65.03945	4.2
67.05506	66.6
68.28769	1.1
68.84115	1.2
69.03436	1.8
69.07070	18.1
69.21356	1.3
71.04993	5.8
77.03893	1.3
79.05495	88.1
81.03416	8.4
81.07059	68.9
83.04980	12.8
83.08617	9.4
85.02888	1.7
85.06559	6.0
86.09709	1.6
91.05483	96.5
93.07047	91.7
95.04971	16.6
95.08607	51.1
96.37139	1.4
97.02905	1.7
97.06523	5.2
97.10164	4.1
98.21634	2.0
99.08121	2.9
103.05463	4.6
105.04558	3.2
105.07034	88.9
106.07383	1.3
107.04980	7.5
107.08599	34.5
109.06516	8.6
109.10165	13.2
111.08086	3.1
115.05458	3.9
117.07017	24.9
119.08584	65.3
120.08861	1.2
121.06527	4.0
121.10155	23.3
123.08083	7.2
123.11687	2.5
125.09636	2.3
128.06250	4.1
129.07007	27.0
130.07787	1.3
131.08577	31.3
133.06512	1.3
133.10135	52.8
135.08073	2.3
135.11693	16.0
137.09613	1.9
141.07016	3.0
143.08565	20.0
145.06445	1.9
145.10123	30.9
147.08038	2.9
147.11690	66.5
148.11995	1.3
149.09634	3.2
149.13248	11.0
151.11229	2.5
155.08551	3.7
156.09323	1.9
157.10130	13.6
159.11707	21.2
161.09631	4.5
161.13263	37.7
163.11235	4.5
163.14786	3.2
167.08533	1.6
169.10143	5.8
171.11684	35.6
173.13274	14.5
175.14839	16.4
177.12758	3.4
179.14304	2.0
183.11713	4.2
184.07356	2.1
185.13237	10.0
187.11179	3.0
187.14854	2.6
189.12791	11.5
189.16414	1.3
195.11765	2.3
197.13239	1.6
199.14816	4.8
201.16408	1.4
203.14267	1.5
205.12248	1.4
207.13812	23.2
209.13419	1.6
209.15453	1.3
211.14914	2.2
213.16397	3.8
215.17978	1.6
229.45685	1.3
231.17537	2.0
231.21056	5.8
239.17827	1.5
241.14322	1.2
241.19513	34.9
243.21107	2.5
247.17059	1.2
257.19031	5.4
259.20584	77.3
261.22137	3.4
277.21701	1.5
279.15927	24.3
281.17477	95.3
283.18939	1.6
287.20203	1.4
296.44009	1.2
297.17041	4.2
315.23206	6.8
325.21347	1.5
331.22821	2.1
333.24237	40.2
339.23242	1.6
429.31583	2.7
437.34036	1.9
447.32758	9.8
465.33527	10.1
483.34692	6.8
521.36182	3.6
525.74817	1.4
529.39258	2.8
539.37335	100.0
540.37543	4.0
557.38409	45.8
592.40222	1.2
750.16058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.0
55.01864	4.0
55.05512	25.6
57.03441	11.3
57.07076	3.1
64.67203	1.4
65.03941	3.9
66.41578	1.5
67.05509	68.6
69.03421	2.6
69.07072	19.5
71.04979	4.1
73.06561	1.8
77.03930	2.2
79.05499	100.0
81.03410	9.5
81.07061	66.6
83.04979	14.8
83.08601	7.0
85.06544	4.8
91.04905	3.8
91.05486	90.3
93.07050	93.6
95.04980	21.5
95.08614	39.0
97.06523	6.2
97.10164	4.8
98.20782	5.2
99.08084	2.7
101.53022	1.5
103.05482	3.4
105.04505	4.1
105.07036	86.6
107.04983	9.8
107.08601	38.2
109.06520	5.7
109.10189	8.7
111.08091	4.0
115.05423	2.7
117.07025	24.2
119.06046	1.6
119.08589	72.8
121.06523	3.9
121.10149	18.7
123.08064	7.6
123.11707	2.6
125.09599	1.9
128.06223	3.4
129.07005	25.5
131.08586	24.1
133.10136	40.6
135.08054	3.6
135.10767	2.5
135.11685	14.2
137.09619	2.3
139.98364	1.5
141.07016	3.2
143.08571	17.6
145.10135	28.7
146.05078	1.7
147.08069	4.4
147.11694	74.4
149.09647	2.6
149.13255	10.6
151.11177	2.1
155.08534	2.2
157.10132	11.5
159.08066	1.8
159.11673	18.0
161.09644	3.6
161.13269	39.7
163.11243	2.4
163.14873	4.5
169.10132	3.4
171.11693	33.5
173.13284	11.4
174.99431	1.5
175.11333	1.6
175.14774	15.4
183.11699	4.5
185.13243	10.6
187.11267	2.7
187.14764	2.9
189.12753	11.6
199.14844	7.2
203.14323	2.4
207.13785	23.1
213.16478	3.1
223.13242	1.8
231.21109	6.1
241.19528	25.3
257.19141	3.1
259.20593	68.3
261.22141	1.8
272.24652	1.7
279.15924	20.0
281.17487	74.4
295.20560	1.8
297.16837	1.8
313.21503	2.1
315.23206	8.8
331.22751	1.9
333.24258	49.2
429.31635	1.7
447.32590	9.6
465.33655	5.6
483.34634	4.9
521.36029	4.7
529.38538	2.6
539.37372	88.3
540.37646	3.5
557.38354	30.0
738.89313	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	752.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01874	9.0
55.05510	8.1
57.03434	2.1
59.04999	0.7
61.49291	0.5
65.03941	1.1
67.05506	21.6
69.03442	1.3
69.07073	12.0
69.81316	2.1
71.04977	1.1
73.06575	0.6
74.19655	0.5
74.90816	0.6
77.03925	0.7
79.05018	0.7
79.05495	24.3
81.03416	4.2
81.07059	25.3
82.07381	0.5
83.04986	5.1
83.08630	4.0
85.06554	0.9
91.05482	29.5
93.07045	25.8
95.01337	3.2
95.04972	7.6
95.08607	14.4
95.09178	1.0
97.02886	0.8
97.06534	19.8
97.10182	1.9
99.08079	1.0
103.05478	0.7
105.04558	1.0
105.07034	32.4
105.24986	0.5
107.04959	8.0
107.08595	9.2
109.06515	2.9
109.10163	3.7
111.08129	0.6
112.58758	0.5
113.09684	0.5
117.07018	6.5
119.08582	19.1
121.06516	2.0
121.10131	4.2
123.04433	0.9
123.08058	2.5
123.11684	0.8
125.09576	0.6
128.06239	0.9
129.07008	4.0
131.08563	7.3
133.06496	0.9
133.10126	16.1
135.08092	2.3
135.11694	2.8
137.09636	1.0
139.07530	1.1
143.08583	3.2
145.06523	1.1
145.10118	8.1
147.11678	13.1
147.12791	0.8
149.09578	3.7
149.13301	1.3
151.11250	0.9
155.08635	1.1
157.10146	1.0
159.11725	4.0
161.09628	1.6
161.13226	3.3
163.11163	2.8
165.09125	0.7
169.10176	1.1
171.11679	6.1
173.13264	1.6
175.11154	0.7
177.12813	0.8
179.14331	6.1
183.11752	1.1
184.07407	1.0
187.11240	1.5
189.12808	2.2
197.13338	0.7
205.12384	0.7
207.13785	4.4
247.20540	1.1
257.19043	2.7
259.20602	1.6
263.16467	1.2
275.20068	36.5
276.20441	0.7
279.15842	3.0
281.17487	26.6
287.02100	0.6
293.21078	2.5
342.28946	0.6
349.23721	14.7
384.67972	0.6
391.26550	0.6
459.31064	0.7
537.35822	1.7
555.36829	100.0
556.36633	3.3
573.37695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.01876	13.1
55.05511	8.9
57.03444	3.6
57.07059	0.4
61.16291	0.4
62.64848	0.4
65.03941	1.6
67.05510	22.2
69.03420	1.1
69.07071	13.8
69.20946	0.6
69.21342	3.2
71.04990	1.7
73.06547	0.6
79.05498	25.8
81.03421	5.5
81.07059	28.0
82.52773	0.4
83.04991	6.1
83.08618	4.0
85.06527	1.2
86.09715	0.5
91.05486	28.9
92.05814	0.4
93.07049	23.7
95.01327	3.8
95.04971	7.9
95.08607	15.0
97.02908	0.4
97.06535	23.6
97.10147	2.1
98.21522	0.9
99.08086	0.6
103.05464	1.0
104.57722	0.4
105.04521	1.1
105.07037	37.9
106.07363	0.4
107.04425	0.2
107.04961	8.8
107.08594	9.5
109.06532	2.8
109.10154	4.1
111.08089	1.5
113.09676	0.4
113.11256	0.4
115.05461	1.0
117.07017	8.2
119.04941	0.4
119.08588	19.9
121.06490	2.6
121.10146	4.3
123.04445	0.9
123.08076	3.2
123.11725	0.9
125.09636	1.1
128.06247	1.2
129.07028	4.3
131.08586	9.7
133.06557	0.5
133.10136	19.1
134.10490	0.5
135.08078	2.1
135.11696	3.3
137.09625	1.7
139.07529	1.2
141.06993	1.0
143.08574	3.4
145.06499	1.0
145.10129	8.2
147.08072	1.7
147.11697	13.4
149.09618	5.9
149.13261	1.4
151.11142	0.8
155.08601	1.0
157.10155	1.8
159.11687	5.6
161.09662	1.2
161.13263	4.5
163.11165	4.1
165.09161	0.6
169.10178	1.6
169.93710	0.4
171.11700	6.1
173.13283	2.4
175.11229	0.6
177.12766	1.3
179.14359	5.0
183.11737	1.1
184.07364	1.2
185.13298	0.4
187.11211	1.6
187.12849	0.3
187.14801	0.9
189.12807	2.2
195.13837	0.5
197.13208	0.7
201.12871	0.6
205.12221	0.5
207.13788	4.6
213.16393	0.4
215.14221	0.4
219.17421	1.9
223.13397	0.5
229.19548	0.7
239.17952	0.7
247.20642	1.4
250.11072	0.4
251.51239	0.4
257.19083	2.2
259.20663	1.1
263.16516	1.3
275.20068	40.4
276.20517	0.8
279.15897	3.0
281.17474	32.5
282.17883	0.6
293.21036	2.5
331.22946	0.6
349.23734	16.1
350.24005	0.4
377.23413	1.0
459.31223	0.7
459.77374	0.4
480.28070	0.4
481.33145	0.5
537.35486	2.3
555.36847	100.0
556.37085	3.5
573.38000	3.0
713.08606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.8
55.01641	1.1
55.01880	15.6
55.05518	38.5
57.03443	13.0
61.02924	1.6
65.03939	5.0
67.05512	63.6
69.03436	18.3
69.06734	1.7
69.07077	25.1
69.80182	6.9
70.06586	2.3
71.05013	6.0
73.02917	2.2
75.93647	1.2
77.03915	1.3
79.05500	79.9
81.03423	36.2
81.07063	100.0
83.04494	1.5
83.04987	22.9
83.08627	20.0
85.02912	14.7
85.06533	5.3
86.09712	4.8
91.05492	75.0
93.03369	1.6
93.07051	59.6
95.01357	1.4
95.04984	28.7
95.08616	30.3
97.02872	9.3
97.06558	12.6
97.10168	21.1
98.20853	2.4
99.04485	6.2
99.08091	3.1
103.05451	4.4
105.04486	2.8
105.07042	52.3
107.04964	23.2
107.08605	32.5
109.02882	8.1
109.06532	21.3
109.10165	17.4
111.04447	15.1
111.08083	10.7
115.05452	5.4
116.06194	1.9
117.06233	2.4
117.07025	32.1
118.96306	1.3
119.04940	2.3
119.08586	41.0
120.08128	1.4
121.06515	12.8
121.10155	15.8
123.04436	3.9
123.08091	22.6
123.11655	1.9
124.23441	1.4
125.06045	1.3
125.09645	16.4
127.03931	9.0
127.07516	1.9
128.06230	8.3
129.05476	2.9
129.07008	23.3
130.07806	2.9
131.04916	3.2
131.08580	26.2
133.06543	8.6
133.10164	14.8
135.08069	12.7
135.11694	11.9
137.09634	6.4
139.11139	1.9
141.06972	7.0
141.09021	1.7
142.07770	3.8
143.08575	18.2
145.06493	6.8
145.10139	24.0
146.07198	1.4
147.08081	14.6
147.11703	24.0
149.09636	10.1
149.13242	2.7
151.11214	3.0
153.09082	2.5
153.12750	5.4
155.08563	4.8
156.09398	1.8
157.06500	4.7
157.10124	8.9
158.07286	1.4
159.08087	6.1
159.11722	7.8
161.06018	1.4
161.09622	16.4
161.13298	8.0
163.07526	1.7
163.11177	17.5
165.07014	1.6
165.09096	5.5
166.07816	1.6
167.08589	3.1
169.10104	4.6
171.08049	4.1
171.10252	2.7
171.11688	20.5
173.04456	4.9
173.09676	7.8
173.13268	3.5
175.11194	6.8
177.09041	2.1
177.12747	3.1
179.10596	1.3
181.10132	3.4
181.12216	4.6
183.11742	3.2
184.07387	1.9
185.09639	3.7
185.13284	4.7
187.11176	4.3
189.09489	1.6
189.11200	13.5
189.12781	9.1
191.10709	5.7
193.12282	2.5
195.11620	1.6
197.09621	1.8
197.13222	2.6
199.11302	2.5
199.14827	2.3
201.12813	2.0
205.12224	2.2
207.13800	16.3
209.11707	3.0
213.12819	1.7
215.14348	1.8
217.15967	1.8
219.13782	1.5
220.56427	1.3
223.13173	6.9
223.15120	2.0
227.12724	18.9
227.14551	1.7
227.17946	2.0
237.16367	2.0
241.15993	2.3
245.19072	4.3
249.14825	2.3
251.14374	2.7
255.17465	5.2
259.16888	3.7
260.65314	1.3
263.16602	1.9
263.19885	1.7
265.14368	1.5
269.15417	6.8
271.16934	1.5
273.18530	42.3
275.20248	3.0
279.15967	2.6
281.17505	36.5
283.15326	2.9
287.16473	9.8
291.19571	56.0
292.19778	1.7
295.18979	1.6
299.14951	1.4
299.19910	1.4
305.17404	2.1
309.20618	4.7
310.08817	1.2
343.19080	3.1
347.22299	11.5
351.17929	1.5
361.20313	2.5
365.23254	18.0
379.21158	1.8
383.24359	6.1
399.21622	1.7
425.21692	6.9
445.29126	2.6
451.26944	3.1
489.28448	1.4
553.35309	10.8
571.36365	29.4
581.04309	1.6
589.37732	9.7
633.38629	2.9
651.38672	2.0
669.39410	2.9
697.39423	2.4
715.40356	2.5
733.40540	3.6
751.42950	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.8
54.12288	1.9
55.01878	17.2
55.05514	33.7
57.03442	16.0
57.07073	10.4
59.67116	2.4
61.94852	2.1
65.03934	6.5
67.05510	81.9
68.06281	3.8
69.03427	3.7
69.07071	27.5
69.74501	2.2
71.04981	4.5
71.08621	2.4
71.52299	2.4
79.05497	78.4
80.06263	6.0
81.03426	24.7
81.07060	64.0
82.04202	2.7
83.04963	11.7
83.08640	12.9
84.05742	2.8
85.06534	5.4
86.09705	3.3
87.04472	8.3
89.48335	2.3
91.05485	100.0
92.06263	4.7
93.06488	4.0
93.07050	71.3
94.07787	6.3
95.01324	3.4
95.04979	49.0
95.08615	54.1
96.05753	8.1
97.06535	22.7
97.10171	4.4
98.07335	4.7
99.08065	2.7
103.05429	3.2
104.06219	2.2
105.04516	3.7
105.07037	91.5
106.07817	4.7
107.04310	3.1
107.04967	41.5
107.08598	35.2
108.05743	5.0
108.09395	3.9
109.06494	18.9
109.10168	19.9
110.07298	22.7
110.63322	2.0
111.08064	4.7
113.05946	2.3
115.05447	9.7
116.04700	4.4
116.06213	4.2
117.06230	4.2
117.07021	60.9
118.07806	7.5
119.04913	5.9
119.08585	78.3
120.09351	5.6
121.06504	14.9
121.10159	25.0
122.07306	5.4
123.08084	23.0
123.11730	4.7
124.08894	2.8
125.09572	2.4
128.06201	9.2
129.05524	12.8
129.07007	32.5
130.07790	5.2
131.04895	2.7
131.08568	79.6
132.09340	7.4
133.06483	24.5
133.10133	51.7
134.10889	5.8
135.08044	16.0
135.11687	19.9
136.08846	5.0
137.09569	6.1
141.06979	13.4
142.07744	7.7
143.08578	36.0
144.09294	5.8
145.06496	12.3
145.10127	61.2
146.07201	2.8
146.10915	26.4
147.08057	34.7
147.11699	35.2
148.08817	4.5
148.12428	3.5
149.09628	24.2
149.13235	7.6
150.10385	2.3
154.07788	3.3
155.08563	21.0
157.06476	4.4
157.10141	36.8
158.10905	2.4
159.08029	9.0
159.11699	46.3
160.12428	5.7
161.09671	13.5
161.13223	18.0
162.10376	4.2
163.07501	2.4
163.11205	18.9
163.14859	3.4
165.06947	3.6
165.12741	3.2
167.08563	7.1
168.09218	3.4
169.10123	23.8
171.08058	5.1
171.10309	3.4
171.11697	29.6
172.12434	3.9
173.09653	4.0
173.13260	26.5
174.14061	2.4
175.11259	11.1
175.14868	11.5
177.12773	6.6
178.13507	2.4
178.57413	2.6
179.08511	5.5
179.14209	3.8
181.10103	14.6
182.10939	2.3
183.11710	20.3
184.07372	5.5
184.12486	3.8
185.09689	4.1
185.11722	3.0
185.13202	20.5
186.14061	3.8
187.11195	7.3
187.14804	11.4
188.15553	2.8
189.12769	4.8
193.10098	7.7
194.96623	3.1
195.11742	14.9
197.13239	15.7
199.11217	3.5
199.14804	9.8
201.12689	5.4
201.16426	5.4
203.14218	2.9
205.10213	2.5
207.11816	4.9
209.13245	8.9
211.14766	10.0
213.12796	5.6
213.16347	7.2
215.14417	3.2
215.17989	6.5
217.15863	5.2
219.13805	2.8
221.13322	4.5
222.96257	3.5
223.14825	6.9
225.12668	4.1
225.16373	7.0
227.14206	4.6
227.17958	3.8
229.19452	6.3
231.17403	4.0
233.13278	2.5
235.14838	5.4
237.16335	2.9
239.16139	3.4
239.18217	4.0
241.19507	10.3
245.15298	5.0
246.19817	5.2
249.16328	3.4
251.17847	3.2
253.15799	3.8
255.17485	5.3
257.19037	12.6
258.19910	4.6
259.20511	15.7
260.54645	2.5
273.18500	11.5
274.19260	31.5
275.20065	17.2
279.15695	15.9
279.20779	3.6
285.22083	2.6
291.19275	2.4
313.21426	4.3
314.22446	2.6
315.23114	5.4
327.26788	5.9
331.22598	4.8
333.24237	30.6
347.22122	5.3
348.22931	7.4
349.23605	8.6
421.31012	3.0
435.32266	4.5
475.13547	4.6
509.36139	3.3
512.34869	4.8
513.36182	12.0
514.36548	4.7
527.37488	11.3
528.37927	5.3
531.37952	6.3
549.39026	3.5
555.36444	3.9
567.40070	2.7
581.38257	4.6
596.43951	6.1
605.42242	26.5
606.42767	25.4
623.43036	43.8
623.59186	3.0
624.43909	67.0
733.33350	5.1
751.33649	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	748.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50075	0.3
54.74031	0.3
56.05029	0.8
58.06608	0.6
58.17727	0.3
59.52779	0.3
60.07881	0.4
60.08167	5.7
61.99283	0.3
67.05489	0.8
71.07374	3.8
72.08101	0.3
75.02554	0.3
79.05453	0.3
80.36584	0.3
81.07059	0.5
83.94061	0.3
86.09711	29.6
90.41869	0.3
95.08633	0.3
98.20631	0.5
98.98467	2.8
104.10749	2.0
105.07032	0.5
111.04433	0.5
125.00013	20.5
137.05956	0.4
184.07347	100.0
185.07716	0.8
568.40784	0.4
589.45300	0.9
672.65997	0.4
716.48621	12.6
755.94946	0.4
763.14429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.5
55.01870	3.1
55.05272	1.6
55.05513	20.9
56.05030	1.2
56.49335	1.0
57.03441	12.3
57.07076	2.4
58.50268	0.9
59.04993	3.9
59.51999	1.0
62.69167	0.9
65.03941	4.2
67.05508	100.0
69.03435	15.4
69.07072	11.4
69.27460	9.1
69.71543	1.1
70.06582	1.0
71.01350	1.4
71.04999	10.2
72.42802	1.0
73.02894	1.5
77.03918	1.1
79.05499	37.2
81.03423	22.5
81.07059	38.1
83.04975	12.2
83.08617	12.1
85.02906	4.8
85.06540	4.1
91.05489	44.7
93.07048	40.8
95.04980	8.5
95.08612	24.8
97.02911	9.2
97.06531	3.9
97.10166	10.6
99.04459	3.2
99.08067	1.7
100.00092	1.2
103.05462	1.9
105.07034	38.2
107.04988	5.8
107.08602	23.2
109.02885	4.6
109.06525	3.6
109.10164	69.3
110.10500	1.5
111.04467	4.3
111.08067	3.3
115.05445	2.4
117.07016	15.4
119.08589	35.3
121.06536	2.7
121.10149	16.1
123.08068	2.5
123.11710	2.0
125.09641	7.9
127.03897	6.9
128.06245	3.5
129.05496	3.1
129.06993	10.9
131.05037	1.2
131.08572	21.8
133.06520	2.5
133.10133	25.5
133.11105	1.9
135.08060	5.6
135.11694	7.0
137.09631	3.1
141.06999	3.1
142.07770	3.6
143.08575	9.9
145.06458	2.3
145.10139	17.1
147.08061	1.8
147.11688	15.6
149.09630	3.6
149.13315	4.9
151.07503	1.4
152.39484	1.1
153.09241	1.6
154.12344	1.9
155.08600	5.0
155.10646	6.1
157.06525	1.2
157.10115	10.6
159.07968	1.4
159.11705	14.2
161.09636	1.7
161.13269	9.4
163.11179	2.9
165.07053	1.6
167.08580	2.8
168.09317	1.1
169.10146	5.9
171.10271	2.0
171.11659	10.8
173.09544	2.1
173.11743	14.2
173.13292	7.6
175.11215	1.8
175.14847	3.0
177.12706	1.1
179.08537	1.9
181.10115	3.7
183.08159	1.5
183.10283	1.2
183.11668	6.3
184.07408	2.2
185.09715	2.1
185.13237	6.6
187.11143	2.6
187.14867	3.0
189.11232	6.7
189.12733	1.6
195.11694	4.9
197.13303	4.9
199.11203	2.2
199.14845	4.4
209.09814	1.8
209.13268	3.3
211.11197	1.3
211.14911	2.6
213.12723	1.5
213.16449	1.4
221.13289	1.8
223.14832	2.5
225.12823	1.2
227.12691	10.2
229.14342	32.5
231.21068	2.4
239.14270	1.5
241.19582	8.2
245.13870	8.0
255.13695	1.3
257.19031	1.8
259.20581	24.1
261.22278	3.5
269.18915	1.2
271.20648	2.6
273.18457	1.4
275.20053	2.0
283.20581	1.8
289.21817	1.2
299.14966	3.2
299.19910	1.3
301.21765	2.2
313.21774	2.1
315.23245	2.8
317.21341	1.2
321.22147	1.2
325.21600	2.0
333.24380	23.8
335.25803	1.8
337.21451	2.2
339.23169	2.3
349.21262	6.8
351.23190	3.3
367.22736	8.1
369.24213	4.1
371.17035	2.3
373.18597	11.9
375.25180	1.1
385.23831	4.5
395.29236	3.4
403.24991	2.1
423.25269	1.5
441.26337	3.0
443.28452	1.2
459.27408	2.4
463.27014	1.4
469.32901	3.3
477.28122	1.5
487.34222	37.7
503.33691	1.3
504.36826	1.3
505.28098	1.6
505.35239	10.5
517.34900	2.0
529.35236	2.9
541.34979	1.6
553.35620	1.6
557.35358	1.4
571.36432	2.5
583.35962	3.4
595.36340	15.2
601.36475	1.1
613.37372	23.1
631.38397	33.6
632.38397	1.3
649.39331	20.9
666.41187	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	748.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01855	3.2
55.05506	3.7
57.06843	0.8
57.07082	11.5
59.04983	0.8
67.05505	8.5
69.07072	5.7
69.43092	4.7
71.08643	7.6
71.37516	0.6
79.05484	4.2
81.03388	0.6
81.06592	1.4
81.07059	26.3
83.04970	3.8
83.08633	4.0
85.10188	4.4
85.25529	0.6
86.09713	1.9
88.74091	0.7
91.05470	2.3
93.07059	4.8
95.08620	11.5
97.06557	0.8
97.10165	1.9
98.20834	1.3
102.20779	0.8
105.07028	2.9
107.08600	5.1
109.06522	8.3
109.10159	6.3
111.04449	15.8
111.11772	0.6
119.08599	4.1
121.10139	5.1
121.43581	0.7
123.08070	2.4
123.11718	2.5
123.39630	0.7
124.99979	1.6
125.05981	5.1
131.08592	1.9
133.10150	4.8
135.08069	2.5
135.11673	4.7
137.05983	100.0
137.13289	2.0
138.06331	0.9
139.07564	0.7
144.34206	0.7
145.10139	1.8
147.08054	1.8
147.11687	5.4
149.09625	5.2
149.13304	1.9
151.07578	3.0
151.11226	1.1
157.10156	1.8
159.11723	1.4
159.84720	0.6
161.09624	7.6
161.13300	2.3
163.11232	3.9
163.14903	1.1
165.09142	2.4
165.12775	0.7
167.10672	1.3
171.11688	1.8
175.11209	7.0
175.14929	1.1
179.10689	2.5
181.12283	1.0
184.07349	4.8
185.13564	0.7
189.12704	1.3
193.12267	1.5
203.14352	0.8
203.17966	7.2
205.19492	0.9
213.16415	4.4
221.18985	2.5
223.14906	1.1
231.17459	10.2
241.15953	1.1
249.18573	5.9
276.19742	1.1
277.18005	42.8
278.18497	1.1
282.27838	3.1
295.18994	6.3
313.27374	15.8
320.22131	7.4
351.21652	10.5
431.18365	1.1
454.29663	1.2
489.75180	0.7
507.63065	0.8
589.44629	96.1
590.44635	3.4
607.45679	24.5
608.46063	2.3
695.06580	0.7
712.46521	0.9
730.46094	4.3
731.47583	0.8
748.47839	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	747.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
53.81155	1.4
55.01881	15.0
55.05516	36.1
57.03435	6.3
57.07085	1.9
60.08191	1.4
65.03941	2.4
67.05510	51.2
69.03437	5.3
69.07076	18.8
70.06599	1.6
71.04996	3.4
71.52742	2.2
71.73796	1.3
73.02924	1.5
77.03957	1.4
79.05499	47.8
80.05811	1.3
81.03430	13.9
81.07061	100.0
82.07398	1.5
82.66068	1.3
83.04975	16.6
83.08154	2.2
83.08626	28.2
85.02916	5.9
85.06551	2.7
86.09691	9.4
91.05486	38.5
93.07050	44.9
95.04977	29.4
95.08612	28.2
97.06528	11.5
97.10175	14.6
99.04437	4.0
99.08089	1.7
105.07039	32.3
107.04967	12.7
107.08601	30.0
109.06531	15.3
109.10155	17.1
111.04457	14.4
111.08070	10.5
113.06135	1.2
115.05451	2.3
117.07031	16.4
118.81100	1.2
119.04928	2.2
119.08587	33.1
121.06509	12.5
121.10155	21.0
123.08067	22.3
123.11713	3.4
125.00013	5.1
125.06034	1.9
125.09641	13.7
128.06209	3.2
129.05524	1.9
129.07002	7.0
130.07828	2.0
131.08574	20.2
133.06537	3.4
133.10139	18.2
135.08054	8.8
135.11690	12.8
137.09639	6.3
139.11192	2.7
141.07043	2.9
143.08592	6.2
145.06487	1.9
145.10121	21.9
147.08047	9.7
147.11693	13.4
149.09627	23.9
149.13297	2.4
151.07556	1.9
151.11200	3.3
153.09135	2.3
153.12746	6.5
155.08571	2.1
157.10066	7.7
159.08124	3.8
159.11673	9.4
161.09657	6.4
161.13307	3.9
163.11195	30.1
165.09131	3.1
165.12770	5.5
167.08653	2.0
169.10138	3.5
171.11737	5.3
173.09663	5.4
173.13278	3.9
175.11232	4.5
175.14818	1.8
177.12764	4.1
181.10158	1.6
181.10645	1.7
181.12190	10.1
183.11661	3.4
184.07384	19.4
185.07674	3.7
185.13374	2.0
187.11226	2.2
187.14854	1.8
189.11249	11.1
189.12755	2.9
191.10616	9.0
193.12296	3.4
197.13231	2.1
205.12221	2.3
209.11743	1.8
213.16423	1.5
223.13307	7.1
227.12782	16.5
229.19501	2.2
239.17973	5.9
241.07158	1.4
245.18918	1.5
247.20694	2.6
249.14911	2.0
257.19009	10.0
273.18564	25.8
275.20068	50.4
276.20529	1.8
283.15430	8.4
289.21841	1.6
291.19565	58.2
293.21198	7.4
309.20648	2.6
331.22742	2.1
347.22177	7.4
349.19376	1.6
349.23688	28.8
365.23215	30.1
367.24765	3.5
439.23282	10.6
519.33154	1.5
532.33862	1.5
557.34442	1.4
621.41199	3.8
639.42444	14.7
657.43781	6.5
657.75140	1.7
675.44397	2.0
729.42188	5.3
747.41614	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01871	0.6
55.05511	1.9
57.03429	1.3
57.07076	0.3
60.08171	0.3
61.02928	3.5
67.05505	5.4
67.62135	0.3
69.03419	2.0
69.07059	2.1
71.01360	0.3
71.04984	0.4
71.52507	0.4
73.02914	2.7
73.45518	0.3
78.71053	0.3
79.05489	4.3
81.03430	1.8
81.07056	6.5
83.08620	1.2
85.02901	3.8
85.06541	0.4
85.84406	0.3
86.09713	1.2
88.83931	0.3
91.03956	2.5
91.04959	0.5
91.05489	4.2
91.74645	0.3
93.07041	6.0
95.04985	0.8
95.08620	2.6
95.09144	0.4
97.02904	3.3
97.06535	1.0
97.10163	0.4
99.04475	0.8
101.02400	1.4
103.04002	0.3
105.07026	3.1
107.08613	2.5
109.02885	0.6
109.06540	0.4
109.10178	1.2
111.08084	0.5
113.04621	0.3
115.03966	0.4
117.07038	1.2
119.08572	1.9
121.06518	0.4
121.10143	2.1
123.11729	0.4
125.00035	1.0
127.03946	1.1
129.07019	0.5
131.08582	1.3
133.10120	1.8
135.11710	1.3
143.08597	0.6
145.10146	0.9
147.11646	1.7
149.13293	1.6
157.10129	0.4
159.11722	1.1
161.13254	0.7
163.11319	0.4
171.11742	0.7
177.12811	0.5
181.12207	0.4
184.07353	2.9
185.04250	1.0
185.07707	0.6
185.13196	0.3
195.13919	0.4
203.05273	0.4
235.13148	0.9
243.08469	2.0
259.20706	0.6
269.17566	0.6
291.15845	0.5
301.08975	1.0
315.10703	0.5
327.10828	0.4
333.24377	0.5
373.11063	0.4
383.17154	0.4
397.18219	0.5
443.19193	0.7
453.20950	8.9
457.66599	0.3
465.21280	0.6
525.23071	1.6
535.28772	5.8
553.26257	0.5
595.30890	0.4
609.32367	0.5
677.35211	0.5
747.42877	100.0
748.42999	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	746.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
57.07078	31.6
59.04992	1.0
60.08162	1.0
65.84982	0.7
67.05498	2.3
69.03441	0.9
69.07079	4.3
71.08637	29.2
71.52234	1.1
73.02934	1.4
73.06557	10.2
78.25905	0.8
79.05495	1.8
81.07049	2.6
83.08604	2.5
85.10182	15.4
86.09717	6.7
87.04478	11.5
89.06035	100.0
89.29131	0.7
91.05461	0.7
91.07574	0.9
93.07021	1.6
95.08594	2.4
97.10180	4.0
99.11742	2.3
104.50544	0.8
105.06991	1.1
107.07064	2.2
111.11710	2.3
113.13297	1.7
114.09193	0.7
117.09121	9.9
123.86875	1.0
124.99986	3.9
125.13274	1.1
127.14831	1.7
130.08635	5.0
131.07045	3.4
131.08592	1.2
133.08611	54.7
135.10153	1.2
145.10176	0.8
161.11736	1.9
161.78122	0.8
175.09680	3.1
177.11227	23.1
177.12726	1.8
183.21103	3.2
184.07368	19.6
219.12335	1.5
221.13870	5.8
227.23698	3.2
249.32155	0.9
265.16318	1.3
271.26340	7.4
283.17569	2.3
309.19183	1.3
315.28854	3.6
475.33972	1.6
547.32971	2.4
707.01349	0.9
710.39844	0.9
729.53326	3.8
733.63135	1.0
746.56671	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01869	2.1
55.05514	13.4
57.03445	6.6
57.07078	2.1
59.04990	2.3
61.02921	2.9
65.03932	2.5
67.05507	85.1
69.03431	3.1
69.07073	12.1
71.04996	19.3
71.08644	1.1
71.52662	1.4
72.00030	0.8
73.06534	0.9
79.05497	33.8
81.03413	3.5
81.07057	37.3
83.04988	5.5
83.08614	8.5
85.02907	3.8
85.06541	4.2
86.09716	2.1
88.13284	0.9
91.05485	23.6
91.06027	1.8
93.07048	42.3
95.04966	5.4
95.08610	31.4
97.02903	1.4
97.06538	4.9
97.10197	1.4
99.08128	1.1
105.07038	12.7
106.14444	0.8
107.08603	18.1
109.06525	3.0
109.10160	64.1
110.10480	1.2
111.08099	3.2
113.06143	0.8
117.07011	5.7
119.08586	15.3
121.10153	16.6
123.08080	2.4
123.11729	2.6
124.99986	1.1
125.09692	1.7
127.03961	1.5
129.06990	1.4
131.08594	7.7
133.10138	8.4
135.11694	14.3
137.09608	9.2
143.08630	1.1
145.10143	9.6
147.11650	4.1
149.09645	1.2
149.13269	3.2
155.08650	1.1
155.10690	4.0
157.10107	1.6
159.11708	3.8
161.09570	1.2
161.13280	3.9
163.11211	4.3
163.14894	1.6
165.12741	1.5
169.12277	1.0
173.11739	8.8
173.13313	3.2
175.14828	0.9
181.12282	3.7
184.07359	6.7
185.07713	0.9
187.13316	1.7
187.14845	1.4
213.14819	1.4
215.43448	0.9
229.14313	1.1
242.94611	0.9
243.15909	1.9
255.15948	5.2
261.22147	3.7
263.98239	0.9
285.16885	1.7
287.18533	18.9
287.21432	1.7
296.96161	1.0
335.25827	30.7
336.26306	1.1
370.91922	0.9
397.30984	1.4
423.32468	2.1
446.29324	0.9
471.34918	2.5
489.35757	100.0
490.35947	3.8
503.37064	3.1
515.37244	13.5
547.39972	86.2
548.40320	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	744.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01877	3.6
55.05513	17.5
57.03435	11.2
57.07070	2.4
61.02929	1.8
65.03940	1.2
65.17569	1.3
67.05505	55.8
69.03410	3.7
69.07072	17.8
69.27266	2.3
69.27666	8.3
71.04984	4.1
74.09703	1.2
74.42426	1.3
79.05493	30.9
81.02934	1.8
81.03414	27.1
81.06592	2.6
81.07056	52.5
81.07533	3.1
83.04986	14.0
83.08618	16.2
85.02908	13.2
85.06515	2.3
85.11812	1.2
86.09696	5.9
87.04438	1.8
91.05475	28.1
93.06490	2.6
93.07045	37.1
95.04971	14.7
95.08607	34.8
97.02878	3.0
97.06516	5.1
97.10129	7.1
99.08078	1.8
105.07026	16.4
105.24918	1.4
107.04942	4.1
107.08584	18.2
109.06505	4.2
109.10149	18.7
111.04418	2.1
111.08064	8.8
117.07011	4.1
119.08571	13.3
121.06452	1.4
121.10147	14.3
123.08042	2.4
123.11692	5.3
125.00018	3.5
125.09637	2.0
129.06987	5.6
131.08545	8.5
133.10147	10.5
135.11693	17.2
137.09636	1.6
137.13229	1.2
139.11191	1.4
142.07741	1.6
145.10118	5.9
147.11707	8.8
149.09625	3.3
149.13300	2.0
153.12750	4.6
157.10158	7.5
159.11725	3.2
161.13217	2.5
163.11159	5.3
173.11780	1.4
173.13281	2.1
175.11211	6.2
175.14784	2.1
181.12231	25.9
184.07320	19.3
193.12233	21.1
198.07005	1.4
211.13277	37.2
255.15872	3.3
261.22119	3.7
263.23642	2.4
267.15848	8.2
285.16968	43.0
287.18509	31.2
317.24683	1.6
335.25830	43.0
337.27353	39.2
427.48260	1.4
437.42676	1.3
489.35767	2.6
515.37164	5.1
529.38959	7.7
547.39935	100.0
548.39838	3.2
771.23132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.6
55.01875	4.2
55.05514	23.7
55.61319	0.7
57.03440	9.2
57.07058	1.3
59.04983	0.8
60.08150	1.1
61.02919	1.8
65.03909	1.9
67.05509	38.3
69.03393	1.9
69.07072	14.2
70.77631	1.8
71.01347	3.6
71.05007	4.1
77.03935	0.8
79.05497	36.3
81.03423	5.3
81.07061	25.1
83.04993	10.8
83.08622	17.8
85.02912	4.5
85.06522	2.8
86.09708	4.2
91.04910	0.8
91.05482	22.1
93.07047	40.7
95.04972	37.3
95.08064	0.9
95.08608	12.6
95.90804	0.7
97.02884	1.2
97.05930	1.0
97.06525	11.7
97.10177	13.6
99.04404	2.9
99.08053	2.0
103.05391	0.9
105.07037	17.1
107.04966	8.3
107.08600	32.7
109.06532	4.9
109.10168	8.9
110.92972	0.8
111.04451	4.1
111.08089	5.0
111.11658	0.9
115.05428	0.9
117.07021	9.7
119.04926	0.9
119.07808	1.0
119.08588	13.8
121.06543	5.1
121.09348	0.8
121.10146	13.7
123.08059	4.3
123.11695	1.9
123.22268	0.7
124.99978	1.7
125.05977	1.7
125.09630	7.2
128.06221	0.9
129.06969	2.1
130.07793	0.8
131.07739	0.8
131.08588	8.7
133.09253	0.9
133.10141	9.3
135.08090	4.7
135.11699	36.3
137.09587	4.0
139.11142	0.7
141.06944	1.0
143.08543	3.2
145.06416	0.8
145.10124	18.9
147.08046	3.2
147.11674	5.8
149.09634	14.3
150.09972	0.7
151.11137	1.8
153.09074	0.9
153.12759	1.7
155.08516	1.4
157.10060	2.2
159.11694	5.0
161.09619	2.0
161.13234	2.1
163.11194	24.0
164.11531	0.7
165.09152	1.0
165.12759	1.1
167.10654	1.0
169.10117	2.3
171.11636	0.9
173.09616	1.7
173.11833	0.9
173.13252	2.6
175.11263	0.9
177.12721	2.4
181.12254	12.3
183.11658	1.4
184.05794	1.0
184.07349	10.6
185.13271	0.8
187.11188	2.7
189.11209	5.5
189.12793	1.3
191.10619	1.2
191.91835	0.7
197.13240	1.9
199.11317	0.6
199.13208	1.5
201.12859	0.9
205.12193	3.3
223.13281	22.2
227.12686	1.6
229.19527	1.7
232.06909	0.6
237.14886	1.5
239.17981	2.0
247.20490	1.5
252.99741	0.6
255.15921	100.0
256.16190	1.1
257.18942	3.9
269.84509	0.6
273.18484	0.9
275.20068	33.6
276.20404	1.0
293.21115	25.4
299.33188	0.8
311.21948	0.7
318.79077	0.6
331.22546	1.2
349.23752	17.2
365.23309	0.8
367.24823	25.1
511.34436	0.8
529.35266	39.7
530.35693	2.2
547.36340	90.4
548.36816	3.0
565.37469	1.2
744.43256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01872	8.0
55.05516	32.1
57.03439	16.6
57.07081	1.1
59.05007	0.8
61.02919	3.2
65.03941	2.9
67.05509	52.8
69.03429	3.5
69.07074	22.1
69.67830	4.9
71.01351	3.6
71.04998	4.6
71.08631	0.9
72.06631	0.9
73.02929	1.1
75.04456	1.4
77.03934	1.6
79.05499	45.7
80.05837	1.4
81.03424	8.0
81.07058	43.6
83.04994	12.1
83.08624	31.6
85.02901	4.1
85.06530	4.6
86.09715	2.5
91.04897	1.7
91.05483	38.7
93.07049	54.6
94.07353	1.1
95.04967	15.4
95.08615	23.9
97.02891	3.3
97.06528	16.4
97.10164	9.7
98.21497	1.3
99.04436	2.3
99.08089	2.0
103.05503	1.9
105.07040	30.0
107.04969	12.6
107.08603	40.9
108.08939	1.3
109.06527	7.5
109.10162	19.8
111.04445	1.3
111.08085	7.5
113.06036	1.1
113.09691	1.0
115.05426	1.8
117.07039	13.4
119.08586	27.9
121.06522	5.4
121.10158	18.4
123.08079	5.9
123.11714	3.4
125.00040	2.1
125.09649	6.2
127.07573	1.0
128.06226	1.0
129.07013	4.0
131.08557	11.2
133.06480	2.6
133.10139	26.8
135.08104	5.4
135.11696	47.1
135.98166	0.9
137.06065	1.0
137.09631	7.0
137.10548	1.2
139.11176	1.6
141.07014	1.3
143.08577	4.4
145.06534	1.0
145.10133	24.5
147.08061	4.1
147.11713	11.5
149.09627	18.4
149.13287	1.8
151.11198	8.3
153.12766	2.1
155.08583	2.5
157.10162	3.6
159.08083	1.5
159.11720	8.2
161.09624	2.3
161.13264	5.5
163.11191	25.0
165.12810	5.1
167.10704	1.3
169.10126	3.2
171.11705	3.8
173.09636	3.5
173.13231	4.8
175.11218	2.7
175.14874	1.7
177.12772	2.7
181.12230	11.4
183.11711	2.0
184.07341	6.3
185.13235	1.5
185.64709	0.9
187.11200	1.6
187.14774	2.3
189.12788	1.0
191.14444	1.0
197.13335	2.2
199.13251	1.9
199.14912	1.6
207.13821	1.3
215.14352	1.4
215.17989	1.6
223.13283	2.5
227.12689	1.4
229.19518	2.8
237.14836	1.2
239.18040	5.6
247.20572	2.1
253.14386	6.1
255.15923	100.0
257.19009	9.5
259.20700	3.4
271.15469	3.1
273.18503	2.8
275.20074	54.6
291.19611	1.8
293.21173	6.7
332.01410	0.9
333.24356	1.7
349.23737	37.0
365.23227	1.7
367.24835	14.4
389.26730	0.9
437.30545	1.1
511.34430	2.7
529.35278	82.3
530.35364	2.6
547.36353	74.5
548.36633	2.4
574.42297	1.0
755.35846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01886	0.4
55.05513	1.7
57.03437	1.5
61.02933	4.9
66.90296	0.4
67.05506	4.8
69.03436	2.6
69.07081	1.3
70.70056	1.0
71.01335	0.6
71.04996	0.6
73.02921	4.0
76.61199	0.4
79.05500	4.2
81.03423	1.5
81.07069	5.5
83.04999	0.5
83.08639	0.6
85.02908	4.6
91.03958	3.3
91.05483	2.9
93.07048	4.4
95.04994	0.9
95.08606	4.0
97.02898	4.1
97.10172	0.4
99.04480	0.8
101.02414	1.7
103.03959	0.6
105.07031	2.2
107.08611	1.7
109.02918	0.5
109.10168	1.6
117.07053	0.8
119.08644	1.3
121.10184	1.3
123.08078	0.4
123.11765	0.4
125.23331	0.4
127.03973	1.2
131.08583	0.7
133.10172	0.7
135.11743	0.7
145.10170	1.0
147.11775	1.4
159.11749	0.4
161.09604	0.5
161.13217	0.5
171.11771	0.8
175.11435	0.4
181.12402	0.5
184.07362	0.6
184.44144	0.4
203.05316	0.6
243.08360	1.9
247.13185	1.6
303.15860	0.5
335.25821	0.5
390.24576	0.4
452.31918	0.4
465.21082	3.9
519.29279	5.8
732.72528	0.4
743.43445	100.0
744.43652	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	744.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01868	9.0
55.05514	34.3
56.94371	2.0
57.03436	16.6
59.05008	2.1
60.08162	3.5
61.02917	3.4
65.03935	4.0
67.05511	66.5
69.03411	7.1
69.06801	2.0
69.07075	22.5
69.25486	5.3
69.25888	14.3
71.01339	3.2
71.04989	9.4
73.28694	2.5
79.05497	58.5
81.03418	10.7
81.07063	57.5
83.04994	15.6
83.08630	28.8
85.02895	7.1
85.06528	3.7
86.09711	16.6
91.05486	41.3
93.07050	60.5
95.04979	50.6
95.08617	26.4
97.02892	2.6
97.06539	15.5
97.10191	15.5
98.98457	3.1
99.04459	5.2
99.08072	3.4
105.04440	2.1
105.07042	31.5
107.04966	14.8
107.08605	46.7
109.06515	8.7
109.10151	19.0
111.04436	8.6
111.08077	9.4
117.07013	15.8
119.08582	33.4
121.06513	6.4
121.10142	23.6
123.08079	9.5
123.11697	2.5
124.09884	2.4
124.99995	8.9
125.06001	5.3
125.09611	6.8
129.07028	5.3
131.08562	17.6
133.06479	2.5
133.10149	25.3
135.08040	9.0
135.11700	43.9
137.09619	7.3
141.07002	3.7
143.08582	7.1
145.10139	27.6
147.08044	4.7
147.11670	7.8
149.09607	21.7
149.13278	3.6
151.07568	2.8
151.11206	2.8
155.08549	3.4
157.10172	5.9
159.11700	12.9
161.13281	5.0
163.11197	30.9
165.09171	2.1
165.12802	4.7
169.10117	2.8
171.11775	4.3
173.09708	4.1
173.13254	4.7
175.11230	3.5
175.14882	2.4
181.12206	15.1
183.11722	2.5
184.07350	58.3
184.08961	3.0
187.11273	2.9
187.14627	2.9
189.11195	7.6
189.12746	3.4
201.12727	3.1
216.54225	2.6
217.16040	2.5
223.13309	20.8
227.12750	2.4
247.20505	3.7
255.15912	78.6
255.18570	4.0
257.19055	7.7
269.17416	6.4
271.15253	2.4
275.20074	41.3
293.21133	29.9
349.23853	16.9
367.24823	24.7
410.66980	2.3
435.27719	3.5
449.28983	18.6
452.87607	2.0
453.05869	2.3
471.30566	2.8
511.33542	3.0
529.28107	4.2
529.35297	44.0
547.36346	100.0
548.35583	3.0
567.30658	3.5
596.55511	2.5
744.43445	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86392	0.6
53.03939	3.0
55.01846	2.5
55.05515	17.0
57.03441	14.3
57.07035	1.6
59.04988	1.0
61.02923	3.9
65.03942	2.5
67.05510	51.0
67.05860	1.7
69.03436	3.9
69.07075	13.9
71.01338	0.6
71.05001	4.4
73.02882	1.3
77.03911	0.7
79.05499	40.7
81.03423	40.7
81.07061	53.4
82.07365	0.7
83.04988	11.5
83.08623	19.8
85.02911	21.7
85.06509	2.2
91.03935	1.0
91.05487	36.6
93.07049	41.5
95.04980	17.9
95.08611	33.3
97.02905	3.0
97.06529	5.3
97.10155	3.6
98.20760	1.0
99.08071	1.4
105.04503	1.1
105.07035	24.0
107.04315	0.6
107.04961	5.9
107.07905	1.0
107.08597	19.5
109.06524	4.7
109.09495	1.0
109.10162	12.1
111.04417	2.3
111.08093	6.9
113.06013	1.3
115.05389	1.1
116.06159	0.6
117.07014	4.8
119.08581	19.5
121.06464	1.5
121.10149	18.3
123.08057	3.3
123.11728	4.9
125.05975	0.6
125.09601	2.0
128.06169	0.8
129.07019	9.8
131.08580	13.9
133.06447	1.7
133.10136	12.2
135.08044	1.0
135.11696	9.4
137.09554	1.7
137.13205	1.1
142.07745	2.2
143.08540	0.9
145.10123	5.8
147.07982	2.3
147.11697	14.5
149.09622	5.0
149.13266	3.9
151.07494	0.7
151.11194	0.9
153.12779	0.7
155.08522	0.6
157.10133	9.9
159.11707	3.9
161.13258	2.6
163.11139	2.0
163.14792	2.3
164.36935	0.5
165.12718	2.3
171.11620	0.8
173.13261	2.8
175.09802	0.7
175.11201	9.9
175.12711	0.6
175.14734	1.6
181.12204	1.6
183.11606	0.7
184.07327	1.1
184.86514	0.6
187.14772	1.3
193.12260	29.0
194.12526	0.7
211.13303	44.9
212.13707	1.1
227.12766	0.9
243.21085	3.1
249.14825	1.2
261.22122	8.8
265.41620	0.6
267.15924	11.4
285.16977	50.5
286.17313	1.4
307.81265	0.6
317.24866	2.1
327.65366	0.7
335.25815	82.7
336.26184	1.4
433.41342	0.6
435.32483	1.1
453.33472	1.8
471.34644	1.2
527.37341	14.1
528.37506	1.0
545.38391	100.0
546.38727	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
55.01864	3.3
55.05274	1.2
55.05515	19.4
57.03440	15.9
57.07060	1.5
59.04979	1.9
61.02925	4.6
65.03930	1.9
67.05507	55.8
69.03446	4.9
69.07072	14.4
71.04986	6.3
73.02901	2.6
79.05495	45.2
81.03421	60.1
81.07061	57.5
83.04984	17.0
83.08151	1.8
83.08623	27.6
85.02909	27.0
85.06545	3.7
91.03948	1.6
91.04907	1.9
91.05482	40.1
93.07045	44.1
95.04970	25.6
95.08609	32.4
97.02889	4.5
97.06516	4.6
97.10188	5.3
99.08105	2.8
105.07038	28.9
107.04982	6.8
107.08598	24.6
109.06502	4.9
109.10163	13.1
111.04431	2.2
111.08089	10.9
113.05977	1.7
115.05454	2.2
117.07021	5.4
119.08588	27.0
121.00449	0.9
121.06536	1.4
121.10153	20.9
123.08060	4.0
123.11707	4.6
125.06007	1.2
125.09618	2.2
128.06212	1.2
129.07019	10.3
131.08563	17.9
133.06496	2.4
133.10135	19.0
135.08060	2.1
135.11688	9.0
137.09616	1.9
141.07106	1.2
142.07811	2.3
143.08589	1.0
145.10123	5.8
147.08014	3.2
147.11676	17.5
149.09599	7.3
149.13281	5.7
157.10132	14.8
159.11668	4.1
161.13251	2.2
163.11142	2.2
165.12730	4.2
171.11650	1.5
173.13243	3.9
175.11185	13.0
175.14748	1.7
177.16293	1.6
181.12215	2.2
183.11723	1.8
184.07361	1.7
187.14861	2.0
189.11259	1.1
193.12247	42.6
211.13300	71.6
243.21107	2.9
261.22171	11.7
267.15927	14.0
271.09351	0.9
272.47815	1.0
285.16968	81.2
286.17279	1.2
301.25302	1.6
317.24915	1.9
335.25812	65.1
336.26288	1.5
360.55600	0.9
399.19446	1.9
435.32346	2.3
453.33542	2.1
527.37250	13.6
545.38397	100.0
546.38617	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01866	2.9
55.05269	1.9
55.05516	22.3
57.03186	1.6
57.03439	16.2
57.07079	5.5
59.04981	2.1
61.02916	3.0
65.03961	2.3
67.05508	88.3
69.03426	3.2
69.07070	25.4
69.33655	5.2
69.34090	3.7
71.01359	1.5
71.04989	5.4
71.08620	1.4
73.02922	1.4
77.03942	2.0
79.05497	64.2
81.03428	4.2
81.07060	100.0
83.04995	6.9
83.08622	16.1
85.02892	4.3
85.06531	6.0
91.03968	1.1
91.05485	69.2
93.07047	93.2
94.07362	1.6
95.04958	8.2
95.08610	39.9
97.02845	1.7
97.06544	13.5
97.10164	3.9
98.20766	2.1
99.04416	1.2
99.08081	5.7
101.59528	1.0
105.04532	2.5
105.07035	68.3
107.04951	2.5
107.08601	53.2
109.06529	3.7
109.10172	15.6
111.08102	6.4
113.06001	1.3
113.09616	1.9
115.05466	2.6
117.07024	23.5
119.08587	56.6
121.06501	3.3
121.10145	40.6
123.08076	4.2
123.11721	5.2
125.00035	1.3
125.06005	2.8
125.09631	4.1
128.06215	2.3
129.05504	1.7
129.07018	11.2
131.08575	30.9
133.10143	49.2
135.08037	3.2
135.11707	23.1
137.09596	1.7
139.11177	2.8
142.07727	1.1
143.08571	11.5
145.10129	20.2
147.08083	2.6
147.11690	44.6
149.09605	4.4
149.13264	42.9
151.07516	1.2
151.11217	1.4
155.08548	3.1
157.10143	9.5
159.11697	34.3
161.09697	2.3
161.13269	31.6
163.11186	3.5
163.14806	3.2
165.12697	2.4
169.10124	3.6
171.11690	12.3
173.13295	10.5
175.11208	2.2
175.14839	12.1
177.12764	7.5
181.12251	5.5
183.11708	2.1
184.07341	4.1
185.13235	9.2
187.14816	4.0
189.12726	2.4
189.16473	1.9
195.13818	12.5
197.13268	2.9
199.14839	6.5
201.12695	1.2
201.16505	1.3
203.14261	1.7
209.09471	1.0
213.16420	3.0
215.17911	1.1
217.19446	1.2
231.21060	6.8
235.76947	1.1
241.19521	34.8
243.21082	2.1
257.19034	2.4
259.20578	84.7
260.20862	2.8
261.22122	2.6
267.15915	11.5
269.17490	98.2
270.17868	2.0
274.36447	1.0
275.19955	1.7
277.21323	1.2
297.21973	1.6
315.23215	5.5
333.24265	64.5
334.24350	1.2
357.80624	1.1
361.23578	1.2
417.31583	1.4
435.32785	5.4
446.29514	1.2
453.33630	6.3
496.20468	1.2
509.36020	3.5
517.38696	3.1
524.01373	1.2
527.37360	88.6
528.37402	2.6
545.38391	25.0
689.42352	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	742.414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
56.05040	1.6
57.07059	0.3
58.06604	1.3
60.08166	15.3
67.05495	1.1
67.27833	0.3
69.07072	0.7
69.91965	1.0
70.06595	2.5
71.07375	7.1
72.08137	0.8
79.05494	0.4
81.03411	0.4
81.07045	1.5
83.08623	0.4
84.04516	0.5
84.08154	1.6
86.09707	56.2
91.05492	0.9
93.07043	0.8
95.08604	1.2
98.21467	0.5
98.98471	6.2
104.10744	100.0
105.07079	0.4
105.11064	0.7
107.08593	0.4
109.10149	0.6
111.04424	0.4
120.08099	0.7
120.82404	0.3
125.00008	33.2
127.04014	0.3
129.10258	0.8
133.10124	0.4
136.07602	0.6
143.11742	0.4
184.07343	77.2
199.89447	0.3
225.02792	0.3
253.10117	0.3
261.42667	0.3
267.16190	0.4
280.31073	0.3
458.33990	0.7
476.35010	57.9
477.35269	1.3
494.36038	11.5
640.06018	0.3
656.41809	0.5
742.28284	0.6
742.41321	9.8
743.40826	0.5
747.90692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01878	5.5
55.05519	12.7
56.05025	0.3
57.03450	4.1
57.07051	0.4
59.05005	0.4
61.02932	4.9
65.03924	0.8
67.05511	17.3
69.03429	2.8
69.07076	9.4
69.25806	1.0
69.26231	1.5
70.06596	2.8
71.05013	1.6
72.08144	1.1
73.02921	2.0
73.33424	0.3
79.05501	15.0
81.02995	0.4
81.03426	6.1
81.07065	30.0
83.04987	6.1
83.08170	0.5
83.08631	8.3
84.04486	0.9
84.08152	3.4
85.02914	7.5
85.06521	0.6
86.09715	2.5
91.03437	0.3
91.03961	4.8
91.05491	9.5
93.07054	13.7
95.04974	6.9
95.08616	8.5
97.02903	4.0
97.06540	3.9
97.10182	16.6
97.89046	0.3
99.04483	1.6
99.08080	0.9
102.05549	0.4
103.03941	0.3
105.04546	0.3
105.07040	8.5
107.04966	4.0
107.07893	0.6
107.08604	11.9
109.02863	0.9
109.06527	3.2
109.09497	0.4
109.10173	6.9
110.07139	0.6
111.03729	0.5
111.04455	7.6
111.08095	4.0
113.05991	0.3
115.03918	0.4
115.05470	0.5
116.06246	0.3
117.07024	4.6
119.04932	0.5
119.08592	10.5
120.08078	0.8
121.06509	4.3
121.10157	6.4
123.04407	0.6
123.08080	14.3
123.11683	0.8
125.05982	0.9
125.09639	16.1
127.03928	1.8
128.06209	0.3
129.07045	2.3
129.10233	1.4
131.04958	0.4
131.08575	6.3
133.06491	1.5
133.10138	4.4
135.08075	4.4
135.11687	5.2
136.07574	0.8
137.05956	0.6
137.09615	3.3
139.07556	0.3
139.11171	0.8
140.43304	0.3
141.09094	0.6
142.07834	0.4
143.08566	3.0
143.10728	0.7
143.11787	0.6
145.04956	1.3
145.06464	0.8
145.10138	7.3
147.08057	4.9
147.11707	3.1
149.09630	3.7
149.13257	1.3
151.11163	0.7
153.09103	2.0
153.12764	3.6
155.08481	0.9
157.10149	3.1
159.08063	1.1
159.11697	2.7
161.09627	3.9
161.13235	0.6
163.05998	1.3
163.07343	0.5
163.11201	9.9
165.09158	3.2
165.12791	0.6
169.10120	1.0
171.10143	1.4
171.11667	1.0
173.09669	2.0
173.11751	0.3
173.13188	0.7
175.11215	2.5
177.08939	0.3
177.12720	1.1
179.10719	0.6
181.10106	0.4
181.10402	0.4
181.12247	5.0
185.09572	0.5
185.13248	0.8
187.11230	0.4
189.09439	0.5
189.11235	9.7
189.12814	0.5
191.10655	2.5
193.12262	3.9
195.11761	0.5
195.13780	0.3
199.11145	0.6
203.14383	0.6
205.12218	0.6
209.11745	0.8
211.13199	0.7
211.69014	0.3
213.12737	0.5
213.16289	0.4
217.12248	0.3
217.19514	0.3
223.13344	1.8
227.12781	5.2
227.17941	0.8
237.16461	0.6
245.13914	0.5
245.19067	1.6
249.14758	0.7
255.17613	1.6
263.20123	0.8
267.15894	0.3
273.18518	12.3
283.15405	1.4
285.16949	0.5
291.19574	27.7
292.19955	0.5
297.16843	0.3
309.20609	4.0
347.22183	2.6
365.23260	41.9
366.23621	0.9
383.24304	100.0
384.24554	2.3
396.47189	0.3
435.23859	0.4
455.24380	0.3
461.13959	0.3
491.26285	0.7
500.90479	0.3
509.27582	1.8
527.28479	1.7
545.29565	4.7
630.44153	0.4
728.90039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.7
55.01870	5.7
55.05514	14.8
56.05030	0.5
57.03442	4.2
59.04987	0.6
61.02928	7.6
65.03905	0.6
67.05507	17.7
67.05842	0.6
69.03432	2.7
69.07070	11.8
69.77239	2.1
70.06598	6.8
70.06966	0.9
71.04951	1.6
72.08118	1.8
73.02880	1.9
75.05588	0.6
79.05495	17.2
81.03419	6.8
81.07057	40.6
81.07751	1.1
83.04987	6.6
83.08622	9.6
84.04512	2.5
84.08139	5.8
84.63982	0.4
85.02908	9.3
85.06504	1.6
86.09238	0.7
86.09703	7.8
87.04433	0.4
91.03969	4.4
91.05482	10.9
93.07043	15.5
95.04972	8.6
95.08609	9.4
97.02393	0.4
97.02891	4.9
97.03918	0.4
97.06538	4.5
97.10170	16.0
98.20848	0.8
99.04403	1.7
99.08054	1.4
101.07114	0.5
101.09618	0.7
102.05521	0.8
103.05415	0.6
105.06331	0.6
105.07033	11.3
107.04950	4.8
107.07907	0.8
107.08590	12.0
109.02867	0.9
109.06522	3.9
109.10172	5.6
110.07156	1.1
111.04455	6.9
111.07399	0.4
111.08089	4.5
112.08704	0.4
114.59268	0.5
115.05441	0.9
115.08653	0.4
117.07023	5.3
119.04922	0.9
119.08586	13.6
120.08112	3.2
121.06511	4.4
121.09333	0.5
121.10143	7.8
123.04339	0.4
123.08064	13.5
125.05959	0.7
125.09629	16.3
127.03857	1.9
128.06171	0.6
129.07027	3.4
129.10251	2.9
130.05005	0.5
130.07713	0.5
131.04892	0.4
131.08559	7.6
133.06477	2.1
133.10121	5.6
135.08054	4.8
135.11685	5.1
136.07590	2.3
137.09615	5.1
139.11157	2.2
141.06909	0.6
142.07785	0.7
143.08559	3.0
143.10623	1.0
143.11734	1.3
145.04901	2.0
145.06430	1.0
145.10121	8.5
147.04362	0.6
147.08054	5.7
147.11679	3.6
148.06023	0.5
149.09610	5.0
149.13203	1.4
151.11101	0.7
153.09148	2.4
153.12753	4.5
154.03548	0.5
155.08527	0.9
157.06479	0.5
157.10132	3.7
159.08012	0.8
159.11659	3.1
161.09631	4.6
161.13260	0.5
162.10413	0.5
163.06059	2.6
163.11189	13.1
165.09094	4.4
165.12749	0.7
169.10040	0.9
171.10143	1.5
171.11629	2.4
173.09563	1.7
173.13220	0.7
175.11166	3.9
177.12700	1.5
179.10510	0.8
181.10147	0.4
181.10663	0.5
181.12236	4.5
183.11520	0.5
185.09584	1.0
185.13214	1.3
187.11124	0.7
189.11226	9.7
189.12723	0.8
191.10614	3.1
193.12236	5.0
195.11638	0.7
199.11061	1.0
201.12602	0.5
203.14345	0.6
205.12149	0.8
207.13863	0.5
209.11604	0.9
211.13246	1.0
213.12730	0.7
219.13661	0.5
222.23589	0.5
223.13272	2.5
227.12788	6.8
227.17870	1.2
237.16399	1.1
238.95970	0.5
245.13707	1.5
245.19022	2.4
249.14870	1.4
249.18486	0.6
255.17615	2.2
263.20050	1.3
267.15842	1.1
273.18506	19.6
283.15402	3.4
285.17065	2.4
291.19540	49.8
292.19992	1.0
297.17221	0.6
301.16379	1.4
309.20599	7.9
347.22235	5.3
365.23236	100.0
366.23685	2.3
383.24286	79.2
384.24622	1.4
509.27502	0.9
527.28430	1.2
545.29492	1.3
608.71667	0.5
632.41418	0.5
702.83710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01878	1.2
55.05276	1.0
55.05519	14.8
55.84659	0.9
57.03445	6.1
57.07091	2.0
63.16269	0.8
65.03946	2.2
67.05511	40.1
69.07077	10.4
69.22468	3.4
69.22894	5.0
71.04987	1.6
73.06541	1.0
75.04476	3.5
79.05502	30.4
81.03413	2.7
81.07066	36.8
83.04991	6.8
83.08627	8.0
85.06543	2.7
91.05489	28.0
91.06029	2.0
93.07054	29.7
95.04980	7.1
95.08618	26.5
97.06528	3.8
97.10165	4.4
103.87077	1.1
105.04522	2.1
105.07035	21.3
107.04981	2.2
107.08610	10.4
109.06532	2.2
109.10173	8.6
111.08095	1.9
115.05476	0.9
115.07587	2.6
117.07040	3.5
119.08588	12.0
121.06480	1.6
121.10146	5.2
123.08067	4.0
123.11703	3.0
129.07008	6.6
131.08578	1.9
133.10143	8.6
135.11739	3.3
143.08574	4.1
145.10127	4.1
147.08037	1.4
147.11705	14.6
161.09602	1.9
161.13266	3.8
169.10126	1.2
171.11720	8.2
175.14871	2.0
184.07425	1.4
185.13310	1.3
189.12770	3.1
207.13803	12.4
263.23801	1.7
281.17499	36.5
330.24976	1.1
337.27399	38.9
338.27606	1.4
543.40527	100.0
544.40961	4.0
561.41504	1.5
599.49884	3.4
650.70496	1.0
661.65625	1.0
740.46307	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98599	0.5
53.03927	3.0
55.01874	8.0
55.05516	25.1
56.45713	0.6
57.03441	18.4
57.07079	3.2
58.64849	0.7
59.04976	2.9
61.02657	0.6
61.02925	7.1
65.03913	2.4
66.04693	0.6
67.05507	62.4
69.03407	2.7
69.07072	15.1
70.69454	1.5
71.01348	1.5
71.04989	4.0
73.02888	2.5
75.04485	1.3
77.03897	1.2
79.05495	51.2
81.02994	0.9
81.03417	12.4
81.07059	63.0
83.01340	8.1
83.04987	13.3
83.08160	1.0
83.08621	17.2
85.02904	9.6
85.06532	3.3
86.09692	2.8
91.03959	3.6
91.04902	1.1
91.05482	31.5
93.07047	66.7
95.04981	9.4
95.08609	46.0
97.02876	5.6
97.06537	6.8
97.10168	5.5
99.04432	2.7
99.08092	1.8
103.05450	1.0
105.04510	1.7
105.06314	0.8
105.07038	22.9
107.04956	7.9
107.08599	34.3
107.51881	0.7
109.02894	0.9
109.06525	7.9
109.10159	17.6
111.04411	1.9
111.08107	3.0
115.05420	0.9
117.07017	14.7
119.08586	20.9
121.06506	3.8
121.10151	23.8
121.11032	1.1
123.04414	0.9
123.08079	8.5
123.11714	5.2
124.99995	2.1
125.05955	2.2
125.09637	4.4
127.03906	1.2
128.06204	0.6
129.07045	3.8
130.07741	1.9
131.04889	0.8
131.08562	13.5
132.55377	0.6
133.10132	12.8
135.08026	2.5
135.11696	24.5
137.09627	1.8
137.13242	1.6
139.07571	1.1
139.11139	0.7
141.06934	0.7
143.08565	2.7
145.04976	0.7
145.06496	0.9
145.10127	23.4
147.08025	2.0
147.11687	7.1
149.05991	1.2
149.09615	1.8
149.13248	6.9
151.11105	0.8
153.09155	0.6
153.12753	3.7
155.08556	2.0
157.10120	2.2
159.11722	6.1
161.13193	4.0
163.11180	24.9
163.14827	2.9
169.10094	0.9
171.11685	2.0
172.91011	0.7
173.09653	3.6
173.13275	6.3
175.14819	1.9
177.16400	1.4
181.12213	4.9
183.11674	0.7
184.07333	7.9
185.13219	1.1
187.14784	3.3
189.11237	2.1
191.10674	2.9
193.12233	1.1
201.16360	1.5
205.15791	0.7
209.11719	7.4
211.13269	1.0
227.12778	9.4
243.21104	5.7
259.20529	2.6
261.22156	17.9
267.15799	1.6
283.15402	99.8
284.15726	2.0
285.17020	0.9
295.46939	0.7
299.23669	4.3
306.27893	0.9
317.24722	3.6
333.24319	2.0
335.25806	100.0
336.26178	2.2
433.30902	1.0
451.31973	3.5
469.32898	3.3
487.34506	1.0
515.36957	0.7
525.35956	5.7
543.36841	75.9
544.37085	3.3
561.37683	3.2
564.54785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01870	2.3
55.05514	10.9
56.34001	0.5
57.03440	8.2
57.07038	1.6
59.04975	0.9
65.03914	1.4
67.05508	36.4
68.08193	0.4
69.03391	1.5
69.07069	11.1
69.46349	0.4
71.04958	1.6
73.02884	0.7
79.05497	32.5
81.03378	1.7
81.07059	37.0
83.04980	3.0
83.08625	8.4
85.02892	0.8
85.06521	1.7
91.05483	12.4
93.07047	44.9
94.07335	0.5
95.04983	4.6
95.08611	41.2
97.02916	2.6
97.03430	0.5
97.06530	3.5
97.10130	1.8
99.04477	2.8
99.76859	0.4
103.05426	0.8
105.04530	0.5
105.07040	10.9
107.04951	5.2
107.08595	26.0
109.06463	1.9
109.09489	0.8
109.10164	11.0
111.04415	1.2
111.08058	1.4
115.05486	0.6
117.07024	6.8
119.07832	0.8
119.08590	11.7
121.06510	3.9
121.10149	17.2
123.08041	0.9
123.11688	2.9
125.05952	1.9
125.09536	0.5
129.06958	0.6
130.07758	1.2
131.08597	4.1
133.10143	5.6
135.08043	1.7
135.11697	36.7
137.09576	0.5
139.07536	0.9
143.08548	1.3
145.10126	19.8
147.11644	2.2
149.13225	3.2
153.12738	0.9
155.08525	0.8
157.10159	0.7
159.11722	2.7
161.13271	2.2
163.11183	41.8
163.14783	1.3
171.11703	0.8
173.09601	1.1
173.13248	1.7
175.14845	0.6
177.12700	0.8
177.16365	0.5
181.12250	7.3
184.07303	1.2
187.14865	1.2
209.11639	1.2
227.12784	47.3
243.21127	2.2
261.22189	6.0
265.14322	0.6
274.28714	0.5
283.15405	51.8
284.15793	0.9
317.24741	2.1
335.25812	100.0
336.26126	2.1
349.23514	0.6
355.14777	0.5
543.36829	85.7
544.37079	3.1
599.50513	0.7
607.77838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
53.56991	0.6
53.96504	0.7
55.01875	3.4
55.05273	1.0
55.05515	13.8
57.03445	10.2
57.07078	1.2
59.04987	1.1
61.02922	1.8
65.03935	2.1
67.05508	42.0
69.03436	1.7
69.06728	1.2
69.07072	12.5
69.61433	0.8
71.05000	3.7
71.52679	1.2
73.02914	1.4
77.03870	0.9
79.05494	37.3
81.03420	2.7
81.07059	42.5
83.04982	5.1
83.08626	12.4
85.02910	2.3
85.06557	2.1
86.09710	1.6
91.04915	0.9
91.05484	17.1
93.06165	1.3
93.07048	52.5
95.04964	8.5
95.08609	57.3
97.02895	4.3
97.06538	5.0
97.10141	2.1
97.85460	0.7
99.04465	4.3
105.04522	1.7
105.07025	11.6
107.04983	8.8
107.08597	35.7
109.06549	2.4
109.10168	12.8
111.04424	1.4
111.08099	2.0
113.09666	0.8
115.05448	1.3
117.07022	12.7
119.08591	16.0
121.06512	5.8
121.10152	22.9
123.08037	2.1
123.11710	3.6
125.05991	4.2
129.07008	1.5
130.07803	2.0
131.08582	6.2
133.10143	7.1
135.08090	2.4
135.11697	56.3
136.11945	1.0
137.09647	1.2
139.07544	1.3
143.08511	1.1
145.10127	32.1
147.11716	3.7
149.09651	0.9
149.13249	3.4
153.12708	1.2
155.08545	1.2
159.11726	2.1
161.13263	2.6
163.11188	61.5
164.11621	1.0
171.11749	0.9
173.09669	1.7
173.13339	1.9
175.14731	1.3
181.12250	13.3
184.07359	1.9
197.44820	0.9
209.11670	2.2
227.12785	74.9
243.21082	2.5
261.22214	8.8
283.15405	100.0
284.15771	2.2
306.27853	1.4
317.24820	2.2
335.25812	94.7
336.26236	1.8
407.08179	0.8
517.79706	0.9
543.36816	87.1
544.37152	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	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01874	13.9
55.05276	3.3
55.05519	50.9
57.03442	17.3
57.07060	2.4
61.02916	2.1
65.03928	6.6
67.05509	66.7
69.03094	2.7
69.03435	26.0
69.06794	2.1
69.07082	23.4
70.06583	3.8
71.04991	9.7
71.53223	3.6
72.08161	2.4
73.02922	3.4
79.05501	62.7
81.03427	100.0
81.07062	65.2
83.04990	40.3
83.08159	3.8
83.08626	45.6
84.08144	2.6
85.02904	20.7
85.06538	7.8
86.09688	7.3
91.05490	56.2
93.06483	3.9
93.07053	56.9
95.04378	5.0
95.04976	89.7
95.08617	31.4
97.02889	26.2
97.06524	13.8
97.10179	19.6
99.04456	12.0
99.08094	4.2
105.04490	2.7
105.07032	46.4
107.04975	16.7
107.08598	49.1
109.02914	11.5
109.06526	20.4
109.10154	17.3
111.04453	22.3
111.08100	19.3
113.05989	6.6
115.05441	3.3
117.07012	17.8
119.08591	44.8
120.08105	2.2
121.06499	8.6
121.10162	28.7
123.08068	13.7
123.11719	5.0
125.05945	4.9
125.09655	12.4
127.03936	10.8
128.06267	3.4
129.05489	6.5
129.07033	12.6
131.08582	28.9
133.06540	6.4
133.10135	29.4
135.08063	11.9
135.11665	11.1
137.09662	7.9
139.11163	3.5
142.07849	4.6
143.08557	7.2
145.06464	3.3
145.10138	28.3
147.08046	11.7
147.11697	26.0
149.05945	2.1
149.09630	31.4
149.13162	3.3
151.11214	3.5
155.08563	5.1
157.10117	17.5
159.08096	3.1
159.11702	15.6
161.09583	7.1
161.13306	3.1
163.11195	33.8
165.12744	4.8
167.10718	2.4
169.10065	4.8
171.07961	2.4
171.10217	3.1
171.11703	8.5
173.04480	5.1
173.09595	6.7
173.13217	3.2
175.11174	16.9
177.12781	7.1
179.10747	2.8
181.12241	4.5
183.11627	2.4
184.07355	3.1
185.13283	3.1
187.11191	5.6
187.14925	2.9
189.11212	13.3
189.12727	3.7
191.10721	5.1
193.12247	35.0
201.12816	2.9
205.12285	4.4
211.13310	52.6
223.13274	33.3
227.12785	7.9
229.19540	3.5
239.18019	3.2
249.14999	2.4
257.18976	8.5
267.15897	36.5
269.17468	5.3
273.18607	6.8
275.20087	51.7
283.15430	2.8
285.16949	16.8
291.19501	18.5
293.21060	36.2
337.16385	3.8
339.70972	2.1
347.22327	3.4
349.23792	18.3
355.17419	7.8
365.23032	5.1
367.16916	2.1
367.24850	56.5
411.20013	5.8
413.21979	2.5
429.15988	2.9
429.21320	45.3
463.81091	2.5
475.26791	2.6
493.27679	2.7
541.35223	18.0
559.36377	58.7
577.37524	48.1
616.76947	2.3
703.40686	11.0
721.41718	43.0
739.38367	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73705	0.6
53.03946	4.3
55.01867	1.9
55.05272	1.1
55.05515	14.7
57.03437	7.8
57.07076	0.9
61.02924	0.9
65.03947	2.2
67.05509	49.4
69.03436	1.2
69.04880	0.6
69.07072	10.4
69.25216	4.0
69.25632	1.7
71.04993	1.8
73.06565	1.3
73.75704	0.6
77.03893	1.3
79.05497	56.1
80.01794	0.6
81.03426	4.7
81.07060	42.5
83.04983	9.5
83.08628	6.1
85.02913	1.2
85.06554	2.1
91.05485	35.3
92.05820	0.7
93.07048	55.6
95.04974	10.1
95.08611	32.0
96.28548	0.7
97.02892	1.3
97.06532	4.0
97.10192	2.6
97.14156	0.6
99.08079	1.0
103.05526	0.7
105.04523	1.3
105.07038	28.2
107.04967	2.9
107.08607	17.5
109.06549	4.1
109.10160	9.9
111.08099	1.3
115.05479	1.1
117.07014	6.6
119.08583	18.7
121.06506	1.4
121.10134	10.5
121.11533	0.9
123.08082	3.7
123.11729	2.5
127.37643	0.7
128.06268	1.5
129.07014	8.9
131.08589	5.3
133.10143	8.4
135.11708	7.1
137.09624	0.9
143.08566	5.3
145.10130	8.1
147.08006	1.3
147.10524	1.1
147.11696	19.8
149.13261	2.4
153.12845	0.8
156.09418	1.1
159.11728	2.5
161.09644	2.3
161.13257	7.3
163.11214	1.0
163.14810	1.6
169.10181	0.7
171.11702	13.0
173.13281	2.0
175.14870	0.8
181.63081	0.6
189.12755	4.2
207.13805	12.1
225.14815	0.7
243.21194	2.2
261.22171	5.2
279.15979	1.8
281.17484	47.1
317.24802	1.0
335.25806	41.4
336.26157	0.8
467.35065	0.7
541.38916	100.0
542.39185	4.1
559.40338	2.2
661.33771	0.9
726.15240	0.7
738.44128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58225	0.3
55.05490	0.4
55.46117	0.2
56.05028	0.5
58.06589	0.5
58.20859	0.3
60.07888	0.4
60.08166	5.9
67.05489	1.0
69.07069	0.3
70.82708	0.5
70.83047	0.4
71.07380	3.2
72.86612	0.2
74.09713	0.4
79.05498	0.5
81.07046	1.2
84.84247	0.3
86.09707	27.7
91.05484	0.9
93.07056	0.6
95.08572	0.2
96.51077	0.2
98.97865	0.3
98.98468	2.5
104.10752	1.7
105.06981	0.5
112.97585	0.2
113.75542	0.2
119.08567	0.5
121.00824	0.3
125.00006	18.8
131.08537	0.3
133.10120	0.5
184.07343	100.0
185.07671	0.3
352.95120	0.2
481.38785	0.4
539.43298	0.6
555.04114	0.3
595.46887	0.8
704.48608	13.3
705.48340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01874	16.4
55.05514	36.6
57.03442	15.0
59.05001	1.9
61.02929	2.1
65.03943	4.7
66.04079	1.0
67.05511	53.7
68.05834	1.0
68.83487	0.9
69.03088	1.5
69.03434	20.0
69.06339	0.9
69.07075	20.5
69.07430	2.2
70.01836	1.0
70.06596	1.7
71.04993	9.1
71.53407	1.8
73.02927	1.1
73.21925	1.0
75.28411	1.2
77.03925	2.0
79.05499	57.0
80.05824	1.2
81.03423	100.0
81.07063	91.2
82.03730	1.4
82.07429	1.4
83.04491	1.8
83.04987	35.8
83.08156	2.1
83.08626	31.2
85.02431	1.9
85.02912	23.9
85.06548	3.8
86.09696	2.1
91.05489	48.0
93.07051	41.8
95.01321	1.6
95.04978	38.3
95.08614	23.1
97.02898	20.2
97.06538	13.2
97.10181	23.8
99.04466	9.1
99.08099	3.7
101.02381	1.1
103.03998	0.9
103.05479	2.2
105.04533	2.1
105.07040	37.5
107.04969	18.3
107.08598	28.4
108.08968	1.4
109.02899	14.8
109.06525	16.6
109.10163	16.8
111.03715	1.9
111.04452	27.0
111.08090	18.1
113.05979	1.7
115.05456	3.8
116.06218	1.6
117.07028	14.5
119.04940	1.7
119.08595	36.1
119.48579	1.0
121.06516	14.2
121.10153	20.3
123.04426	4.5
123.08075	27.1
123.11729	3.9
125.05980	3.7
125.09641	20.1
127.03926	11.6
128.06216	2.6
129.05475	4.5
129.07018	14.8
131.04939	2.6
131.08572	22.3
133.06555	6.5
133.10138	14.3
135.04459	1.8
135.08067	8.6
135.11705	10.0
137.05997	3.7
137.09624	9.3
139.07504	1.4
139.11159	1.0
141.06985	1.4
142.07756	3.1
143.08591	5.8
145.06500	4.2
145.10127	17.5
146.10437	1.7
147.04427	1.1
147.08066	14.1
147.11700	19.2
149.05986	1.7
149.09624	12.2
149.13278	1.7
151.03951	1.4
151.07593	1.3
153.09131	2.7
153.12750	10.8
155.08577	4.0
157.10141	19.1
159.08026	3.7
159.11688	7.3
161.09641	9.2
163.11198	22.8
165.09151	5.4
165.12755	4.1
167.08521	1.6
169.10098	1.8
171.07971	1.5
171.10283	1.8
171.11726	4.0
173.04424	1.3
173.09627	6.2
173.11809	1.3
173.13280	1.2
175.11220	17.2
177.09102	1.9
177.12781	2.3
181.10112	2.5
181.12260	11.5
183.11682	2.0
184.07310	1.5
185.05907	1.1
185.09714	2.2
185.13240	3.2
187.11186	3.6
189.09167	1.4
189.11217	10.0
189.12817	3.0
191.10680	10.8
193.10460	1.9
193.12254	39.8
195.11777	1.7
197.09647	1.6
199.11209	1.7
199.14854	1.2
205.12254	3.6
209.11736	4.4
209.13445	1.2
211.13289	54.0
213.12788	1.7
223.11357	1.3
223.13266	5.4
227.12784	22.4
227.17857	1.8
229.14368	2.4
245.19011	2.2
247.13304	1.9
249.14888	4.6
255.17480	3.8
265.14484	2.6
267.13342	1.7
267.15927	17.1
268.16193	1.9
273.18491	32.6
275.20071	2.4
283.15387	8.7
284.15747	1.2
285.16928	21.1
289.18051	1.5
291.19559	65.9
301.16599	1.6
309.20654	5.0
313.21445	1.3
315.19550	1.6
319.15656	1.5
331.22754	1.2
337.16290	1.4
347.22281	8.6
355.17572	6.3
365.23267	35.8
366.23151	1.2
381.20691	2.3
383.23926	1.5
389.23230	1.5
399.21558	2.0
411.20181	7.5
417.22845	2.4
427.19516	1.7
428.19977	3.0
429.21198	22.5
435.24011	1.6
455.24554	1.7
458.26721	1.2
459.27606	3.0
465.30173	2.5
475.26617	1.2
476.27255	4.2
477.28491	1.3
483.31100	2.3
493.27826	3.8
494.28214	3.7
539.33862	5.8
557.34766	27.7
575.35767	32.7
593.36768	5.1
620.31183	1.3
637.31903	1.4
638.32770	6.1
659.38190	1.9
665.36340	2.1
683.37708	3.7
701.38892	8.3
719.40100	29.9
720.40527	1.6
737.41193	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	736.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01875	12.3
55.05513	19.0
57.03437	14.6
59.04994	3.5
61.02919	3.6
65.03946	2.6
67.05507	40.5
69.03433	16.0
69.07073	14.8
70.06580	4.8
71.01354	1.7
71.05002	12.1
72.08167	2.3
73.02917	2.0
79.05499	44.8
81.03422	100.0
81.07059	43.7
82.03725	1.9
83.04983	31.5
83.05464	2.9
83.08624	28.2
84.08157	2.8
85.02907	25.6
85.06512	3.0
86.09708	4.7
88.25838	1.5
91.05488	49.2
93.07047	39.0
94.07397	2.2
95.04974	29.7
95.08610	23.9
97.02888	14.3
97.06525	8.3
97.10173	5.8
99.04463	6.9
105.07030	27.9
107.04961	30.8
107.08592	19.6
109.02908	10.1
109.06519	8.6
109.10128	8.5
111.04455	17.7
111.08078	10.9
113.06023	2.0
117.06985	12.4
119.04983	1.9
119.08591	29.2
121.06483	7.7
121.10150	19.2
123.04420	2.1
123.08059	8.8
123.11692	2.6
125.09637	5.1
127.03905	12.9
128.06213	2.1
129.05508	2.0
129.06998	13.3
131.08565	14.4
133.06514	4.8
133.10112	17.8
135.08046	3.8
135.11696	18.1
137.09604	3.2
142.07733	4.0
143.08545	3.8
145.06482	2.8
145.10130	18.2
147.08026	6.1
147.11681	16.4
149.09576	10.1
153.12770	14.1
155.08542	4.5
157.10139	11.8
159.11737	2.3
161.09657	3.9
163.11168	25.6
165.09285	1.7
165.12766	3.0
173.04555	1.6
173.09644	6.4
175.11205	14.9
181.12286	11.0
184.07309	8.4
187.11124	1.7
189.09027	2.1
189.11279	3.0
191.10683	9.9
193.12245	33.2
209.11694	4.4
211.13292	49.9
227.12743	18.1
229.14388	2.5
247.13133	2.1
260.77344	1.7
265.14456	10.9
267.15933	37.8
273.18573	1.9
277.14490	1.8
283.15405	17.8
285.16974	45.9
287.57172	2.0
289.17932	2.8
299.18420	2.3
307.15497	1.9
307.35040	1.9
349.23917	3.1
353.15936	6.9
355.17694	1.7
383.22092	4.3
389.23447	2.1
399.21957	2.0
407.24396	3.7
427.19666	32.0
457.25845	13.2
475.26959	41.8
493.21313	2.9
493.28000	44.2
619.30981	18.1
637.32214	78.0
638.32336	3.3
655.32831	7.2
736.39771	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	735.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.8
55.01870	17.7
55.05513	38.4
57.03436	15.8
59.04999	2.0
61.02909	6.3
65.03931	4.2
67.05507	93.9
69.03428	18.2
69.07068	29.0
69.40219	3.2
69.40630	6.5
69.87431	1.4
70.06580	2.2
71.04990	8.8
73.02896	2.2
73.06535	1.6
76.56184	1.4
77.03929	2.3
79.05494	100.0
81.02928	1.8
81.03419	36.2
81.07057	93.8
83.04982	22.1
83.08618	17.0
85.02911	13.4
85.06543	5.0
90.05018	1.3
91.05483	96.3
93.07046	91.5
93.07563	1.6
94.07307	1.4
95.04968	30.4
95.08607	50.4
97.02898	10.3
97.06530	23.7
97.10168	14.8
99.04433	5.6
103.03939	1.6
103.05515	2.4
105.04516	3.6
105.07033	74.8
107.04956	22.5
107.08599	45.2
109.02855	5.0
109.06522	18.5
109.10159	27.6
111.04425	3.7
111.08087	7.2
113.05987	1.9
115.05463	4.5
116.06195	1.4
117.07011	31.3
119.04945	2.2
119.08582	52.4
121.06519	9.5
121.10149	22.5
123.04448	2.5
123.08076	8.8
123.11716	5.4
125.05991	1.4
125.09635	9.1
127.03928	8.4
127.07569	2.2
128.06190	6.5
129.05489	2.2
129.07010	25.7
130.07735	1.9
131.04948	2.1
131.08574	32.0
133.06531	8.1
133.10130	34.9
135.08073	9.4
135.11694	10.4
137.09615	5.9
137.13293	1.9
141.06982	6.1
142.07784	3.2
143.08562	16.5
145.06464	5.0
145.10129	35.9
147.08037	7.7
147.11691	47.3
149.09628	18.5
149.13275	5.4
151.11168	3.5
153.06960	1.9
153.09100	2.4
153.12799	1.6
155.08551	5.7
155.10713	1.7
156.09354	2.1
157.06464	2.4
157.10139	11.2
159.08037	3.2
159.11703	20.0
161.06068	1.6
161.09634	7.0
161.13284	15.0
163.11177	11.2
165.12733	3.6
167.08562	4.2
169.10104	4.2
171.08084	3.1
171.10265	2.5
171.11685	26.2
173.04495	6.6
173.09622	2.3
173.11859	2.5
173.13249	8.9
175.11256	3.3
175.14839	1.4
177.12697	4.2
179.14262	4.8
181.10101	2.7
183.11722	6.2
185.13275	4.6
187.11165	4.0
189.11177	5.4
189.12749	10.1
191.14316	1.9
195.11688	3.8
197.09659	1.6
197.13295	4.0
199.14882	3.1
201.12730	2.3
205.12204	2.4
207.11874	3.0
207.13779	23.8
209.13310	2.4
211.11307	1.6
211.14812	2.2
215.18004	2.2
217.15956	2.6
219.13751	1.8
225.14828	2.5
227.12782	15.1
229.14328	6.0
229.19563	4.5
231.13753	1.9
233.13165	1.6
239.17891	5.8
241.15874	3.6
247.20508	4.9
257.18982	16.6
259.16934	2.5
263.16278	1.7
267.62338	1.7
269.15369	3.7
273.18423	2.2
275.20074	76.4
276.20404	3.2
279.16052	2.3
281.17474	73.7
282.17615	1.6
287.16397	5.5
291.19595	2.9
293.21103	6.6
298.68542	1.4
331.22461	3.8
349.23761	33.8
361.20132	2.3
367.24789	12.1
377.23270	3.1
407.20642	2.1
425.21564	5.5
435.27475	20.3
451.26968	8.2
459.31039	4.6
475.30667	15.5
497.32657	2.0
527.37476	2.7
537.35779	7.9
555.36871	71.9
556.37396	2.1
573.38068	19.7
619.34766	3.3
625.40576	2.2
635.39233	2.2
653.40472	4.6
681.39655	2.3
699.40338	3.0
717.41418	5.5
735.41565	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	735.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.8
55.01876	12.7
55.05513	70.3
57.03443	17.4
57.07084	2.1
65.03941	5.3
67.05507	81.5
69.03437	19.7
69.07074	27.8
70.06587	6.2
70.68359	2.9
70.68720	4.0
71.04993	7.9
71.42853	1.9
73.06557	3.0
77.03954	3.0
79.05495	100.0
81.03422	47.4
81.07056	75.5
81.07533	4.3
83.04988	24.2
83.08152	3.4
83.08624	51.8
85.02911	13.6
85.06534	3.7
86.09701	3.7
91.05485	91.3
93.07047	86.8
93.07646	3.5
95.04970	80.0
95.07997	2.4
95.08607	51.0
97.02888	12.8
97.06526	13.6
97.10173	10.7
99.04479	9.3
99.08091	3.7
100.37219	1.7
101.02406	1.7
103.05453	4.7
103.40765	1.8
105.04521	3.6
105.07035	76.0
107.04957	28.1
107.08596	46.6
109.02907	6.1
109.06524	16.2
109.10153	18.1
111.04463	10.4
111.08090	9.7
115.05459	5.9
116.06239	1.9
117.07020	32.1
119.04955	1.7
119.08583	51.5
121.06524	15.0
121.10158	24.2
123.04440	2.7
123.08044	12.3
125.06041	2.6
125.09617	14.4
127.03912	7.9
128.06239	7.3
129.05550	3.4
129.07018	28.9
131.04935	3.4
131.08582	30.6
133.06508	9.2
133.10136	30.9
135.08076	12.4
135.11702	14.8
137.09607	5.1
139.11168	2.5
141.06989	5.3
142.07826	2.9
143.08559	21.1
143.94029	1.8
145.06497	8.8
145.10130	38.4
147.08055	7.4
147.11703	34.9
149.06042	2.1
149.09622	28.8
149.13316	4.4
151.11189	4.3
152.34557	1.9
153.12782	2.4
155.08530	7.2
156.09317	2.0
157.06491	4.3
157.10095	10.6
159.08073	7.6
159.11691	17.1
161.05962	1.9
161.09627	8.0
161.13257	13.0
163.07527	2.0
163.11191	34.1
165.09062	2.2
165.12762	6.1
167.08595	3.5
168.09300	2.0
169.10097	6.2
171.08005	4.6
171.10283	3.8
171.11673	24.4
173.04509	8.4
173.09657	3.9
173.13307	9.1
175.11217	4.8
177.12804	2.5
179.14392	4.2
181.10114	5.2
183.08115	2.4
183.11705	4.5
185.09645	4.2
185.13275	3.4
186.84982	2.0
187.11215	6.5
187.14801	2.7
189.09229	1.7
189.11166	5.8
189.12794	11.5
189.40178	1.8
191.10695	1.9
193.12317	3.8
197.13283	4.9
201.12862	3.5
203.14294	1.8
205.12256	6.3
207.13838	24.6
209.13242	3.8
211.14948	2.4
215.14319	2.1
219.13867	2.8
221.15308	2.3
223.13223	29.8
229.15955	2.0
229.19463	4.3
231.13789	2.5
233.13301	2.0
239.17976	5.0
241.15901	5.1
247.20586	4.6
251.14281	2.3
257.19034	15.6
259.17004	2.6
265.18152	2.5
269.15329	8.1
273.18640	2.7
275.20065	84.9
276.20483	2.5
279.15970	4.0
281.17487	56.6
282.17651	2.3
287.16327	14.7
291.19632	2.2
293.21127	27.0
305.17667	3.1
309.17529	2.0
323.18649	1.9
331.22702	4.1
343.18961	3.6
349.23752	33.7
351.18158	4.0
361.20023	6.1
367.24866	25.7
379.21210	2.4
389.19742	2.2
407.20917	3.4
425.21735	16.8
470.15140	1.8
475.30869	2.3
555.36884	54.9
573.37885	35.2
587.39362	2.8
597.38013	2.3
615.38965	3.0
635.39111	3.1
653.39935	4.2
699.40942	3.1
717.41968	9.3
735.43396	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	735.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.1
54.94664	2.0
55.01874	22.9
55.05516	42.5
57.03442	17.1
62.81678	2.3
65.03937	4.2
65.98045	2.1
67.05505	66.0
69.03083	3.1
69.03436	26.3
69.07075	25.4
70.06594	12.1
70.12945	9.3
70.13291	2.5
71.05009	11.2
73.02885	3.1
73.40286	2.2
76.68383	2.0
79.05496	69.5
81.03423	70.0
81.07059	100.0
83.01361	4.1
83.04972	27.7
83.08613	21.9
85.02911	18.3
85.06542	5.3
86.09705	12.2
87.04449	3.3
91.05489	49.0
93.07048	54.4
95.04969	31.8
95.08604	28.8
97.02877	20.5
97.06516	16.6
97.10175	23.2
99.04469	10.5
99.08043	3.4
105.07026	39.7
107.04971	21.1
107.08595	40.8
109.02864	20.9
109.06513	17.3
109.10167	21.2
111.04442	26.1
111.08079	14.8
115.05465	3.6
115.28597	2.1
117.07016	25.4
119.08582	35.7
119.09921	2.6
121.06515	17.7
121.10130	21.2
121.47662	2.3
123.04427	4.9
123.08074	26.2
123.11720	3.0
125.06050	2.6
125.09637	20.5
125.84231	2.5
127.03901	16.7
128.06258	3.3
129.06982	13.5
130.07744	4.2
131.04944	5.0
131.08574	23.7
133.06464	6.9
133.10117	15.3
135.08052	9.3
135.11674	22.9
136.07596	3.9
137.09610	7.6
143.08595	11.4
145.06500	7.7
145.10138	28.7
147.08038	12.9
147.11690	12.3
149.05986	3.6
149.09622	10.0
153.09064	3.1
153.12720	16.9
155.08487	4.4
157.06435	3.2
157.10135	7.7
159.08049	5.6
159.11691	10.8
161.09612	10.9
161.13269	5.3
163.07420	4.3
163.11220	36.4
165.09111	5.7
167.08530	3.7
169.10042	4.3
171.11679	6.7
173.04498	3.8
173.09592	11.7
173.13272	3.5
175.11148	6.4
177.12688	4.6
181.10068	2.2
181.12230	16.6
183.11758	2.9
184.07359	2.5
185.09634	3.9
185.13420	2.7
187.07587	2.6
187.11171	3.5
189.09453	3.2
189.11234	15.6
189.12793	4.0
191.10614	11.4
193.12256	8.7
194.09209	2.6
195.11772	3.2
196.90733	2.2
199.11179	3.3
205.12230	4.6
207.13791	6.5
209.11752	4.6
211.11285	3.1
211.13293	6.3
223.13272	6.9
227.12758	36.6
227.17670	2.6
229.14291	4.0
271.08078	2.9
271.13168	2.3
273.18518	29.2
275.20013	10.3
279.16006	3.5
281.17465	7.8
283.15393	20.3
289.18060	2.7
291.19528	62.5
309.20383	4.8
329.21362	3.8
333.20886	2.6
347.22272	7.5
349.23727	5.2
353.16031	6.4
365.23312	25.7
399.21686	2.9
409.18201	3.1
427.19696	30.4
435.27707	3.5
499.30106	2.6
512.44049	2.7
555.32642	16.7
573.33771	22.5
699.37018	8.0
717.38574	33.6
735.39301	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	732.489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03943	3.5
55.01877	1.4
55.05511	18.5
56.05045	0.8
57.03436	9.9
57.07075	2.0
59.05003	3.8
60.61351	0.4
61.02917	1.2
65.03951	3.7
67.05504	100.0
69.03079	0.9
69.03431	11.7
69.03776	1.0
69.07069	11.8
71.01339	0.8
71.04991	5.4
71.08603	0.5
73.02918	1.3
77.03936	0.6
79.05492	27.7
81.03417	14.0
81.03865	1.0
81.07055	43.8
83.04974	11.7
83.08621	9.3
85.02912	3.0
85.06549	3.1
87.04478	1.0
91.04906	1.0
91.05481	20.3
93.06560	0.6
93.07042	32.8
95.04977	5.5
95.08607	33.5
96.91031	0.4
97.02888	5.9
97.06530	2.0
97.10182	4.8
99.04481	2.3
99.08094	1.2
103.03949	0.6
105.04536	1.0
105.07029	10.6
107.04967	1.0
107.08595	17.9
109.02889	3.5
109.06523	1.5
109.10156	66.0
110.10469	0.8
111.04447	5.5
111.08072	3.4
113.05971	0.7
117.07007	5.2
119.08580	14.5
121.06582	1.1
121.10144	15.0
123.08097	1.3
123.11702	2.5
125.09599	4.1
127.03928	6.3
129.05473	5.9
129.07014	1.5
131.08566	7.5
133.06496	0.5
133.10127	6.6
135.08098	1.1
135.11684	8.4
136.01230	0.5
137.09621	3.5
137.13220	1.0
139.11179	0.9
142.12271	0.5
143.08578	1.4
145.06514	0.8
145.10127	6.3
147.08060	0.6
147.11702	4.2
149.09662	1.1
149.13255	3.5
153.09160	0.5
154.12280	1.9
155.08458	0.6
155.10646	4.7
157.10083	1.1
159.11691	3.9
161.09615	0.8
161.13266	2.8
163.11194	1.0
163.14873	1.5
165.12769	0.5
169.10123	0.6
171.11722	1.5
173.04475	0.7
173.11754	12.9
173.13289	3.8
175.11191	0.8
175.14847	1.0
183.11790	0.6
184.07443	1.3
185.13260	0.8
187.11134	0.7
187.14906	1.4
189.11272	1.7
197.13385	0.7
199.14873	0.8
209.11647	1.0
211.11331	0.6
211.15041	0.6
223.14848	0.5
227.12711	2.8
229.14339	18.0
243.21097	1.7
245.13850	0.9
253.14107	0.6
259.20718	1.2
261.22168	5.6
271.15521	0.7
273.22101	0.9
277.21600	1.0
299.14841	4.1
301.21625	1.1
315.23181	0.9
317.24698	1.6
319.22809	0.5
327.23190	0.7
335.25793	76.7
336.26270	2.0
337.27316	1.0
341.24606	0.6
345.24390	0.6
351.23019	1.1
353.24896	1.0
355.17551	1.5
369.24280	3.8
371.16711	0.7
371.25839	0.6
372.15649	0.5
373.18561	30.8
373.57013	0.7
374.19125	0.7
387.25211	3.2
397.31299	0.7
405.26422	2.1
425.26840	0.7
443.27951	1.5
461.29111	1.9
471.35217	1.1
479.30017	1.4
487.33948	1.2
489.35742	71.2
490.36206	2.4
505.34888	0.7
506.38342	5.6
507.37006	1.1
543.37903	0.5
559.36182	1.4
573.37408	0.6
597.37982	3.8
615.38745	3.8
633.39978	32.2
634.40326	1.4
651.41199	5.0
668.43304	3.3
732.43463	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	730.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.6
57.07077	31.0
59.04995	0.8
67.05490	0.8
69.07066	5.1
70.98590	1.2
71.08630	28.8
73.02927	0.9
73.06552	8.9
73.81141	0.5
79.05470	0.6
81.07066	1.1
83.08618	5.2
83.40778	0.5
85.10184	18.1
86.09700	1.4
87.04472	9.6
88.82395	0.7
89.06030	100.0
90.06349	0.8
91.05479	0.6
91.07580	1.1
93.07019	0.8
95.08634	1.0
96.84171	0.5
97.10177	6.6
99.11749	2.1
107.07083	2.3
111.11716	3.3
113.13298	1.3
117.09136	9.3
119.08565	0.5
125.00024	0.8
125.13287	2.7
127.13943	0.5
127.14848	1.9
130.08644	3.6
131.07085	2.7
133.08604	53.2
134.09064	0.5
135.10162	0.9
135.11694	0.5
139.14828	0.7
141.16339	1.1
155.17972	0.8
161.11732	2.4
175.09694	2.0
177.11224	24.5
183.11891	0.5
184.07341	4.6
211.24263	2.2
219.12161	0.8
221.13815	6.2
239.15005	0.8
255.26862	3.2
265.16550	2.1
283.17471	1.7
299.29453	8.9
309.19131	1.5
327.20184	0.8
331.08502	0.6
343.32050	5.2
361.39355	0.6
415.25140	0.8
459.28613	0.5
503.30429	2.6
551.65710	0.7
558.02136	0.6
713.54395	5.9
730.56940	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	730.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80139	0.6
55.01872	3.2
55.05514	5.2
57.06832	0.7
57.07083	9.8
60.08155	2.1
62.06089	0.8
67.05503	7.4
69.07073	4.4
71.07374	1.5
71.08634	5.8
71.53308	0.9
75.41172	0.5
78.83110	0.5
79.05505	5.2
81.07063	22.4
83.04977	2.7
83.08614	3.7
85.10205	3.2
85.10666	0.5
85.60236	0.6
86.09711	10.5
91.05474	1.8
93.07053	4.3
95.08611	8.8
97.06570	1.0
97.10192	1.5
98.98470	1.9
104.10730	0.8
105.07036	2.4
107.08634	3.5
109.06519	7.8
109.10178	4.3
111.04453	14.9
111.08070	0.8
119.08566	2.9
121.10139	3.7
123.08097	1.3
123.11697	1.9
125.00028	10.3
125.06004	3.6
131.08565	1.4
133.10126	3.5
135.08055	2.5
135.11694	4.1
137.05988	80.8
137.13261	2.0
138.06383	0.7
139.07567	0.9
145.10141	1.4
147.08054	1.1
147.11684	6.2
149.09625	4.0
149.13197	0.7
151.07564	1.1
151.11145	1.1
157.10147	1.8
159.11726	0.6
161.09622	5.6
161.13297	2.0
163.11244	3.0
165.09146	1.4
165.12737	0.9
167.10689	0.9
171.11685	0.9
175.11212	4.4
175.14755	0.8
179.10706	2.0
184.07355	40.8
185.13307	0.7
189.12839	1.2
193.12283	1.0
203.18016	4.9
213.16396	2.8
221.19087	1.4
223.14946	0.6
231.17442	6.6
231.22890	0.7
241.16000	1.3
249.18530	5.3
276.19540	0.9
277.18018	31.5
278.18466	0.7
282.27905	1.8
295.19031	5.2
313.27423	2.3
320.22275	4.5
351.21713	2.0
454.29446	1.0
533.41785	0.9
589.44641	100.0
590.45215	4.2
730.50360	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	730.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05038	0.7
56.47324	0.1
57.23875	0.1
58.06360	0.2
58.06622	0.5
60.08165	6.2
67.05502	0.8
69.07068	0.4
69.39918	0.5
69.40337	0.5
71.07372	3.1
76.80360	0.1
79.05485	0.3
81.03416	0.2
81.07060	0.8
86.09708	29.2
87.10049	0.2
91.05465	0.7
93.07021	0.3
95.04924	0.2
95.08611	0.4
97.10204	0.2
98.98473	3.1
104.10756	2.2
105.06194	0.1
105.07027	0.6
107.08587	0.2
109.06515	0.1
109.10170	0.3
112.93829	0.1
119.08589	0.4
120.00722	0.1
121.10120	0.2
124.68002	0.1
125.00011	20.9
125.41956	0.1
129.06996	0.1
133.10158	0.3
143.01093	0.2
145.10242	0.2
148.64818	0.1
159.11591	0.2
184.07344	100.0
185.07678	0.6
377.37097	0.2
468.31030	0.1
468.41595	0.1
663.51270	0.2
698.43884	0.2
730.46497	6.3
731.46313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.6
53.03952	6.7
55.01871	4.1
55.05280	1.9
55.05519	27.3
57.03196	1.7
57.03445	24.4
57.07072	4.2
61.02903	3.7
65.03931	4.9
67.05512	81.6
69.03431	2.8
69.06734	1.7
69.07079	29.1
71.01352	4.3
71.04997	6.2
71.08624	1.3
79.05500	85.9
81.03429	7.5
81.07066	61.2
83.04992	12.2
83.08630	10.9
85.02911	2.5
85.06548	8.5
86.09695	1.5
91.05489	80.6
92.05814	1.6
93.07053	100.0
93.31288	1.1
94.07386	1.6
95.04995	9.2
95.08616	33.2
95.86775	1.2
97.02903	3.0
97.06537	16.0
97.10178	11.6
98.20706	3.0
99.08096	4.5
103.05467	2.2
105.04488	2.9
105.07041	75.4
107.04943	5.8
107.08606	60.3
108.31018	1.2
109.06512	4.6
109.10166	19.3
111.04446	1.3
111.08080	3.8
113.09692	1.5
115.05470	2.3
117.07023	24.5
119.08591	72.6
121.06503	3.8
121.09333	2.1
121.10159	27.7
123.08092	3.6
123.11723	2.6
125.06017	4.3
125.09634	3.6
128.06226	2.9
129.05542	1.5
129.07002	13.7
130.07738	2.4
131.08574	27.2
133.06508	1.6
133.10146	55.6
135.08069	4.8
135.11707	61.4
137.09647	3.8
139.11169	1.8
142.07808	2.0
143.08591	13.1
145.10144	33.0
147.08046	2.4
147.11707	50.1
149.09621	3.1
149.13284	7.2
151.11206	3.5
153.12796	1.6
155.08568	1.7
157.10139	12.2
159.11707	20.5
161.09673	1.9
161.13286	29.8
163.11194	10.9
163.14771	3.2
169.10156	4.3
171.11705	14.3
173.13295	11.9
175.11263	2.0
175.14833	13.7
177.12755	2.0
181.12265	20.6
183.11710	2.5
184.07341	2.8
185.13275	14.2
187.14790	5.6
189.12756	2.4
189.16307	1.6
197.13205	1.7
199.13177	1.9
199.14833	6.4
201.16435	1.5
203.14261	1.5
211.14993	1.7
213.16434	3.1
215.18042	1.5
217.15997	2.1
217.19667	1.9
231.21101	7.8
241.19531	33.4
243.21169	2.0
253.14392	12.0
255.15930	84.6
257.19302	2.0
259.20599	91.2
261.22235	2.9
275.19983	1.6
277.21652	1.7
283.20624	1.9
291.19888	1.6
298.27359	1.3
315.23251	6.0
333.24283	43.4
333.28232	2.6
334.24542	1.6
421.30923	4.9
439.32129	4.6
457.32874	3.2
495.34439	3.9
503.37283	1.5
513.35809	71.9
514.36383	3.4
531.36859	23.9
728.38739	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23462	0.5
53.03933	1.8
55.01878	3.4
55.05271	0.6
55.05515	8.4
57.03450	4.8
57.07064	0.7
61.02934	7.1
65.03921	1.3
67.05507	19.2
69.03434	3.0
69.06741	0.8
69.07074	10.4
69.95905	2.7
70.06569	2.4
71.04967	2.0
71.08604	0.6
72.08120	1.0
73.02915	2.5
75.31038	0.5
79.05501	18.6
79.05965	0.9
81.03423	2.9
81.07060	45.2
83.04967	3.3
83.08170	0.7
83.08623	9.2
83.54568	0.6
84.04517	0.8
84.08121	1.6
85.02907	9.8
85.06517	1.8
86.09691	1.4
91.03968	7.8
91.05484	16.2
93.06488	1.1
93.07044	16.5
95.04976	7.1
95.08611	14.3
97.02895	5.0
97.06533	5.6
97.10180	1.1
99.04446	1.4
99.08073	2.3
103.05423	0.9
105.04526	0.6
105.07035	16.1
107.04947	4.9
107.08598	11.4
109.06525	18.6
109.10170	7.0
111.08095	3.2
115.03888	0.6
115.05421	0.7
117.07027	5.1
119.08587	14.9
120.08125	0.7
121.06503	3.6
121.09344	0.7
121.10155	10.9
123.04444	0.6
123.08070	4.1
123.11712	3.2
125.00065	0.6
125.09631	1.9
127.03899	1.7
129.07008	2.1
129.10172	0.8
131.08575	8.4
132.96159	0.5
133.06500	1.0
133.10144	12.9
135.08055	3.1
135.11713	5.2
137.06111	0.6
137.09618	3.0
141.07021	0.9
143.08577	1.7
145.04958	2.8
145.06508	0.8
145.10118	8.1
147.08055	1.1
147.11699	11.0
149.09624	8.0
149.13258	7.1
151.11185	3.2
155.08470	0.5
157.10109	2.8
159.08133	0.9
159.11716	8.0
161.09615	2.0
161.13258	3.0
163.06035	3.3
163.11205	7.1
163.14816	1.4
165.12727	3.3
167.10747	0.6
169.10126	1.0
171.11646	1.2
173.09570	1.6
173.13297	3.3
175.11188	2.2
175.14839	0.6
177.12766	2.7
179.14279	1.8
183.11702	1.4
184.07402	0.6
187.11140	1.1
187.14830	0.9
189.12794	0.8
191.10672	0.8
191.14316	0.7
193.12265	1.4
195.13831	0.8
197.13252	1.3
201.12778	1.0
207.13902	1.1
215.14264	0.7
215.17979	0.9
219.13710	0.8
229.14296	0.6
229.19577	2.3
239.18007	1.7
247.20537	3.8
251.16637	0.8
257.19104	3.8
263.53836	0.6
269.17490	7.7
275.20078	36.9
276.20587	0.9
281.76428	0.6
285.16873	0.9
293.21106	6.7
349.23746	100.0
350.24005	2.5
367.24808	99.5
368.25201	3.0
511.28513	2.6
529.30023	2.8
677.28845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05041	0.8
56.05276	0.1
58.06624	0.5
59.07390	0.1
60.08165	6.7
66.82887	0.1
67.05507	0.6
67.67020	0.1
68.35310	0.1
69.07059	0.2
69.16409	0.5
69.16837	0.5
70.06587	0.1
71.04971	0.2
71.07376	3.8
75.04467	0.3
79.05497	0.5
81.07059	0.8
83.08619	0.1
85.02926	0.1
85.06561	0.2
86.09708	32.7
87.10019	0.2
91.05487	0.4
93.07036	0.6
95.04987	0.3
95.08578	0.3
98.21561	0.1
98.98470	3.2
103.56634	0.1
104.10745	2.6
105.07038	0.4
107.08597	0.4
109.06481	0.1
109.10168	0.2
111.08082	0.1
114.06803	0.1
115.07567	0.2
119.08597	0.4
120.14876	0.1
121.10140	0.3
123.08141	0.2
125.00008	22.4
131.08534	0.2
133.10143	0.3
135.11668	0.2
139.90778	0.1
143.00948	0.1
143.08591	0.1
145.10106	0.2
147.08109	0.1
147.11754	0.2
149.13206	0.1
157.10104	0.1
166.02548	0.1
169.10040	0.1
184.07346	100.0
185.07759	0.6
203.14479	0.2
223.17192	0.1
255.23146	0.1
269.17526	0.2
335.25711	0.2
464.24228	0.2
520.33862	0.1
529.38885	0.4
648.75452	0.1
726.47058	6.6
727.47583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01879	3.5
55.05511	12.9
55.16893	0.4
57.03444	3.7
57.07076	0.7
61.02926	8.0
61.62196	0.4
62.96466	0.4
63.56441	0.4
65.03934	1.0
67.05505	17.6
69.03442	3.4
69.06732	0.6
69.07072	8.3
69.20621	0.4
70.06593	0.9
70.66953	0.8
70.67283	0.5
71.04996	2.1
73.02915	2.3
79.05022	0.5
79.05495	15.6
81.03422	2.6
81.07055	21.0
82.07406	0.5
83.04974	4.6
83.08620	17.2
84.08134	0.8
85.02909	9.0
85.06547	1.9
86.09705	1.1
86.52977	0.4
91.03960	7.5
91.04903	0.6
91.05481	17.8
93.07047	19.3
93.07634	1.1
93.76807	0.4
95.04969	9.9
95.08604	15.8
95.21082	0.4
97.02895	5.2
97.06521	3.6
97.10174	3.8
99.04441	0.7
99.08114	0.8
99.28742	0.4
105.04535	0.5
105.07035	20.8
107.04951	6.0
107.07877	0.9
107.08597	15.1
109.06531	3.8
109.10160	10.2
111.04444	1.1
111.08079	4.8
114.08150	0.5
115.05447	0.8
117.07023	7.3
119.08582	18.8
121.06509	5.2
121.10142	10.9
123.08064	4.3
123.11734	3.0
125.09635	4.3
127.03902	2.3
129.07028	2.7
129.10233	0.5
131.08562	11.7
133.06458	1.0
133.10132	19.2
135.08041	5.1
135.11694	6.0
137.09637	4.3
139.11174	1.3
141.06990	1.1
142.07722	0.4
143.08592	2.6
145.04980	2.0
145.06496	0.8
145.10124	17.3
147.08054	1.6
147.11687	9.7
149.09624	17.7
149.13254	2.1
151.11186	4.3
153.12743	0.9
155.08594	2.2
157.10124	3.2
159.11703	8.8
161.09657	2.3
161.13248	4.1
163.06021	2.5
163.11183	16.2
163.14780	0.7
165.09117	0.6
165.12759	3.2
167.10663	0.6
169.10173	3.0
171.11678	2.6
173.09682	2.2
173.13275	4.2
175.11188	2.2
175.14850	1.0
177.12794	2.5
179.10612	1.1
179.14334	0.5
183.11714	2.5
184.07379	0.6
185.11699	0.8
185.13235	1.1
187.11147	1.3
187.14766	1.2
189.11229	0.8
189.12779	1.0
191.10571	0.5
191.14320	0.9
193.12276	0.9
197.13278	2.3
201.12773	1.2
205.12228	1.1
207.13802	0.7
210.14011	0.7
211.14983	0.6
213.16434	1.2
215.14418	0.6
215.17970	1.1
223.13234	2.7
225.45880	0.4
229.19525	3.2
233.18977	0.7
239.18019	6.1
247.20499	2.5
257.19019	7.3
265.21674	0.6
275.20071	48.2
276.20529	0.9
293.21121	6.6
297.16965	0.5
349.23730	45.1
350.24091	0.9
367.24792	100.0
368.25253	2.5
385.25952	2.1
496.46878	0.5
511.28360	0.7
529.29803	1.2
543.03540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05024	0.7
58.06607	0.5
60.08165	6.1
68.34575	0.2
71.06564	0.3
71.07372	3.2
75.04463	0.7
75.81700	0.2
79.05496	0.3
81.07037	0.4
86.09707	30.5
91.05482	0.4
95.08578	0.2
98.98467	2.7
100.90247	0.3
104.10751	2.1
107.08634	0.3
115.07550	0.3
119.08614	0.3
125.00008	21.3
145.60069	0.2
166.02719	0.2
184.07343	100.0
185.07701	0.3
223.16899	0.4
349.19733	0.3
419.17609	0.3
439.48383	0.3
692.48578	12.7
693.48602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02702	1.2
53.03950	5.9
53.38887	1.2
55.01873	37.8
55.05515	45.0
56.34909	1.2
57.03444	10.6
57.07076	12.7
59.04998	2.2
61.02922	2.1
65.03937	6.2
67.05509	66.4
68.06301	1.3
68.99805	1.2
69.03433	13.0
69.07069	27.9
71.01348	2.3
71.05007	8.1
73.02905	2.9
75.00028	2.1
75.04458	2.0
77.03932	1.9
79.05497	71.8
80.06264	1.5
81.03426	16.3
81.07058	100.0
82.04189	2.8
82.07386	1.9
83.04990	26.9
83.08625	21.7
85.02916	6.0
85.06534	5.7
91.05483	54.2
93.03389	1.3
93.07048	58.4
94.04220	1.6
94.07833	1.5
95.01350	1.6
95.04972	36.6
95.08613	31.3
96.05743	3.9
97.02888	4.7
97.06537	14.7
97.10171	24.0
98.03678	1.5
98.07312	2.6
99.04430	3.4
99.08073	3.3
103.05434	2.7
105.03391	1.5
105.04519	3.1
105.07040	37.2
106.45492	1.3
107.04306	1.9
107.04963	22.6
107.08598	39.3
108.05736	2.2
109.02882	2.4
109.06519	25.3
109.10165	31.7
111.04440	12.1
111.08083	11.2
111.78553	1.2
113.06046	1.4
115.05433	3.3
117.01068	2.6
117.05474	3.4
117.07021	21.1
119.04926	2.3
119.08594	39.9
120.05728	1.9
120.09362	1.4
121.06520	15.7
121.10159	21.4
123.04451	6.8
123.08070	27.8
123.11702	1.6
125.05990	4.2
125.09634	25.4
127.07609	2.0
127.11224	5.6
128.06190	3.9
129.01057	1.4
129.05501	6.0
129.07021	10.9
130.07762	1.6
131.04922	1.4
131.08574	23.5
133.00500	1.6
133.06531	6.4
133.10144	20.1
134.10957	1.7
135.08061	17.3
135.11694	15.9
136.08885	2.1
137.05978	3.6
137.09618	37.3
138.10396	3.4
139.07492	1.8
139.11160	2.6
141.06976	1.9
142.07770	3.1
143.07069	2.2
143.08548	10.3
145.06474	3.9
145.10129	23.4
147.08034	14.3
147.11703	12.3
149.09613	18.5
149.13261	2.5
151.07564	4.9
151.11206	3.4
153.09088	7.7
153.12732	3.7
155.06123	1.3
155.08549	3.7
155.10674	2.7
156.09349	1.3
157.08710	2.5
157.10126	8.8
158.05745	5.6
159.08049	4.2
159.11684	10.5
161.09627	15.8
161.13246	3.4
163.07503	2.5
163.11197	25.2
165.09093	7.1
165.12787	3.3
167.08543	1.8
167.10684	2.5
169.10104	4.6
171.06564	9.6
171.10185	3.6
171.11693	8.8
173.07291	1.4
173.09628	6.5
173.11703	3.1
173.13246	4.5
175.11275	5.7
177.09154	1.5
177.12782	4.1
179.10733	2.1
179.14262	1.2
180.11566	2.2
181.10115	2.2
181.12209	9.3
183.11644	2.8
185.08069	3.1
185.09602	2.5
185.13237	4.0
186.10368	1.3
187.11214	3.5
189.09477	2.4
189.11221	13.6
189.12729	2.6
191.10660	4.8
191.14320	2.0
193.10370	1.1
193.12233	4.8
195.11745	3.2
195.13693	1.6
197.07315	4.4
197.11710	1.4
199.09576	3.3
199.11281	2.5
199.13118	2.0
201.12936	1.7
201.14804	5.9
203.10590	1.5
203.14304	1.2
205.12202	2.8
205.15918	1.8
207.13768	1.8
209.11719	1.3
211.13219	1.7
213.12921	1.7
217.12343	1.2
217.15884	1.8
221.11708	3.6
222.12366	1.6
223.13199	5.7
226.11984	3.7
227.12782	8.8
227.17964	3.1
229.14262	2.4
237.16412	2.2
239.12816	3.8
241.14299	1.9
245.19099	4.1
249.14825	4.5
251.16452	2.0
255.15767	3.8
255.17645	3.8
261.18549	1.5
267.15967	1.7
269.17615	1.4
271.17282	1.5
273.18494	40.2
275.20111	3.4
289.17972	4.3
290.18668	2.0
291.19550	54.6
292.19690	1.6
295.15396	6.5
307.19049	1.6
309.16187	7.5
309.20181	1.1
311.22208	1.4
325.23987	1.5
327.16876	1.6
329.21204	2.7
347.22195	10.9
349.23709	1.7
365.23236	9.7
374.14835	1.6
381.22577	5.8
383.19684	3.5
401.20889	5.9
417.20349	3.4
439.26767	1.7
440.28207	1.6
455.21933	3.9
458.23889	1.8
483.25183	3.3
491.33453	3.0
511.34311	2.0
537.29633	1.7
545.37195	3.0
555.30524	2.2
637.40631	1.9
673.38184	1.6
689.38165	1.3
691.39703	2.0
707.39087	5.1
725.39960	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.3
55.01876	3.4
55.05516	21.9
57.03443	17.8
57.07085	3.3
61.02925	3.1
63.05441	2.3
65.03916	2.3
67.05509	57.8
69.03436	4.2
69.07081	15.2
71.04996	4.6
71.52808	2.9
71.53167	2.1
71.58611	1.7
75.04477	4.7
79.05499	43.4
81.03423	68.8
81.07063	60.2
81.60612	2.1
83.04989	11.1
83.08624	21.9
85.02920	6.5
85.06524	5.3
91.05493	35.1
93.07058	54.1
94.07362	2.7
95.04977	28.6
95.08051	1.8
95.08606	40.2
95.09178	3.2
97.02898	4.8
97.06552	4.5
97.10161	5.9
105.07051	26.9
106.85692	2.2
107.04971	5.2
107.08594	24.0
109.06528	6.8
109.10165	19.5
111.04511	2.7
111.08092	10.0
115.07611	4.3
117.07023	7.9
119.08596	25.7
120.08839	2.4
121.06491	3.7
121.10163	24.2
123.08118	5.5
123.11726	8.4
125.09637	3.9
129.07014	10.0
131.08589	15.6
133.10133	13.6
135.11699	13.0
135.27950	2.2
137.09595	3.1
142.07768	3.6
143.08623	4.9
145.10143	10.6
147.08034	2.9
147.11714	17.8
149.09633	4.9
149.13263	6.9
155.08679	2.9
157.10168	11.4
159.11708	6.3
161.13271	6.7
163.14854	3.4
171.11641	5.1
173.13263	5.8
175.11212	7.9
179.14389	2.6
184.07353	5.6
185.13242	2.5
189.11252	4.3
189.12857	2.6
193.12242	20.5
200.42003	2.3
207.13739	4.4
227.12883	3.3
243.21205	2.6
249.14859	2.8
261.22205	17.7
267.15930	100.0
281.17459	11.3
282.17786	8.4
301.14166	2.4
309.17184	3.9
317.24997	3.3
322.69113	2.1
333.31912	2.2
335.25806	91.6
336.26175	2.5
337.27310	8.4
338.27756	9.7
421.25937	2.8
435.32681	2.3
453.33740	9.3
471.34772	4.7
527.37390	49.3
543.39697	3.1
544.40845	25.6
545.38477	26.3
569.38171	6.2
616.62653	2.4
635.39551	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	723.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.0
54.99305	2.0
55.01875	13.3
55.05517	59.7
57.03445	13.2
57.07048	3.5
57.56430	2.1
59.05006	4.7
61.02925	3.3
65.03941	6.4
67.05511	86.3
69.03433	23.4
69.06719	3.7
69.07070	32.5
71.05002	12.3
77.03915	2.8
79.05502	75.8
81.03426	49.1
81.07065	100.0
83.04987	35.3
83.08629	41.3
85.02905	17.6
85.06543	5.9
91.04913	2.6
91.05486	64.2
93.07048	81.9
95.04980	68.0
95.08611	38.2
97.02916	15.1
97.06531	16.1
97.10182	18.9
99.04459	10.4
99.08077	6.2
103.05479	4.0
105.04556	3.3
105.07038	51.2
107.04955	19.2
107.08607	55.9
109.02876	8.8
109.06545	14.6
109.10161	22.4
111.04446	21.1
111.08106	12.7
115.05463	4.2
117.07024	29.2
119.08597	40.3
120.08891	2.6
121.06518	13.5
121.10159	30.6
123.04437	3.4
123.08057	13.6
123.11690	8.5
125.05956	3.7
125.08820	2.9
125.09625	17.0
127.03926	10.3
129.05487	9.4
129.07025	11.4
130.07758	3.0
131.08565	34.7
133.06483	4.9
133.10143	34.6
135.08054	12.2
135.11729	21.8
137.05977	2.9
137.09644	8.9
139.11235	3.3
141.07008	4.6
143.08543	10.1
145.06439	3.4
145.10144	27.7
147.08038	8.8
147.11707	17.6
149.09637	29.2
149.13261	18.3
151.07574	2.7
151.11229	5.4
155.08588	6.0
157.10152	11.3
159.08057	6.8
159.11705	20.1
161.09636	8.4
161.13326	5.9
163.07545	2.5
163.11186	28.7
165.09152	3.1
165.12805	6.8
167.10641	2.7
169.10106	5.0
171.11732	8.0
173.04416	3.2
173.09618	3.2
173.13271	9.4
175.11195	5.2
177.12802	11.7
179.14433	4.4
181.10034	2.5
181.12241	6.6
183.11775	4.4
185.13229	3.5
187.11157	4.1
187.14774	2.7
189.11227	8.1
189.12733	3.3
191.10683	2.4
193.12178	5.5
195.12074	2.4
195.13831	7.7
197.13348	4.9
201.12735	2.9
205.12238	6.4
209.11807	2.7
213.14815	2.7
223.13293	33.5
227.12744	3.4
229.19806	2.8
233.15283	3.8
234.64453	2.1
239.18137	2.6
249.14941	2.3
251.16428	11.3
257.18893	11.6
259.26260	2.4
267.15936	5.9
269.17453	25.8
273.18506	3.6
275.20102	63.1
289.17978	4.3
291.19434	3.3
293.21130	42.0
321.16925	4.1
331.22684	2.4
339.18079	7.0
349.23697	21.8
367.24759	38.0
395.20636	6.5
413.21747	45.2
435.26947	6.3
454.80447	2.6
456.05554	2.3
494.41199	2.7
503.32532	2.3
505.49408	2.6
525.35376	3.8
529.35718	4.3
543.36847	41.9
561.37976	65.9
669.39087	3.5
687.40240	9.7
705.42065	38.9
723.37915	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	723.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.8
52.77429	1.4
53.03960	8.3
55.01877	28.1
55.05514	52.3
57.03446	17.3
57.07086	10.7
59.04999	3.2
61.02907	4.4
65.03944	7.8
67.05510	85.1
67.05876	4.1
69.03434	20.4
69.06729	2.4
69.07073	33.6
70.06311	3.5
71.05006	11.4
73.02906	5.7
75.04472	2.5
79.05499	69.8
81.02944	1.4
81.03424	36.3
81.07063	100.0
82.04203	1.5
82.07378	3.5
83.04990	32.3
83.08151	2.3
83.08624	31.1
85.02918	12.8
85.06540	3.8
86.09712	2.0
91.05487	60.2
93.07050	69.8
95.04375	3.4
95.04974	61.7
95.08613	44.7
96.05785	3.7
97.02881	14.7
97.06540	18.6
97.10174	21.8
98.21506	1.9
99.04456	8.2
99.08088	3.9
101.06033	1.5
103.05446	2.9
105.04517	2.9
105.07044	47.9
106.07350	1.8
107.04973	15.9
107.08600	46.5
109.02890	8.0
109.06535	24.3
109.10163	30.7
111.04443	15.1
111.08078	11.3
113.06011	2.3
115.05445	3.6
116.04726	1.8
117.07027	21.7
119.08588	34.2
121.06528	12.6
121.10154	29.9
122.07286	3.0
123.04443	8.0
123.08063	15.2
123.11687	6.6
125.05984	3.2
125.09632	21.1
127.03912	6.2
127.11138	2.2
128.06221	2.2
129.05502	8.0
129.07025	10.1
131.08569	29.4
133.06497	7.0
133.10143	25.8
135.08081	12.9
135.11725	17.5
137.06030	2.8
137.09621	27.2
138.10365	2.8
139.07530	1.9
139.11223	4.2
141.06961	2.8
142.07753	2.8
143.08569	8.7
145.06465	3.3
145.10141	24.5
147.08046	10.0
147.11694	16.9
149.09624	25.3
149.13263	11.3
151.07533	4.9
151.11221	4.1
153.09100	4.4
153.12737	1.6
155.08580	4.2
155.10643	2.6
157.10123	6.4
159.08067	5.7
159.11682	17.3
161.09602	10.1
161.13199	2.8
163.07588	2.6
163.11198	20.1
165.09126	4.7
165.12744	5.5
167.08556	1.7
169.10127	6.1
171.07979	1.8
171.10201	2.2
171.11691	7.7
173.09589	4.3
173.11768	2.8
173.13223	4.1
175.11191	3.0
177.12704	8.0
179.10693	3.0
181.12210	4.9
183.06526	2.1
183.11696	3.8
185.13277	3.8
187.11185	3.8
189.09671	1.6
189.11203	12.9
189.12698	3.5
191.10612	3.0
191.14436	2.6
193.10477	1.8
193.12245	8.2
195.11871	2.3
195.13824	9.4
197.13261	2.8
199.13228	1.9
199.14847	1.9
201.12759	2.4
201.14703	2.0
205.12227	4.3
209.11627	2.1
211.14845	1.9
221.11740	4.4
223.13274	22.9
223.15167	2.2
226.11909	2.1
227.12737	5.9
229.14328	4.8
229.19553	2.4
239.12737	4.4
239.18002	1.9
247.20546	2.0
251.16451	4.2
257.19022	9.2
259.20660	2.0
261.14847	1.9
261.18442	2.3
267.15930	3.8
269.17474	16.3
271.16840	2.1
273.18503	14.7
275.20059	40.4
276.20490	2.0
289.17896	7.0
291.19739	8.6
292.19879	3.8
293.17792	3.2
293.21063	21.9
295.15491	3.4
307.19037	2.5
321.16974	2.1
331.22876	1.8
339.18182	3.3
347.22110	6.0
349.23676	13.4
351.25320	2.5
363.21674	2.5
365.23114	4.3
367.21091	2.0
367.24918	24.7
381.22647	4.4
395.20770	7.2
399.23483	3.2
413.21762	25.4
435.27283	4.4
507.33035	2.1
525.35431	3.5
537.92645	1.7
543.36884	28.9
561.38025	34.0
669.39355	2.9
687.40430	4.8
705.42102	25.8
723.39740	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	721.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.1
53.33333	2.0
55.01871	7.0
55.05516	28.9
56.24039	2.0
57.03440	11.2
57.07069	7.4
59.05010	2.6
59.61808	2.1
59.94514	1.8
65.03947	5.1
67.05511	78.9
69.03434	14.8
69.07076	24.1
71.04998	23.4
71.08638	3.4
73.06558	3.5
79.05502	54.3
81.03429	37.8
81.07063	100.0
83.04981	15.7
83.08616	17.1
85.02900	7.4
85.06537	10.8
87.28907	1.8
89.06026	6.6
91.05490	66.6
91.95934	2.2
93.07052	63.8
95.04984	15.1
95.08614	44.0
97.02901	13.0
97.06567	11.0
97.10184	6.2
97.67115	2.1
98.21527	4.4
99.04466	5.3
99.08101	4.7
105.07040	52.8
107.04965	8.8
107.08609	38.0
109.02895	7.8
109.06523	10.0
109.10172	14.8
111.04449	5.5
111.08089	3.7
113.39042	2.0
115.05457	3.7
117.07041	19.2
119.08591	33.4
121.06514	7.1
121.10152	24.2
123.08078	8.0
123.11711	8.3
125.09638	2.9
127.03927	5.6
128.06215	5.0
129.05487	6.3
129.06993	13.0
129.53401	2.0
130.07851	2.6
131.08575	31.0
133.06464	4.5
133.08595	3.6
133.10136	33.5
135.08043	7.2
135.11696	16.3
141.06973	2.9
142.07805	3.7
143.08566	12.3
145.06438	2.6
145.10117	26.2
147.08093	5.5
147.11694	22.3
149.09648	6.0
149.13275	9.2
151.11197	8.6
153.07173	2.0
155.08554	6.7
157.10153	17.9
159.08084	3.5
159.11720	21.7
161.09648	4.6
161.13235	11.3
163.11183	5.1
163.14799	3.5
165.12709	3.0
165.69295	2.3
167.08620	3.9
169.10132	7.7
171.11713	15.8
173.04536	12.7
173.09604	2.4
173.13347	10.4
175.11197	4.7
175.14857	4.9
177.12822	4.5
181.10246	4.5
181.12128	1.9
183.11728	7.7
184.07388	3.5
185.13292	8.9
187.11232	4.0
187.13298	4.5
187.14835	4.1
189.12735	3.4
191.10617	2.1
191.14381	2.1
193.10255	2.4
193.12260	3.9
195.11719	4.8
195.13640	2.8
197.13292	5.7
199.11238	2.4
199.14841	4.3
201.12714	2.4
201.16440	2.4
207.13788	3.7
209.13283	3.4
211.11307	2.7
223.14864	2.5
225.14706	3.3
229.49208	2.1
233.22821	2.4
237.16325	2.1
241.19609	5.1
243.15851	5.0
243.21149	6.2
245.19084	2.7
257.17395	2.6
259.20639	8.7
261.22083	11.5
267.15784	2.1
269.17532	7.7
271.20572	2.6
273.18478	6.7
275.20132	6.6
279.15869	3.0
281.17429	9.8
283.20566	2.7
285.22324	3.1
291.19608	6.8
315.22934	3.9
333.24155	7.6
335.25790	7.1
339.17944	3.1
339.23187	2.4
349.24289	2.6
365.23376	5.3
367.22687	2.7
385.24417	2.4
409.31110	4.8
413.21704	6.3
435.32541	4.4
441.26321	2.8
445.24582	2.9
449.34338	2.5
501.35864	21.6
503.37350	40.9
504.37231	3.2
527.37354	20.1
533.38635	3.5
541.39532	13.0
559.36823	8.5
597.36823	2.4
653.40112	5.9
667.41858	4.2
671.41620	5.7
685.41803	5.0
689.42560	8.5
703.41931	8.5
721.43555	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	721.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72449	0.8
51.02382	1.5
53.03946	7.0
55.01882	2.1
55.05518	14.8
55.56005	0.9
57.03446	8.4
57.07062	2.7
65.03935	2.6
67.05512	60.2
69.07079	12.5
69.25971	7.4
71.04987	2.5
73.06549	1.2
77.03907	1.5
79.05500	63.8
81.03410	5.7
81.07064	50.9
83.04990	10.2
83.08636	7.0
85.06549	2.4
91.04917	1.5
91.05493	45.6
93.07054	59.7
95.04988	11.7
95.08623	32.2
97.06543	4.0
97.10163	3.5
98.20744	1.6
99.08124	1.7
105.04517	3.3
105.07038	32.4
107.04974	2.9
107.08604	23.9
109.06519	2.7
109.10171	10.4
111.08109	2.6
115.05499	1.4
117.07034	9.1
119.07812	1.8
119.08591	21.7
121.06521	1.9
121.10152	12.5
123.08087	5.2
123.11691	2.0
128.06264	1.3
129.07037	12.2
130.07797	1.1
131.08580	7.8
133.06500	1.3
133.10141	10.9
135.11711	7.0
137.09618	1.0
143.08641	6.3
145.10138	8.4
147.08002	1.1
147.11696	26.8
149.13269	4.2
155.08531	1.1
159.11719	4.1
161.09621	3.0
161.13252	9.3
163.11205	1.2
171.11703	17.9
173.13268	2.2
175.14815	1.8
183.11703	1.1
184.07352	1.1
185.13304	1.3
187.11130	1.1
187.14755	1.1
189.12787	5.8
207.13834	15.8
225.14861	1.9
243.21091	2.5
261.22079	7.2
279.03934	1.0
279.15952	2.5
281.17505	63.5
282.17886	2.0
317.24786	2.8
334.68768	1.0
335.25830	40.8
336.25992	1.3
399.84042	1.0
541.38940	100.0
542.39520	5.3
559.39911	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46086	1.1
52.00807	1.0
53.03947	7.9
55.01865	4.6
55.05270	1.7
55.05513	22.3
55.88855	1.0
56.08924	1.0
57.03445	12.7
57.03730	1.6
57.07073	2.1
59.27054	1.1
65.03939	2.3
67.05505	75.2
69.03407	3.0
69.07066	15.7
71.04986	2.5
73.06551	1.3
77.03934	2.3
79.05493	74.6
81.03418	9.5
81.07055	68.3
83.04983	14.1
83.08617	8.7
85.02910	2.3
85.06532	4.0
86.09707	1.9
91.04903	2.4
91.05482	55.9
93.07044	79.0
95.04975	15.8
95.08611	44.0
97.02843	1.1
97.06510	7.3
97.10152	5.3
99.08050	1.4
105.04508	2.8
105.07030	42.3
107.04958	6.2
107.08591	31.1
109.06525	7.2
109.10153	14.6
111.04433	1.4
111.08082	3.7
117.07023	13.1
119.08580	30.6
121.06527	2.8
121.10148	17.2
123.08057	5.7
123.11698	3.7
125.09651	2.8
128.06226	2.6
129.07011	15.4
130.07880	1.4
131.08574	11.0
133.10141	15.7
135.08023	1.6
135.11710	9.8
137.09619	1.9
143.08557	8.8
145.10126	16.8
147.08025	3.2
147.11693	33.3
148.82170	1.2
149.09680	1.4
149.13245	5.0
157.10153	2.8
159.11732	7.1
161.09615	2.7
161.13240	10.6
163.11220	3.0
163.14888	1.4
167.10582	1.3
169.10085	1.8
171.11685	23.5
173.13283	4.7
175.11247	1.4
175.14801	1.6
177.12775	1.2
181.12244	1.8
183.11826	1.5
184.07315	3.5
185.13312	1.8
187.14873	1.3
189.12721	7.9
207.13800	20.1
225.14781	2.4
241.19550	1.5
243.21092	3.3
259.20547	3.1
261.22144	9.4
273.18582	2.4
275.20145	2.3
279.15906	3.1
281.17471	90.2
282.17636	2.4
291.19812	1.7
317.24606	2.5
333.24457	2.1
335.25809	43.4
336.26154	1.4
349.23868	1.3
421.75870	1.2
541.38947	100.0
542.39246	4.4
559.36530	2.4
721.32898	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	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.5
53.03950	10.1
55.01878	15.3
55.05268	2.3
55.05513	32.8
57.03451	10.3
57.07065	2.1
58.91451	1.4
59.04998	2.0
62.06622	1.2
65.03941	3.4
67.05511	69.7
67.90793	1.5
69.03432	17.1
69.07076	22.7
71.01362	1.7
71.04996	9.2
71.08638	1.8
71.53156	1.5
71.53501	1.3
73.02892	2.6
79.05497	59.5
80.75298	1.3
81.03423	47.0
81.07063	100.0
83.04985	21.6
83.08617	19.6
85.02914	11.8
85.06544	5.8
91.05488	43.0
93.07052	52.0
95.04981	24.4
95.08611	27.1
97.02899	13.9
97.06533	13.2
97.10180	18.4
99.04463	6.8
99.08076	3.8
105.04502	1.4
105.07043	30.5
107.04964	11.2
107.08611	29.4
109.02879	8.5
109.06525	14.7
109.10179	14.6
111.04456	21.6
111.08099	11.6
113.06000	2.1
115.05476	2.4
117.07040	15.1
119.04935	3.0
119.08590	27.4
121.06508	11.8
121.10158	16.2
123.04452	1.6
123.08079	18.9
123.11704	5.5
125.05953	2.8
125.09640	15.0
127.03926	9.9
128.06268	2.2
129.05492	3.6
129.07002	12.1
131.04939	2.3
131.08580	21.5
133.06474	3.4
133.10136	16.3
135.04454	1.8
135.08052	8.4
135.11714	14.6
137.09621	5.0
141.07039	3.2
143.08569	5.4
145.06488	5.5
145.10135	17.6
147.08080	10.2
147.11713	10.4
149.09645	9.2
149.13246	8.8
151.07507	1.3
151.11177	2.0
153.09090	3.8
153.12740	7.5
155.08554	3.6
157.10161	8.5
159.08075	4.8
159.11703	13.1
161.09631	10.9
161.13258	2.0
163.11205	15.4
165.09140	4.7
165.12819	2.0
167.08604	1.6
169.10153	2.9
171.10292	1.9
171.11737	5.0
173.04529	1.9
173.09644	4.5
173.13272	4.5
175.11194	4.9
177.12762	6.4
181.10405	1.5
181.12177	8.2
183.11676	3.3
184.07387	7.3
185.09708	2.2
185.13322	3.1
187.11194	2.5
187.14882	1.6
189.09468	1.7
189.11224	11.0
189.12758	2.2
191.10742	7.4
193.12274	7.3
195.11980	1.6
195.13823	7.2
197.13255	2.1
199.11172	2.8
201.12715	2.1
205.12262	1.9
209.11737	3.2
211.13298	3.3
213.14749	2.1
215.14404	1.9
223.13315	6.1
227.12788	14.1
233.15373	1.6
245.19041	1.8
249.14914	1.9
255.17604	2.1
267.15924	4.2
269.17499	15.6
273.18536	26.5
275.16922	2.1
275.20132	7.6
283.15607	3.6
289.18228	1.5
291.19568	62.6
293.20947	1.5
309.20651	3.8
339.18149	4.8
347.22147	8.5
349.23590	4.3
365.23206	24.9
381.20630	2.8
383.23505	1.3
395.20511	7.0
399.21655	3.9
413.21683	17.6
449.30707	2.1
467.31488	3.1
541.35315	14.6
559.36267	35.5
577.36713	4.0
625.36725	1.7
643.38354	1.5
667.38293	2.6
667.86609	1.6
685.39575	4.8
703.40387	21.3
721.41498	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	721.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.2
53.30352	1.0
53.99070	1.1
55.01875	13.5
55.05516	47.0
57.03442	13.2
59.04993	1.0
65.03940	5.8
67.05508	62.3
68.05045	1.1
69.03436	21.2
69.06689	1.4
69.07069	23.0
69.21223	1.2
69.21533	11.0
70.06592	19.2
71.05004	9.7
72.08171	5.8
77.03930	2.1
79.05498	52.7
79.47672	1.1
81.03423	100.0
81.07059	64.3
82.38207	1.0
83.04987	29.9
83.08623	38.8
84.04511	1.7
84.08940	1.1
85.02905	20.0
85.06553	4.9
86.09707	16.3
87.10026	1.5
91.05489	50.5
93.07050	50.1
95.04973	83.6
95.08611	27.5
97.02898	20.4
97.06525	12.9
97.10169	16.8
97.22432	1.1
99.04465	12.0
99.08105	3.6
100.99617	1.1
103.05500	2.0
105.04501	1.9
105.07038	44.1
107.04964	20.2
107.08598	42.5
107.09306	2.3
109.02893	16.6
109.06520	19.6
109.10169	15.9
110.21249	1.2
111.04450	28.5
111.08088	13.1
113.06020	5.8
113.54967	1.0
115.05469	3.6
117.07010	15.9
119.04976	1.3
119.08591	36.3
120.08125	4.1
121.06524	10.8
121.10156	26.6
123.04471	4.0
123.08062	9.9
123.11718	2.7
125.06041	2.3
125.09641	13.8
127.03902	11.5
128.06253	2.2
129.05504	3.9
129.07027	14.7
129.10211	1.2
130.07848	1.3
131.08574	27.0
133.06526	5.6
133.10149	18.6
135.08070	10.9
135.11696	14.3
136.07584	6.1
137.09634	6.5
139.11192	3.4
141.07016	3.9
141.10292	3.4
142.07820	3.5
143.08588	6.3
145.06516	5.0
145.10133	21.0
146.10596	1.4
147.04453	1.5
147.08067	8.6
147.11694	16.6
149.05948	1.4
149.09613	25.7
149.10735	1.4
149.13249	2.7
151.11240	3.0
153.09113	3.0
153.12772	4.9
155.08571	3.1
157.10143	12.5
159.08046	3.3
159.09233	3.0
159.11690	12.0
161.09671	5.0
161.13306	2.3
163.11195	25.0
165.12741	6.2
167.08624	1.2
169.10046	4.0
171.08067	2.0
171.10251	1.4
171.11678	3.8
173.04416	2.5
173.09662	5.2
173.11902	1.4
173.13269	4.3
175.11177	14.8
177.12796	5.4
179.14296	1.2
181.12260	4.5
183.08273	1.3
183.11618	3.1
183.15126	1.6
185.09653	2.3
185.13280	3.1
187.11215	4.3
189.09470	1.6
189.11256	9.3
189.12732	2.6
191.10675	6.6
193.12251	29.4
195.11899	1.2
195.13838	2.6
197.13354	2.6
199.14806	1.3
201.12752	2.5
205.12224	5.6
207.13908	1.5
209.11742	1.7
211.11363	1.7
211.13254	42.2
215.14417	1.4
217.15971	2.0
223.13292	37.5
225.12781	1.2
227.12721	9.9
229.12343	1.4
229.14412	2.3
229.19521	2.7
239.18051	3.7
247.20621	2.4
249.14891	2.6
255.13927	1.7
257.19012	6.6
267.15958	11.4
269.17642	2.5
273.15601	1.8
273.18451	8.3
275.20068	47.5
283.15564	3.2
285.16971	10.7
289.18201	1.6
291.19553	14.8
293.21118	35.8
293.24234	2.0
337.16528	4.2
341.21307	1.7
347.22305	2.3
349.23749	17.8
355.17679	10.1
355.22278	1.9
357.65631	1.4
365.23297	5.1
367.24783	11.6
383.22485	3.6
391.24814	1.4
393.19357	2.8
401.23553	2.4
411.20209	14.4
413.21863	3.1
429.21387	4.8
433.26105	5.3
457.26169	1.6
475.27176	2.4
485.32193	1.8
503.42084	1.2
541.35217	15.4
559.36340	22.9
577.37292	17.4
649.37170	1.4
667.38617	5.4
676.01776	1.1
685.39502	6.6
703.40533	17.7
721.41553	90.8
722.41779	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.6
51.56934	1.2
53.03943	8.1
53.82981	1.2
55.01878	16.9
55.05516	35.6
57.03445	10.6
57.07063	1.1
61.02925	1.6
65.03940	3.3
67.01947	1.0
67.05508	57.9
69.03435	18.8
69.07069	21.7
70.06559	1.7
70.10288	2.3
70.10647	2.3
71.01375	1.9
71.04999	9.0
77.03949	1.2
79.05498	57.8
81.03421	56.9
81.07058	100.0
83.04982	29.6
83.08623	27.3
84.08144	2.0
85.02905	17.4
85.06536	4.6
86.09716	2.0
91.05482	42.8
93.07046	51.3
95.01350	1.6
95.04369	2.3
95.04969	36.8
95.08611	27.7
97.02897	13.6
97.06533	14.1
97.10168	17.9
99.04451	10.4
99.08100	3.9
101.02372	1.5
103.03938	1.6
103.05463	1.4
105.04544	1.4
105.07039	31.8
107.04969	12.5
107.07874	1.9
107.08600	30.2
109.02877	12.6
109.06529	15.1
109.10155	11.5
111.04446	25.9
111.08083	13.9
113.06045	2.8
115.05492	2.3
117.07013	15.9
119.04939	2.5
119.08580	25.9
121.06512	11.6
121.10148	19.8
123.04424	3.2
123.08064	21.7
123.11703	4.7
125.06031	2.3
125.09635	14.0
127.03922	10.1
128.06242	1.5
129.05475	4.8
129.07018	10.0
131.04935	2.0
131.08575	21.7
133.06509	5.5
133.10127	16.6
135.04393	1.2
135.08063	10.0
135.11685	13.8
137.06013	1.3
137.09631	7.6
139.07521	1.4
139.11166	2.0
141.06985	2.4
142.07777	2.2
143.08569	8.4
143.10664	1.1
145.06491	3.5
145.10123	17.2
145.11169	1.6
147.04399	1.5
147.08061	8.6
147.11688	13.3
149.05965	2.0
149.09648	11.7
149.13287	9.3
151.11150	2.8
153.09114	2.6
153.12758	8.0
155.08591	5.0
157.06415	1.9
157.10136	8.7
159.08095	3.8
159.11705	13.2
161.09660	7.8
161.13264	1.4
162.35609	1.1
163.11169	19.5
165.09158	4.3
165.12767	4.8
167.08592	1.4
169.10146	3.1
171.08076	2.0
171.10301	2.2
171.11748	5.8
173.04459	2.0
173.09628	3.8
173.13208	1.5
175.07574	1.2
175.11256	7.0
177.09074	2.5
177.12790	4.8
179.10626	1.7
181.10643	1.9
181.12245	9.5
183.11691	2.5
183.13858	1.1
184.07399	2.1
185.09636	1.6
185.13228	2.8
186.46484	1.1
187.11205	4.1
189.11218	14.4
189.12733	2.5
191.10718	7.0
193.12239	12.2
195.12067	1.3
195.13818	7.9
197.13348	1.7
199.11147	2.0
201.12721	2.2
203.14476	1.4
205.12123	2.4
207.11836	1.2
207.13806	1.8
209.11690	2.2
211.11310	1.8
211.13239	12.0
211.14931	1.1
213.12744	2.3
213.14722	1.4
215.11038	1.2
219.13702	1.8
223.13249	16.2
227.12785	14.6
229.12244	2.6
229.14420	1.7
245.19046	2.7
249.14986	3.5
253.14369	1.6
255.17500	3.0
257.19223	2.4
263.20102	1.6
267.16019	4.9
269.17499	13.4
273.15402	1.7
273.18509	23.2
275.20020	16.4
283.15396	6.1
285.17041	3.9
290.20541	1.3
291.19547	53.4
292.19974	1.5
293.21106	10.2
299.19955	1.1
303.19403	1.4
309.20737	4.6
315.19626	1.4
321.17020	1.5
329.21176	1.4
339.18030	6.4
347.22125	4.3
349.23740	4.9
355.17398	1.2
357.20599	1.6
365.23285	25.1
367.24899	3.1
381.20587	1.9
383.22894	1.1
389.23166	1.2
395.20712	7.0
395.25464	1.1
399.21899	2.1
411.20261	3.6
413.21677	17.0
429.21371	1.9
433.25928	1.8
439.27161	1.5
449.30597	1.3
456.23752	1.3
467.31726	2.4
476.62885	1.3
477.28162	2.1
485.33231	1.4
523.25562	1.1
523.33679	1.3
541.35376	12.3
559.36334	32.4
560.36310	1.6
577.37335	4.6
611.35089	1.2
625.37469	1.3
629.36346	1.4
639.33478	1.2
643.38220	1.9
649.37476	1.5
667.38873	3.1
685.39905	6.1
703.40607	23.8
721.41461	41.4
722.42242	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05027	0.8
58.06608	0.5
60.08167	6.6
64.84703	0.2
67.05485	1.1
69.03442	0.3
69.07059	0.3
71.05002	0.4
71.07371	3.2
71.52551	0.2
79.05470	0.5
81.07040	0.9
82.18487	0.3
86.09708	30.3
91.05458	0.7
93.07048	0.7
95.08620	1.7
96.08930	0.5
98.98462	2.7
104.10749	1.7
105.07053	0.3
107.08598	0.4
109.10209	0.3
121.10145	0.3
125.00008	20.8
184.07344	100.0
185.07770	0.4
282.22943	0.3
303.33945	0.2
377.06592	0.3
476.33951	0.3
477.34698	0.4
688.45465	12.0
689.45795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.5
58.06611	0.4
60.08166	5.8
65.56182	0.2
67.05497	0.5
69.07051	0.2
69.20914	0.2
69.21195	1.9
71.07376	3.0
78.30600	0.2
79.05479	0.2
81.07059	0.5
86.09708	28.8
87.10048	0.3
88.24525	0.2
91.05466	0.3
93.07030	0.4
95.08592	0.5
98.98460	2.7
104.10748	2.0
107.08604	0.3
109.10149	0.2
125.00009	18.4
130.61862	0.2
133.10144	0.2
184.07346	100.0
185.07643	0.6
196.66133	0.2
541.38666	0.2
688.45471	13.1
689.44861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.4
55.01873	8.6
55.05513	36.9
57.03439	11.7
57.07059	6.5
58.77516	1.7
61.02907	6.9
61.59128	1.6
63.52111	1.7
64.28313	1.5
65.03932	6.7
66.42451	1.9
67.05507	92.0
68.05818	2.6
69.03439	12.4
69.07069	28.9
69.98262	2.0
69.98589	8.4
71.04981	7.8
73.02905	3.9
73.06553	2.1
77.03900	1.7
79.05495	97.5
80.05818	2.4
81.03419	27.1
81.06594	4.3
81.07058	82.1
81.07535	4.0
83.04991	19.4
83.08626	18.7
85.02899	9.9
85.06542	6.0
86.09709	2.0
87.60780	1.8
91.03948	2.6
91.05485	100.0
92.05844	2.1
93.07048	95.0
94.07398	1.9
95.04977	23.8
95.08613	49.5
97.02893	10.4
97.06527	10.5
97.10159	9.7
99.04447	3.4
99.08098	3.1
103.05434	4.0
105.04491	3.1
105.07038	87.0
106.07354	2.6
107.04958	12.7
107.08592	41.0
109.02872	6.3
109.06512	11.4
109.10164	19.4
110.10456	1.9
111.03688	1.7
111.04457	6.8
111.08092	5.3
111.11794	1.8
115.05431	4.4
117.07032	31.9
119.02636	1.9
119.08588	65.8
121.06512	6.3
121.10152	19.8
123.04405	2.3
123.08075	9.8
123.11650	4.4
125.09626	6.4
126.06820	1.6
127.03913	5.9
127.07548	2.3
128.06223	5.3
129.05522	2.2
129.07005	26.8
131.08585	34.3
132.31255	1.8
133.06502	3.0
133.10132	40.0
135.08057	6.2
135.11673	15.9
137.09608	6.0
141.06953	5.1
141.09152	2.2
142.07727	2.6
143.08560	25.4
145.06482	5.8
145.10127	34.6
147.08023	4.9
147.11699	50.7
149.09634	6.2
149.13286	9.6
151.11189	3.4
155.08575	12.7
156.09317	3.3
157.10129	16.4
159.08066	3.3
159.11703	23.2
161.09636	9.0
161.13264	23.9
163.07581	2.0
163.11148	7.6
165.12759	2.4
167.08566	3.8
169.10118	16.1
171.11688	32.2
173.04430	2.2
173.09645	3.3
173.13295	13.8
175.11191	3.3
175.14830	12.3
177.12752	5.1
179.08556	3.7
181.10136	8.5
183.10271	1.9
183.11652	11.6
185.13220	16.9
187.11208	3.8
187.14784	3.9
189.12724	10.3
190.13020	2.1
193.12221	4.4
195.11708	7.8
197.13310	9.3
199.14862	7.2
201.16434	3.0
207.11847	4.0
207.13805	13.7
209.13251	6.0
211.11116	2.6
211.14891	3.1
213.12807	2.1
213.16438	3.9
215.17932	2.0
221.13208	3.0
223.14848	5.4
227.12627	3.2
227.19968	2.5
229.19595	2.1
231.21034	4.9
233.13155	2.1
237.16365	4.1
239.17999	4.9
241.19514	17.8
253.15729	2.4
257.18964	3.5
259.20578	39.1
273.18472	2.0
275.20023	8.0
279.15817	12.5
281.17471	40.2
289.17990	4.6
295.20609	2.3
297.22162	3.1
315.23218	3.3
323.23798	3.0
333.24246	29.8
349.23865	5.3
353.15851	2.2
363.21542	3.6
419.33560	2.1
429.31577	5.7
437.34088	6.1
447.32596	14.1
465.33731	8.9
483.34436	7.1
501.35666	2.4
521.36292	4.1
529.38666	2.4
539.37384	87.0
555.38055	2.1
557.38519	35.6
558.38702	3.2
665.39337	2.4
683.40076	2.1
701.41888	12.8
719.40033	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	719.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.3
53.03950	9.3
55.01864	5.3
55.05273	2.4
55.05513	29.2
57.03441	12.3
57.07075	3.9
61.02923	6.0
62.82341	1.5
65.03926	4.1
67.05508	78.8
69.03425	6.6
69.07066	22.2
71.04983	6.2
71.08628	2.2
73.02898	3.3
73.06568	2.7
77.03900	1.4
79.05496	100.0
81.03429	11.4
81.07062	75.2
83.04987	15.1
83.08633	11.3
83.86807	1.6
85.02908	7.2
85.06538	5.2
91.03932	2.5
91.05486	93.1
93.07048	93.7
95.04970	21.0
95.08611	49.4
95.09145	1.1
96.36112	1.6
97.02888	6.8
97.06529	5.9
97.10154	4.5
98.20774	3.3
99.08064	2.3
103.05456	3.5
105.04539	3.4
105.07034	89.3
107.04972	9.7
107.08601	39.6
109.06554	8.3
109.10151	16.3
111.08069	3.7
115.05466	3.7
117.07022	25.3
119.08585	64.9
121.06497	4.5
121.10148	21.0
123.08070	6.9
123.11733	3.9
125.09681	1.7
127.03959	2.2
128.06219	6.6
129.05504	2.0
129.07019	29.1
130.07805	3.1
131.08575	32.8
133.06444	2.3
133.10136	43.4
135.08067	4.0
135.11700	17.1
137.09555	3.6
141.06989	5.5
142.07748	2.2
143.08566	22.1
145.10118	38.1
147.08014	3.7
147.11696	52.4
149.09624	4.0
149.13269	8.0
151.11148	2.3
153.70172	1.6
155.08546	7.4
156.09309	1.6
157.10143	21.3
159.11713	25.1
161.09644	5.4
161.13263	31.9
163.11127	2.9
163.14839	3.0
167.08539	4.1
169.10115	11.2
171.08011	2.1
171.11694	36.9
173.09587	1.6
173.13272	15.4
175.11247	3.4
175.14815	15.3
177.12759	3.1
179.08652	2.5
181.10132	7.7
182.10869	2.0
183.11714	12.5
185.13281	14.4
187.11176	2.5
187.14804	6.6
189.12733	11.1
189.16483	1.7
193.10066	2.7
195.11694	6.4
197.13319	8.9
199.14874	5.4
201.12784	2.2
201.16348	2.2
203.14320	2.0
207.11827	2.5
207.13754	19.9
209.13199	5.2
211.14870	4.0
213.16444	4.5
215.18040	2.1
223.14937	3.6
225.16316	2.5
229.43529	2.0
231.21097	5.1
233.13242	2.3
241.19493	26.9
257.18948	4.7
259.20575	54.3
261.22055	2.4
271.20755	1.7
275.20230	3.8
279.15891	11.0
281.17459	59.9
297.22101	1.9
313.06842	1.8
313.21588	2.6
315.23138	7.2
325.21411	2.3
333.24286	38.8
335.23599	2.1
375.25937	1.7
405.01724	2.0
429.31445	2.8
437.34048	5.1
447.32608	16.8
465.33795	14.5
483.34558	7.0
501.35754	2.7
503.35080	2.6
511.37906	3.8
521.36334	7.0
529.38721	5.1
539.37360	99.3
540.37439	2.7
557.38452	52.2
558.37744	2.0
647.39282	2.2
665.40015	2.0
684.60022	1.8
701.42554	9.1
714.96783	2.1
719.42523	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	719.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
52.80115	1.2
53.03952	7.6
55.01865	5.9
55.05272	2.1
55.05516	30.0
56.83588	1.2
57.03442	14.3
57.07072	4.6
61.02918	6.1
65.03936	5.6
67.05508	77.7
67.24418	1.4
69.03419	7.2
69.07068	20.8
71.04993	4.6
71.49305	1.4
73.02917	2.9
73.06576	3.1
77.03918	1.6
79.05496	86.7
81.03420	13.9
81.07059	72.0
83.04982	13.7
83.08619	12.3
85.02917	7.1
85.06548	6.3
90.12101	1.3
91.03964	2.5
91.05486	100.0
93.07049	92.4
94.07424	1.3
95.04971	17.6
95.08611	51.0
95.83413	1.3
97.02888	5.1
97.06524	9.1
97.10163	5.5
99.04494	1.7
99.08096	4.8
103.05466	3.6
105.04538	2.5
105.07037	92.0
107.04991	8.3
107.08600	34.8
109.06517	7.1
109.10159	14.1
111.08031	3.4
112.93227	1.7
115.05435	3.6
117.07025	26.1
119.08583	66.8
121.06500	6.3
121.10157	19.4
123.08061	9.0
123.11733	4.9
125.09608	2.3
127.03934	3.1
128.06230	5.2
129.06998	27.1
131.08571	32.1
133.06503	3.1
133.10139	42.6
135.08038	4.7
135.11723	13.7
137.09634	2.2
139.11134	1.5
141.06999	5.0
142.07785	3.3
143.08565	22.8
145.06464	2.4
145.10124	31.6
147.08014	3.5
147.11691	57.4
149.09671	2.1
149.13252	9.1
151.11224	2.2
154.07730	1.3
155.08559	8.8
156.09334	3.6
157.10132	17.6
159.08072	2.1
159.11710	20.7
161.09578	4.6
161.11993	2.5
161.13266	35.4
163.11191	5.4
163.14833	3.6
165.06949	1.4
165.12804	1.4
167.08530	3.5
168.09413	1.7
169.10132	10.6
171.11693	36.7
173.09592	1.6
173.13278	13.1
175.14835	14.6
177.12735	3.3
179.08614	2.1
179.14299	1.6
181.10133	9.1
183.11719	10.5
185.13278	13.8
187.11246	3.4
187.14807	6.7
189.12772	8.5
193.09947	1.5
195.11757	6.6
195.13708	1.4
197.13298	7.8
199.14825	6.5
203.14125	1.6
205.10068	1.6
207.11824	2.9
207.13776	17.1
209.13300	5.8
211.14867	4.9
213.16391	5.4
215.17932	1.6
223.14893	3.2
225.16534	2.2
225.19522	1.4
231.17430	1.6
231.21140	6.4
237.16449	2.8
239.17894	3.1
241.19531	27.0
247.14775	1.3
257.18982	4.4
259.20596	55.7
261.22223	2.3
275.20078	3.2
279.15897	13.2
281.17490	62.5
293.22586	1.5
297.17130	2.3
297.22025	2.2
315.22995	6.9
323.23651	1.7
333.24310	24.7
419.33389	2.2
429.31595	3.3
437.34149	5.8
447.32538	13.7
465.33798	8.9
483.34811	6.7
521.36200	4.8
527.36896	2.3
529.38837	3.9
539.37329	77.1
540.37036	2.7
557.38544	41.1
558.38684	3.3
647.39264	2.0
665.39697	1.7
701.42664	11.4
719.43042	3.9
735.27747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05189	0.4
55.05507	3.7
57.07077	32.0
59.04992	1.2
62.64006	0.4
67.05505	2.9
69.03421	0.6
69.07082	3.0
69.25064	3.4
71.04984	0.5
71.08633	24.3
73.02917	1.1
73.06555	9.8
79.05492	2.0
81.03411	1.5
81.07050	3.1
83.08604	2.2
85.10184	20.2
86.09711	0.6
87.04469	11.1
89.06033	100.0
90.06364	0.8
91.05465	2.6
91.07621	1.2
93.07064	2.1
95.04965	0.9
95.08584	1.3
97.06532	0.7
97.10178	3.9
99.11720	4.1
105.07049	1.9
107.07093	1.9
107.08602	0.9
108.08956	0.6
109.10159	1.0
111.11761	0.8
113.13292	1.4
117.06995	0.8
117.09145	9.4
119.08587	1.5
121.10162	0.7
125.00021	0.5
130.08632	2.8
131.07074	3.8
131.08554	1.1
133.08604	56.1
134.10457	0.8
135.10155	0.8
135.11716	0.5
143.08633	0.5
145.10103	1.1
147.11705	0.9
153.82201	0.5
155.17955	4.3
157.10065	0.4
159.11610	0.6
161.11751	2.8
164.11792	0.4
175.09698	2.1
177.11226	23.2
179.12863	0.7
184.07326	4.0
184.97769	0.4
199.20584	4.3
211.51578	0.5
221.13853	5.5
223.15331	0.6
239.14954	0.9
240.23274	1.4
243.23196	10.5
265.16571	1.8
275.20001	0.7
276.20670	0.6
283.17624	1.8
287.25885	6.8
309.19031	1.1
327.20242	0.9
353.21838	0.8
357.05270	0.6
357.10870	0.5
371.22870	0.6
415.25333	0.7
547.33289	2.0
657.89667	0.5
701.50488	5.3
718.53925	5.9
719.53998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98838	1.0
53.03941	3.8
55.01886	1.3
55.05513	12.1
57.03449	7.3
57.07084	1.9
57.22270	1.0
61.02917	4.3
65.03943	2.2
67.05508	50.9
69.03432	11.0
69.07066	14.0
71.04998	4.4
71.05932	1.9
72.56620	1.2
73.02917	3.2
79.05499	23.0
81.03415	10.1
81.07056	30.7
83.05000	6.8
83.08616	5.0
85.02911	5.8
86.09691	1.5
91.03989	2.7
91.05489	12.0
91.14565	1.1
91.38931	1.0
93.07047	30.2
95.04967	2.7
95.08610	100.0
96.08913	1.2
97.02888	6.8
97.06538	5.2
97.10153	2.4
99.04463	1.8
99.08034	1.0
101.02408	1.4
105.07035	10.3
107.08595	11.9
107.60367	1.0
107.61127	1.0
109.02902	4.5
109.10140	10.4
111.04431	2.5
117.07034	4.3
119.08589	8.3
121.10135	11.0
123.08071	3.5
123.11710	3.3
125.00008	1.1
125.09658	1.9
127.03883	7.5
129.05496	3.4
129.06960	1.7
131.08589	4.2
133.10176	6.2
135.11688	6.6
137.09625	1.6
137.13225	1.0
141.09109	5.3
143.08575	1.6
145.10129	5.1
147.11716	4.2
149.13290	4.0
151.11182	1.1
159.10207	9.1
159.11714	4.4
161.09682	1.2
161.13283	2.6
163.14825	1.3
171.11684	1.4
173.04443	1.4
173.13275	1.5
173.45688	1.0
175.09714	1.6
184.07370	4.3
187.14938	2.6
215.12810	15.2
243.21259	1.4
259.20712	1.1
261.22083	4.7
285.13370	3.8
323.14047	1.2
335.25803	69.6
336.26163	1.8
351.22995	1.3
359.16959	25.0
369.24295	2.9
383.29364	1.2
405.26633	2.2
443.27734	2.2
475.34210	59.9
492.36887	4.4
520.29333	2.5
583.36639	2.9
601.37543	3.3
619.38507	23.9
637.39478	3.7
718.42133	60.5
719.41528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.0
53.03946	14.2
53.32508	1.8
55.01870	19.8
55.05515	40.6
57.03436	15.0
57.07061	3.7
59.04981	3.3
61.02938	2.8
65.03954	5.5
65.45295	1.7
67.05507	97.8
69.03084	2.6
69.03436	32.2
69.07069	41.3
70.06599	3.6
71.05004	12.2
71.52291	1.9
73.02893	3.7
73.06552	3.6
77.03981	1.9
79.05496	99.3
81.03423	60.8
81.07059	100.0
83.04985	21.7
83.08621	19.9
84.04454	1.9
85.02906	15.8
85.06537	3.7
86.09708	4.6
90.35562	1.9
91.03944	2.5
91.05484	93.5
93.07047	88.9
95.01309	2.4
95.04977	34.8
95.08607	51.0
97.02893	17.4
97.06533	21.2
97.10188	10.1
99.04434	11.9
99.08096	2.0
101.02388	1.9
103.05501	3.3
105.04503	3.7
105.07034	80.8
107.04956	20.4
107.08596	44.9
109.02881	12.6
109.06529	20.0
109.10164	26.7
111.04461	5.9
111.08089	7.8
115.05449	6.6
116.06268	2.5
117.07023	37.5
117.27541	1.8
119.04961	3.4
119.08589	53.7
119.84185	2.0
121.06506	14.3
121.10137	22.2
123.04456	5.0
123.08047	9.2
123.11697	4.5
125.09642	11.3
127.03911	13.6
128.06230	9.8
129.07008	28.9
130.07875	3.4
131.04924	5.8
131.08571	39.3
133.06516	9.4
133.10133	30.6
135.08060	11.2
135.11671	12.9
137.06004	4.1
137.09636	5.6
139.07532	2.5
141.07014	8.9
142.07771	4.4
143.08571	26.5
145.06506	8.0
145.10141	37.4
147.04420	2.7
147.08080	9.1
147.10538	2.8
147.11684	33.9
148.11952	2.4
149.05945	1.9
149.09619	17.3
149.13266	6.8
151.11215	2.5
153.06935	2.5
155.08589	9.7
156.09334	1.8
157.06506	4.4
157.10136	12.7
159.08066	9.2
159.11694	21.5
161.05963	2.2
161.09605	7.6
161.13284	14.3
163.11159	13.6
165.09088	5.1
165.12741	2.9
167.08556	5.4
169.10152	14.2
171.08109	3.6
171.11691	31.2
173.04514	15.8
173.09641	4.1
173.11816	4.1
173.13269	11.4
175.11217	4.4
177.12737	5.7
179.08545	2.8
179.10696	1.9
181.10123	5.2
183.08138	2.8
183.11734	8.0
184.07356	2.6
185.09630	6.2
185.13239	5.7
187.11205	6.1
187.14758	2.2
189.11217	3.0
189.12761	10.4
191.10713	2.1
191.14404	3.4
193.10193	2.4
195.11742	4.1
197.09514	2.4
197.13310	6.4
199.11131	3.9
199.14870	3.9
201.12749	2.7
203.14369	2.1
207.11928	3.6
207.13818	20.6
209.13379	2.7
211.14867	3.8
219.13815	2.9
221.15158	2.0
223.15089	3.3
225.14764	2.3
227.12784	6.8
229.19518	6.4
233.13269	2.7
239.14357	2.2
239.18002	7.4
241.10553	2.4
245.13689	2.6
247.20569	5.9
257.19012	17.8
259.16879	2.6
269.15390	4.7
271.16916	2.1
273.18555	4.2
275.20068	74.0
278.87158	1.8
279.16089	2.9
281.14679	3.6
281.17502	41.8
287.16473	10.9
287.19650	2.5
291.19760	1.8
293.21091	7.8
297.55228	1.9
299.16650	1.8
299.19974	2.0
305.17853	2.1
315.15903	2.8
328.32193	2.1
331.22491	4.4
333.16983	2.3
341.21295	1.9
349.23840	24.1
351.18060	2.1
355.22562	2.2
361.19873	3.0
365.21027	1.9
367.24780	3.8
373.23239	2.1
383.21759	3.1
401.23367	2.9
407.20593	2.7
407.38351	1.8
425.21683	6.2
435.27512	5.0
445.30350	2.3
463.31958	3.0
481.32776	2.0
527.37274	3.9
537.35724	14.9
553.34625	1.8
555.36945	63.1
556.37494	2.7
573.37659	3.8
597.38196	3.6
609.37622	2.9
617.37286	2.4
635.39978	2.2
653.39502	2.5
663.38666	3.5
681.39325	6.7
688.98718	1.8
699.41241	13.0
717.42078	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03949	11.4
55.01874	23.2
55.05512	23.4
57.03446	10.7
57.07082	1.6
65.03929	5.5
67.05505	62.9
69.03427	17.2
69.06734	2.4
69.07073	36.5
69.23335	6.3
69.23759	7.1
71.04984	5.9
77.03941	2.2
79.05497	65.2
81.03423	37.2
81.07059	82.5
83.04990	14.6
83.08623	12.5
85.02904	9.9
85.06514	3.9
86.09716	2.3
91.05483	87.6
92.05808	1.3
93.07047	66.8
93.07644	3.4
95.01346	8.8
95.04969	24.6
95.08610	45.9
97.02892	6.0
97.05933	2.1
97.06542	39.4
97.10150	3.7
99.04440	3.7
99.08100	2.4
101.41517	1.5
101.77459	1.6
103.03965	1.8
103.05469	4.3
105.04501	3.5
105.07036	100.0
107.04961	29.3
107.08597	25.7
108.81909	1.5
109.02879	5.6
109.05883	1.3
109.06528	9.8
109.10152	8.6
111.04432	3.0
111.08102	4.1
113.09672	1.3
115.05451	4.8
117.07021	30.4
119.08588	52.3
121.06525	8.8
121.10154	14.4
123.04437	4.7
123.08107	8.6
123.11673	1.8
124.99963	1.9
125.09628	3.1
127.03889	2.7
128.06198	7.5
129.05501	2.1
129.07013	22.1
131.04880	3.7
131.08582	42.0
133.06491	6.4
133.10136	42.8
135.08066	7.7
135.11702	10.3
137.05925	1.5
137.09616	4.9
139.07552	3.4
141.06972	6.0
142.07790	4.2
143.08546	16.5
145.06499	9.0
145.10121	24.4
145.11162	2.5
147.08060	4.9
147.11688	23.2
149.09647	10.5
149.13275	5.9
153.06955	1.8
154.07739	1.5
155.08585	8.0
156.09349	1.6
157.06454	4.0
157.10121	9.3
159.08054	6.2
159.11720	17.5
161.09590	3.8
161.13252	10.0
163.11153	5.9
165.09152	4.6
167.08546	4.7
168.09218	1.7
169.10159	7.0
171.08084	6.3
171.11685	14.8
173.04506	9.5
173.05785	2.0
173.09671	2.1
173.13243	6.7
175.11201	2.9
175.14844	1.6
177.12730	4.8
179.08571	1.7
179.14276	14.0
181.10147	4.7
183.11711	5.2
184.07353	6.5
185.09583	2.8
185.13193	3.8
187.11174	6.4
187.14857	1.8
189.12790	5.4
191.14357	1.9
195.11734	3.5
195.13675	2.5
197.13274	4.1
199.11082	1.4
199.14861	3.5
201.12791	2.7
207.13799	6.7
209.13268	1.7
211.14853	2.3
213.16341	2.0
219.13921	2.2
219.17429	5.6
223.13089	2.2
223.14995	2.0
229.19678	1.6
231.13823	2.3
233.15189	1.4
239.18013	2.1
241.16158	2.4
247.20592	2.8
251.14400	3.2
257.18970	6.1
259.20694	4.1
263.16403	2.2
269.15350	7.4
275.20074	82.0
276.20544	1.5
279.15997	11.7
281.17419	9.5
285.21893	1.9
287.16327	9.3
293.21133	5.2
305.17523	2.5
315.15939	2.7
333.16977	2.3
333.24106	2.1
343.19055	4.2
349.23761	36.2
361.20096	3.7
377.23056	1.7
407.20599	4.7
425.21790	13.7
537.35773	6.0
555.36816	40.9
556.36444	2.2
569.38501	2.7
597.37677	3.8
621.38971	1.8
635.39069	5.5
653.40332	2.6
663.38287	1.8
681.39539	3.6
699.40845	12.5
700.41791	1.6
717.42145	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	717.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12255	1.2
51.02371	1.9
53.03947	12.3
54.64050	1.2
55.01873	21.5
55.05511	24.5
57.03441	8.9
57.07078	1.4
59.04994	1.3
61.02919	1.5
65.03954	4.6
67.05505	56.0
69.03429	16.1
69.07071	31.0
69.23371	6.7
69.23799	5.5
71.04991	5.1
73.02920	1.4
77.03952	1.5
79.05492	56.0
81.02939	2.2
81.03417	33.4
81.07055	77.6
82.07373	1.5
83.04979	16.0
83.08617	8.3
85.02908	9.6
85.06548	3.5
85.75329	1.3
91.05482	79.1
93.07046	58.3
93.07638	2.8
95.01317	10.0
95.04964	21.8
95.08609	41.5
97.02912	6.7
97.06531	43.2
97.07156	2.1
97.10152	4.7
99.04441	4.8
99.08099	2.6
103.05476	3.3
105.04527	1.8
105.07034	93.5
107.04956	29.1
107.08588	30.3
109.02882	5.4
109.06531	8.6
109.10136	10.8
110.37555	1.2
111.04455	3.7
111.08085	4.3
113.09609	1.7
115.05460	4.4
116.06245	1.8
117.07007	26.1
119.04932	2.1
119.08581	52.4
121.06490	7.2
121.10151	13.2
123.04459	4.3
123.08070	7.6
123.11700	3.5
125.09658	3.0
127.03938	4.7
128.06221	5.0
129.05498	2.4
129.07014	19.2
130.07745	1.5
131.04935	3.1
131.08565	31.7
133.06499	6.0
133.10133	50.7
135.04340	1.5
135.08072	6.4
135.11688	10.8
137.09634	2.9
141.07008	6.0
142.07750	1.3
143.08565	14.6
145.06509	6.8
145.10133	25.4
145.11172	2.4
147.08080	6.2
147.11691	30.1
149.05959	1.4
149.09615	12.8
149.13275	5.4
151.11206	3.3
153.07094	1.7
155.08514	7.0
156.09244	1.5
157.06569	2.7
157.10124	9.7
159.08102	3.7
159.11694	18.1
161.06021	1.9
161.09616	4.6
161.13237	11.9
162.09081	1.3
163.11214	7.5
165.06949	1.5
165.09122	3.3
167.08594	2.7
169.10146	7.0
171.08054	4.5
171.11664	15.1
173.04449	8.7
173.05838	2.2
173.09705	2.1
173.13264	8.1
175.11238	2.6
176.74513	1.4
177.12743	6.0
179.08415	1.5
179.14305	16.8
181.10127	3.2
183.11682	5.5
184.07394	6.4
185.09612	3.4
185.13300	3.4
187.11255	6.1
187.14915	1.8
189.12729	5.1
195.13821	2.0
197.13286	3.7
199.11105	1.7
199.14894	1.8
205.12233	2.7
207.13797	9.4
213.16422	1.5
219.17532	2.2
223.14891	3.1
227.14386	1.5
229.19543	1.4
231.13832	1.7
233.15488	1.9
241.15919	4.2
247.16711	1.5
247.20583	4.0
251.14317	3.8
257.19016	8.3
259.16873	3.2
259.20605	2.2
261.14719	2.1
263.16565	1.8
269.15448	7.7
275.20056	100.0
276.20401	3.0
279.15912	10.4
281.17535	11.3
287.16422	10.2
293.21042	7.8
305.17599	2.3
315.15881	2.3
325.17874	1.7
331.22495	2.5
333.16977	1.7
343.19070	2.5
349.23709	39.0
351.17889	2.2
361.20001	4.4
377.23303	1.7
389.19397	2.0
405.07205	1.6
407.20682	4.4
419.24207	1.8
425.21710	15.3
431.24716	1.6
475.30640	1.8
527.36328	1.6
537.35748	8.3
555.36804	64.3
556.37140	2.6
569.38324	2.1
597.37646	2.1
607.39038	1.8
617.38770	2.2
635.39252	6.7
653.39941	2.2
663.38348	2.4
675.75732	1.3
681.40082	4.3
699.41132	24.0
717.42358	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	717.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80072	0.4
53.03937	1.2
53.22212	0.3
55.01863	0.6
55.05513	2.1
57.03439	2.6
57.07082	0.7
61.02933	4.4
67.05509	6.8
69.03432	3.7
69.07069	1.8
70.69715	0.9
71.01375	0.7
71.04990	0.7
73.02912	3.5
79.05493	5.0
81.03423	1.9
81.07058	5.2
83.04971	1.0
83.08602	1.1
85.02905	5.1
86.29168	0.4
89.06030	0.4
91.03970	3.7
91.05489	3.0
93.07050	6.6
95.04971	0.5
95.08609	6.6
97.02897	3.8
97.06528	0.9
97.10190	0.7
99.04436	1.0
101.02378	2.1
103.03930	0.5
105.07032	2.5
107.08604	3.9
109.02883	0.9
109.06530	0.7
109.10175	1.7
115.03880	0.4
117.07015	0.7
119.08600	1.5
121.10164	1.8
123.11748	0.4
125.09647	1.0
127.03908	1.3
129.07024	0.4
131.08582	1.2
133.08612	0.5
133.10147	1.0
135.11685	2.9
136.12019	0.4
145.10165	1.2
147.11711	0.6
149.13350	0.5
159.11676	0.7
161.13268	0.5
165.12616	0.4
171.11679	0.4
173.13278	0.5
184.07327	0.8
203.05318	0.5
207.56354	0.3
221.11510	1.5
229.19478	0.4
243.08531	1.7
253.21931	0.4
259.15485	0.7
261.22217	1.0
275.20053	0.6
335.25748	2.9
336.26230	0.7
359.16882	0.4
439.19406	4.4
475.34003	1.5
519.29425	6.7
520.37219	0.9
619.38519	0.8
717.41827	100.0
718.42224	4.5
746.57489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.4
57.03458	0.6
57.07079	34.1
59.05000	1.1
61.87149	0.4
67.05509	2.6
68.05844	0.5
69.07069	4.6
71.08636	29.6
73.02924	1.0
73.06560	10.2
79.05502	1.2
81.07068	2.1
83.04974	0.6
83.08625	5.5
85.10188	19.1
86.09731	1.3
87.04469	9.9
89.06036	100.0
91.05486	1.3
91.07612	1.5
93.07044	1.8
95.08592	1.0
97.10181	5.1
98.20724	1.0
99.11734	2.8
107.07087	1.5
107.08585	1.5
109.10173	0.5
111.11715	3.8
113.06037	0.4
113.13287	2.0
117.09138	9.3
119.08546	0.6
121.10166	0.6
125.00040	0.6
125.13251	1.6
127.14822	1.4
130.08630	4.1
131.07037	2.4
133.08612	57.4
135.10159	1.5
135.11681	1.0
139.14873	1.3
141.16399	1.7
145.10208	0.5
148.32489	0.4
161.11781	2.9
175.09691	2.2
177.11232	23.9
184.07370	2.8
197.22601	2.2
219.12273	0.8
221.13837	6.1
223.15384	0.7
229.14064	0.4
239.14919	0.9
241.25328	2.8
255.15916	1.6
256.16272	1.7
257.16458	0.6
265.16428	1.8
283.17532	1.8
285.27914	8.2
299.49844	0.4
309.18964	1.3
325.43381	0.5
327.20166	1.0
329.30536	4.7
339.27960	0.5
353.21732	0.5
459.27734	1.2
503.30576	3.4
519.39459	2.2
699.52380	4.8
716.56305	5.2
725.43115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
67.05509	2.5
69.07052	0.6
69.71429	2.8
70.06583	1.7
78.19971	0.5
79.05482	1.3
81.03426	1.1
81.07046	1.6
84.04518	0.9
84.08156	1.2
85.02897	0.9
86.09702	1.5
91.05505	1.0
93.07041	1.2
95.04955	1.3
95.08616	1.2
97.06517	0.8
98.20709	0.6
105.07043	1.3
107.08605	0.9
109.10166	1.4
119.08632	0.6
121.10143	1.2
123.04388	0.8
123.08058	0.8
131.08574	0.5
133.10149	1.2
135.08051	0.8
137.09700	0.7
143.08548	0.9
145.10101	0.7
181.12326	0.5
185.04257	2.1
186.10559	0.7
197.40440	0.6
201.03726	0.9
203.05350	1.0
259.07715	0.6
275.07559	0.7
301.08932	0.8
319.10159	1.2
331.10071	2.3
347.09454	4.0
359.13055	0.8
363.03937	0.5
363.08896	3.5
437.12827	1.1
463.14023	0.9
483.22101	2.0
493.15323	4.4
507.17014	1.3
535.20300	0.8
535.28601	0.6
553.29883	14.7
563.22424	0.8
577.24860	1.9
614.09381	0.6
617.28003	1.3
639.05322	0.7
645.26813	1.2
715.35071	100.0
716.35205	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	714.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.1
55.05505	0.1
56.05030	0.8
57.03417	0.1
57.62204	0.1
58.06624	0.4
59.07386	0.1
60.08166	6.2
67.05515	0.7
69.03436	0.1
69.07047	0.1
71.01031	0.2
71.06985	0.2
71.07375	3.1
72.88134	0.1
79.05486	0.4
80.05830	0.1
80.97435	0.1
81.07058	0.7
83.04993	0.1
83.08614	0.2
86.09707	30.4
87.10085	0.1
88.08666	0.1
91.05490	0.4
92.05831	0.1
93.07027	0.6
95.08615	0.4
97.06494	0.1
98.98465	3.4
104.10744	2.3
105.07023	0.2
107.08604	0.3
109.10165	0.2
119.08571	0.2
121.10140	0.2
125.00007	20.2
131.08603	0.1
133.10156	0.2
135.11700	0.2
143.01062	0.1
145.10146	0.2
153.20647	0.1
163.21107	0.1
166.02727	0.2
184.07343	100.0
185.07721	0.6
194.18240	0.1
238.58200	0.1
255.16051	0.2
256.16248	0.2
257.16870	0.1
434.23047	0.1
452.24033	0.1
486.52106	0.1
517.38080	0.3
520.34113	0.1
573.48798	0.1
714.47028	8.3
715.47144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5512
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	0.4
55.05516	4.8
56.05043	4.0
57.07077	3.0
58.06592	0.4
60.04523	2.6
65.03946	0.8
67.05508	11.7
68.05032	1.3
69.03424	1.1
69.06739	0.5
69.07075	7.9
70.06602	2.2
70.70042	1.0
71.08619	1.8
71.58388	0.3
75.34836	0.3
79.05499	10.4
80.05020	3.0
81.03418	0.7
81.05795	1.2
81.07062	9.9
81.96799	0.3
82.01244	0.3
82.06585	6.4
83.08622	4.4
84.08142	0.3
85.02908	2.4
85.10182	0.6
86.06081	0.5
87.04456	0.4
90.83083	0.3
91.05481	8.4
93.05801	0.7
93.07048	9.1
94.06573	17.6
95.04958	0.7
95.07358	8.6
95.08604	8.4
95.69881	0.3
96.08132	5.1
97.02883	1.3
97.06561	0.4
97.10172	2.7
98.06039	0.5
100.07629	0.3
105.07036	5.7
107.08597	4.3
108.08141	3.2
109.10155	3.2
110.09693	0.6
111.11718	0.7
119.08591	5.5
119.22351	0.4
121.08869	0.6
121.09270	0.4
121.10158	5.9
122.09696	2.6
123.11691	1.5
127.03917	0.4
133.10139	3.9
134.09691	0.3
135.11702	2.5
136.11258	0.8
137.13237	0.7
142.63322	0.4
147.11664	1.7
149.13243	1.4
151.14838	0.5
159.17999	0.4
161.13268	0.9
163.14825	0.7
175.14859	0.5
193.19487	0.7
219.21144	0.5
233.22678	3.8
234.22169	0.5
236.97298	0.3
245.22670	4.1
250.25327	7.3
254.24800	1.0
260.23718	0.4
262.25308	100.0
263.25635	1.6
264.26913	0.6
272.25885	5.1
280.26349	7.7
312.25281	0.8
344.35965	0.4
395.33044	0.4
442.31607	0.5
504.47775	4.5
516.47784	32.1
517.47815	1.2
518.49396	5.7
534.48883	21.9
535.48840	0.8
696.42755	0.5
696.54102	6.9
718.45416	0.4
720.26367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
53.03948	1.9
55.01848	1.3
55.05515	12.8
56.51286	0.5
56.64800	0.4
57.03441	13.3
57.07081	2.4
59.04976	0.5
61.02932	2.0
61.03170	0.4
65.03912	1.6
67.05509	50.9
68.05794	0.4
69.03407	1.0
69.07072	13.0
71.01347	2.2
71.05000	3.7
71.42724	0.4
73.02892	0.8
76.52477	0.4
76.57552	0.5
77.03897	0.6
78.84102	0.4
79.05498	41.8
81.03425	3.7
81.07062	40.2
83.04989	7.8
83.08636	5.7
85.02911	2.6
85.06553	3.0
85.48245	0.4
86.09693	0.5
86.14491	0.4
89.36794	0.4
91.03926	1.4
91.04914	0.9
91.05484	19.2
93.07048	50.5
95.04983	4.4
95.08614	26.7
97.02877	1.1
97.06540	7.9
97.10181	8.3
99.04437	0.9
99.08085	2.3
103.05441	0.4
105.04501	1.0
105.07045	11.5
107.04930	1.1
107.08600	32.6
108.08906	0.6
109.06480	1.5
109.10166	13.2
111.08038	1.6
116.76975	0.4
117.06226	0.6
117.07006	6.3
119.08586	10.7
121.06438	0.8
121.10153	16.2
123.08063	1.0
123.11710	3.4
125.06028	0.7
125.09676	2.2
129.07019	0.9
130.07784	0.7
131.08578	6.6
133.10143	7.6
134.10434	0.5
135.08043	0.8
135.11699	41.5
137.09599	1.4
137.13222	1.2
139.11189	0.5
143.08530	1.2
145.10126	10.6
147.11714	3.1
149.09619	0.6
149.13272	4.3
151.11162	1.4
153.12772	2.0
157.10103	1.1
159.11745	3.3
161.09718	0.5
161.13287	2.6
163.11208	5.1
163.14816	2.4
165.12724	0.6
169.10207	0.4
171.11748	0.7
173.13283	3.2
175.14827	0.9
177.16350	1.0
181.12250	8.6
184.07286	1.2
187.14810	1.0
199.13271	1.1
201.16412	0.4
233.22789	0.5
241.19525	0.5
243.21109	3.4
253.14340	1.9
255.15932	55.9
256.16302	1.0
257.17355	0.6
259.20599	0.6
261.22156	12.1
299.23727	0.5
317.13696	0.5
317.24637	2.1
333.24240	0.6
335.25809	42.0
336.26227	0.9
362.49182	0.4
372.63351	0.4
405.31775	0.5
423.32529	1.3
441.33578	1.1
459.34393	0.7
515.37366	100.0
516.37793	3.5
533.38269	2.6
542.38147	0.5
613.94690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31615	0.9
53.03942	3.4
55.01865	1.4
55.05517	5.4
57.03441	3.3
61.85484	1.0
63.11750	0.8
67.05509	16.1
69.03446	1.6
69.07064	3.9
71.04985	1.4
77.45120	0.9
79.05501	20.0
81.03418	2.7
81.07059	13.0
83.04980	5.3
83.08613	3.4
85.02922	1.5
85.06548	1.2
86.77780	1.0
91.05489	18.5
93.07048	23.4
94.36921	1.1
95.04973	6.6
95.08611	10.2
97.02910	1.0
97.06535	2.7
97.10149	1.1
98.20764	1.5
105.07034	12.9
107.04933	2.1
107.08611	7.0
109.06549	3.0
109.10183	3.4
111.08070	2.1
117.07019	4.0
119.08587	7.2
121.10178	4.2
123.08077	2.7
125.06030	1.9
125.09670	1.2
128.06281	1.1
129.07001	6.6
129.89819	0.8
131.08551	3.0
133.09280	1.1
133.10132	5.9
135.08063	1.1
135.11667	1.3
139.07582	0.9
143.08594	3.1
145.10138	5.2
147.08040	1.5
147.11685	13.2
149.09642	1.3
159.11690	1.9
161.09654	2.7
161.13257	6.5
163.11224	2.7
171.11697	11.8
181.12302	1.3
182.12560	1.1
184.07329	1.8
189.12753	7.2
207.13817	15.4
225.14973	1.4
263.16562	1.2
281.17508	50.7
291.19543	1.5
365.77377	1.0
410.26355	1.0
469.29443	2.5
487.30594	100.0
488.31061	2.1
712.41687	1.1
727.57855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.4
53.03946	6.7
55.01873	15.9
55.05511	57.0
57.03436	10.5
57.07073	2.4
58.87906	1.1
59.04996	2.8
65.03933	4.6
67.05507	58.5
69.03421	4.3
69.07068	34.4
71.04992	8.3
71.52406	1.3
79.05495	63.5
81.03415	13.4
81.07058	72.3
81.38866	1.2
83.04980	20.3
83.08620	34.7
85.02905	8.4
85.06545	4.1
91.05481	48.0
93.07046	57.4
95.04969	100.0
95.08605	34.2
97.02882	1.4
97.06529	7.7
97.10171	20.0
99.04446	7.7
99.08106	2.5
103.05447	2.6
105.07034	47.1
107.04960	18.6
107.08591	46.2
109.06504	16.5
109.10151	19.2
111.04448	22.7
111.08075	11.2
113.06026	1.5
115.05428	1.9
117.07026	21.2
119.04939	1.2
119.08582	47.0
121.06519	16.0
121.10143	31.4
123.04429	1.4
123.08073	29.0
123.11721	3.1
125.05993	3.3
125.09638	18.6
127.11210	1.1
128.06268	2.8
129.06995	12.4
130.07803	1.8
131.08572	25.8
133.00479	2.1
133.06494	4.8
133.10126	21.2
135.08060	13.2
135.11713	13.6
137.09618	7.4
139.07611	1.1
139.11212	3.1
141.07019	2.5
142.07822	1.7
143.08556	11.7
144.09410	1.3
145.00543	1.3
145.06491	3.7
145.10126	34.2
147.08049	20.0
147.11687	15.3
149.09628	37.9
149.13240	1.4
151.07541	2.8
151.11217	3.5
153.09135	4.2
153.12772	4.0
155.08554	2.3
157.10153	8.7
159.08029	3.3
159.11702	14.9
161.09657	13.9
161.13264	4.4
163.11186	38.8
163.14891	1.4
165.09097	1.8
165.12694	2.6
167.08525	1.3
167.10715	1.9
169.10168	5.9
171.10190	3.1
171.11725	7.5
173.07355	1.5
173.09544	2.9
173.11823	2.4
173.13254	3.8
175.11218	6.6
177.12712	6.1
181.10034	1.1
181.12303	7.7
181.26898	1.1
183.11710	4.1
185.09613	1.8
185.13263	3.5
187.11179	4.7
189.11220	19.5
189.12727	2.3
191.10661	2.7
191.14326	1.7
193.12230	4.3
195.11740	1.8
197.07286	2.4
197.13199	1.6
199.11208	2.1
199.14870	1.5
205.12256	5.7
207.13765	2.0
211.13213	2.6
215.14273	1.5
219.13779	2.4
223.13277	55.4
227.12790	3.4
227.18018	3.1
229.19536	3.5
239.17957	3.3
245.19057	3.8
247.20486	2.1
249.14911	2.5
249.60197	1.1
255.17435	4.2
257.18988	7.6
259.20609	1.9
273.18481	35.0
275.20062	69.6
276.20383	1.5
291.19540	63.3
292.20004	1.9
293.12457	1.2
293.21115	50.4
309.15991	6.4
311.22104	2.5
327.17178	3.2
329.20895	1.3
331.22665	2.5
347.18488	1.6
347.22070	7.8
349.23737	19.5
365.23260	2.0
367.24783	59.7
368.24948	1.7
383.19879	17.9
388.47583	1.1
401.20905	59.0
402.21008	1.6
479.12308	1.1
531.36249	1.3
621.40973	2.1
639.42108	3.9
657.40814	2.5
675.40283	15.2
693.41187	46.2
694.40997	1.7
711.43750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.05510	8.1
57.03418	4.5
57.07059	1.8
58.96560	1.2
59.04985	1.2
61.02925	10.5
67.05504	21.3
69.03432	2.8
69.07064	7.8
70.06573	2.4
71.04975	1.5
73.02911	5.3
75.04460	3.2
79.05492	28.5
81.03413	3.3
81.07057	22.5
83.08606	4.1
85.02908	12.2
85.06541	2.2
86.09707	1.4
91.03958	13.1
91.05481	27.2
93.07044	41.0
95.04971	2.7
95.08608	18.5
96.50912	1.1
97.02888	8.1
97.06506	2.2
97.10177	2.3
98.21514	2.9
99.04449	2.1
99.08080	1.9
105.07033	26.1
107.04903	1.5
107.08601	22.9
109.06564	1.5
109.10129	7.4
111.08134	1.2
113.09682	1.7
117.07045	6.9
119.08578	25.0
121.10143	17.3
123.08044	1.5
123.11680	3.1
123.12492	1.1
125.09666	1.1
127.03886	4.8
129.06981	5.2
130.36821	1.2
131.08572	10.9
133.10141	21.1
135.08058	1.5
135.11690	20.4
135.62984	1.2
137.09564	1.3
143.08574	6.5
145.04932	4.3
145.10146	10.1
147.11702	19.0
149.09589	1.3
149.13277	9.2
155.08598	1.8
157.10106	5.4
159.08138	1.3
159.11713	10.4
161.13260	14.9
163.06052	6.6
163.07254	1.1
163.11165	2.9
163.14830	3.2
169.10085	1.6
171.11661	7.2
173.13268	6.3
175.11102	1.2
175.14824	5.0
177.12689	1.6
185.13292	7.2
187.14847	1.5
199.14810	3.7
203.14291	1.3
213.16350	1.4
221.15424	1.4
231.21054	3.8
241.19548	15.9
259.20581	41.7
277.21472	6.1
333.24185	9.5
351.25296	100.0
352.25690	3.0
363.25293	3.2
367.22659	2.6
375.25195	2.5
399.25308	2.1
417.26758	1.3
441.26184	5.8
459.27371	4.5
477.28415	5.6
495.29550	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	710.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01864	0.9
55.05514	6.4
57.03443	3.5
57.07064	1.2
60.47600	0.6
61.02929	11.1
65.03959	0.8
67.05509	15.8
69.03425	2.7
69.07069	7.2
69.35043	1.5
69.35456	3.9
70.06580	1.5
71.04980	1.6
72.08130	1.2
72.75272	0.8
73.02921	3.7
75.04492	1.1
77.03914	0.9
79.05496	20.3
81.03408	2.3
81.07063	17.9
83.04971	2.6
83.08634	3.8
84.08150	1.5
85.02911	14.6
85.06541	2.4
86.09720	1.5
91.03960	10.8
91.04909	1.0
91.05484	22.3
93.07049	25.1
95.04948	3.0
95.08609	11.6
97.02892	7.4
97.06525	2.8
97.10175	1.4
98.20750	1.4
99.04442	1.5
99.08086	1.5
103.03925	0.8
103.05471	0.9
105.07040	26.6
107.04919	1.6
107.08595	17.1
109.02876	0.7
109.06514	1.6
109.10169	6.4
111.08132	1.3
113.09641	1.0
115.05465	1.6
117.07017	6.9
119.08584	23.7
120.08049	0.9
121.10153	14.7
123.08064	1.9
123.11700	1.4
125.09633	0.9
126.28251	0.8
127.03910	3.3
129.07016	5.0
129.10249	0.8
131.08565	9.6
133.09126	1.1
133.10143	22.2
135.08102	0.8
135.11699	13.5
137.09569	1.1
143.08603	4.5
145.04973	5.6
145.10109	9.8
147.11696	18.4
149.09717	1.5
149.13277	6.9
151.07568	1.2
151.11240	0.8
157.10136	6.0
159.11693	9.3
161.09679	1.3
161.13269	13.5
163.06017	9.7
163.11176	3.0
163.14816	2.9
169.10095	1.4
171.11705	7.9
172.08748	0.7
173.13286	5.0
175.11133	0.8
175.14824	6.3
177.12721	1.8
181.10249	0.9
184.07346	1.2
185.13297	5.7
187.14827	1.2
189.12689	1.0
191.14352	1.0
199.14769	3.5
203.14294	1.5
213.16423	1.4
229.00839	0.8
231.21078	3.0
241.19487	14.0
241.21741	1.2
259.20587	42.9
261.22061	0.8
267.69321	0.8
271.20648	0.9
277.21741	1.4
333.24170	1.3
351.25305	100.0
352.25723	2.1
363.25327	2.7
367.22629	1.7
375.25400	1.9
399.25262	0.9
429.26392	1.0
441.26270	2.8
459.27417	1.7
477.28488	3.5
495.29568	4.0
710.33069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00810	1.4
53.03951	10.3
55.01630	2.5
55.01876	31.0
55.05513	68.8
56.73201	1.4
57.03191	2.2
57.03440	24.4
57.07061	3.6
59.05002	3.5
65.03932	4.5
65.52708	1.3
67.05508	95.4
67.17572	1.4
68.06266	1.5
69.03439	10.6
69.07075	40.4
71.01340	3.5
71.05007	9.7
73.02905	5.1
75.04453	2.4
77.03941	2.3
79.05498	78.6
80.06266	1.6
81.03424	18.9
81.07058	87.4
83.04984	32.2
83.08624	48.9
85.02900	7.3
85.06532	6.3
91.04906	2.4
91.05486	67.8
93.07049	75.9
94.04176	1.8
95.04973	100.0
95.08611	40.0
96.05766	3.4
97.02886	13.6
97.06548	16.2
97.10169	29.5
99.04476	10.1
99.08072	4.9
101.06021	1.7
103.05464	3.3
105.04520	3.8
105.07040	50.3
105.29496	1.5
107.04308	2.1
107.04965	26.4
107.08601	54.8
109.02873	2.5
109.06527	27.3
109.10160	44.8
111.04441	15.5
111.08080	13.8
114.60007	1.4
115.05448	3.9
116.04704	5.3
117.07022	27.0
119.04966	2.1
119.08587	47.5
120.69217	1.6
121.06521	19.1
121.09341	2.2
121.10148	30.3
122.07343	1.8
123.04415	6.8
123.08096	18.6
123.11705	4.3
125.05975	4.5
125.09639	29.1
128.06226	3.3
128.57083	1.5
129.05499	17.5
129.07011	9.8
129.93703	1.7
131.04956	1.7
131.08569	26.7
133.06499	6.0
133.10138	27.9
135.08064	22.6
135.11705	19.6
137.05972	2.5
137.09624	26.7
139.07477	3.1
139.11142	6.3
141.06941	1.9
142.07785	2.2
143.07010	2.3
143.08565	9.0
145.06500	4.9
145.10139	31.2
147.08052	14.9
147.11694	16.4
149.09627	41.7
149.13263	4.0
151.07512	4.1
151.11200	4.2
153.09106	11.5
153.12720	4.1
155.08553	4.0
155.10698	3.9
157.08783	10.1
157.09912	10.0
159.08083	4.0
159.11694	18.2
161.09654	10.3
161.13261	4.3
163.07603	2.5
163.11179	39.4
165.09123	5.3
165.12733	6.3
167.07104	1.8
167.10667	2.8
169.10129	4.4
171.06538	2.3
171.07962	1.8
171.10158	6.1
171.11670	7.3
172.60811	1.6
173.09601	5.7
173.11777	4.1
173.13297	4.9
175.11177	6.1
175.14841	1.8
177.12735	5.0
179.10660	1.6
181.08446	1.6
181.10129	1.6
181.12222	8.6
183.11673	4.5
185.09566	1.7
185.13225	4.2
187.11162	5.8
187.14967	2.4
189.09235	2.0
189.11230	25.0
189.12741	2.6
191.10709	4.1
191.14375	3.0
193.12251	9.9
195.11656	2.3
195.13831	3.4
197.13268	4.1
199.13268	3.2
201.12767	2.0
205.12328	8.8
207.13815	2.1
211.13254	4.0
213.12875	1.6
219.13800	2.5
221.11775	4.2
223.13287	64.1
227.12735	9.2
227.17870	2.3
229.14258	12.5
229.19551	4.9
237.14758	2.6
239.12630	3.5
239.17903	5.8
247.20575	2.4
251.16423	3.0
255.15685	8.4
257.19012	11.9
263.20175	2.5
267.16068	2.3
271.16934	1.6
273.18497	25.6
275.20081	77.7
289.17941	4.1
291.19586	27.1
293.17896	2.4
293.21143	42.6
295.15399	1.9
307.19284	3.0
313.16913	1.8
347.22125	9.4
349.23746	17.2
365.23276	19.3
367.20490	2.3
367.24857	34.6
368.25046	1.9
381.22720	3.4
399.23825	30.6
449.28827	4.7
521.34546	6.0
529.35583	2.8
541.34204	1.8
547.36133	1.8
561.38336	1.5
587.35297	2.9
605.36145	2.1
639.42932	7.2
657.43365	6.8
673.42438	5.9
674.44391	1.7
691.44763	16.2
709.41687	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	709.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.4
51.13708	2.4
53.03946	12.8
54.51622	2.5
55.01873	17.1
55.05517	63.7
57.03437	21.2
57.07068	3.4
59.05006	3.7
61.02913	4.2
62.82698	2.5
65.03938	7.0
67.05510	91.1
69.03435	22.7
69.07072	35.8
71.01347	3.9
71.04993	16.8
71.52865	3.3
73.02924	3.7
75.04485	5.8
79.05495	100.0
81.03424	44.2
81.06593	5.6
81.07061	94.9
83.04992	36.1
83.08619	43.3
85.02918	12.9
85.06541	10.0
91.05485	76.8
93.07048	87.0
95.04974	84.3
95.08610	49.3
97.02895	13.4
97.06541	24.5
97.10184	17.3
99.04440	13.4
99.08092	4.3
103.05457	2.6
105.04480	3.1
105.06326	2.5
105.07039	55.0
107.04965	26.1
107.08604	59.8
109.02867	7.7
109.06509	15.3
109.10154	28.6
111.04422	13.7
111.08086	14.1
113.05970	3.1
115.05431	4.7
116.06232	2.7
117.07009	28.9
119.04985	4.0
119.06176	2.4
119.08582	43.0
121.06541	15.9
121.09355	2.8
121.10170	37.0
123.04430	4.8
123.08090	16.9
123.11700	3.1
125.06003	9.0
125.09638	17.8
127.03918	9.1
127.07571	2.3
128.06229	5.8
129.05540	4.9
129.07007	13.0
131.08571	29.0
133.06483	5.6
133.10139	43.5
135.08049	15.6
135.11703	43.1
137.09650	12.2
139.11176	2.7
141.07021	3.6
142.07811	4.2
143.08569	11.2
145.06528	2.7
145.10138	46.8
147.08043	13.1
147.11719	16.0
149.09642	33.5
149.13290	3.0
151.07576	6.2
151.11156	7.4
153.09074	4.2
155.08549	5.7
157.10136	12.3
159.08073	6.6
159.11674	18.4
161.09625	10.5
161.13254	6.4
163.11174	49.4
165.07028	3.8
165.09091	4.4
165.12750	5.2
167.08513	3.0
167.10660	5.9
168.52220	2.8
169.10144	6.7
171.11659	7.4
173.09637	6.8
173.11827	4.7
173.13257	9.5
175.11201	8.5
177.09201	2.9
177.12761	7.2
179.65038	2.5
181.10057	4.1
181.12241	24.0
183.11647	2.7
185.13326	5.3
187.07581	2.9
187.11176	6.8
189.11232	14.1
189.12735	4.3
191.10567	3.1
193.12239	3.3
195.11783	3.3
195.13725	2.6
197.11610	3.3
197.13306	6.1
199.14922	5.0
201.12790	4.2
203.14391	2.9
205.12267	5.4
207.13762	4.9
213.58070	2.4
215.14273	3.0
215.65559	2.4
219.13872	3.9
221.15341	4.9
223.13281	40.5
227.12798	6.5
229.19698	3.6
233.15372	6.1
239.18193	3.1
247.20735	3.5
251.16452	29.4
253.14162	3.1
255.15880	34.1
257.19028	10.5
261.21729	2.7
273.18567	13.4
275.20093	76.8
289.18042	4.1
291.19525	19.1
293.21124	41.9
307.19077	3.4
313.35587	2.5
317.20886	3.9
325.16425	7.9
331.22934	3.5
347.22144	3.9
349.23740	25.5
365.23279	8.8
367.24817	39.0
381.18832	5.7
381.23172	3.0
399.19913	24.6
399.24088	2.8
401.20706	4.5
450.92868	3.3
455.31760	2.7
491.39584	2.9
511.33902	3.5
529.35284	40.4
547.36377	86.8
618.05121	3.3
655.38666	3.8
673.39130	9.7
685.08234	2.9
691.40430	34.7
709.41168	13.3
714.23425	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
53.03941	7.3
55.01626	1.6
55.01872	15.4
55.05515	33.2
55.54797	1.4
57.03437	9.1
57.07074	2.5
59.05001	2.9
62.07505	1.0
62.17196	1.0
65.03933	4.4
67.05505	52.1
69.03438	7.5
69.06728	1.8
69.07072	22.0
71.04995	8.4
73.02930	1.8
75.04472	1.3
79.05497	57.4
81.03424	13.8
81.07057	100.0
82.07413	1.7
83.04984	20.4
83.08625	19.2
84.51428	1.0
85.02917	7.7
85.03376	1.1
85.06540	4.4
86.09751	1.4
91.03952	1.6
91.05483	44.7
92.05786	1.7
93.07049	47.5
94.07352	1.5
95.04971	26.6
95.08607	27.2
97.02902	3.3
97.06531	12.7
97.10171	19.6
99.04446	5.1
99.08080	3.0
103.05426	2.5
105.04504	2.0
105.06308	1.9
105.07031	36.4
107.04967	15.2
107.08600	25.3
109.02859	1.9
109.06529	16.4
109.10156	17.8
111.04443	16.8
111.08103	9.3
114.26643	1.1
115.03152	1.0
115.05467	3.1
116.06213	1.1
117.01039	1.5
117.07023	18.7
119.04935	2.1
119.08588	31.4
121.06525	13.2
121.10138	18.7
123.04451	2.6
123.07201	2.5
123.08071	33.1
123.11700	1.9
125.05996	3.3
125.09630	16.0
128.06218	1.8
129.05537	1.4
129.07018	11.4
130.07780	1.6
131.08574	20.6
133.00494	2.0
133.06490	5.7
133.10136	12.8
135.08064	11.2
135.11700	14.2
137.05959	2.2
137.09608	8.5
139.07594	1.6
139.11203	2.3
141.06989	3.2
142.07780	2.7
143.08571	8.9
145.06517	3.0
145.10127	23.4
147.08051	13.8
147.11676	8.1
148.76524	1.1
149.09625	10.8
151.07549	2.1
151.11206	1.8
153.09099	3.4
153.12747	9.5
155.08548	4.1
157.10162	8.4
159.08047	4.1
159.11684	7.0
161.09633	10.4
161.13232	3.2
163.11192	21.1
165.09134	4.1
165.12764	1.5
166.07890	1.6
167.08466	1.8
167.10730	2.9
169.10158	4.2
171.08081	1.1
171.10228	2.5
171.11703	7.9
173.07344	1.2
173.09625	6.6
173.13249	2.8
175.11159	4.3
177.09114	1.6
177.12737	3.0
179.10660	1.8
181.10109	2.3
181.12259	9.4
182.10757	1.2
182.12399	1.2
183.11693	3.7
185.09637	2.1
185.13289	2.5
187.11250	1.8
189.11218	14.6
189.12801	2.9
191.10693	8.5
193.12309	4.3
195.11752	2.9
197.07373	2.2
199.11224	1.3
201.09180	1.3
203.10712	1.1
203.14397	1.2
205.12239	2.7
207.13806	1.7
209.13316	1.7
211.13237	1.4
213.12724	2.1
219.13872	1.8
221.15503	1.7
223.13342	10.0
227.12794	16.5
227.17924	3.5
233.15450	1.4
237.16380	3.2
245.19022	1.9
249.14861	2.5
251.16508	4.1
255.17421	5.1
257.19019	2.6
273.18503	42.7
274.18765	1.3
275.20032	9.2
276.20425	1.4
283.15424	5.8
289.17944	2.7
291.19550	85.3
293.21231	1.6
309.16269	5.8
309.20673	4.2
329.21094	1.7
347.22195	8.9
365.23242	26.4
367.24655	2.1
368.25464	1.4
383.19821	8.0
401.20877	19.3
416.83173	1.4
529.35138	4.7
547.36163	1.6
637.40576	2.8
655.40631	2.4
673.38501	5.1
691.39490	19.0
709.40515	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	709.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03943	5.8
55.01873	16.7
55.05513	32.7
57.03439	6.3
57.07074	2.0
58.96615	0.6
59.05003	1.5
59.08242	0.6
65.03922	4.0
66.04717	0.7
67.05507	46.5
69.03434	4.7
69.07072	22.2
69.79085	2.6
71.04999	4.4
75.00060	0.8
77.03933	0.7
79.05023	1.1
79.05494	55.0
81.03420	10.3
81.07056	100.0
82.07391	1.2
83.04985	20.5
83.08148	1.1
83.08619	14.8
85.02900	6.1
85.06554	3.4
89.01612	0.8
90.99553	0.8
91.05482	39.8
93.03410	0.6
93.07045	41.8
94.04185	0.9
95.04974	21.9
95.08607	23.6
97.02882	1.5
97.06528	9.8
97.10172	17.4
98.20726	0.7
99.04437	4.8
99.08109	1.9
103.05458	2.1
105.04506	1.5
105.07034	32.8
107.04956	12.4
107.08595	24.1
109.06525	14.0
109.10158	14.3
111.04439	18.9
111.07374	0.9
111.08086	10.1
113.06004	0.6
115.05436	2.9
116.06234	1.1
117.01062	1.1
117.07017	17.5
119.04961	1.3
119.08585	32.6
121.06515	11.7
121.10148	17.9
123.04442	1.5
123.08063	35.1
123.11696	1.2
125.05992	2.4
125.09626	16.4
128.06238	3.3
129.00995	0.7
129.06998	8.7
130.07771	1.6
131.02545	0.8
131.08566	21.3
132.05753	0.7
133.00545	1.1
133.06487	5.3
133.10136	11.8
135.08043	7.5
135.11703	12.6
137.05901	1.0
137.09601	6.8
137.13232	0.6
139.11214	1.2
141.06979	2.5
142.07774	1.7
143.08562	10.0
145.06470	2.3
145.10123	22.1
146.07288	0.8
147.08054	14.3
147.11690	6.5
149.09615	11.5
149.13301	1.3
151.07510	1.3
151.11201	1.9
153.09108	4.3
153.12750	7.4
155.08566	3.9
157.10120	9.0
159.08046	3.4
159.11696	8.9
161.09631	8.3
161.13300	1.5
162.10431	0.8
163.11188	19.9
165.09157	4.1
165.12711	1.4
166.07753	0.7
167.08562	1.0
169.10115	3.3
171.08029	1.5
171.10172	2.6
171.11687	7.0
173.09616	4.9
173.11876	0.7
173.13257	2.1
175.11195	4.6
177.09111	0.9
177.12767	2.2
179.10619	1.0
181.10121	2.1
181.12230	11.2
183.05728	0.7
183.11702	2.0
185.09624	1.7
185.11842	0.6
185.13284	4.5
187.11240	1.5
187.14859	0.8
189.11234	14.3
189.12752	1.7
191.10663	8.9
193.12202	2.8
195.11655	2.1
197.07272	2.8
197.13243	1.5
199.11165	1.9
199.14804	0.9
201.12799	0.8
205.12202	2.2
207.13847	0.6
209.11729	1.7
209.13394	1.2
211.13118	0.8
213.12730	1.3
213.16362	1.1
217.12460	0.7
219.13795	1.1
223.13261	11.2
227.12769	15.0
227.17961	2.7
231.13730	0.6
233.15300	0.7
235.13196	0.9
237.16423	1.8
245.18903	4.6
249.14937	3.0
249.35402	0.6
251.16418	0.8
255.17500	6.5
263.20047	1.2
273.18491	42.9
274.18790	1.1
275.20026	2.5
283.15439	5.8
289.17868	1.4
291.19540	89.3
292.19846	1.7
293.21222	1.5
309.16223	5.9
309.20554	3.7
327.16965	1.4
329.17535	1.1
329.21094	1.4
338.02640	0.7
347.22153	10.0
349.23740	1.0
360.85904	0.6
365.23227	26.4
383.19879	9.0
383.24289	1.0
401.20929	17.9
513.31909	1.4
531.33124	1.1
553.29059	1.6
609.32465	0.9
619.39178	0.9
637.40308	2.9
655.40863	2.4
673.38629	8.5
691.27899	1.1
691.39581	19.6
709.28925	1.0
709.40582	16.2
710.41083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
53.22015	0.8
55.01881	4.5
55.05271	1.4
55.05519	18.5
56.05853	0.9
57.03437	2.1
61.02921	2.8
65.03964	0.9
67.05514	14.3
69.03410	2.5
69.07075	7.5
70.06605	5.2
71.04998	2.7
71.20854	0.8
71.30898	0.9
71.52667	1.2
72.08149	2.5
79.05501	16.4
81.03426	4.2
81.07068	15.5
83.04979	7.9
83.08629	15.7
84.04520	1.9
84.08139	3.5
85.02917	5.8
85.06544	1.9
86.09702	4.4
91.03994	2.0
91.05495	12.4
93.07051	14.4
95.04981	44.7
95.08612	11.4
97.02887	1.5
97.06532	3.1
97.10168	8.1
99.04449	14.4
105.07041	13.1
107.04978	4.7
107.08607	17.7
109.06562	4.7
109.10160	7.0
110.07139	1.7
111.04453	6.0
111.08081	3.4
115.07592	0.8
117.07039	5.1
119.08595	12.4
120.08096	1.4
121.06510	3.9
121.10161	10.8
123.08076	3.6
125.09647	8.9
127.03915	1.6
129.07042	1.5
129.10252	1.3
130.07651	1.0
131.08585	8.1
133.10164	9.4
135.08064	3.4
135.11693	5.3
136.07576	2.5
137.09651	2.2
139.11182	1.1
143.08556	2.1
145.06525	0.9
145.10135	10.5
147.08049	4.2
147.11723	7.0
149.09651	16.5
149.13187	1.0
151.11050	1.0
153.09195	1.0
153.12727	1.2
155.08403	1.1
157.10135	1.8
159.11697	5.6
161.09627	3.8
161.13303	2.3
163.03873	1.1
163.11198	17.1
165.09152	1.1
165.12805	1.5
168.98230	0.9
169.10107	2.3
173.09688	1.3
173.13271	1.2
175.11102	2.0
177.12743	2.8
181.12213	1.0
183.11700	1.5
184.07401	1.3
187.11211	3.3
187.14914	1.6
189.11238	7.8
189.12802	2.8
193.12250	1.6
197.13197	1.5
205.12234	4.6
223.13304	27.3
227.12787	1.7
229.19655	1.8
239.16196	6.8
247.20665	2.1
257.19034	5.2
275.20078	35.9
293.21152	32.0
296.83032	0.9
297.17026	2.9
349.06848	0.9
349.23767	12.7
367.24829	100.0
368.25159	2.4
385.25967	6.3
470.74304	1.0
501.02039	0.9
541.65295	0.9
612.32263	1.1
709.42267	1.9
709.78857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01881	3.1
55.05513	16.3
57.03442	4.7
57.07074	0.5
58.74771	0.5
61.02919	2.7
65.03943	1.1
67.05506	13.2
69.03419	2.4
69.07071	8.1
69.25594	0.6
69.25925	5.1
70.06589	3.7
71.04984	2.3
71.47253	0.5
72.08136	1.3
73.02917	1.3
76.58932	0.6
79.05496	13.9
81.03423	3.2
81.07059	14.5
83.04991	6.2
83.08623	11.0
84.04489	0.9
84.08150	2.7
84.61671	0.6
85.02913	5.3
85.06541	1.4
86.09717	2.5
88.33083	0.5
91.03951	1.9
91.05482	11.7
93.07043	13.3
95.04972	29.8
95.08604	8.6
97.02902	2.6
97.06551	3.4
97.10177	5.7
98.20704	1.2
99.04478	4.5
105.07031	11.3
107.04948	5.2
107.08599	14.5
109.06511	3.6
109.10159	5.9
110.57133	0.5
111.04440	7.9
111.08112	2.6
117.07025	4.4
119.08583	9.5
120.08053	0.9
121.02729	0.5
121.06496	3.2
121.10143	9.0
123.08049	3.4
123.11692	1.6
125.06076	0.6
125.09618	5.8
127.03964	1.0
129.06996	1.5
129.10210	1.8
131.08571	6.3
133.10114	6.9
133.36678	0.6
135.08060	2.9
135.11688	4.3
137.09633	1.6
139.11205	1.0
143.08582	2.1
145.04994	0.6
145.06494	0.8
145.10127	8.6
147.08047	1.9
147.11668	3.5
149.09631	12.6
151.11273	1.0
153.09090	1.0
153.12738	1.9
154.08600	1.7
155.08533	0.7
157.10066	1.2
159.11716	4.5
161.09666	1.5
161.13272	1.3
163.11194	13.5
165.12785	1.8
168.80470	0.7
168.81842	0.6
169.10107	1.3
171.11726	1.4
173.09592	0.9
173.13239	1.6
175.11165	1.6
177.12764	1.9
177.61049	0.6
181.12234	1.5
183.11723	0.7
187.11197	2.0
189.11244	3.3
189.12744	0.9
191.10741	0.9
193.12270	0.7
197.13292	1.1
205.12187	3.0
211.13283	0.9
223.13300	16.0
227.12740	1.3
229.19667	0.7
239.18097	0.7
247.20631	0.9
257.19052	3.4
262.12781	0.5
275.20096	22.1
276.20428	0.6
293.21112	16.1
293.70084	0.6
311.22046	1.0
349.23767	7.5
367.24805	100.0
368.25183	2.4
385.25986	1.1
424.30630	0.6
425.30945	0.6
489.40274	0.6
493.27814	0.7
511.29095	0.9
529.30377	3.2
602.00909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02586	1.4
52.13200	1.3
53.03944	6.3
55.01870	14.8
55.05511	38.1
57.03160	2.1
57.03438	29.1
57.07070	4.1
61.02929	10.3
65.03938	2.8
67.05508	49.3
69.03425	11.6
69.07065	14.8
70.06592	7.9
71.01351	2.5
71.04982	7.7
71.52145	1.8
72.08135	3.2
73.02930	6.6
79.05497	56.4
81.03420	90.3
81.07055	59.0
82.04204	4.6
83.04987	32.2
83.08158	2.4
83.08627	37.0
84.02113	2.1
84.04481	1.8
84.08148	6.6
85.02440	2.7
85.02910	35.0
85.06545	4.4
85.32321	1.3
86.09693	4.9
91.03931	3.3
91.05483	51.4
93.07045	35.8
94.07825	1.6
95.04372	2.6
95.04966	43.5
95.08611	20.2
97.02906	11.4
97.06528	10.9
97.10172	20.8
98.03172	1.5
98.07307	6.4
99.04468	4.8
99.08070	2.0
103.05499	1.7
105.07031	35.7
107.04953	16.3
107.08604	22.0
109.02891	3.3
109.06530	10.1
109.10156	15.8
110.07168	2.5
111.04453	10.9
111.08089	18.5
112.08717	1.5
113.06001	3.1
115.05447	2.9
116.04725	14.5
117.07031	8.7
119.04919	1.8
119.08588	36.7
120.08082	2.4
121.06483	6.8
121.10152	16.2
123.08099	7.8
125.09630	21.6
127.03958	2.3
128.06233	1.7
129.05496	34.0
129.06989	17.1
129.10246	2.4
131.08571	20.3
133.06468	5.6
133.10133	19.7
135.08058	3.5
135.11693	8.5
137.09607	4.5
139.07497	2.1
142.07745	3.1
143.07065	9.3
145.06432	2.1
145.10104	9.0
147.08058	5.7
147.11691	22.1
149.09628	11.3
153.12726	4.6
155.08559	2.2
155.10666	2.4
157.08603	17.0
157.10118	22.9
158.05717	2.0
159.11693	2.2
163.11169	14.3
164.11908	1.6
165.12761	6.0
171.06532	5.1
171.10193	5.7
173.09596	3.6
173.11728	6.1
175.11206	23.0
181.12250	8.0
184.07346	2.4
185.08005	1.5
185.11697	2.3
189.11295	7.5
191.10667	5.7
193.12247	78.9
199.13295	16.6
200.13994	1.6
209.11758	9.7
211.13295	100.0
212.13692	1.6
217.27698	1.4
223.13370	3.2
227.12810	17.6
229.14264	3.1
247.13364	2.0
249.14980	1.7
255.15958	2.7
267.15924	28.5
269.17422	3.2
273.18637	2.7
275.19980	3.8
283.15430	12.9
285.16974	70.0
286.17447	1.9
291.19589	4.2
301.16458	70.7
306.63138	1.6
329.86511	1.7
339.17938	3.5
365.23264	15.2
409.25708	4.4
419.24619	1.6
424.30676	2.4
427.26825	4.2
437.25168	3.9
439.26993	18.2
459.27289	5.5
475.26730	3.3
476.27182	2.8
477.28192	4.8
493.14630	10.7
493.27988	17.2
494.28616	7.7
511.15500	5.2
511.29047	72.1
636.73932	1.7
713.90912	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77770	1.6
53.03944	9.9
55.01869	8.4
55.05268	3.0
55.05515	37.2
57.03440	22.2
57.07065	5.6
59.04996	5.9
65.03938	6.3
67.05509	89.7
69.03086	2.1
69.03437	24.6
69.07073	22.4
69.30391	3.4
69.30801	10.4
71.05000	9.9
73.02906	3.4
75.04462	2.7
77.03902	2.8
79.05501	66.8
81.03425	100.0
81.07063	97.4
83.04989	38.8
83.08628	29.3
85.02907	23.8
85.06548	6.9
87.04473	1.9
91.05482	62.3
93.07049	75.4
95.04977	32.8
95.08617	52.0
97.02896	22.2
97.06556	11.3
97.10165	8.5
98.21670	2.8
99.04456	6.2
99.08074	5.9
105.04523	2.2
105.07037	53.3
107.04962	10.9
107.08604	36.1
109.02891	13.6
109.06525	10.2
109.10172	27.3
111.04459	17.1
111.08100	12.1
113.06039	3.7
115.05426	3.2
117.07024	15.7
119.08593	45.5
121.06490	7.2
121.10155	36.5
123.04424	2.8
123.08083	9.2
123.11695	10.0
125.06010	4.1
125.09623	6.3
127.03936	10.7
128.06207	3.0
129.05504	10.5
129.07021	14.7
131.08582	33.9
133.06512	5.4
133.10136	28.7
135.08061	6.3
135.11703	19.5
137.06030	2.4
137.09610	3.5
137.13298	2.2
139.11261	3.3
141.09045	2.0
142.07776	5.7
143.08601	9.5
145.06511	3.7
145.10133	20.0
147.08058	7.7
147.11714	24.3
149.09648	8.9
149.13286	6.7
151.07527	3.0
151.11237	2.6
153.12767	5.2
155.08591	5.1
157.06487	2.8
157.10120	21.4
159.08087	3.3
159.11722	13.5
161.09644	3.7
161.13290	9.8
163.03981	2.1
163.11163	12.4
163.14847	3.0
165.09105	2.4
165.12781	4.6
167.08463	1.8
169.10211	2.3
171.08031	3.4
171.11722	8.0
173.09641	3.1
173.11960	1.8
173.13261	7.8
175.11172	15.6
175.14778	2.4
181.10217	1.9
181.12201	9.4
183.11751	4.3
184.07208	2.0
185.09628	3.1
185.13240	4.1
187.11221	3.9
187.14786	5.5
189.12753	1.9
191.10674	7.5
191.14308	3.3
193.12259	47.0
195.11725	3.2
197.13252	2.7
199.11122	1.9
203.14365	1.8
209.11630	2.9
209.13376	2.4
211.13281	63.0
227.10803	2.4
227.12735	10.3
229.14363	6.0
249.15002	3.5
251.16380	2.4
259.20551	3.7
261.22141	11.1
267.15945	15.8
273.18427	3.3
275.20142	4.4
283.15414	4.7
285.16974	19.0
289.18170	1.8
291.19595	2.0
301.21857	2.5
303.23505	1.9
317.24786	2.7
333.24402	2.2
335.25864	67.1
335.29956	3.2
337.27438	7.7
351.23288	3.4
355.17584	4.0
369.24280	6.8
387.25220	5.4
393.19116	2.0
405.26349	2.5
427.19919	2.8
429.21320	16.0
443.28058	3.7
453.33691	2.7
461.28683	3.7
471.34619	3.1
479.29758	3.1
527.37500	19.2
543.37195	2.0
545.38422	68.9
546.38971	2.2
569.37372	2.0
653.40271	6.5
671.41083	5.5
689.42706	38.5
707.42596	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	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94622	1.0
51.02374	1.1
53.03951	7.2
55.01873	37.3
55.05516	51.5
56.31856	1.1
57.03440	13.6
57.07078	13.2
59.05003	2.8
61.02924	1.5
61.35421	1.2
65.03945	5.8
66.09282	1.2
67.05508	65.3
69.03433	11.6
69.06734	2.1
69.07074	29.0
70.06593	5.8
71.01329	2.4
71.05000	7.5
72.08135	2.3
73.02902	3.1
75.04466	1.4
77.03886	1.2
79.05497	63.9
80.06264	1.4
81.03429	19.1
81.07060	100.0
82.04196	1.3
83.04986	27.4
83.08624	26.5
85.02900	6.7
85.06538	3.3
86.09697	4.1
86.16479	1.1
87.04493	1.4
91.04908	2.0
91.05485	47.3
93.07050	58.6
94.04173	1.2
94.07313	1.5
95.04974	32.3
95.08605	30.6
96.05736	2.9
97.02898	10.3
97.06538	15.6
97.10173	31.0
98.03651	1.2
99.04463	4.7
99.08081	4.1
101.09713	1.2
105.03410	1.4
105.04524	1.6
105.07037	35.9
107.04962	21.7
107.08597	36.6
108.05776	1.4
109.02859	3.8
109.06522	22.6
109.10162	31.4
111.04451	20.5
111.08086	12.5
113.06033	1.4
113.09623	1.3
115.05487	2.8
116.04700	1.6
117.05576	2.2
117.07017	18.3
119.05005	1.7
119.08584	34.1
120.08095	1.3
121.06528	12.3
121.10148	22.4
122.07296	3.4
123.04462	8.0
123.08078	27.1
123.11726	3.1
124.08904	1.1
125.05999	3.1
125.09634	32.2
127.03935	2.0
127.07522	1.7
127.11200	4.4
128.06241	2.5
129.05527	6.1
129.07007	9.9
130.07762	2.3
131.04930	1.2
131.08585	19.9
133.06493	5.1
133.10136	17.6
135.04451	1.3
135.08064	15.4
135.11705	18.3
137.05981	4.3
137.09625	30.5
138.10446	1.8
139.07570	2.3
139.11151	2.5
141.07027	2.2
142.07841	1.9
143.08543	6.1
143.10678	1.5
145.06473	4.7
145.10135	19.4
147.04398	1.1
147.08072	14.0
147.11702	11.3
149.05972	1.3
149.09630	12.6
149.13266	3.6
151.07562	5.0
151.11200	3.5
152.08286	1.2
153.09146	9.6
153.12724	9.2
155.08537	4.2
155.10674	2.3
157.08733	2.5
157.10141	8.1
158.05736	3.1
159.08026	4.3
159.11755	7.8
161.09599	12.1
161.13277	1.5
163.07503	2.0
163.11188	23.5
165.09145	9.2
165.12799	3.1
167.10690	2.7
167.17915	1.1
169.10124	3.1
171.06551	6.1
171.07864	1.7
171.10167	3.1
171.11705	5.9
173.04544	1.5
173.09630	5.7
173.11754	3.3
173.13190	2.1
174.60883	1.1
175.11197	7.3
175.14763	2.0
177.09117	1.8
177.12770	1.5
179.10663	3.8
181.10089	1.9
181.10637	1.7
181.12270	12.5
183.10139	1.3
183.11688	2.1
185.08095	2.6
185.13329	3.5
187.11172	3.9
189.09383	1.7
189.11221	28.5
189.12747	2.2
191.10695	11.8
191.14366	1.2
193.12270	8.6
195.11813	1.6
195.13750	1.8
197.11725	1.3
199.09648	1.7
199.11278	2.9
199.13161	1.6
199.14882	1.5
201.12846	1.3
201.14882	2.7
203.10660	2.3
205.12262	1.9
209.11736	2.7
211.13094	2.3
211.14975	1.6
215.14392	2.1
219.13844	1.5
221.11641	5.9
221.15294	1.5
223.13297	6.1
227.12788	17.0
229.14258	4.3
233.15469	2.7
237.14499	1.4
237.16585	1.5
239.12770	4.5
245.13945	1.9
245.19006	4.9
249.14864	2.8
255.15900	5.4
255.17888	2.5
261.18515	2.0
263.20065	3.3
267.10150	1.3
267.15909	2.1
271.17230	1.7
273.18506	35.3
274.18811	1.6
275.20026	5.0
279.15915	1.2
281.16891	1.2
283.15451	2.5
289.18060	5.9
290.18915	1.6
291.19540	62.3
292.19913	1.9
295.15381	4.6
299.20081	1.4
307.19086	3.4
309.20712	5.6
319.52679	1.2
326.12241	1.4
340.62836	1.2
347.22159	14.7
349.23825	3.7
363.21753	1.4
365.23209	22.3
381.22696	4.7
383.24335	3.0
399.23752	5.0
421.25687	1.8
425.15109	1.2
438.63470	1.3
439.26373	1.5
440.27429	2.6
447.27832	2.5
519.32562	1.8
527.33514	2.4
535.32678	1.8
541.34949	1.5
545.35547	4.0
551.31897	3.3
603.34460	1.4
621.35693	1.3
637.41125	1.9
653.40204	2.0
655.41644	5.1
671.40875	2.5
689.42773	8.4
707.43634	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	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77770	1.6
53.03944	9.9
55.01869	8.4
55.05268	3.0
55.05515	37.2
57.03440	22.2
57.07065	5.6
59.04996	5.9
65.03938	6.3
67.05509	89.7
69.03086	2.1
69.03437	24.6
69.07073	22.4
69.30391	3.4
69.30801	10.4
71.05000	9.9
73.02906	3.4
75.04462	2.7
77.03902	2.8
79.05501	66.8
81.03425	100.0
81.07063	97.4
83.04989	38.8
83.08628	29.3
85.02907	23.8
85.06548	6.9
87.04473	1.9
91.05482	62.3
93.07049	75.4
95.04977	32.8
95.08617	52.0
97.02896	22.2
97.06556	11.3
97.10165	8.5
98.21670	2.8
99.04456	6.2
99.08074	5.9
105.04523	2.2
105.07037	53.3
107.04962	10.9
107.08604	36.1
109.02891	13.6
109.06525	10.2
109.10172	27.3
111.04459	17.1
111.08100	12.1
113.06039	3.7
115.05426	3.2
117.07024	15.7
119.08593	45.5
121.06490	7.2
121.10155	36.5
123.04424	2.8
123.08083	9.2
123.11695	10.0
125.06010	4.1
125.09623	6.3
127.03936	10.7
128.06207	3.0
129.05504	10.5
129.07021	14.7
131.08582	33.9
133.06512	5.4
133.10136	28.7
135.08061	6.3
135.11703	19.5
137.06030	2.4
137.09610	3.5
137.13298	2.2
139.11261	3.3
141.09045	2.0
142.07776	5.7
143.08601	9.5
145.06511	3.7
145.10133	20.0
147.08058	7.7
147.11714	24.3
149.09648	8.9
149.13286	6.7
151.07527	3.0
151.11237	2.6
153.12767	5.2
155.08591	5.1
157.06487	2.8
157.10120	21.4
159.08087	3.3
159.11722	13.5
161.09644	3.7
161.13290	9.8
163.03981	2.1
163.11163	12.4
163.14847	3.0
165.09105	2.4
165.12781	4.6
167.08463	1.8
169.10211	2.3
171.08031	3.4
171.11722	8.0
173.09641	3.1
173.11960	1.8
173.13261	7.8
175.11172	15.6
175.14778	2.4
181.10217	1.9
181.12201	9.4
183.11751	4.3
184.07208	2.0
185.09628	3.1
185.13240	4.1
187.11221	3.9
187.14786	5.5
189.12753	1.9
191.10674	7.5
191.14308	3.3
193.12259	47.0
195.11725	3.2
197.13252	2.7
199.11122	1.9
203.14365	1.8
209.11630	2.9
209.13376	2.4
211.13281	63.0
227.10803	2.4
227.12735	10.3
229.14363	6.0
249.15002	3.5
251.16380	2.4
259.20551	3.7
261.22141	11.1
267.15945	15.8
273.18427	3.3
275.20142	4.4
283.15414	4.7
285.16974	19.0
289.18170	1.8
291.19595	2.0
301.21857	2.5
303.23505	1.9
317.24786	2.7
333.24402	2.2
335.25864	67.1
335.29956	3.2
337.27438	7.7
351.23288	3.4
355.17584	4.0
369.24280	6.8
387.25220	5.4
393.19116	2.0
405.26349	2.5
427.19919	2.8
429.21320	16.0
443.28058	3.7
453.33691	2.7
461.28683	3.7
471.34619	3.1
479.29758	3.1
527.37500	19.2
543.37195	2.0
545.38422	68.9
546.38971	2.2
569.37372	2.0
653.40271	6.5
671.41083	5.5
689.42706	38.5
707.42596	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	707.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.5
53.03955	10.7
55.01872	20.6
55.05509	42.8
57.03436	22.3
57.07063	3.7
61.02908	4.4
65.03926	5.2
67.05502	82.4
69.03087	2.9
69.03431	34.1
69.07070	30.3
69.75227	1.4
70.06595	11.6
71.01349	3.8
71.04987	12.6
71.08617	1.4
71.52901	2.6
77.03934	1.9
79.05013	2.2
79.05493	81.2
81.03419	57.3
81.07054	100.0
82.07359	2.5
83.04977	32.8
83.08617	21.2
84.04491	2.1
84.08138	1.6
85.02900	17.0
85.06538	5.9
86.09686	5.6
91.03951	1.9
91.04911	1.7
91.05482	58.7
93.07043	74.2
95.04969	33.8
95.08609	35.7
97.02887	20.2
97.06531	22.5
97.10163	33.2
99.04418	8.4
99.08117	3.7
103.05505	2.8
105.04498	3.6
105.06319	2.2
105.07024	43.3
106.07321	2.0
107.04954	18.7
107.08591	58.8
107.46326	1.4
109.02898	16.9
109.06522	17.3
109.10165	21.5
109.32310	1.5
111.04433	22.3
111.08073	11.6
113.06039	2.4
115.05433	4.3
117.07016	26.1
119.04930	3.1
119.08576	36.8
121.06489	19.9
121.10149	21.4
123.04439	5.8
123.08063	25.5
123.11744	4.1
125.05971	2.6
125.09633	27.7
127.03899	12.0
128.06241	3.6
129.05492	3.8
129.06996	13.8
131.04941	2.6
131.08562	22.1
133.06490	8.9
133.10130	22.7
135.08060	12.2
135.11688	45.9
137.06026	3.3
137.09599	13.5
139.11154	2.2
141.06961	3.8
143.08589	9.8
145.06483	6.5
145.10104	25.5
147.04385	1.6
147.08041	15.3
147.11682	9.8
149.05983	2.9
149.09608	11.7
149.13223	2.9
151.07574	2.0
151.11160	5.5
153.09081	5.2
153.12740	9.1
155.08557	5.1
157.06502	1.6
157.10117	10.2
159.08069	5.4
159.11681	9.2
161.09613	18.3
161.13228	2.8
163.07568	3.0
163.11197	28.4
165.05522	1.5
165.09120	7.4
165.12737	3.4
167.10683	2.5
169.10112	5.1
169.12167	2.0
171.08160	2.2
171.10237	2.1
171.11691	7.2
173.04462	4.8
173.09627	4.4
173.11775	2.1
173.13185	3.2
175.11174	8.4
177.09096	3.3
177.12764	3.4
179.10701	2.2
181.10078	1.9
181.10664	2.0
181.12239	19.8
183.06477	1.7
183.11688	4.9
184.07339	1.8
185.09595	2.8
185.13260	3.8
187.11156	3.5
189.09283	3.2
189.11220	19.1
189.12762	3.3
191.10677	6.4
192.11412	1.9
193.12206	5.9
195.11626	2.1
197.13287	3.2
199.11185	3.2
199.13293	2.1
201.12746	2.5
203.10588	2.7
203.14442	2.2
205.12244	4.3
207.13808	1.5
209.11685	2.8
211.11249	2.7
213.12816	1.8
217.12204	2.5
223.11356	1.6
223.13107	7.4
225.12819	2.1
227.12753	22.6
229.12242	3.6
229.14276	2.2
233.15442	2.5
235.13205	2.1
237.14729	2.5
243.13658	1.8
245.19025	3.7
247.13354	2.8
249.14967	4.3
253.14293	6.1
255.15797	40.4
263.19974	2.3
265.14493	1.7
273.15454	3.4
273.18472	52.2
275.20093	7.3
279.16037	3.1
283.15384	5.7
285.14777	2.0
289.17908	2.5
291.19522	73.5
297.18384	2.6
303.19424	1.8
304.85791	1.6
307.15384	3.1
309.20642	4.7
315.19464	2.2
325.16391	6.1
347.22144	11.5
349.23648	3.3
357.20563	2.2
365.23270	22.3
367.24634	2.0
381.18628	7.7
399.20255	12.5
417.22485	2.2
425.25198	5.3
447.27200	2.8
463.26822	2.6
471.31311	2.3
527.33905	18.7
545.34644	56.2
551.28650	2.0
563.35675	5.3
611.35352	2.7
641.36670	2.5
653.36768	2.7
671.37390	6.3
689.39105	23.1
693.57220	1.8
707.40137	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	707.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.00295	1.8
53.03950	9.0
55.01872	19.9
55.05514	44.2
57.03442	8.7
57.07074	1.6
59.04998	4.2
65.03942	6.0
66.61469	1.4
67.05509	61.2
69.03442	8.4
69.07069	44.5
69.97181	4.3
71.04984	7.4
75.04508	2.0
77.03929	1.6
79.05498	72.2
81.03422	20.2
81.07059	100.0
82.07363	1.4
83.04987	17.5
83.08617	20.7
83.09068	2.2
85.02919	7.9
85.03365	1.3
85.06541	2.7
86.09743	2.6
90.99523	1.9
91.05487	66.0
93.07050	59.6
95.04977	29.3
95.08616	28.4
97.02892	6.0
97.06535	12.4
97.10172	21.6
99.00831	3.9
99.04449	4.0
99.08110	2.8
103.05473	4.3
104.10751	5.3
105.04514	3.3
105.07035	52.3
107.04961	21.8
107.08598	38.3
108.08957	1.5
109.02869	7.9
109.06525	18.2
109.10154	22.0
111.04440	8.8
111.08088	8.6
113.05982	2.3
115.05478	5.0
116.06267	1.8
117.01051	3.5
117.07019	25.9
118.87228	1.2
119.04932	2.9
119.08590	52.0
121.02823	1.9
121.06515	21.7
121.10159	19.4
123.04451	6.1
123.08066	25.8
123.11713	3.5
125.00011	1.3
125.09631	18.5
128.06232	4.4
129.05482	2.0
129.07005	13.6
130.07777	2.6
131.04904	1.3
131.08571	23.8
133.00522	4.3
133.06496	7.5
133.10136	27.6
133.11111	2.4
135.04381	1.9
135.08055	24.2
135.11679	11.1
137.05992	1.9
137.09625	12.2
139.07587	2.2
139.11217	2.2
141.07050	3.3
141.09030	1.4
142.07739	2.6
143.08566	13.7
145.00481	1.5
145.06500	7.4
145.10129	21.9
145.11163	2.0
147.08058	15.2
147.11713	9.5
149.05927	1.2
149.09657	12.4
149.13277	3.3
151.11206	5.9
153.09097	4.5
153.12724	2.3
155.05933	1.3
155.08603	4.7
155.27164	1.2
157.10147	10.2
157.95166	1.2
159.08069	8.8
159.11719	8.9
161.09619	17.0
161.13235	2.9
163.07562	10.7
163.11188	16.1
165.09122	4.5
165.12866	1.7
167.08531	1.4
168.97646	1.3
169.10130	5.8
171.08038	3.4
171.10350	2.4
171.11742	6.2
173.04486	1.5
173.09668	5.0
173.13274	3.9
175.11180	5.9
175.14899	2.2
177.09094	2.3
177.12787	3.3
179.10722	4.4
181.10185	2.5
181.12260	3.6
183.11787	2.2
184.07375	5.6
185.13298	4.6
187.11182	4.3
187.14870	1.4
189.09186	3.7
189.11223	9.5
189.12827	3.7
190.53209	1.5
191.10707	4.2
193.12248	26.1
195.11679	2.1
197.07323	5.2
197.13385	1.9
199.11226	2.2
199.14796	1.9
201.12865	1.8
203.14423	2.0
205.12564	1.3
211.13170	1.8
211.14888	1.7
213.06883	1.3
213.12704	1.6
213.16522	1.9
221.11690	1.4
223.13353	3.7
225.11154	1.4
227.12709	6.4
227.17944	2.5
243.17534	2.1
245.19090	2.3
249.14824	4.3
255.17572	6.1
261.18567	3.5
271.17004	8.5
273.18512	35.2
275.20093	3.3
289.17978	33.0
291.19547	71.6
307.19028	4.5
309.16171	8.4
327.17175	3.4
347.22269	4.7
349.23886	1.9
351.26181	1.3
363.21640	13.2
381.22763	4.5
383.19806	6.0
401.21005	5.1
489.36023	2.4
513.36810	1.3
520.33923	3.4
545.37756	2.7
653.39899	2.1
671.39160	1.9
689.38043	16.6
707.39154	99.6
708.39740	3.6
727.11823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
52.39143	0.6
53.03942	4.5
55.01876	15.5
55.05515	31.0
57.03445	5.9
57.07074	1.6
59.04999	1.9
65.03943	5.0
66.04709	0.7
67.05508	39.6
68.05837	1.1
69.03438	6.8
69.07072	16.4
69.27993	5.5
70.95690	0.5
71.04996	5.9
71.08643	0.9
75.04485	1.2
77.03929	0.9
79.05498	52.0
80.05855	0.6
81.03421	10.4
81.07061	100.0
82.03769	0.6
82.07368	0.8
83.04489	1.0
83.04988	19.9
83.08148	1.3
83.08620	13.9
85.02908	5.9
85.06557	3.0
86.93132	0.5
91.05486	37.0
93.03394	0.6
93.07050	37.4
94.04189	1.2
94.07414	0.9
95.04978	27.4
95.08611	21.1
96.08920	1.1
97.02893	3.1
97.06532	8.9
97.10180	16.4
98.21454	1.3
99.04449	3.6
99.08095	1.6
101.01562	0.7
102.99497	0.8
103.05483	2.1
105.04536	1.6
105.07037	27.6
106.07333	0.7
107.04967	13.0
107.08600	28.3
109.02879	3.0
109.06530	9.3
109.10164	13.2
111.04446	19.0
111.08098	8.3
113.06015	0.9
115.05440	3.0
116.06203	1.3
117.01085	1.6
117.07024	17.2
119.04958	0.9
119.06108	0.9
119.07873	0.7
119.08591	27.8
121.06518	12.6
121.10149	12.1
123.04463	2.3
123.08075	28.1
123.11734	1.5
125.01492	0.9
125.06018	2.4
125.09639	14.5
127.03908	0.6
128.06271	2.0
129.01010	1.4
129.04578	0.6
129.05498	1.0
129.07016	6.4
130.07797	1.7
130.98985	2.0
131.02678	0.7
131.04976	1.2
131.08575	16.1
132.05714	1.0
133.06485	4.1
133.10139	11.3
135.04427	1.0
135.08061	18.5
135.11690	11.3
137.06026	1.1
137.09618	9.3
139.07571	1.1
139.11240	1.1
141.01044	0.8
141.07037	1.4
142.07765	1.2
143.08559	8.2
143.10699	0.7
145.06499	4.4
145.10126	16.1
147.08072	10.3
147.11699	6.1
149.05945	0.5
149.09641	7.9
149.13313	1.6
151.07497	1.3
151.11220	1.7
153.04572	0.9
153.09119	3.8
153.12720	7.0
155.08559	4.3
155.10675	0.6
156.09306	0.6
157.04286	0.6
157.06512	1.4
157.10147	6.3
159.08092	3.9
159.11736	6.0
161.09630	9.2
161.13345	1.6
163.07535	5.3
163.11189	16.5
165.09079	4.5
165.12822	1.0
166.07741	0.7
167.08600	1.0
167.10744	0.7
169.10136	2.7
171.05676	4.0
171.08072	1.3
171.10196	2.2
171.11739	4.5
173.09648	4.7
173.13277	2.3
175.11159	4.2
175.14894	0.9
177.09193	1.0
177.12807	2.2
179.10762	1.6
181.10442	1.0
181.12234	9.1
183.11752	2.6
185.09723	1.6
185.13326	2.5
187.11205	2.4
187.14888	0.9
189.06827	0.9
189.09348	1.3
189.11243	15.4
189.12764	1.7
191.10678	7.7
193.10747	0.8
193.12239	3.8
195.11708	1.2
195.14003	0.6
199.05286	2.7
199.11145	1.1
199.14867	0.9
201.12784	0.7
201.16432	0.6
203.10727	1.0
203.14426	0.8
205.12259	1.9
207.13841	0.6
209.11807	2.2
210.77887	0.6
211.13269	1.3
211.15009	1.4
213.12799	0.9
215.14375	0.8
217.12239	0.6
219.13919	0.7
221.11722	1.2
221.15532	1.0
223.13293	9.6
225.11153	0.8
225.16559	1.4
227.12778	17.4
227.14888	1.1
227.17969	1.8
231.17473	1.1
233.15427	0.9
243.17476	2.7
245.19063	2.3
249.14957	2.0
249.18735	0.7
251.16499	0.6
253.15926	0.8
255.17554	3.5
257.19006	1.3
261.14716	0.6
261.18475	1.3
263.20117	1.3
267.16003	0.8
271.17062	3.7
273.18506	28.7
275.20145	2.9
276.20346	0.8
279.15207	1.6
282.29877	0.6
283.15353	6.7
289.18048	9.0
291.19550	66.7
292.19965	1.0
307.14682	1.4
307.18930	0.5
309.20721	4.0
325.15759	1.9
325.20523	0.5
329.21353	0.8
347.22174	5.5
349.24033	0.8
363.21695	0.7
365.23248	23.0
399.19345	36.8
454.59702	0.6
527.37152	1.7
529.31354	1.1
545.37891	2.3
569.29132	1.5
625.31891	1.0
653.40509	1.9
671.40784	1.8
689.38092	20.2
690.38898	1.3
707.39069	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	707.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.5
55.01872	13.5
55.05516	30.8
56.05024	7.7
57.03435	16.9
59.04987	3.6
60.04516	4.7
61.02930	56.5
65.03965	2.8
67.05180	3.4
67.05512	44.2
69.03430	29.1
69.07070	23.8
69.50703	7.7
69.51123	9.6
70.06599	52.8
71.01353	3.1
71.04971	8.1
72.08170	20.2
73.02925	26.3
74.06068	3.7
79.05499	41.7
81.03421	35.3
81.07066	69.5
83.04986	15.3
83.08622	15.7
84.04523	12.8
84.08148	38.8
85.02914	74.5
85.06544	4.2
86.09711	44.9
87.04478	6.0
87.05592	2.8
87.10034	3.3
87.13503	2.6
88.03999	3.3
89.06022	7.8
91.03966	30.0
91.05486	32.1
93.07051	32.1
94.77282	2.2
95.04980	15.5
95.06107	2.2
95.08635	17.9
97.02306	4.2
97.02895	56.5
97.06510	10.3
97.10178	27.5
98.20792	5.1
99.04476	6.7
99.08059	4.4
101.02359	6.3
102.05581	4.3
103.03947	3.2
103.05484	3.9
105.07033	20.6
107.04961	11.4
107.08590	22.4
109.02899	17.0
109.06517	10.8
109.10156	15.3
110.07154	9.3
111.04449	11.4
111.08115	7.1
115.03946	4.1
115.08704	3.1
117.07020	10.4
119.04961	4.3
119.07908	2.4
119.08599	22.5
120.08085	12.6
121.06496	10.6
121.10159	14.9
123.08066	22.9
125.09645	27.8
127.03933	21.1
129.05472	4.7
129.07025	5.9
129.10248	19.7
131.08609	13.3
133.06442	2.8
133.08516	2.8
133.10123	14.3
135.08020	10.1
135.11678	9.6
136.07587	9.9
137.05997	5.3
137.09607	8.9
139.07545	2.7
139.11186	3.6
143.08577	8.3
145.04948	8.4
145.10143	16.3
147.08020	10.8
147.11694	7.6
149.09633	10.0
149.13263	3.0
153.09097	4.8
153.12717	4.7
155.08519	3.1
157.10107	10.7
159.06583	2.8
159.07996	4.4
159.11659	8.1
161.09642	9.9
163.06027	3.6
163.11230	19.5
165.09126	6.2
165.12749	4.1
171.11624	4.6
173.09702	4.6
173.13112	3.6
175.11243	6.3
175.14746	3.1
177.12726	2.5
181.12271	8.5
183.06525	7.1
187.11244	3.9
189.11237	30.0
189.12758	5.0
191.10622	6.6
193.12180	5.7
199.11073	2.6
201.07581	2.9
223.13353	5.8
227.12753	20.3
227.17867	6.9
245.19109	6.4
255.17384	5.7
263.20224	4.0
267.16049	2.8
273.18512	48.7
276.02667	2.3
291.19553	100.0
292.19766	2.8
299.80911	2.4
301.11899	7.2
309.20599	18.7
315.19687	3.3
347.22159	15.9
365.23239	58.1
383.24350	42.2
389.23187	5.7
407.24384	6.8
473.25024	8.0
491.26428	10.1
509.27692	12.4
527.28278	10.1
545.29041	3.3
674.88861	2.7
688.18774	3.4
707.34125	4.5
707.50488	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	705.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03946	13.3
55.01870	18.6
55.05514	34.8
57.03443	15.0
57.07070	3.5
57.77911	1.5
59.05013	2.2
61.02913	2.4
65.03943	5.0
67.05507	84.8
69.03435	35.5
69.07072	24.3
69.26982	11.5
71.01344	2.1
71.05003	14.7
73.02930	2.8
76.00629	1.5
77.03899	1.3
79.05497	66.3
81.03421	100.0
81.07057	78.6
83.01344	2.0
83.04495	2.1
83.04984	32.7
83.08624	21.3
83.09075	3.0
85.02913	15.0
85.06522	3.0
86.09708	5.1
87.04461	1.7
91.05488	50.4
91.43993	1.5
93.07045	68.1
95.04962	16.7
95.08612	49.3
95.09123	1.0
97.02898	32.8
97.06538	11.4
97.10174	21.8
98.20747	3.0
98.42971	1.4
99.04473	16.3
99.08110	2.6
101.02335	1.9
103.05463	1.8
105.04512	2.9
105.07030	38.6
107.04955	12.9
107.08601	43.8
108.62150	1.4
109.02884	25.0
109.06528	8.2
109.10155	28.7
111.04446	31.0
111.08084	13.7
115.05480	3.0
117.07013	22.6
119.08590	32.9
121.06494	6.6
121.10151	31.5
122.00962	1.5
123.04449	3.6
123.08057	5.2
123.11690	6.7
124.99993	5.3
125.05935	1.9
125.09641	14.9
127.03931	20.2
128.06189	2.4
129.05473	3.2
129.07021	11.0
130.07799	2.2
131.04881	2.3
131.08577	32.3
131.88637	1.3
133.06488	3.0
133.10136	23.6
135.04405	2.3
135.08046	6.2
135.10692	2.5
135.11685	29.3
137.05942	3.2
137.09595	2.1
137.13261	1.8
141.06941	3.2
142.07773	3.1
143.08572	11.7
145.06477	4.1
145.10124	30.5
145.11276	1.6
147.08061	3.2
147.11687	18.3
149.05936	2.1
149.09619	5.7
149.13278	7.3
151.11197	3.1
153.09138	1.3
153.12755	24.8
155.08508	8.6
156.09387	2.7
157.06555	1.6
157.10146	12.5
159.08099	2.6
159.11711	18.2
161.09581	3.2
161.13275	5.9
163.11197	24.1
163.14894	1.8
167.08524	3.1
169.10107	6.4
171.11691	7.4
173.04478	26.9
173.09570	6.8
173.13225	12.0
175.11147	3.3
175.14832	3.1
181.10091	4.6
181.12224	22.9
183.07979	2.0
183.11685	5.2
184.07347	18.1
185.07678	2.0
185.13278	5.7
187.11156	2.5
187.14807	4.1
189.11230	10.4
189.12654	2.1
191.10678	20.2
191.14381	1.8
193.12288	3.9
195.11650	2.7
197.09598	1.4
197.13257	3.7
199.11230	2.6
199.14835	3.8
201.16531	2.3
209.11731	9.9
209.13399	1.9
211.13229	3.0
213.16458	2.5
215.14638	1.4
217.15938	1.4
218.96146	1.3
221.13248	2.4
225.12802	1.3
227.12802	51.6
238.01459	1.5
243.21089	2.7
245.13800	1.9
259.20496	5.7
261.22162	9.3
265.14297	2.7
267.15851	2.7
271.20517	2.1
273.22327	1.6
275.20090	3.9
281.22604	1.9
281.64365	1.4
283.15399	24.4
297.22012	2.4
299.23663	8.4
301.16504	4.8
301.21594	2.7
309.21750	1.9
313.21710	1.7
315.23157	2.2
317.24747	5.2
323.23572	1.6
333.24207	4.7
335.22086	2.8
335.25815	47.1
339.23331	1.8
341.24512	1.8
351.22977	1.9
353.16113	7.5
357.24200	1.6
369.24054	4.1
371.17029	2.1
387.25076	3.7
405.25998	2.3
423.32782	2.1
424.07587	1.6
425.26422	1.6
427.19733	16.9
433.30878	4.5
443.28122	2.0
451.32214	8.2
461.28854	1.8
469.32956	5.1
487.33871	3.1
507.34775	2.1
515.37170	5.4
525.35779	23.2
541.34808	2.5
543.36810	69.4
544.37250	2.6
561.37762	10.3
585.37347	1.7
609.37250	1.6
613.37537	2.6
623.42273	2.0
651.39514	2.6
669.39893	4.8
687.40991	28.4
705.42017	33.8
706.42847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01884	11.8
55.05269	2.2
55.05513	27.3
57.03437	9.9
57.07084	2.0
61.02923	5.6
65.03936	6.0
67.05505	73.5
69.03433	20.9
69.07068	30.3
70.06592	5.9
71.01375	1.6
71.05015	8.3
71.52232	2.2
72.08141	1.7
73.02919	2.8
79.05495	59.3
81.02930	2.1
81.03421	48.8
81.07057	100.0
83.04986	19.4
83.08617	14.5
84.08120	3.1
85.02914	12.8
85.06559	5.8
86.09710	3.2
91.03969	2.0
91.04906	2.1
91.05482	54.5
93.07047	56.9
93.07636	2.8
95.04967	18.5
95.08608	38.4
97.02896	23.1
97.06526	18.9
97.10172	8.3
99.04458	5.0
99.08072	2.7
101.02398	1.5
103.05434	3.0
105.04509	2.7
105.07034	44.8
107.04954	15.3
107.08596	40.4
109.02882	11.9
109.06525	18.7
109.10159	21.4
110.07218	1.3
111.04451	5.1
111.08073	7.4
115.05475	3.5
117.07024	19.9
119.04923	2.2
119.08585	32.5
121.06522	8.0
121.10141	21.2
123.04449	2.5
123.08057	5.7
123.11700	8.4
125.09644	4.6
126.27818	1.3
127.03920	16.8
128.06245	2.4
129.05458	3.8
129.07024	9.5
129.10228	1.4
130.07843	1.5
130.17654	1.4
131.04916	2.5
131.08568	27.5
133.06479	4.7
133.09142	2.2
133.10124	27.3
135.08075	7.3
135.11681	11.4
137.05975	2.2
137.09610	4.6
139.11165	2.1
141.01862	2.9
141.06999	4.3
142.07761	1.9
143.08565	10.3
145.04941	2.6
145.06476	4.5
145.10124	18.1
147.04398	1.4
147.08022	5.4
147.11681	20.7
149.06021	2.2
149.09616	13.4
149.13237	11.6
151.07635	1.4
151.11183	4.6
155.08548	5.2
157.10123	9.1
159.08061	3.3
159.11674	18.6
161.09636	4.8
161.13277	6.6
163.06044	3.1
163.07458	2.6
163.11185	9.2
163.14827	1.5
165.09190	1.7
165.12759	4.4
169.10155	3.7
171.08081	1.6
171.11620	6.7
173.04471	5.0
173.09647	3.8
173.13223	7.1
175.11197	4.6
177.12735	7.7
179.14275	1.5
181.10165	1.8
183.11740	5.3
185.09613	2.1
185.13283	3.9
187.06068	7.5
187.07465	1.3
187.11166	2.7
187.14880	2.6
189.11166	2.9
189.12727	3.2
189.16351	2.0
191.10658	1.9
193.12292	2.1
195.11697	3.5
195.13831	6.5
197.13248	5.0
199.11140	2.4
199.14803	2.6
201.12762	2.5
205.07137	2.7
205.12218	1.7
205.15752	1.3
207.13774	1.9
208.43999	1.3
211.14951	1.6
213.12891	1.4
213.14799	2.5
215.14241	1.4
219.13788	1.4
227.12746	2.7
229.14206	2.0
229.19540	2.9
239.17973	3.3
247.20605	3.1
251.16536	1.5
257.15475	2.0
257.18991	9.4
267.16019	5.2
269.17480	12.3
271.17157	1.7
273.18442	2.4
275.20074	64.0
283.20447	1.4
285.17053	1.7
287.20187	1.3
289.18124	1.4
291.19653	1.3
293.21088	9.5
299.24094	1.4
303.15717	1.7
327.23395	1.5
331.22714	1.7
339.17911	6.0
347.22156	1.4
349.23737	28.6
359.37741	1.4
367.24875	3.6
371.21826	1.9
383.21579	1.5
385.82565	1.2
386.65240	1.1
389.54501	1.2
395.20654	6.4
401.23239	2.3
413.21768	15.3
419.24301	2.4
433.31116	1.7
451.31967	3.4
457.26138	1.8
469.33112	3.4
475.26590	1.6
490.29074	2.3
493.28461	1.8
508.29901	1.6
512.82562	1.3
515.37164	1.9
525.36011	13.5
543.36859	49.8
544.36908	2.2
559.35687	1.5
561.37567	4.2
585.37482	1.7
627.38556	1.9
651.38702	2.7
657.40479	1.6
669.39581	5.3
687.41034	24.7
705.31317	1.8
705.42206	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	705.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42083	0.8
78.95639	1.1
85.91229	0.6
89.46036	0.6
91.01359	0.6
94.93021	3.1
96.92249	1.0
98.92049	0.6
100.33683	0.6
105.73310	0.6
107.37766	0.7
110.16020	0.7
112.89607	77.6
114.89346	29.0
116.89155	1.5
166.28485	0.6
172.92270	1.5
188.89714	4.2
196.87813	2.5
204.86996	3.7
212.84349	5.9
212.85001	4.7
214.83911	1.3
214.89449	0.7
219.02728	1.0
231.93907	1.9
246.78511	1.6
260.76230	0.7
266.75241	0.7
289.89883	1.3
304.74442	0.9
305.87085	1.2
318.72214	0.8
320.71790	1.0
322.71359	1.1
348.39371	0.7
365.10452	0.8
543.13245	19.9
705.18506	100.0
706.19141	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	704.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76925	0.7
55.01857	1.4
55.05513	0.9
56.05011	0.9
57.61508	0.9
67.05474	1.2
69.03419	3.0
69.07041	1.2
69.85423	3.5
70.06597	6.3
72.08144	2.6
74.06049	0.8
79.05484	2.3
80.05012	1.3
81.03436	2.3
81.05772	1.0
81.07071	1.9
82.06566	1.2
83.22669	0.7
84.04484	2.3
84.08151	5.1
85.02908	6.3
85.06541	2.4
86.09722	4.6
88.92147	0.7
90.93738	0.8
91.05486	3.6
93.07050	6.5
94.06569	7.4
95.04983	0.7
95.07352	7.5
95.08595	2.0
96.08141	18.6
97.02876	2.1
97.06537	0.9
98.21474	1.0
103.05471	1.3
106.06543	0.7
107.07352	1.0
108.07436	1.1
108.08128	14.8
109.02865	0.7
109.08894	1.8
110.06050	0.8
110.07178	1.3
110.09692	35.2
118.06570	1.0
120.08117	24.4
122.06055	1.9
122.09686	1.6
123.11711	0.9
124.07606	1.0
124.54031	0.7
127.03942	1.1
127.08804	0.7
129.10254	2.2
136.07596	12.4
137.13213	0.9
138.05525	1.1
138.09145	48.5
138.81898	0.8
144.95728	0.8
146.06000	3.8
148.07591	8.2
150.09149	3.7
154.08638	1.7
155.14374	0.7
166.08652	83.1
166.83694	0.7
174.05502	0.9
178.08606	0.8
181.04909	1.5
191.16454	1.7
199.08727	0.8
206.08069	0.9
206.97089	0.8
211.08733	2.7
213.10210	1.1
222.09123	1.0
223.08711	1.8
225.10158	4.0
227.08200	3.3
229.09776	1.0
237.10263	10.7
238.10970	1.6
239.08224	4.8
239.11809	3.3
241.09778	4.4
243.11574	1.1
249.10313	0.8
251.08237	4.5
253.09738	14.6
254.10382	0.9
255.11261	3.6
260.21078	0.8
265.09732	26.0
266.07593	0.8
266.10535	2.3
267.00977	0.8
267.07971	3.8
267.11276	7.4
269.09253	2.6
277.09735	1.4
278.08261	0.7
279.07867	1.7
281.09222	17.2
283.10825	15.8
287.10349	3.6
293.09241	18.5
293.12433	1.6
294.10013	1.2
295.10779	17.5
297.08667	0.9
297.12033	1.1
298.09546	1.0
299.10168	6.4
301.11975	2.6
309.08777	5.7
309.12009	1.3
311.10263	17.7
313.11832	4.5
321.08746	11.1
325.11707	1.3
327.09796	19.7
327.13403	0.7
331.13083	1.5
339.09766	33.3
341.11426	3.2
343.13101	1.2
353.11374	4.7
359.12387	37.8
367.32425	0.7
371.12378	23.3
388.16650	3.9
400.16495	1.7
418.17828	6.5
436.18771	1.3
446.17191	7.4
448.18784	2.8
464.18204	20.9
466.19757	2.8
474.16721	5.3
478.19897	0.9
492.17697	100.0
493.18134	2.7
506.19119	9.1
510.18411	1.2
524.20319	73.1
525.20563	1.3
654.22736	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	704.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.43399	0.7
55.01874	0.9
61.02940	1.1
65.03957	0.7
67.05496	1.4
69.03449	3.9
69.07076	0.8
70.06591	9.5
71.51844	1.1
72.08154	4.4
72.08487	0.7
73.02900	0.7
74.06063	0.6
78.55560	0.7
79.05489	2.4
80.04999	0.8
81.03417	2.4
81.05798	1.1
82.06567	1.5
84.04527	1.6
84.08148	8.7
85.02910	5.9
86.09708	6.6
91.05451	2.4
93.07034	6.4
94.06583	8.5
95.04944	0.9
95.07353	7.2
96.08135	19.2
97.02898	2.1
97.06540	1.6
99.04494	0.8
102.05553	1.3
103.05462	1.3
107.05000	0.9
108.07434	1.2
108.08119	13.4
109.02885	1.0
109.08923	0.9
110.05999	0.8
110.07181	0.9
110.09689	31.3
118.06560	0.8
120.08112	21.9
121.06499	1.1
122.06026	0.7
122.09661	1.6
124.07584	1.9
127.03929	1.1
129.10262	5.5
136.07579	9.2
137.05975	0.8
138.05537	1.9
138.09142	46.4
146.06006	13.0
147.04503	0.8
148.07578	8.3
150.09161	3.8
152.07127	0.9
154.08670	1.1
155.08170	0.8
160.07552	0.7
164.07092	1.0
166.08643	83.5
166.29074	0.7
172.03973	1.1
174.05499	2.1
181.05016	0.9
196.26112	0.7
204.06570	1.4
206.08162	3.1
211.08769	1.8
213.10269	1.4
223.08688	1.7
224.09467	0.9
225.10237	4.3
227.08234	1.7
237.10216	8.6
238.11028	1.1
239.08163	6.0
239.11870	2.8
241.09622	4.3
242.10504	0.7
243.11284	1.2
249.10324	1.2
251.08200	3.1
252.08876	0.9
253.09740	11.1
255.07646	1.1
255.11310	3.7
265.09729	22.6
266.08011	0.9
266.10513	2.5
267.07828	4.0
267.11255	6.6
268.08704	0.8
269.09302	2.3
277.09860	1.0
279.07587	1.3
281.09225	15.0
283.10788	13.5
287.10297	3.2
293.09222	16.7
294.10114	1.0
295.10760	15.2
299.10275	6.1
301.11780	3.7
309.08746	3.9
311.10269	14.8
313.11847	5.2
321.08688	7.4
322.06964	0.8
325.11868	2.2
327.09763	15.6
327.13156	1.0
331.13129	1.4
339.09775	30.6
341.11469	3.1
343.12866	0.8
353.11362	4.0
359.12381	34.9
371.12384	19.9
372.17044	0.7
386.15137	1.3
388.16537	1.5
398.37704	0.7
400.16711	1.7
416.16153	1.7
418.17780	5.5
428.16434	1.5
436.18564	2.4
446.17117	7.8
448.18814	2.9
464.18146	15.7
466.13638	0.9
466.19669	5.7
474.17163	3.3
492.17685	100.0
493.17740	3.3
506.19296	5.7
510.18750	3.1
524.20313	80.9
525.20264	2.6
542.21307	1.7
654.22778	3.2
686.24762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	1.6
51.02380	2.9
52.54610	1.4
53.03950	14.7
54.08947	1.4
54.69852	1.3
55.01878	6.8
55.05272	2.3
55.05513	30.2
57.03439	17.4
57.07075	3.4
57.37518	1.3
61.02921	2.6
64.48986	1.2
65.03943	7.2
67.05507	100.0
69.03429	38.1
69.07065	20.8
71.01357	1.2
71.04991	8.1
73.02911	3.1
77.03928	2.4
79.05494	98.9
81.03420	51.3
81.07056	89.0
83.04980	20.6
83.08615	13.1
85.02908	22.5
85.06535	4.7
86.09705	2.8
87.04472	2.4
89.06008	1.7
91.05483	83.2
93.07046	95.5
95.04972	24.1
95.08609	56.7
97.02900	10.3
97.06536	7.8
97.10163	5.6
99.04475	7.2
101.02417	2.7
103.05457	4.4
105.04536	6.3
105.07030	55.2
107.04962	12.6
107.08595	37.6
109.02876	7.3
109.06517	7.5
109.10155	19.2
109.33046	1.2
111.04437	4.1
111.08086	3.7
115.05457	6.1
117.06233	2.2
117.07017	30.4
119.08582	36.0
121.06516	6.0
121.10138	22.9
123.08065	6.1
123.11712	3.6
125.09687	1.5
127.03909	11.0
128.06271	8.1
129.05472	5.0
129.06996	23.9
131.03453	1.7
131.04932	3.6
131.08569	29.7
133.06519	8.0
133.10130	18.2
135.08063	3.8
135.11702	14.0
137.05937	1.7
137.09583	2.7
137.13304	2.0
141.06989	4.1
142.07787	2.3
143.08569	16.4
145.06490	10.0
145.10117	18.4
147.08044	6.3
147.11671	23.7
149.05922	1.9
149.09607	1.3
149.13254	6.8
151.11145	1.5
155.08545	6.4
157.06509	4.5
157.10095	7.6
158.07269	1.7
159.08049	6.2
159.11664	7.6
161.05896	1.5
161.09627	4.8
161.13278	13.9
163.11200	2.4
163.14885	1.7
167.08620	3.5
168.09424	1.5
169.10141	5.7
171.08058	5.8
171.11688	22.0
173.04480	7.6
173.09595	2.1
173.13280	7.3
175.11209	1.7
175.14844	2.3
177.12782	2.7
179.14282	1.9
181.10066	3.9
183.11713	2.8
184.07320	6.9
185.09607	3.2
185.13301	3.3
187.11229	2.6
187.14905	2.6
189.09183	1.7
189.12791	8.1
191.14256	1.8
195.11772	2.4
197.13216	3.2
199.14859	3.2
201.12744	1.5
203.14375	1.7
207.13777	17.0
213.12827	1.5
213.16391	1.5
215.14276	1.5
217.15955	2.5
219.13962	2.0
223.14857	5.0
225.14761	2.2
227.14307	2.0
233.13113	1.7
241.15878	4.9
243.20932	1.5
251.14305	3.2
257.15384	2.8
259.17023	5.6
261.22055	7.5
269.15369	7.1
271.16962	1.5
275.16446	1.9
279.15991	2.2
281.17450	20.8
287.16425	16.5
293.17535	2.1
305.17532	3.4
309.16797	2.2
317.24808	2.3
333.16898	2.9
335.25806	88.2
336.25934	1.5
343.19070	3.0
351.17975	4.0
351.22879	1.8
361.20135	3.9
379.21198	1.7
389.19675	1.5
407.20511	2.9
425.21634	10.1
452.39691	1.6
496.02289	1.8
541.38928	61.6
542.39191	2.8
555.40125	2.9
583.39825	2.2
621.41168	4.5
685.42859	5.9
703.44232	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	703.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01877	8.3
55.05515	29.9
57.03442	10.8
57.07059	2.3
59.04972	1.4
60.57367	1.0
61.02927	6.8
65.03925	3.1
67.05509	40.5
69.03086	1.6
69.03432	21.6
69.07072	15.8
70.06576	1.0
71.01363	1.6
71.04986	7.6
73.02905	3.9
77.03928	1.3
79.05499	35.4
81.03422	43.8
81.07059	40.8
83.04986	13.2
83.08627	14.3
85.02910	11.5
85.06528	2.5
87.04441	1.5
91.03961	3.4
91.05484	33.9
93.06486	2.0
93.07049	31.0
95.04986	11.2
95.08604	23.2
97.02902	16.9
97.06519	4.4
97.10172	22.1
98.21515	2.5
99.04458	6.3
99.08112	2.1
103.05483	2.1
105.04501	1.4
105.07034	27.9
107.04960	7.0
107.08597	24.6
109.02888	7.3
109.06553	5.8
109.10169	13.1
111.04440	4.5
111.08066	4.7
113.06008	1.5
115.05463	2.0
117.07033	15.2
119.04914	1.8
119.08587	22.7
121.06501	4.0
121.10139	10.9
123.08065	5.2
123.11710	1.3
125.09639	16.9
127.03922	7.0
128.06227	5.1
128.10872	1.1
129.05493	2.6
129.07007	16.0
130.07858	1.4
131.04897	1.1
131.08583	22.8
133.06497	3.5
133.10132	17.1
135.08014	6.3
135.11685	6.5
137.09619	2.4
141.07007	4.9
142.07803	3.0
143.08568	15.3
144.09261	1.1
145.06470	3.7
145.10118	19.4
147.08049	4.0
147.11681	8.7
149.09637	4.2
149.13281	1.8
151.11186	2.1
153.07010	2.6
153.09106	2.1
153.12784	1.8
154.07784	2.5
155.08580	9.3
156.09322	2.6
157.06531	2.2
157.10147	15.6
159.08095	3.8
159.11678	12.1
161.05942	1.0
161.09654	5.0
161.13274	3.9
162.95016	1.1
163.11188	6.1
163.14783	1.0
165.06970	1.1
165.09108	1.1
165.12778	1.3
167.08577	6.7
168.09348	1.6
169.10114	13.4
171.08040	4.3
171.10255	1.7
171.11674	12.8
173.04475	20.6
173.09631	3.8
173.11885	1.9
173.13275	8.9
173.20564	1.1
175.11186	2.5
175.14803	1.0
177.12682	1.8
179.08589	2.4
180.09354	1.3
181.10164	5.6
181.12225	1.6
182.10883	1.3
183.08066	2.3
183.11728	10.8
184.07388	1.5
185.09610	3.5
185.13255	9.1
187.11211	3.0
187.14815	2.6
189.11223	10.3
191.10445	1.5
193.10167	3.6
193.12196	2.4
194.11037	1.1
195.11734	9.2
197.09622	3.1
197.13255	8.7
199.11201	2.8
199.14865	5.7
201.12766	1.5
205.10205	1.7
207.11694	4.1
209.09764	1.0
209.13303	6.6
211.11179	2.6
211.14862	4.7
213.12767	2.2
213.16417	2.0
219.11809	1.5
220.12697	1.0
221.13232	3.4
223.11214	1.8
223.14845	4.4
225.12885	1.9
225.16464	1.4
227.12709	16.3
235.14824	2.2
237.12817	1.4
237.16406	1.7
239.14389	1.4
241.19530	1.8
245.13507	1.7
251.14349	1.5
257.19052	2.2
259.20502	5.6
263.14258	1.3
271.17029	2.1
271.20377	1.3
273.18588	4.8
275.20139	3.8
281.18741	1.3
283.15359	3.0
285.22113	1.3
287.23703	1.3
291.19543	4.5
295.20615	2.2
297.22131	11.1
307.20743	1.4
311.20001	2.0
313.21448	2.0
315.23135	2.3
321.22235	1.9
323.20084	1.9
333.24469	2.8
337.21735	1.9
339.18332	1.3
341.21191	3.0
341.63370	1.2
343.96295	1.1
347.22964	1.3
351.23166	1.5
355.22656	1.3
371.25623	1.1
375.67413	1.1
377.24756	1.2
403.29993	1.5
413.28293	2.2
427.19736	1.3
431.29431	5.6
439.32513	1.4
449.30521	7.9
459.27536	2.4
467.31589	7.0
485.32666	3.2
505.33145	1.6
513.36047	5.4
523.34186	18.7
531.36432	2.1
539.33569	1.6
541.35272	100.0
542.35559	2.9
559.36401	9.0
565.35345	3.0
583.36279	1.3
649.37610	3.3
667.38287	5.7
685.39423	13.5
703.40448	39.1
704.40546	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05044	0.8
57.07071	0.2
57.41904	0.1
58.06631	0.5
59.07383	0.2
60.08166	6.4
60.33253	0.1
61.98429	0.1
67.05497	0.4
68.60098	0.1
69.07096	0.1
70.06587	0.2
71.07376	3.5
78.19820	0.1
79.05495	0.3
81.07061	0.3
86.09710	31.5
87.10049	0.2
89.06056	0.2
91.05474	0.2
93.07066	0.2
95.04962	0.1
95.08615	0.2
98.20724	0.3
98.98467	3.2
104.10750	2.7
105.07065	0.2
109.10237	0.1
116.07183	0.1
119.08649	0.1
125.00011	20.2
133.08563	0.1
143.01050	0.3
147.21834	0.1
166.02748	0.2
184.07346	100.0
185.07713	0.4
395.33286	0.1
452.63864	0.1
496.33896	0.1
529.92352	0.1
535.53088	0.1
574.40631	0.1
702.47076	9.0
703.46985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04222	0.1
54.12363	0.1
55.86407	0.1
56.05042	0.8
57.07082	0.3
58.06628	0.6
60.08169	6.6
67.05504	0.4
69.07119	0.2
71.07380	3.1
71.08643	0.3
79.05506	0.2
81.07054	0.4
86.09711	31.4
89.06041	0.4
91.05442	0.2
93.07037	0.2
94.53593	0.2
95.04916	0.2
95.08597	0.2
97.04544	0.1
98.98472	3.4
104.10754	2.6
125.00013	21.8
133.08595	0.4
146.68259	0.2
166.02690	0.2
184.07352	100.0
185.07701	0.6
204.06389	0.2
345.75888	0.2
390.97852	0.2
473.16272	0.1
702.47070	9.7
703.47424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01871	0.3
55.05491	0.8
56.05035	0.4
57.07079	6.2
58.06602	1.8
64.23930	0.2
65.03940	3.8
67.05497	1.2
69.03422	0.6
69.07044	0.9
69.85561	1.0
70.06597	17.3
71.04971	0.3
71.08632	2.9
72.08138	1.1
73.02924	0.2
79.05495	1.1
81.03403	0.7
81.07068	1.2
83.04970	0.3
83.08595	0.3
84.08140	0.8
85.10184	0.9
86.09686	0.9
88.07636	16.9
91.05470	1.0
93.07059	1.1
95.04972	0.5
95.08616	0.5
97.02894	0.3
97.06503	0.3
98.20853	0.5
102.09186	12.7
105.03426	0.4
105.07008	0.6
107.04990	0.4
107.08618	0.5
109.02879	0.3
111.04420	0.3
117.07008	0.4
119.08565	0.7
121.02837	1.6
121.06517	0.3
121.10162	0.4
123.11681	0.2
129.07037	0.3
131.08597	0.3
132.10201	2.0
133.02840	0.5
133.10150	0.3
135.08163	0.2
139.03903	1.0
146.11787	2.2
147.04414	0.8
149.02356	53.2
149.03442	4.7
150.02589	0.2
175.03926	1.5
177.05450	0.5
184.07353	0.5
185.13193	0.3
193.04971	28.5
194.05281	0.4
207.78999	0.3
212.23811	1.2
219.06570	1.3
225.05524	0.7
237.07573	4.3
238.25275	0.5
256.26361	40.0
257.26645	0.4
263.09134	0.7
269.04456	0.5
281.10339	0.4
297.03934	0.9
300.28986	7.0
313.07089	1.0
338.88458	0.3
341.06546	4.5
359.07501	2.6
385.09192	10.4
385.14157	0.6
387.10690	0.3
403.10254	9.6
429.11829	20.5
430.12247	0.4
473.14423	10.8
502.45761	0.3
541.35419	0.3
640.34576	1.1
684.36920	1.1
702.38470	100.0
703.38965	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	701.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03738	2.1
53.03946	18.9
53.14341	1.6
53.29787	1.9
55.01870	8.3
55.05513	40.5
57.03440	20.9
57.07067	4.7
61.02925	13.7
61.35962	1.6
62.90985	1.9
65.03935	5.2
67.05508	83.9
69.03429	45.2
69.07064	24.4
70.03748	8.0
71.01328	4.4
71.04992	8.8
73.02915	12.1
73.06532	2.2
77.03902	2.0
79.05500	69.9
81.03422	65.9
81.07059	65.8
82.66428	2.0
83.04990	24.6
83.08611	12.5
85.02905	27.0
85.06548	5.0
91.03966	8.3
91.05485	83.1
93.07045	69.4
95.01281	1.6
95.04976	20.3
95.08611	50.4
97.02902	34.4
97.06521	6.6
97.10167	8.7
98.20853	2.6
99.04456	8.2
99.08097	3.8
101.02406	3.9
103.05479	3.1
104.10610	1.8
105.04544	2.4
105.07033	61.4
107.04955	12.4
107.08600	33.9
107.23327	2.0
109.02888	11.8
109.06509	7.4
109.10175	12.8
109.19840	2.0
111.04482	3.6
111.08099	3.6
115.05458	7.4
116.06238	2.0
117.07025	29.8
119.04939	1.9
119.08585	45.6
121.06512	6.6
121.10144	21.8
123.04419	2.0
123.08058	8.0
123.11752	2.8
125.09662	5.7
127.03910	14.0
128.06216	8.6
129.05499	7.2
129.07004	33.8
130.07785	2.0
131.04904	2.3
131.08582	38.3
133.06503	6.1
133.10139	27.6
135.08069	5.7
135.11674	10.0
137.09622	5.1
139.11200	2.3
141.06993	14.6
142.07768	7.9
143.08563	34.6
145.04941	2.3
145.06433	3.5
145.10117	34.8
147.08052	6.3
147.11697	22.7
149.09669	5.2
149.13280	6.6
151.07568	2.4
151.11217	3.0
153.07016	4.3
154.07785	4.2
155.08551	29.6
156.09393	3.0
157.06523	2.1
157.10147	28.8
159.08080	4.6
159.11713	25.4
161.09644	6.2
161.13217	11.3
163.11183	4.2
165.07028	2.8
166.07870	4.0
167.08527	13.6
168.09398	2.7
169.10130	26.2
171.08084	4.2
171.11696	30.3
173.04465	30.6
173.05853	2.7
173.09642	4.8
173.13234	11.8
175.11246	2.6
175.14778	2.7
177.12759	3.4
179.08591	8.2
180.09384	3.0
181.10147	20.8
183.11723	22.2
185.09624	3.5
185.13306	12.9
187.11223	4.0
187.14903	5.8
189.12798	7.3
191.08603	3.0
192.09442	1.9
193.10176	7.8
194.11047	2.9
195.11731	16.1
197.09637	2.8
197.13292	16.3
199.11275	3.6
199.14882	6.4
203.14299	2.4
205.10283	3.8
207.11703	8.0
207.13864	9.6
209.13257	15.3
211.14749	9.8
213.12885	2.9
213.16447	2.4
219.11763	2.6
221.13284	8.8
223.14822	11.0
225.12859	3.6
225.16432	5.1
227.14253	3.3
233.13365	4.3
235.14879	5.1
237.12802	3.1
237.16377	3.8
239.18159	2.3
241.19591	5.4
247.14932	2.7
249.16330	2.6
251.18105	2.7
259.14877	2.6
259.20596	8.1
265.19876	2.5
269.18958	3.0
271.17279	2.1
279.15829	4.1
281.14319	4.4
281.17575	16.1
281.22766	2.0
287.16507	2.1
287.20013	2.3
309.22235	4.0
311.20264	2.4
311.23730	2.1
313.21783	2.3
321.22076	4.7
323.23846	3.8
327.23108	4.0
333.24539	9.3
335.23831	2.6
337.21771	2.1
339.23273	3.9
343.22992	2.3
349.21536	4.7
349.25620	2.4
352.95731	2.2
353.24911	4.1
367.22803	6.7
373.24884	2.1
379.26440	2.8
396.76648	2.0
429.31534	5.3
435.33017	2.8
447.32727	18.2
465.33844	9.7
483.34674	6.2
485.34082	3.9
503.35434	3.5
513.35773	2.3
521.36090	11.6
527.37579	3.1
529.38892	5.2
537.35449	4.0
539.37347	100.0
540.37543	3.1
541.38934	4.2
551.37982	4.9
555.36157	2.3
557.38385	13.8
563.36743	2.5
581.39050	5.0
593.38593	2.6
605.38348	3.7
619.40253	3.5
629.38239	4.2
637.40851	3.9
647.39819	10.3
665.40472	9.1
683.41351	13.8
692.54144	2.5
701.42560	81.5
702.42816	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67760	2.2
51.02412	2.0
53.03952	13.2
55.01883	10.3
55.05517	36.6
55.05764	3.4
57.03442	15.6
57.07082	3.3
59.05000	2.8
60.09025	1.9
61.02936	12.2
65.03948	6.2
67.05509	100.0
68.05882	1.9
69.03436	43.9
69.07080	28.1
71.01369	3.8
71.04999	14.5
71.06387	2.1
71.53235	3.1
73.02933	6.1
79.05499	81.5
81.03426	78.6
81.07062	75.7
81.07530	3.9
83.04994	28.9
83.08627	15.6
85.02914	26.8
85.06566	3.9
86.50255	1.9
87.31988	2.5
91.03969	7.6
91.05487	79.0
93.07053	81.3
95.01340	2.4
95.04979	22.0
95.08610	57.6
97.02899	30.7
97.06544	10.4
97.10192	8.9
99.04497	13.6
101.02447	2.4
103.05508	2.3
105.04549	3.5
105.07038	62.1
107.04959	16.0
107.08599	38.4
109.02884	13.1
109.06528	12.4
109.10172	25.0
111.04496	6.7
111.08121	7.1
113.06003	2.1
115.05515	5.6
116.06281	2.8
117.07025	33.5
119.04956	3.2
119.08599	47.8
121.06555	8.9
121.10151	20.8
123.04479	3.1
123.08082	13.3
123.11742	4.2
125.06074	2.1
125.09662	5.8
127.03932	19.6
127.04715	2.2
128.06264	8.3
129.05522	9.1
129.07014	28.9
131.04968	3.1
131.08592	39.5
133.06528	6.6
133.10143	39.6
135.08109	8.0
135.11702	14.1
137.06070	2.1
137.09708	7.4
141.06987	14.9
142.07838	7.0
143.08582	31.8
145.04904	2.2
145.06529	7.2
145.10146	37.5
147.08141	5.4
147.11678	24.0
149.09651	4.5
149.13335	7.1
151.07541	3.0
151.11163	2.4
153.07018	4.0
154.07764	4.5
155.08575	20.1
156.09402	3.3
157.10153	22.9
159.08179	6.7
159.11691	21.2
161.09651	5.0
161.13271	12.2
163.11266	5.8
165.07054	4.7
166.07861	2.4
167.08565	12.6
168.09399	4.7
169.10121	26.0
171.08069	4.0
171.11703	27.3
171.12985	2.7
173.04491	30.0
173.09741	3.7
173.11894	4.1
173.13345	12.8
175.14899	5.7
178.07957	2.2
179.08647	8.0
180.09354	3.1
180.70116	2.2
181.10150	17.3
182.11017	2.5
183.08057	2.5
183.11710	23.5
183.12941	2.1
185.09703	4.5
185.13266	17.1
187.11237	4.8
187.14905	4.7
189.11319	2.0
189.12796	9.3
193.10233	8.8
195.11729	21.6
197.13284	14.5
199.06076	3.1
199.11339	4.1
199.14958	9.2
201.12825	3.0
203.14336	2.4
205.10291	3.8
207.11807	5.8
207.13904	6.5
209.13293	14.0
211.11264	2.6
211.14932	9.9
213.16512	4.7
215.14445	3.3
217.15822	2.2
218.11092	2.3
219.11758	4.5
220.12625	2.9
221.13368	8.2
223.14975	7.7
225.16586	3.7
229.12500	2.6
229.14546	6.5
233.13351	2.9
235.14883	3.9
237.16505	3.9
241.19612	4.4
247.14783	2.6
249.16518	2.9
257.19098	4.1
259.20645	10.5
267.17520	2.5
271.17471	2.3
271.20670	4.3
273.18860	2.5
275.20233	6.8
279.15952	4.4
281.17395	15.6
287.20261	2.8
289.17886	3.8
295.20450	2.6
309.18567	2.5
309.22287	2.8
313.21942	4.1
321.22247	3.7
323.23917	3.5
325.21793	3.0
333.24490	12.7
335.23904	3.8
349.21689	4.4
367.22818	4.2
447.32419	15.1
465.33954	8.8
483.35028	4.0
485.33875	2.2
503.35391	2.6
504.34659	2.3
505.35284	2.3
521.36139	10.6
529.39001	3.8
537.35675	3.2
539.37433	83.5
551.37018	2.8
555.36774	4.0
557.38495	10.6
581.38672	4.1
619.39050	2.7
641.40417	2.9
647.39801	9.5
665.40845	6.9
683.42371	14.2
701.42822	84.9
702.43536	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	700.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05499	0.6
59.77885	0.5
61.35773	0.4
65.03935	0.7
67.05497	0.9
69.03421	1.4
69.07062	0.8
69.33379	3.0
70.06599	3.3
72.08140	1.1
79.05473	1.1
80.05024	0.7
81.03410	1.0
81.05791	0.4
82.06578	1.5
84.04490	1.1
84.08153	2.9
85.02906	2.9
86.09708	2.3
89.03913	0.4
91.05463	1.9
92.04984	0.6
93.05753	0.6
93.07036	4.3
94.06564	6.2
95.07345	4.7
95.08582	0.6
96.08133	13.9
97.02872	1.2
97.06516	1.4
99.05592	0.3
100.00713	0.4
103.05472	1.0
106.06538	0.7
107.07313	0.5
108.04479	0.8
108.08122	10.1
109.02879	0.5
109.08900	0.8
110.07114	0.6
110.09685	22.1
116.04980	1.3
118.06551	0.9
120.04456	4.5
120.08106	17.3
121.06544	0.4
122.06023	3.9
122.09676	0.9
123.06790	0.7
124.07587	4.7
127.03896	0.5
129.10251	1.3
130.05019	0.4
132.04425	0.4
134.06013	1.4
136.07581	8.2
137.05971	0.8
138.05504	3.9
138.09143	33.4
144.04430	4.1
146.06029	4.2
148.07564	5.5
150.05537	0.9
150.09148	1.8
152.07071	1.4
160.03958	1.8
162.05521	2.6
164.07050	0.7
166.04980	3.1
166.08641	60.4
167.09079	0.6
168.10246	0.6
172.03940	24.9
174.05530	1.7
176.07104	0.6
177.05428	0.5
178.05025	1.5
188.07076	0.7
190.04991	11.8
192.06516	0.6
194.08218	0.5
197.10802	0.6
198.11572	0.8
204.06557	11.1
206.08006	0.4
209.10713	1.1
210.09169	0.5
210.11555	0.5
211.08762	0.6
211.12364	0.8
212.09473	1.7
213.10236	1.3
216.06535	0.8
222.07784	0.7
222.11488	0.7
223.08687	0.9
223.12314	0.8
224.09453	1.7
225.10249	3.5
226.11000	0.9
227.11748	2.0
235.08714	1.5
235.12372	0.5
236.09312	2.2
237.10220	9.0
238.11020	1.4
239.08203	1.1
239.11726	2.5
240.08826	0.4
241.09683	1.9
245.12881	1.1
247.14395	4.0
249.10222	1.5
250.07262	0.9
250.11174	0.5
251.08232	1.5
251.11800	6.7
252.08887	1.6
252.12621	1.0
253.09749	5.6
253.13559	0.9
254.10663	0.5
255.11308	2.4
257.12881	0.7
260.05579	0.4
263.11816	1.5
264.08908	0.6
265.09735	16.3
266.10382	2.5
267.08069	0.6
267.11301	3.2
268.08475	1.1
269.12775	1.0
271.10886	2.4
273.12366	5.1
277.09735	0.6
278.06616	5.5
278.09708	0.6
279.11285	7.4
280.08502	1.5
280.11829	0.9
281.09766	2.8
281.12869	2.8
283.10767	5.0
285.12259	2.0
289.09662	1.1
291.11185	0.9
292.08386	2.0
293.09213	15.8
294.09967	3.2
295.10770	2.4
296.11435	0.9
297.12320	6.0
298.09497	0.4
299.10327	2.8
299.13406	0.7
300.11075	1.6
307.10785	5.3
309.12302	3.6
311.10303	3.0
312.10971	3.1
313.11862	4.5
316.14313	0.5
321.08801	0.7
323.10205	1.7
325.07959	0.8
325.11826	17.6
327.13538	0.6
335.10315	8.5
340.10480	2.5
341.11319	14.3
342.12036	0.5
343.12967	0.8
353.11343	13.0
357.14490	4.7
372.01865	0.5
373.13928	12.9
373.18533	0.7
385.13913	6.8
390.18018	0.6
400.16516	0.7
418.17731	1.6
428.16150	0.4
437.19485	1.1
442.17648	0.4
446.17477	0.8
460.18741	2.0
462.20111	0.8
465.18939	4.6
478.19659	5.3
488.18332	5.8
506.19241	100.0
507.19470	2.1
510.22733	2.2
520.20728	2.2
538.21869	32.0
539.22253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05785	0.5
52.80116	0.5
55.01873	0.9
55.05521	0.9
56.05050	0.7
57.03431	1.7
57.07071	0.5
61.02927	3.8
63.81510	0.5
64.87129	0.4
67.05505	2.9
69.03430	2.6
69.07073	0.9
69.33989	3.9
70.04485	0.5
70.06596	6.9
71.01360	0.8
72.08161	1.8
73.02925	2.7
79.05504	2.6
81.03430	4.0
81.07054	3.3
83.05006	0.9
83.08629	1.7
84.04508	0.9
84.08159	3.8
85.02909	6.3
86.09711	4.0
87.08398	0.5
88.03967	0.5
90.04546	0.5
91.03966	2.1
91.05493	4.8
93.07049	1.9
95.04984	2.7
95.08617	1.4
97.02901	3.6
97.06535	0.6
99.04449	0.7
101.02400	1.6
105.07038	3.3
107.04969	1.0
107.08611	1.4
109.02922	1.1
109.06526	0.8
109.10158	1.0
111.08093	0.6
115.73688	0.4
117.07034	0.5
119.04982	0.7
119.08586	1.9
120.08116	1.9
121.06500	0.5
121.10158	1.4
123.08092	1.1
127.03935	1.4
129.07060	1.0
129.10219	2.6
131.08585	1.5
133.10144	1.9
136.07588	1.7
137.06010	0.6
147.11732	1.4
149.09669	1.0
157.10039	1.3
163.11168	0.8
175.11189	1.2
184.68369	0.5
185.04196	0.4
193.12263	2.4
211.13269	0.6
213.12682	0.5
243.08478	2.0
251.12605	2.0
287.05646	1.0
307.15332	0.7
384.31369	0.6
469.20547	12.9
502.07672	0.6
535.29010	0.6
697.34039	100.0
698.34412	3.4
704.98114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
53.05544	1.2
55.01857	1.4
55.05515	9.8
57.03437	42.2
57.07068	2.3
59.15590	1.3
59.84896	1.2
61.02927	1.8
65.03947	2.9
67.05504	39.7
69.03423	2.1
69.07069	10.3
69.36287	3.6
69.36710	8.0
71.01341	4.1
71.04961	1.9
71.23094	1.2
79.05493	45.5
81.03390	3.4
81.07056	31.9
82.07407	1.9
83.04967	5.1
83.08605	14.3
85.02867	3.4
86.09693	3.5
91.05487	18.9
93.07045	60.1
95.04960	4.0
95.08606	27.6
97.06519	3.1
98.21532	2.6
105.07019	11.6
107.08592	20.6
109.10166	12.9
117.07018	4.8
119.08606	8.8
121.10142	42.6
122.10399	1.3
123.08100	2.6
123.11694	3.2
125.00025	1.5
125.09604	1.7
131.08539	11.4
133.10152	7.6
134.10417	1.4
135.11679	8.1
137.09621	2.5
137.13187	1.6
139.11140	11.7
143.08644	1.6
145.10136	7.6
147.11649	4.4
148.58250	1.4
149.09631	4.4
149.13263	4.1
151.11156	2.0
159.11685	4.3
161.13217	4.2
167.10689	11.6
173.13243	5.3
184.07315	9.3
185.11739	1.7
187.14781	3.7
220.05505	1.4
229.04791	1.4
239.12886	3.3
241.14337	100.0
243.21039	3.9
259.20453	2.3
261.22150	17.5
292.75400	1.3
294.55261	1.4
333.40814	1.8
335.22089	2.2
335.25824	35.0
391.29974	2.2
409.30582	3.4
501.35687	53.5
519.25330	1.5
519.37152	2.9
594.72144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71510	0.1
56.05042	0.4
57.07078	0.2
58.06363	0.2
58.06625	0.4
59.07396	0.2
60.08168	5.6
67.05502	0.5
71.04999	0.3
71.07373	2.6
71.08631	0.1
79.05482	0.2
81.07081	0.4
86.09712	26.1
87.10075	0.2
91.05498	0.3
93.07076	0.3
95.08630	0.4
96.71386	0.1
98.98470	2.2
104.10758	1.8
105.07030	0.3
106.19896	0.1
107.08627	0.2
109.10196	0.4
113.03149	0.1
119.08620	0.2
121.10183	0.3
121.50508	0.2
125.00016	16.1
133.10184	0.2
151.07573	0.2
184.07355	100.0
185.07713	0.5
225.94925	0.1
245.80894	0.1
262.19302	0.1
471.25851	0.1
664.45532	14.4
665.45648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01869	1.3
55.05515	14.2
57.03442	4.4
57.06821	0.8
57.07077	8.1
61.02933	22.2
65.03935	1.8
67.05511	55.2
69.03435	3.9
69.07076	18.3
69.94578	2.6
70.45443	0.5
71.04978	2.3
71.08634	5.9
71.78408	0.5
73.02924	9.9
75.04469	1.1
79.05502	16.2
81.03410	2.5
81.07066	69.3
82.05395	0.5
83.04978	2.3
83.08627	16.9
83.09117	0.9
85.02915	28.9
85.06523	2.0
85.10178	2.2
91.03965	23.6
91.04983	0.8
91.05489	11.6
93.07053	19.8
93.07634	1.2
95.04953	1.2
95.08617	62.4
95.50497	0.6
96.08947	0.6
97.02902	13.8
97.06538	6.2
97.10181	10.7
99.04458	1.9
99.08092	2.5
105.07042	11.0
107.08611	14.6
109.02892	0.7
109.06520	1.0
109.10166	32.6
111.08102	3.0
111.11718	3.6
113.09653	2.4
115.03927	1.5
117.07036	0.7
119.07812	0.9
119.08591	11.6
121.10155	19.6
123.08058	1.5
123.11718	17.1
125.09632	1.8
125.13280	0.9
127.03933	8.9
127.11176	1.0
131.08545	0.7
133.10143	14.6
135.11703	10.7
137.09636	1.2
137.13260	6.6
139.11142	1.9
139.57243	0.5
141.12761	3.0
145.04974	11.0
145.10100	0.6
147.11705	9.9
149.09613	0.8
149.13274	9.4
151.11194	1.5
151.14844	6.4
153.12810	1.3
155.14345	3.0
159.08110	0.8
161.13271	11.9
163.06023	21.7
163.14847	9.6
165.12744	0.7
165.16415	8.9
167.14301	1.0
175.14841	10.5
177.16415	1.5
179.14374	1.0
179.17995	6.4
181.12244	0.9
181.15889	1.7
189.16487	4.8
191.18123	0.5
193.15900	0.8
197.66470	0.5
203.17989	2.1
206.23346	0.5
207.17429	0.9
217.19522	1.9
245.22670	60.1
246.22903	0.8
247.24294	0.7
263.23727	100.0
264.24078	2.4
265.25354	2.8
267.09125	0.5
281.24741	2.9
337.27393	43.6
338.27655	0.8
355.28479	11.4
499.32736	1.1
560.76807	0.6
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
53.03932	1.9
55.01862	1.6
55.05514	16.9
57.03442	5.8
57.06829	0.9
57.07077	10.5
59.05000	0.7
61.02930	25.1
64.52002	0.6
65.03925	1.5
67.05508	64.9
69.03440	3.4
69.07069	24.7
69.60974	3.1
71.04985	2.2
71.08639	5.7
73.02922	9.5
75.04470	1.1
79.05493	20.6
81.03407	2.5
81.07059	79.2
82.07383	0.8
83.04971	2.1
83.08623	19.3
85.02909	27.0
85.06532	2.5
85.10179	1.8
87.04482	0.8
91.03422	1.2
91.03963	20.9
91.05485	15.6
93.07046	22.9
95.04992	3.1
95.08612	68.0
97.02898	14.0
97.06536	4.8
97.10170	12.3
99.04444	1.9
99.08094	3.9
103.03920	0.9
105.07040	11.4
106.07368	1.0
107.08601	18.9
109.02859	1.4
109.06519	1.6
109.10160	35.0
111.08099	3.6
111.11037	0.6
111.11727	4.1
113.09628	2.1
115.03910	1.6
117.07027	0.9
117.76067	0.6
119.08591	13.5
121.10150	24.1
123.08055	1.8
123.10822	1.3
123.11708	18.6
125.05996	1.3
125.09624	2.2
125.13261	1.4
127.03080	0.9
127.03924	7.9
127.11173	1.6
129.06969	0.6
131.08545	1.7
133.10135	17.4
134.21042	0.6
135.08087	1.1
135.11697	11.3
137.09602	2.4
137.13254	7.8
139.11198	1.9
139.14818	1.0
141.12717	2.4
142.07854	0.6
142.20946	0.7
145.04956	10.4
145.10156	2.2
145.28110	0.7
147.11688	10.8
149.09680	0.8
149.13263	11.8
151.11192	1.2
151.14784	5.3
153.12723	1.4
155.14320	3.5
157.10075	1.1
161.13271	12.5
163.06020	19.4
163.11128	1.1
163.14828	10.0
165.12730	1.3
165.16418	9.6
167.14369	1.1
169.15878	1.0
171.11710	0.8
175.14832	9.9
177.16389	2.0
179.14362	1.5
179.17970	6.8
181.12283	2.1
181.15822	1.0
189.16405	3.7
191.14334	0.8
193.15857	0.9
203.18031	1.2
207.17216	1.0
217.19580	1.2
245.22662	64.4
246.22845	1.4
247.24582	0.8
263.23709	100.0
264.24060	1.0
265.25217	2.2
281.24820	3.2
308.22919	0.8
337.27380	67.1
338.27673	1.2
355.28430	19.1
463.30460	0.7
481.31976	0.8
499.32516	6.2
603.74744	0.7
678.42041	0.9
696.40149	0.7
714.14801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14846	0.3
53.03940	1.0
55.01865	0.5
55.05515	3.1
57.03431	0.3
57.07085	2.1
59.05008	1.8
65.03931	0.6
67.05185	0.4
67.05510	5.1
69.03427	2.3
69.07059	2.3
70.06595	0.9
70.52686	0.3
71.04985	1.8
71.52237	0.5
73.15520	0.3
75.04478	0.5
77.03957	0.3
79.05489	4.8
79.61340	0.3
81.03426	1.8
81.06591	0.5
81.07056	7.4
81.78326	0.3
83.04987	2.3
83.08609	1.4
84.08160	0.4
85.02887	0.6
85.06548	3.3
86.09727	0.4
91.05480	6.5
93.06482	0.5
93.07047	7.3
93.49350	0.4
95.04964	4.0
95.08605	4.1
97.06538	1.8
97.10198	0.5
99.04433	0.5
101.06001	0.8
103.05482	0.5
105.07035	10.6
105.61937	0.3
107.04954	1.1
107.08599	4.5
108.05720	0.4
109.02821	0.5
109.06518	7.2
109.10157	4.1
111.04454	0.4
111.08084	3.4
113.06033	2.1
115.05481	1.0
116.06208	0.4
117.07034	3.2
119.04829	0.4
119.08585	9.2
121.06477	1.9
121.10159	4.1
122.07275	0.4
123.08074	6.5
123.11721	0.3
125.06011	2.5
125.09646	1.0
127.07519	0.4
128.06184	1.7
129.07022	2.7
130.07751	0.8
131.08571	5.6
133.06505	1.9
133.10123	4.9
135.08070	5.7
135.11705	1.2
137.05981	0.8
137.09642	4.0
139.07552	2.3
139.11232	0.4
141.06999	1.8
142.07788	2.0
143.08566	5.1
144.05672	0.4
144.09338	1.7
145.06461	0.7
145.10124	6.5
147.08058	5.7
147.11681	1.6
148.08786	0.6
149.09615	3.3
151.06429	0.6
151.07550	4.9
153.06996	0.7
153.09099	1.1
154.07747	0.4
155.08562	2.9
155.10683	1.0
156.09366	2.5
157.06519	0.4
157.10139	5.4
158.07309	0.4
158.10930	1.1
159.08066	2.5
159.11703	4.8
160.08904	0.3
161.09637	4.0
161.13286	0.7
163.07622	0.4
163.11209	3.8
165.06982	0.9
165.07693	0.4
165.09119	8.8
165.30856	0.4
166.07819	0.7
167.07205	0.5
167.08519	1.9
167.10689	0.6
168.09381	1.3
169.10129	3.6
170.10878	1.1
171.08086	0.7
171.11693	4.0
172.08911	0.6
172.12383	0.5
172.43024	0.3
173.09624	2.2
173.11971	0.4
173.13277	1.9
174.10257	0.5
175.11169	3.1
177.09148	1.2
177.12712	0.7
179.08557	1.3
179.10690	0.8
180.09363	1.4
181.08636	0.5
181.10135	3.4
181.12234	3.0
182.10880	1.5
183.08035	0.5
183.11713	5.5
184.08830	0.4
185.09622	1.2
185.13281	1.5
186.10428	0.4
187.11186	2.5
188.12003	0.5
189.12729	2.4
190.13518	0.5
191.10683	1.3
192.09375	0.6
193.10152	1.6
193.12271	1.9
194.10899	1.5
195.10172	0.5
195.11723	3.8
195.13826	0.9
196.12500	1.2
197.09608	1.0
197.13304	1.8
198.10448	0.8
199.11195	3.3
201.12804	1.7
203.14352	3.8
205.10217	0.6
205.12169	0.5
206.10922	0.7
207.11716	1.9
207.13837	3.2
208.12517	0.9
208.14523	0.6
209.09894	0.6
209.13280	3.2
210.10413	0.7
211.11349	1.6
211.13091	0.7
211.14917	1.8
212.12015	0.5
213.12775	2.4
214.13538	1.0
215.14346	0.8
216.15030	0.5
219.11771	1.3
219.13858	1.1
220.12523	0.8
221.13251	1.6
221.15332	9.2
223.11174	0.7
223.13264	0.9
223.14935	1.0
225.12761	3.1
225.16452	0.8
227.10669	0.6
227.14386	1.1
229.12335	0.7
231.11711	0.5
231.13855	0.4
232.12433	0.5
233.13287	0.8
233.15457	0.7
234.16190	1.0
235.14894	1.1
237.12767	0.9
237.16389	0.7
239.14302	1.3
241.12228	0.5
241.15919	0.5
243.13892	0.5
243.17502	0.5
245.13367	0.7
247.14798	0.8
247.16997	2.0
248.15730	0.4
251.14256	0.5
251.16522	0.9
253.15887	1.0
257.15457	0.6
259.14850	0.6
261.16437	0.5
264.17209	0.6
265.15912	0.9
267.17502	0.6
271.17075	0.5
272.17874	0.4
273.18713	0.8
275.14169	0.4
275.20099	0.5
277.15710	0.4
279.17538	0.4
283.16916	1.1
285.18472	1.4
286.19263	1.0
287.20370	0.5
287.94104	0.3
297.18607	0.6
298.19269	0.8
299.20139	0.5
305.19116	0.4
307.20435	0.3
311.20108	0.5
312.20990	0.6
315.19693	0.6
330.21912	2.4
337.21671	0.7
343.22748	1.8
349.24033	0.4
352.23965	1.4
373.23538	1.6
377.21072	0.4
407.25839	0.9
422.28125	7.2
433.27502	0.8
447.29007	0.4
465.30038	100.0
466.30328	2.9
649.41370	1.7
677.40497	0.5
678.42053	0.6
695.29431	0.6
695.41650	10.4
696.42181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	0.5
55.01495	0.5
55.01876	0.7
56.05033	1.9
60.04534	2.5
64.90903	0.5
68.05033	0.7
69.72551	1.1
69.72961	2.2
70.02958	10.9
71.06136	0.6
71.09602	0.6
72.04516	1.1
73.07679	1.1
74.02439	1.3
76.04008	5.2
80.04993	0.7
81.03419	0.7
83.42485	0.5
84.04509	20.6
85.04021	1.6
85.09786	0.5
85.96500	0.4
86.02442	1.3
88.03998	4.5
89.96345	0.6
98.06057	1.4
99.05585	63.5
107.06081	6.6
108.04469	3.8
110.06104	0.7
113.03552	0.7
116.03464	1.8
117.06552	0.7
121.01091	3.2
125.07156	0.7
126.05505	1.1
127.05054	9.9
130.05019	18.7
130.33734	0.6
131.04515	2.5
135.05533	2.0
136.03932	5.1
137.00578	3.0
137.07039	0.6
145.06093	100.0
146.06451	0.7
147.04494	0.7
148.03987	0.8
149.00578	6.5
153.06596	16.5
154.05011	1.6
155.08133	1.0
156.06618	1.2
163.03938	1.8
165.00052	4.6
169.06125	1.0
171.07681	2.0
172.03773	0.7
173.09290	1.3
177.03329	1.3
179.00177	0.6
179.01663	1.8
181.06094	6.2
188.01637	0.7
190.03279	1.0
192.99556	11.2
194.03662	0.8
195.01181	1.2
199.07155	23.3
206.02744	1.0
207.01166	0.7
211.00630	2.9
211.07164	4.6
216.01053	0.5
217.08255	0.9
218.02768	2.1
219.01151	1.2
223.00658	0.5
232.04993	0.6
234.02245	4.0
236.03767	1.6
243.06248	1.0
252.03310	1.1
256.09280	5.6
257.07828	1.9
262.01752	2.3
272.03580	0.6
274.10349	39.7
275.10727	0.7
280.02783	1.8
313.04971	2.0
320.02051	0.6
323.08157	0.6
337.04965	3.5
355.05798	2.6
391.06079	0.9
409.06952	1.2
421.07019	0.6
474.10208	0.6
484.10205	1.0
541.75677	0.6
547.08624	1.4
565.09985	3.6
676.12988	1.6
694.13806	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	693.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01859	1.0
55.05506	2.6
57.03421	0.9
57.07077	9.5
59.05000	2.7
65.03935	0.3
67.05505	5.4
69.03434	1.9
69.07069	2.7
69.35998	2.3
71.04983	0.7
75.04471	1.1
78.81430	0.3
79.05493	5.1
81.03426	2.6
81.07061	6.5
82.03700	0.4
83.04984	17.6
83.08606	1.1
85.02905	0.4
85.06542	1.6
86.09697	0.6
89.06044	0.4
91.05480	3.9
93.07046	5.6
95.04971	6.6
95.08623	3.5
97.05923	0.6
97.06535	10.1
97.10182	0.3
98.21552	0.6
99.04440	0.5
105.07033	5.2
107.04956	1.1
107.08595	4.5
109.06521	1.1
109.10155	1.4
111.04472	0.4
111.08076	0.8
115.05518	0.5
115.07524	0.7
117.07002	1.4
119.08577	3.3
121.06502	1.4
121.10149	6.0
123.04359	0.4
123.08052	2.0
123.11686	0.5
125.05996	36.3
128.06241	0.4
129.06982	0.7
129.28569	0.3
130.07782	0.6
130.48439	0.3
131.08566	2.2
131.65994	0.3
133.10138	2.3
135.08058	1.1
135.11691	1.9
137.09613	1.1
141.06976	0.4
143.08580	1.0
145.06470	0.5
145.10121	4.0
147.08057	0.6
147.11696	1.0
149.09639	0.8
149.13208	0.7
151.07533	0.5
151.11243	0.5
153.09116	0.5
155.08556	0.4
157.10101	0.7
159.11714	1.4
161.09618	1.1
161.13260	0.4
163.11186	37.7
164.11510	0.7
165.09097	0.8
165.12743	0.5
167.08525	0.4
168.09274	0.5
169.10124	0.5
171.11678	0.6
173.09645	0.4
173.13327	0.7
175.11201	0.6
177.12749	0.4
181.12238	100.0
182.12604	0.9
183.11717	0.5
184.07294	1.9
187.14827	0.4
189.12808	0.3
191.14360	0.4
193.12231	0.8
195.13846	0.5
195.15623	0.3
201.12631	0.3
203.14377	0.5
207.11609	0.3
207.13776	0.6
209.13306	0.6
211.13281	1.0
221.15366	1.1
233.15318	0.3
239.16364	0.6
241.15939	0.7
265.74017	0.3
269.17453	1.8
273.18649	0.5
275.19989	0.8
285.18845	0.4
287.19885	0.4
311.20108	0.4
317.21008	0.3
331.78412	0.3
337.27448	0.9
343.22507	1.5
357.24231	0.3
401.20447	0.3
449.30368	1.0
481.32321	0.9
531.40289	1.4
547.80188	0.3
629.42462	0.4
661.44110	1.0
675.44177	1.3
693.46338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01871	0.9
55.05513	2.8
55.05746	0.6
56.08516	0.4
57.03442	0.5
57.07077	9.4
59.05003	4.0
67.05502	3.2
69.03416	0.9
69.07066	2.1
71.04971	0.8
75.04461	1.2
79.05499	5.7
81.03413	2.9
81.07057	6.0
83.04980	18.6
83.08595	0.8
84.56615	0.5
85.06541	1.0
91.05487	3.8
93.07049	4.5
95.04967	7.5
95.08592	2.1
97.06532	8.9
97.10143	0.5
98.20634	0.8
105.07028	4.0
107.04944	1.5
107.08604	4.5
109.06523	1.6
109.10146	1.5
111.08102	0.7
115.05427	0.5
115.07595	0.6
117.07016	2.1
119.08583	4.0
121.06499	1.7
121.10147	5.5
123.08060	2.3
125.05991	36.1
125.09593	0.5
126.06331	0.4
129.06969	0.8
130.07883	0.6
131.08559	1.6
133.06465	0.6
133.10153	2.5
135.08011	1.0
135.11693	2.3
137.09634	0.9
141.14998	0.4
143.08557	0.7
145.10123	3.8
147.08078	0.4
147.11691	0.6
149.09579	0.9
151.07533	1.3
151.11153	0.5
151.38617	0.5
157.10158	0.6
159.08087	0.8
159.11630	0.8
161.09619	0.7
163.11182	38.6
165.09044	0.6
169.10217	0.4
171.11703	0.8
173.13216	0.6
175.11296	0.6
175.35725	0.4
179.10657	0.7
181.12236	100.0
182.12569	1.0
184.07288	1.1
185.13292	0.5
186.62199	0.4
189.09251	0.4
193.12149	0.5
195.11719	0.5
207.13814	0.7
209.13303	0.6
211.13359	1.1
217.95895	0.4
221.13402	0.6
221.15359	0.6
239.16467	1.8
251.16373	0.5
265.17987	0.6
273.18515	0.6
275.20090	1.4
291.19434	0.5
293.30518	0.4
335.25583	0.8
343.22641	0.5
349.23856	0.6
357.24057	0.7
449.30692	1.1
513.53345	0.4
586.60004	0.5
675.38403	0.9
693.45898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05508	1.6
57.03426	0.4
57.07081	9.7
59.05006	2.4
67.05494	1.5
69.03423	0.5
69.07059	1.5
72.74497	0.3
75.04488	0.5
79.05506	3.5
81.03426	1.8
81.07057	2.7
83.04990	16.9
83.08613	0.7
85.06530	0.9
89.06027	0.3
91.05484	1.7
93.07050	2.8
95.04981	5.9
95.08589	1.4
97.06544	9.9
105.07043	3.0
107.04952	1.2
107.08614	2.7
108.55592	0.3
109.06503	0.9
109.10209	0.4
110.24230	0.4
117.07019	0.9
119.08596	2.5
121.06506	1.0
121.10158	3.3
123.08053	1.3
125.06004	36.6
130.07826	0.5
131.08568	0.7
133.10141	1.5
133.70921	0.3
135.08002	0.4
135.11710	2.2
137.09610	0.5
143.08546	0.7
145.10139	3.7
145.73225	0.3
147.07930	0.5
149.09641	0.4
151.07590	0.5
151.11148	0.4
157.10139	0.6
159.11789	0.3
161.09583	0.7
163.11192	38.1
164.11505	0.4
165.09120	0.4
169.10139	0.4
179.10922	0.3
181.12248	100.0
182.12547	0.9
184.42221	0.3
193.12259	0.5
209.13281	0.5
211.13303	1.3
215.14204	0.4
239.16574	0.7
241.15897	0.5
449.30719	1.6
693.31659	1.1
693.44336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.5
51.27818	1.3
53.03952	8.8
55.01625	1.5
55.01873	17.6
55.05510	48.3
55.36490	1.3
57.03445	7.0
57.07055	2.6
59.04985	4.9
65.03939	7.1
67.05506	77.2
69.03432	7.3
69.07069	40.6
71.04996	7.1
71.52702	1.7
75.04491	3.8
79.05494	75.1
80.05808	2.3
81.03419	13.9
81.07058	90.5
82.07378	1.7
83.04982	23.3
83.08623	30.5
85.02891	9.1
85.06531	5.9
91.05481	68.6
92.05800	1.6
93.07045	67.2
95.04969	68.0
95.08608	41.0
96.05305	2.0
96.08962	1.5
97.02869	2.8
97.06525	14.4
97.10163	21.2
99.04462	11.0
99.08069	2.8
103.05459	2.7
105.04514	1.8
105.07028	61.3
107.04958	21.6
107.08591	54.4
107.09313	3.0
109.06516	23.0
109.10157	26.8
110.38108	1.3
111.04449	18.2
111.08086	9.8
113.05968	1.5
113.09564	1.3
115.05450	4.8
116.06248	1.8
117.01078	2.0
117.07012	22.9
119.08573	49.0
121.06496	15.5
121.10145	39.8
123.04423	2.0
123.08064	25.6
123.11675	3.7
125.06030	6.0
125.09631	19.3
128.06210	3.5
129.06998	11.4
130.07803	1.5
131.04936	1.4
131.08577	34.3
131.46799	1.2
133.00528	2.0
133.06482	6.0
133.10126	27.5
134.10480	1.7
135.08067	16.4
135.11694	14.9
137.05969	2.5
137.09587	10.0
139.11172	4.2
141.06969	3.6
142.07771	2.9
143.08568	15.6
145.06474	3.1
145.10121	35.2
146.07321	1.3
146.10519	1.4
147.08060	15.7
147.11678	13.4
149.09625	39.6
149.13268	3.3
151.07532	3.5
151.11197	3.8
153.09149	3.5
153.12669	1.6
155.08531	5.5
156.09192	1.4
157.06451	1.8
157.10135	10.4
159.08037	5.5
159.11702	16.7
161.09630	13.6
161.13226	6.7
163.11185	41.7
165.09106	3.5
165.12732	6.5
167.08461	2.2
167.10686	4.0
169.10135	5.8
171.05762	1.8
171.08025	2.1
171.10173	4.2
171.11708	10.4
173.09634	4.3
173.11850	2.7
173.13280	8.0
175.11203	7.7
177.09050	1.9
177.12769	4.9
179.10712	2.7
181.10094	2.7
181.12224	9.7
183.11638	4.2
185.09601	1.7
185.13283	4.2
187.11253	7.9
187.14751	2.1
189.11217	15.3
189.12762	3.7
191.10695	1.9
191.14345	2.9
193.12271	4.4
194.10774	1.6
195.11722	2.7
197.07283	2.8
197.13228	4.4
199.11221	2.7
199.14868	2.4
201.12799	2.3
203.14392	1.5
205.12186	7.5
207.13863	3.1
209.13263	1.8
211.13203	3.0
213.16396	3.0
215.14433	1.9
219.13849	1.4
221.15399	3.0
223.13274	52.3
224.26909	1.3
227.12799	4.4
227.17979	2.5
229.19643	4.2
233.15364	2.8
239.17992	3.8
245.18947	2.2
247.20744	2.4
249.14902	3.2
255.17491	4.6
257.19025	10.7
265.18259	1.5
273.18478	28.8
273.21228	2.0
275.20078	68.6
276.20346	3.2
277.21194	1.6
291.19559	57.1
293.21106	36.8
295.22363	1.8
309.16116	7.6
327.17319	1.7
327.64441	1.3
347.22229	5.3
349.23773	22.0
365.23242	2.5
367.24719	7.5
383.19595	8.3
401.20834	9.5
621.41516	1.9
639.42395	2.6
657.43054	3.1
675.39722	18.1
693.41132	100.0
694.41425	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	693.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.5
51.02373	1.4
53.02893	0.7
53.03945	6.8
55.01626	1.5
55.01875	17.6
55.05513	52.4
57.01436	0.7
57.03438	7.7
57.07076	2.5
59.04987	1.6
61.67018	0.8
65.03938	6.1
67.05506	60.6
69.03436	5.7
69.07071	31.2
69.07391	0.7
69.27983	7.3
71.04998	10.4
73.06559	1.1
75.00025	2.2
75.04490	1.7
79.05492	65.5
81.03419	11.4
81.07058	75.8
81.62791	0.7
83.04981	20.8
83.08617	30.2
85.02912	6.9
85.06540	3.5
85.97150	0.8
89.01595	1.5
90.99477	0.9
91.05482	57.6
93.03387	1.0
93.07044	60.5
95.04971	70.9
95.08611	35.7
97.02908	1.1
97.06537	10.9
97.10165	17.3
99.04465	12.6
99.08116	2.5
103.05461	2.0
105.04507	1.1
105.07036	47.9
107.04959	20.0
107.08598	45.9
109.06511	15.2
109.10155	19.8
111.04441	19.5
111.05211	1.0
111.08086	10.2
113.06048	1.2
114.88762	0.8
115.05434	2.6
116.06207	0.9
117.01045	3.0
117.07012	21.7
119.04942	1.5
119.05988	1.0
119.08582	40.2
121.06506	14.9
121.10143	31.6
123.04433	1.6
123.08071	27.5
123.11726	3.3
125.06007	3.5
125.09638	17.6
127.07573	1.1
128.06238	3.0
129.01129	1.1
129.07005	10.0
130.07796	2.4
131.02614	1.1
131.08566	27.6
133.00543	3.6
133.06476	5.5
133.10130	19.1
135.08055	11.1
135.11688	14.0
137.09633	7.5
137.13361	1.0
139.07605	0.9
139.11179	3.7
141.06940	1.9
142.07831	2.7
143.08554	8.5
144.09351	1.0
145.00543	1.0
145.04198	1.1
145.06500	2.8
145.10121	29.1
147.08055	15.0
147.11687	12.1
149.08420	1.6
149.09619	31.6
149.13272	1.8
151.07593	1.2
151.11195	3.2
153.09114	4.0
153.12776	2.6
155.08557	4.1
156.09282	1.0
157.06551	0.9
157.10159	8.8
158.10934	0.9
159.08110	2.0
159.11702	13.2
161.09625	10.3
161.13281	3.2
163.11182	30.8
165.09174	2.1
165.12793	3.1
167.08583	1.8
167.10699	2.0
169.10136	4.9
171.10194	2.5
171.11740	6.5
173.07368	1.0
173.09619	3.8
173.11845	1.7
173.13261	4.5
175.11177	5.8
175.14821	1.0
177.09122	1.6
177.12793	3.2
179.10728	0.9
181.10208	1.6
181.12254	4.9
183.05756	0.9
183.11728	3.9
185.13315	3.8
187.11157	4.8
187.14856	1.1
189.11252	14.0
189.12793	2.8
191.10738	2.0
191.14323	1.7
193.12309	2.6
195.11755	1.8
197.07336	2.9
197.13293	3.2
199.11157	1.8
199.14764	1.4
200.76547	0.9
201.12764	1.9
203.14317	1.5
205.12238	6.9
207.13934	1.2
209.13397	1.2
211.13249	2.0
211.15013	1.1
213.12709	1.4
213.16449	1.2
215.14337	0.9
219.13745	1.1
223.13290	59.9
227.12772	2.5
227.18024	2.5
229.15997	1.1
229.19568	2.8
231.17532	1.1
237.16611	1.2
239.18040	3.9
245.19081	2.5
247.20729	2.1
249.14859	2.5
255.17506	4.3
257.19012	5.8
273.18506	22.4
275.20059	60.2
276.20612	1.5
281.16956	1.5
291.19550	51.5
293.21109	41.2
294.21671	1.3
309.16153	5.5
311.22214	2.3
321.41522	0.9
327.17398	1.5
331.22791	1.9
347.22314	3.4
349.23724	18.8
367.24786	7.4
383.19870	9.0
401.20871	7.6
621.41766	1.0
639.42627	3.5
657.40112	1.6
675.40100	15.7
693.41211	100.0
694.42163	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	693.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73373	1.1
51.02385	1.5
53.03946	7.9
55.01872	13.8
55.05512	50.8
57.03436	5.6
57.07072	3.7
59.04995	6.0
62.33031	1.3
65.03940	6.7
67.05505	90.8
69.03429	10.3
69.07068	34.1
69.07362	0.8
71.04985	6.2
71.70877	1.4
73.02950	1.6
73.32639	1.2
75.04462	8.9
79.05495	76.1
81.03424	10.7
81.07053	100.0
83.04988	23.2
83.08617	35.0
84.63234	1.2
85.02900	3.7
85.06528	8.8
91.05477	74.0
93.07043	66.5
93.07638	3.4
95.04971	35.2
95.05567	2.1
95.08607	43.7
97.02893	5.9
97.06532	15.5
97.10162	9.9
99.04451	10.6
99.08076	1.5
103.05470	4.6
105.04517	2.8
105.07030	60.8
107.04955	24.2
107.08592	45.2
109.06525	16.1
109.10150	29.4
111.04457	8.3
111.08070	14.6
113.77933	1.2
115.05444	2.9
117.01031	1.7
117.07021	28.4
119.04920	2.1
119.08580	61.6
121.06492	17.9
121.10136	34.9
123.04446	1.5
123.08076	32.0
123.11707	5.1
125.05971	8.8
125.09634	14.4
128.06207	3.1
129.07025	12.4
130.07826	2.5
131.08556	32.0
133.00525	2.0
133.06505	7.2
133.10130	36.1
133.11108	2.8
135.08046	14.2
135.11687	14.0
137.09608	10.8
139.07565	2.1
139.11201	3.9
141.06975	3.4
142.07825	3.5
143.08568	11.9
144.09290	1.3
145.06488	3.5
145.10123	32.3
147.08066	14.1
147.11681	16.9
149.06029	1.7
149.09610	32.2
149.13280	3.4
151.07523	6.0
151.11166	9.9
153.09128	3.8
153.12675	1.9
155.08572	5.9
155.10701	1.8
157.10120	13.1
158.07071	2.0
159.08047	6.3
159.11691	19.8
161.09654	12.2
161.13272	4.8
163.11180	42.4
165.09106	3.9
165.12764	5.0
167.08551	2.8
167.10655	3.0
168.09259	1.5
169.10124	7.3
169.12297	1.6
171.10362	2.0
171.11699	9.9
173.09605	5.8
173.13246	10.1
175.11209	6.0
175.14848	1.9
177.09227	1.6
177.12759	4.8
179.10629	2.9
179.14362	1.8
181.10324	2.4
181.12250	16.6
183.11696	3.1
185.09715	2.2
185.13281	4.2
187.11191	4.6
187.14780	2.6
189.11200	4.4
189.12793	6.8
191.10664	2.5
191.14320	3.1
193.12283	4.6
195.11710	2.9
197.07268	3.2
197.11684	1.7
197.13318	5.1
199.11124	1.6
201.12807	2.0
203.14383	1.8
205.12257	2.8
207.13850	6.2
209.13394	1.8
211.13145	2.5
211.14935	3.0
213.12804	2.7
213.16341	2.1
215.14444	2.1
221.15355	3.9
223.11305	2.4
223.13177	8.4
227.17870	2.3
229.19485	5.9
229.26207	1.4
231.13795	1.7
231.17644	1.6
233.15298	2.8
239.16162	2.1
239.18155	3.8
247.20651	2.6
249.14879	2.7
251.16443	1.9
255.17465	4.3
257.19025	12.1
265.18008	2.2
273.18478	29.7
275.20047	63.8
281.16818	1.5
285.18506	1.7
291.19537	50.7
292.20062	1.7
293.21100	13.1
309.16095	4.2
327.17084	2.5
335.25800	2.3
347.22153	5.5
349.23715	38.4
365.23163	6.4
367.24945	4.7
383.19852	8.9
385.21420	4.8
401.20966	15.5
513.35779	2.5
531.37347	1.6
546.62500	1.5
621.41193	2.1
629.40906	1.9
639.42517	3.0
643.84949	1.5
657.39355	2.5
675.40106	22.0
693.40942	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06699	0.8
53.03946	4.1
55.01877	4.2
55.05266	1.4
55.05513	15.2
57.03439	14.4
59.64955	0.9
61.02914	4.9
65.03938	1.7
67.05511	27.5
69.03421	5.9
69.07070	8.1
70.06590	1.2
70.12396	4.0
71.04980	6.3
71.72705	0.8
73.02923	1.4
73.62511	1.1
79.05493	27.4
81.03424	88.6
81.07060	30.6
83.04987	19.1
83.08624	29.6
84.08166	1.3
85.02913	36.2
85.06549	3.0
85.88781	1.0
86.09698	1.8
91.03940	2.2
91.05488	44.0
93.07044	20.7
95.04970	32.7
95.08611	11.7
97.02893	8.2
97.06537	4.2
97.10177	4.8
98.20805	1.5
99.08112	1.6
101.64694	0.9
105.07037	30.1
107.04964	10.9
107.08598	9.9
109.06530	6.8
109.10178	3.0
111.04469	3.2
111.08079	12.9
113.06000	2.6
115.05450	2.8
117.07001	2.0
119.08589	26.8
119.73742	0.9
121.06506	3.2
121.10152	10.0
123.08086	3.7
123.11713	1.7
125.09635	2.8
129.07013	16.3
129.10236	1.2
131.08578	17.1
133.06520	2.6
133.10146	16.8
135.11694	1.0
137.09627	3.5
142.07831	3.1
145.10144	3.7
147.08060	4.5
147.11693	19.4
149.09618	8.8
157.10147	20.5
158.80591	0.9
159.36726	0.9
163.11169	1.6
163.27852	0.9
165.12761	3.4
175.11198	22.9
183.54018	0.9
193.12256	65.7
197.91188	1.0
211.13303	97.6
249.14871	1.3
267.13049	2.1
267.15924	43.2
285.16974	100.0
312.40588	1.0
349.21603	2.1
367.22668	2.5
385.23746	4.2
403.24976	1.6
433.25677	3.0
459.27493	28.0
477.28503	32.2
478.11392	1.2
495.29572	83.4
496.29694	1.3
524.29272	1.0
655.78021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03949	4.2
55.01877	16.8
55.05515	42.9
56.70283	0.7
57.03445	6.9
57.07088	1.0
59.05005	2.0
65.03941	3.9
67.05509	49.5
69.03430	5.6
69.07071	20.1
71.05000	5.7
75.04480	1.2
77.03922	0.8
79.05499	51.8
81.03430	11.8
81.07061	97.5
83.04989	24.3
83.08622	22.8
85.02916	7.3
85.06556	2.6
87.04476	0.8
91.05487	35.0
91.87412	0.6
92.05821	0.7
93.03431	0.9
93.07050	37.4
94.04195	1.7
94.94334	0.8
95.04980	22.0
95.07999	0.8
95.08173	0.5
95.08615	23.4
97.02904	2.0
97.06530	10.2
97.10177	33.6
99.04469	4.7
99.08084	4.4
103.05535	1.0
105.04533	1.5
105.07040	25.7
107.04975	12.2
107.07877	1.4
107.08605	26.7
109.02934	1.2
109.06528	14.6
109.10166	14.7
111.04452	25.3
111.08086	11.9
113.06052	0.8
115.05441	3.6
116.06204	0.7
117.07026	14.5
119.04957	0.8
119.08588	25.9
121.06521	12.2
121.10146	17.1
123.04464	1.4
123.08078	36.3
123.11687	1.2
125.06004	2.7
125.09636	27.7
127.07579	0.9
128.06212	2.2
129.07025	8.1
130.07811	1.4
131.04918	0.7
131.08580	15.2
133.06488	3.8
133.10141	9.3
135.08072	8.7
135.11699	14.4
136.94151	0.8
137.05971	0.8
137.09622	7.5
137.14697	0.7
139.07533	1.0
139.11215	1.7
141.06972	1.7
142.07814	1.7
143.08575	7.2
143.10690	1.5
145.06511	2.8
145.10136	20.9
146.07112	0.7
147.08069	10.8
147.11723	7.6
149.09634	7.9
149.13269	2.0
151.11252	1.0
153.07063	0.9
153.09114	5.4
153.12761	10.2
155.08545	2.9
157.06584	0.8
157.10152	6.2
159.08093	2.9
159.11690	5.8
161.09633	6.2
161.13226	1.4
163.11205	20.3
165.09114	6.7
165.12720	1.7
167.08519	0.8
169.10178	2.8
171.10196	4.6
171.11740	4.4
173.09651	4.9
173.11852	0.8
173.13322	1.6
175.11240	4.4
177.12689	3.3
179.10683	1.1
181.10435	0.9
181.12248	12.3
183.11757	2.0
185.09691	1.0
185.13293	2.0
187.11192	2.1
187.14854	1.6
189.09450	0.8
189.11232	25.8
189.12697	1.7
191.10669	11.0
193.12273	5.3
195.11717	1.7
199.11179	2.3
199.14824	1.5
201.12784	0.8
203.14516	0.9
205.12234	2.0
207.13861	0.9
209.11777	3.0
209.13472	1.1
211.11325	0.7
211.13309	1.2
213.12779	0.8
213.16293	0.9
220.82761	0.9
223.13268	8.1
227.12790	22.0
227.14948	1.3
227.17981	2.4
231.13826	1.2
233.15417	0.8
237.16545	1.5
245.13927	1.2
245.18958	3.5
249.14899	2.5
255.17497	4.3
257.19177	0.8
263.20114	1.5
265.14389	1.1
267.15869	1.2
273.18500	41.1
275.20148	2.1
283.15427	3.4
289.17944	1.2
291.19559	100.0
292.20020	2.1
309.17242	0.8
309.20566	8.9
329.21201	1.9
347.22189	12.4
365.23248	38.0
366.23367	1.1
383.24298	10.6
411.29160	1.2
417.26917	0.8
421.26129	1.3
513.32043	1.5
517.31512	1.7
529.34796	1.2
531.33209	2.1
535.32611	3.0
545.35596	1.3
563.37592	1.6
581.38159	1.7
619.39813	1.3
637.40936	6.8
655.42047	14.6
673.31769	1.1
673.43158	15.4
691.32977	1.9
691.43994	11.2
692.43579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.0
55.01880	48.0
55.05516	77.9
57.03441	15.9
57.07079	20.6
59.05010	3.0
61.02934	1.9
65.03940	8.0
67.05510	97.5
69.03084	1.6
69.03441	18.7
69.07072	40.2
71.01353	3.7
71.05006	11.9
71.53383	2.4
73.02917	5.1
78.04714	1.6
79.05499	95.3
80.06233	1.5
81.03419	25.5
81.07063	100.0
82.04188	1.8
83.04993	39.5
83.08624	52.4
85.02896	9.1
85.06528	7.1
87.04468	2.9
91.05485	71.8
92.06286	2.0
93.07051	75.2
94.07836	2.5
95.04977	88.6
95.08612	50.0
96.05774	3.5
97.02903	8.9
97.06541	23.5
97.09546	2.3
97.10172	34.3
98.07322	2.3
99.04464	14.7
99.08092	5.1
100.05267	1.5
101.05997	1.6
103.05448	1.7
105.04539	1.7
105.07043	55.3
106.07832	2.0
107.04967	27.7
107.08599	59.7
109.02894	3.2
109.05792	2.4
109.06525	32.8
109.10162	41.5
111.04457	21.9
111.08096	15.7
113.06007	2.9
113.09666	1.2
115.05460	5.5
116.04725	2.8
117.05508	3.9
117.07025	23.2
119.04926	1.4
119.08590	49.7
120.09424	1.7
121.06531	15.9
121.10153	35.6
122.07285	2.7
123.04418	4.7
123.08086	20.2
123.11740	6.6
125.05987	3.0
125.09643	34.5
127.03937	2.4
127.07604	1.6
127.11176	6.4
128.06184	3.2
129.05498	4.8
129.07008	12.3
130.07782	2.6
131.08582	34.5
133.06509	7.0
133.10144	27.2
135.08067	18.6
135.11700	24.7
137.05962	4.5
137.09624	43.5
138.10423	2.0
139.07536	3.3
139.11194	7.7
141.06993	3.0
141.09099	1.7
142.07788	1.9
143.08575	10.6
144.09334	1.6
145.06493	4.3
145.10129	34.2
147.08069	13.7
147.11699	18.2
149.08426	2.1
149.09630	40.4
149.13271	5.7
151.07565	4.9
151.11174	7.0
153.09111	8.2
153.12747	6.6
155.08527	4.4
155.10681	3.5
156.09460	1.5
157.08754	2.2
157.10147	8.4
158.05746	8.4
159.06725	1.6
159.08034	4.2
159.11707	16.4
161.09645	13.3
161.13301	6.3
162.10370	1.4
163.07523	1.9
163.11192	46.0
165.09131	5.6
165.12775	6.3
167.08553	2.8
167.10686	2.3
169.10126	6.5
171.06522	15.0
171.07916	2.0
171.10181	5.0
171.11713	9.7
173.04472	2.4
173.09612	4.2
173.11749	4.7
173.13266	7.3
174.49490	1.2
175.11172	6.7
177.09190	1.5
177.12767	9.4
179.10698	2.7
181.10353	1.5
181.12192	7.1
183.11697	4.6
184.07312	1.9
185.08131	4.8
185.09644	2.5
185.11716	1.8
185.13248	3.1
187.11185	5.9
187.14816	2.6
189.11234	18.2
189.12827	4.0
191.10625	4.2
193.12215	8.1
195.11783	1.9
197.13271	4.2
199.09698	7.1
199.13229	2.6
199.14886	2.8
201.12875	2.2
201.14853	3.7
205.12256	10.1
205.15907	1.6
207.13800	4.5
209.11641	2.4
211.13264	3.6
213.11162	2.4
215.14391	2.4
215.18008	1.9
217.15805	1.6
221.11726	3.7
223.13304	72.9
224.13824	1.5
225.14980	1.8
226.12003	3.1
227.12711	12.8
227.17854	2.7
229.14403	5.2
229.19571	4.2
233.15421	1.8
239.12936	2.7
239.17992	4.8
241.14403	3.2
242.15179	3.1
245.19073	2.6
247.20569	3.0
255.15758	10.3
257.18973	13.4
261.18463	1.4
263.20132	1.6
267.15927	2.0
269.17383	2.3
271.16809	2.4
273.18506	17.7
275.20074	78.8
283.18973	1.6
289.18030	6.9
290.18640	1.5
291.19534	22.6
292.20270	1.9
293.21127	44.0
295.15396	5.0
297.17087	1.7
307.19125	3.5
309.20642	1.7
311.22159	5.4
331.22757	2.5
340.18655	1.4
347.22168	11.1
349.23813	17.0
351.24310	1.3
363.21750	4.3
365.23169	9.8
367.24878	17.1
381.22366	8.5
381.27045	2.5
383.24329	2.0
399.23666	3.9
421.25916	5.0
423.83362	1.6
424.28171	2.5
449.28922	4.0
492.34570	2.5
521.34583	5.9
529.34943	5.3
547.36444	2.1
561.38031	3.0
587.35736	2.0
605.36896	3.2
637.39606	1.5
639.42664	6.8
655.41608	3.1
657.43555	6.3
673.43341	12.3
691.45258	37.5
692.43555	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	691.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91457	1.2
50.95440	1.2
53.03949	7.2
55.01624	1.8
55.01875	19.4
55.05515	63.6
57.03232	1.1
57.03442	11.3
57.07067	2.3
59.05009	2.0
59.34947	1.1
65.03946	4.9
67.05509	66.4
69.03432	10.2
69.07072	43.4
71.05005	7.8
71.96277	1.0
73.02927	1.2
77.03931	2.2
79.05497	74.4
79.41444	1.0
80.05812	1.4
81.03423	20.9
81.07061	91.3
82.07410	1.3
83.04985	25.5
83.08622	40.9
84.35522	1.1
85.02905	8.1
85.06528	5.2
89.06022	2.1
91.04903	2.4
91.05484	57.8
93.07050	70.0
95.04971	100.0
95.08614	37.0
97.02919	4.2
97.06528	16.7
97.10177	31.2
97.13711	1.1
99.00826	2.7
99.04466	8.4
99.08105	3.9
103.05463	1.7
105.04536	1.6
105.07038	56.7
106.02518	1.0
106.07372	1.3
107.04966	26.7
107.08598	52.9
108.08873	1.3
109.02879	6.6
109.06530	20.9
109.10155	23.6
111.04439	22.9
111.08086	11.9
113.02365	1.1
113.06002	1.9
115.05466	3.5
116.06249	1.4
117.07022	25.3
119.08591	41.1
121.02907	1.6
121.06525	17.4
121.09338	2.0
121.10155	28.8
123.04443	5.0
123.08080	13.7
123.11713	5.3
125.05982	3.6
125.09630	22.8
128.06224	5.8
129.05527	2.1
129.06995	10.2
131.08578	30.2
133.06532	5.7
133.08614	1.7
133.10136	33.5
135.04434	1.4
135.08067	24.5
135.11699	14.9
137.09627	10.4
139.07536	1.8
139.11185	2.3
141.06993	5.0
142.07756	4.3
143.08530	9.7
145.06470	7.2
145.09062	2.3
145.10141	31.8
147.08060	15.6
147.11690	15.9
149.09633	37.1
149.13263	2.4
151.11186	4.5
153.09117	5.3
153.12762	7.0
155.08589	4.2
155.10667	1.4
156.09406	1.6
157.10175	7.1
159.08052	7.0
159.11703	15.5
160.08632	1.5
161.09639	12.6
161.13301	5.4
163.07581	9.6
163.11188	38.3
163.12564	2.2
163.14932	1.3
165.09132	2.8
165.12762	4.8
167.08644	2.2
167.10657	1.6
169.10136	4.6
171.10214	2.9
171.11723	5.4
173.04323	1.8
173.09625	5.3
173.11877	1.9
173.13289	6.1
175.11247	5.8
175.14870	2.2
177.09090	2.2
177.12769	5.8
179.08618	1.5
179.10690	3.8
179.14319	1.3
181.10126	1.9
181.12181	6.5
183.11697	5.3
185.09674	2.4
185.13293	3.0
187.11150	5.8
187.14833	2.0
189.09340	3.1
189.11227	21.7
189.12793	2.6
191.10677	2.9
191.14243	2.2
193.10463	2.0
193.12239	24.4
197.13309	3.6
199.11270	1.5
201.12753	1.8
203.14391	1.6
205.12253	7.4
207.13831	2.1
209.11607	1.7
211.13303	4.1
211.15031	1.7
215.17982	1.7
219.13992	1.4
221.11731	1.8
223.13290	55.2
225.11096	1.6
225.16383	1.6
227.12755	11.1
229.19489	2.1
233.15527	2.0
239.17982	4.4
243.17438	3.9
245.19080	1.8
247.20705	1.3
255.17648	1.9
257.18988	8.4
261.18576	4.9
271.16953	7.2
273.18478	11.6
275.20081	84.8
283.15469	5.1
289.17984	29.1
291.19571	9.2
293.17828	2.8
293.21124	59.7
307.19009	8.1
311.22003	2.4
331.22678	1.8
345.20471	1.9
347.22272	4.0
349.23730	17.6
363.21686	11.9
365.23236	2.9
367.24814	50.6
381.22733	82.3
382.23032	2.0
399.19299	3.6
511.34390	1.7
529.36005	2.8
563.37256	1.8
581.37927	1.7
637.40619	4.0
655.42078	14.9
673.43323	51.6
674.42847	1.7
691.39886	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	691.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03948	7.5
53.88853	1.0
55.01637	1.2
55.01868	6.8
55.05516	28.9
57.03440	17.9
57.07066	3.1
61.02930	1.2
61.36725	1.1
65.03941	4.4
67.05508	88.1
68.78815	1.0
69.03432	25.0
69.07073	25.4
69.81544	5.5
71.01354	2.2
71.04999	10.1
73.02924	2.5
75.04484	4.2
79.05498	60.4
81.03425	41.5
81.07060	100.0
83.04990	22.4
83.08624	16.7
85.02898	9.1
85.06544	6.3
86.09651	1.2
86.77738	1.2
87.04518	1.4
91.05485	46.5
93.07051	71.3
95.04963	13.6
95.08611	55.1
95.94260	1.1
97.02898	13.0
97.06528	10.1
97.10178	5.0
99.04478	4.8
99.08107	4.0
101.02404	1.8
101.05986	1.3
103.05440	2.0
105.04514	1.7
105.07039	37.7
107.04955	5.6
107.08604	36.3
109.02878	5.8
109.06534	6.8
109.10164	17.0
111.04446	5.8
111.08081	5.3
115.05462	2.1
115.07566	1.9
117.07017	20.2
119.04928	1.5
119.07803	2.3
119.08593	24.8
119.09463	1.5
121.06532	6.1
121.10146	24.8
123.04427	2.7
123.08084	3.8
123.11726	10.9
125.09669	1.7
127.03940	6.6
127.12098	1.2
128.06195	2.6
129.05496	9.4
129.06995	10.7
130.07845	1.6
131.04936	1.3
131.08566	28.3
133.06509	4.3
133.10138	20.6
135.08070	5.3
135.11703	17.9
137.05959	2.0
137.09619	3.0
139.11176	1.9
141.06973	3.1
143.08557	9.5
145.05035	1.2
145.06503	4.2
145.10124	12.3
147.08054	4.2
147.11711	16.2
149.09641	4.1
149.13271	22.2
150.39709	1.1
151.11201	2.5
153.06966	1.4
155.08556	4.5
157.06516	1.7
157.10133	10.6
159.08060	2.8
159.11700	18.5
161.09666	2.9
161.13260	5.9
163.11198	2.4
163.14792	2.3
165.12764	4.7
167.08545	2.0
167.14313	1.7
169.10153	5.9
171.07997	2.7
171.11656	6.4
173.04448	1.6
173.09628	1.2
173.13258	9.3
175.11206	2.5
175.14810	2.9
176.66577	1.2
177.12750	7.3
179.14288	1.2
181.10139	2.8
183.08080	1.3
183.11697	3.9
184.07314	2.4
185.09633	2.2
185.11684	1.0
185.13307	4.6
187.11287	2.0
187.14867	3.1
189.12825	1.2
195.11830	2.2
195.13818	11.4
197.13237	3.0
199.11259	1.7
199.14850	3.4
201.12756	1.5
201.16412	1.3
203.14371	2.1
207.11858	1.5
209.13249	2.3
211.11234	1.4
211.14822	1.7
213.12895	1.2
213.14784	2.3
215.14468	1.5
219.13918	1.5
221.15401	1.6
229.14236	1.3
233.15437	1.7
237.16353	1.2
241.19762	1.2
243.21140	1.7
249.14857	1.7
259.20670	3.3
261.19650	1.2
261.22134	7.1
265.19458	1.3
267.15939	5.3
269.17490	32.3
273.22260	2.0
275.19992	1.7
277.21655	1.4
283.20569	1.5
285.17157	2.1
289.21710	1.5
297.22049	1.4
299.23602	1.5
301.21640	4.2
303.15933	1.2
303.23126	1.5
313.21518	1.5
317.24658	2.6
319.22742	2.6
321.17035	1.3
327.23248	2.0
335.25809	39.8
337.27332	3.9
339.18127	4.6
345.24283	1.7
351.23154	4.4
353.24710	1.2
357.24298	1.4
369.24240	8.0
387.25333	6.2
395.20724	1.9
405.26404	3.8
413.21735	10.3
437.34189	1.8
443.28030	2.8
456.79370	1.1
461.28967	4.0
479.29990	3.8
527.37543	1.7
529.38928	58.6
530.39392	1.6
545.37769	1.6
547.39856	3.2
571.39490	1.7
583.40411	1.4
613.40417	1.5
637.40698	4.5
655.42395	6.3
661.08606	1.4
673.43164	21.1
691.44104	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	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.5
53.03944	6.6
55.01879	24.0
55.05514	54.3
57.03444	12.4
57.06869	1.2
57.07079	12.7
63.02389	1.3
65.03947	7.4
66.04714	2.1
67.05508	87.0
69.03429	12.4
69.07071	32.6
71.01362	1.4
71.04993	7.7
71.52672	2.4
73.02924	2.9
73.06544	1.6
77.03948	1.8
79.05495	78.8
81.03419	16.7
81.07059	100.0
83.04987	22.3
83.08618	35.1
84.02057	1.5
85.02894	4.5
85.06574	3.4
91.05485	70.8
93.07047	66.3
93.23737	1.5
94.07821	1.8
95.04970	40.8
95.08617	47.6
96.05801	2.2
97.02909	10.4
97.06541	16.8
97.10172	19.6
98.07333	1.7
99.04472	4.4
99.08111	5.0
103.05467	1.7
105.04564	2.7
105.06320	2.7
105.07034	54.7
107.04958	25.4
107.08599	51.7
109.02889	4.3
109.06523	24.4
109.10155	34.4
109.88987	1.5
110.10436	1.5
111.04474	8.8
111.08094	12.0
113.06023	2.9
115.05453	3.7
116.04694	2.0
116.06267	1.9
117.05527	1.8
117.07024	23.3
119.08582	44.7
121.06510	13.4
121.10149	27.3
121.10957	2.9
123.04448	4.6
123.08075	15.2
123.11720	4.6
123.78988	1.4
125.05988	2.6
125.09634	17.5
127.07581	1.9
127.11230	4.7
128.06242	3.1
129.05484	4.8
129.07008	9.1
131.08565	28.9
133.06509	6.7
133.10129	39.1
135.08064	17.9
135.11699	21.2
137.06023	3.1
137.09613	23.8
139.11163	4.4
141.06952	3.1
142.07828	2.0
143.08583	10.7
145.06505	5.0
145.10133	30.1
147.08037	8.8
147.11688	21.1
149.09616	29.5
149.13289	4.7
151.07565	3.2
151.11226	9.4
153.09119	4.6
153.12744	2.6
154.07828	2.3
155.08569	5.6
155.10692	2.5
157.06558	1.9
157.08722	2.9
157.10136	10.6
158.05835	2.1
159.08054	5.2
159.11697	18.5
161.09612	12.4
161.13278	5.8
163.07545	3.2
163.11182	33.9
165.09149	4.4
165.12785	6.3
167.08646	2.0
167.10690	2.8
169.10161	5.6
171.11681	10.2
173.09616	6.4
173.11871	2.0
173.13277	5.9
175.11241	7.1
175.14871	2.6
177.12750	7.1
179.10678	3.2
181.12234	5.1
183.11703	5.7
185.11728	1.9
185.13245	2.6
187.11191	3.8
187.14824	2.3
189.11230	8.3
189.12761	3.3
189.16522	2.0
191.10721	4.1
191.14380	2.5
193.12221	4.3
197.07373	1.8
197.13264	5.4
199.11285	1.8
199.13266	2.4
201.12839	2.9
201.14752	1.8
205.12233	5.2
207.13832	3.1
209.11761	2.2
210.14064	1.9
211.14938	2.3
215.14172	2.7
219.13857	1.8
221.11674	3.5
223.13228	8.3
227.12787	6.8
229.14334	3.7
229.19527	3.6
233.15407	3.5
239.12727	2.2
239.18126	7.9
245.19086	2.5
247.20677	3.6
249.14824	2.0
253.14317	2.6
255.15843	4.6
257.19037	12.2
261.14847	1.7
263.20200	1.6
265.14429	1.8
271.17062	3.5
273.18527	24.0
275.20062	61.6
276.20541	2.2
279.15741	2.4
289.18127	8.4
290.18613	1.7
291.19586	23.3
292.19992	1.7
293.21152	12.6
295.15439	2.5
307.19064	2.4
309.20801	2.2
329.21167	2.2
331.22531	1.9
347.22256	11.0
349.23782	26.9
351.25232	2.1
363.21689	4.1
365.23328	9.6
367.24792	8.4
381.22635	5.5
381.26917	3.5
381.91028	2.1
383.20038	2.1
399.19403	1.9
399.23792	7.6
423.27606	2.8
511.33917	2.0
529.35602	6.1
543.36035	1.9
621.41406	1.8
637.40845	3.6
639.42340	5.3
655.41479	6.7
673.42999	12.0
691.42944	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	691.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	8.0
55.01883	7.6
55.05270	2.4
55.05515	28.6
56.13624	1.3
57.03442	14.1
57.07063	3.9
59.33806	1.1
61.02921	1.3
65.03938	5.8
67.05511	86.1
67.49924	1.3
69.03429	23.3
69.07075	21.8
71.01336	2.0
71.04997	7.6
71.78874	1.2
73.02910	3.3
75.04475	2.6
79.05501	55.1
81.03428	41.7
81.07063	100.0
82.07403	1.4
83.04981	19.7
83.08626	17.2
85.02914	7.4
85.06567	6.3
91.05491	47.0
93.07050	70.1
95.04974	15.1
95.08617	53.6
97.02906	13.6
97.06548	15.6
97.10167	4.6
99.04441	4.5
99.08073	3.1
103.05472	2.0
105.04546	3.0
105.07040	43.3
107.04967	6.1
107.08608	38.7
109.02871	6.9
109.06550	8.2
109.10172	20.4
111.04440	5.7
111.08102	6.1
113.06023	2.0
115.05440	3.0
116.06274	2.0
117.07021	19.8
119.08595	28.5
121.06506	5.9
121.10156	23.1
123.04455	2.4
123.08091	4.3
123.11727	10.6
125.09605	3.1
127.03919	5.4
128.06183	2.8
129.05482	5.9
129.07005	10.6
131.08578	32.0
133.06502	3.8
133.10139	23.5
135.08061	4.7
135.11703	19.7
137.09636	4.3
139.11223	2.7
141.07007	4.1
142.07788	2.1
143.08565	10.2
144.09258	1.9
145.06491	5.3
145.10136	18.7
147.08052	5.2
147.11679	24.1
149.09630	4.8
149.13264	17.7
151.07600	2.1
151.11201	3.3
155.08568	6.9
157.10136	11.3
159.08063	4.3
159.11716	22.9
161.09599	4.0
161.13327	7.2
163.07529	1.6
163.11185	4.1
163.14799	1.6
165.12776	6.0
167.08546	2.1
169.10182	6.5
171.08047	1.8
171.11690	6.5
173.09697	2.8
173.12009	1.4
173.13295	10.0
175.07494	1.6
175.11186	2.3
175.14906	2.8
177.09087	2.0
177.12747	9.0
181.10149	3.5
181.12196	1.5
183.11729	6.3
185.09637	2.1
185.13303	7.0
187.07587	1.4
187.11209	3.3
187.14821	3.9
189.12805	2.5
193.10324	1.6
193.12236	3.0
195.11870	2.9
195.13820	10.2
197.13237	3.1
199.14899	2.4
209.13307	3.6
211.11298	1.4
213.12961	1.9
213.14801	2.8
219.13826	1.4
223.14862	1.5
225.12871	2.5
233.15356	1.9
243.13850	1.8
243.21123	2.1
249.14635	1.6
257.19067	1.8
259.20532	3.4
261.22195	5.4
267.15997	6.6
269.17480	36.9
273.18839	1.4
273.22083	2.3
275.20081	4.3
277.21637	4.1
285.17038	2.5
289.21704	2.1
301.21634	5.5
303.23175	1.9
313.21603	1.8
315.23193	1.7
319.22595	2.0
327.23215	4.4
335.25894	22.7
337.27261	4.6
339.18146	3.9
341.24677	3.5
345.24405	2.7
351.23178	6.3
357.24469	1.9
359.25858	2.0
369.24255	10.9
375.25552	1.8
387.25269	7.6
395.20926	1.7
405.26465	3.6
411.20337	2.3
413.21552	7.4
437.34195	1.6
443.28107	5.7
455.34964	2.6
461.28870	5.9
479.29694	7.0
527.37122	1.7
529.38947	43.2
547.39600	4.5
553.38617	1.6
553.77142	1.5
613.40637	2.8
637.41583	6.3
643.41913	1.8
655.41833	12.3
673.43127	31.5
691.44116	19.7
724.15039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	1.4
53.03945	9.1
55.01874	6.2
55.05280	2.0
55.05517	30.6
57.03437	16.7
57.07072	2.6
58.52645	1.1
59.04998	1.5
61.02927	1.8
65.03945	6.3
67.05508	84.1
69.03086	1.7
69.03431	23.4
69.06738	1.9
69.07075	27.7
69.13886	9.2
69.14289	2.9
70.19946	1.2
71.01345	1.7
71.04989	10.1
72.02003	1.4
73.02918	1.4
75.04476	2.4
78.56034	1.3
79.05499	57.3
81.03424	41.0
81.07060	100.0
83.04988	28.2
83.08624	14.7
83.85562	1.3
85.02905	7.6
85.06532	6.2
91.04909	1.9
91.05487	46.7
93.07048	71.3
94.87508	1.1
95.04969	11.8
95.08613	52.8
97.02903	11.7
97.06532	10.7
97.10176	4.9
98.01061	1.1
99.04448	5.2
99.08089	3.8
102.82612	1.0
103.03943	2.0
103.05470	2.1
105.04508	2.5
105.07037	33.4
107.04987	6.2
107.07879	2.5
107.08602	44.1
109.02880	8.5
109.06549	7.5
109.10163	20.5
111.04456	7.6
111.08099	6.5
111.11771	1.3
115.03893	1.8
115.05457	2.3
117.07027	18.9
119.04953	1.6
119.08589	23.8
121.06541	5.8
121.09338	2.1
121.10152	30.2
123.04422	1.4
123.08060	5.5
123.11722	11.3
125.05997	1.9
125.09606	3.1
127.03926	9.8
128.06245	1.5
129.05504	10.2
129.07001	9.3
130.50397	1.1
131.04935	2.2
131.08582	22.8
133.06508	3.6
133.10135	24.1
135.08083	5.5
135.11707	17.5
137.05954	1.3
137.09631	3.9
137.13213	2.1
139.07579	1.3
139.11169	1.3
141.06985	3.4
142.07745	2.5
143.08588	8.3
145.06470	3.7
145.10112	16.8
147.08034	4.3
147.11714	19.8
149.09608	4.0
149.13261	22.5
151.07564	1.8
151.11139	2.2
155.08536	5.5
157.06477	1.8
157.10103	9.5
159.08058	4.3
159.11696	22.6
161.09647	2.4
161.13249	5.0
163.11162	2.8
163.14822	2.6
165.12753	5.1
167.08597	2.3
169.10167	3.6
171.08066	1.7
171.11690	5.9
173.09610	2.5
173.13235	9.7
175.11198	3.6
175.14748	3.4
177.12752	6.9
179.08568	1.2
181.10059	1.9
183.11682	4.0
184.07310	3.0
185.09619	1.8
185.13185	7.1
187.11169	2.6
187.14799	4.0
193.10164	1.6
193.12192	1.5
195.11865	2.0
195.13802	11.0
197.13330	2.7
199.11153	1.8
199.14865	3.4
201.12654	2.2
201.16348	1.5
203.14369	1.5
205.12297	1.6
207.11714	2.2
209.13292	2.1
211.11136	2.0
211.14789	2.6
213.12788	1.4
215.10715	1.4
215.14343	1.8
217.15750	2.0
219.13820	2.3
221.13272	1.4
221.15256	2.0
225.16397	1.3
233.15318	1.8
243.20995	1.8
249.14719	2.0
257.15353	2.4
259.20612	4.1
261.14795	2.4
261.22095	7.7
267.15857	8.0
269.17474	31.8
275.16446	1.7
277.21350	1.7
279.23041	1.4
285.17105	1.4
293.17358	1.9
301.21579	5.0
303.23029	2.3
313.21616	1.8
315.23331	1.4
317.24857	1.6
319.22974	1.4
321.16840	1.3
323.23627	2.3
327.23318	3.2
335.25836	46.7
337.27396	3.6
339.18091	4.4
341.24734	3.3
351.23166	4.0
363.25589	1.3
369.24353	9.4
371.25580	2.2
375.25266	1.3
377.19833	1.4
387.25296	4.7
395.20789	2.4
405.26404	4.4
413.21741	12.6
443.27817	3.0
455.35019	1.9
461.29062	6.1
479.29910	6.6
527.36639	1.6
529.38940	65.9
530.39075	1.5
547.39594	3.8
571.39691	1.8
577.84082	1.3
595.39587	1.3
599.40063	1.4
619.39905	1.6
624.64166	1.4
637.41290	7.5
655.41656	6.6
673.43176	23.4
691.44379	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	691.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
55.01864	6.7
55.05270	2.5
55.05517	31.4
57.03449	13.0
57.07075	4.7
58.86680	1.4
60.51308	1.6
61.02916	4.2
65.03933	5.8
67.05510	70.6
69.03143	1.4
69.03439	17.4
69.06738	1.6
69.07079	24.4
70.79900	1.4
71.04994	8.6
73.02921	2.7
75.04480	7.3
79.05495	58.4
81.03426	40.0
81.07061	100.0
83.04980	19.3
83.08614	18.6
84.08916	1.6
84.67806	1.5
85.02898	6.0
85.06536	5.2
91.05485	52.6
92.05791	1.9
93.07050	59.7
95.04964	20.8
95.08612	44.4
97.02896	13.8
97.06539	15.0
97.10168	8.9
99.04447	5.4
99.08099	3.3
99.91579	1.7
103.05447	1.9
105.07037	46.1
106.24632	1.7
107.04964	9.0
107.08601	38.3
109.02888	7.2
109.06538	16.2
109.10161	19.8
111.04459	9.3
111.08108	10.1
113.06038	3.3
115.05441	3.8
117.07021	21.9
117.93676	1.5
119.07809	2.9
119.08594	35.3
121.06501	7.0
121.10149	25.9
123.04425	3.2
123.08067	11.5
123.11723	10.1
125.05955	1.8
125.09641	5.5
127.03935	5.8
128.06218	3.6
129.05476	5.6
129.07024	13.0
129.63123	1.8
130.07767	2.4
131.08568	24.8
133.06476	5.6
133.10139	24.5
135.08054	9.2
135.11703	16.5
137.09621	7.1
137.13228	3.4
139.11197	1.7
141.06989	3.0
142.07802	3.5
143.08568	10.8
145.06485	5.0
145.10133	17.8
147.08006	8.0
147.11682	20.5
149.05890	1.8
149.09641	8.3
149.13284	12.7
151.07533	3.6
151.11194	4.8
153.06915	2.0
153.09166	1.8
155.08591	6.0
157.06535	2.4
157.10117	11.4
159.08052	4.4
159.11702	18.0
161.09631	9.5
161.13269	4.6
163.07587	1.7
163.11250	9.4
163.14796	1.6
165.09114	1.6
165.12796	4.4
167.08411	1.6
169.10123	6.7
171.11696	10.6
173.09625	4.1
173.13219	7.5
175.11235	5.1
175.14740	4.1
177.12715	6.5
181.10110	2.9
181.12286	3.3
183.08055	2.0
183.11723	6.0
185.09549	2.7
185.13307	5.7
187.11143	2.6
187.14832	2.5
189.11188	2.8
189.12735	2.7
191.10596	1.9
191.14380	2.5
193.10271	1.8
193.12247	4.9
195.11725	2.5
195.13766	5.8
197.13338	3.5
199.14807	5.5
201.12566	2.2
203.14284	3.0
207.13782	1.9
209.13237	2.3
213.16447	1.8
215.14333	2.4
217.15849	1.9
217.58597	1.7
221.11574	1.9
221.15341	3.3
223.13251	2.9
223.29831	1.6
233.15472	2.3
249.14929	2.3
251.16454	3.5
253.17909	2.1
255.17519	1.6
257.18988	2.6
259.20688	1.8
261.22153	1.9
263.16437	6.7
267.15970	7.4
269.17413	22.8
273.18546	11.2
273.21503	1.7
275.20126	13.7
277.21722	1.8
289.18146	3.1
289.21558	2.3
291.19540	9.5
293.21091	1.7
301.21515	4.5
303.23111	2.4
313.21640	1.9
323.23584	1.8
335.25732	9.0
337.27426	2.7
347.22168	4.8
349.23697	5.0
351.22873	2.2
363.21576	2.1
365.23212	2.4
369.24170	6.9
387.25275	4.4
395.20731	2.6
399.19284	1.9
411.19855	2.7
413.21591	3.7
437.33948	2.2
443.27591	2.0
461.28851	5.2
479.29782	4.3
529.39252	18.8
547.39386	3.0
595.38568	1.6
601.37799	1.7
603.17029	1.6
613.41107	2.8
623.67188	1.9
637.41150	10.8
655.41577	6.8
659.42120	2.8
673.43585	16.0
691.44305	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	691.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.3
55.01883	7.0
55.05271	2.3
55.05516	26.5
57.03442	12.1
57.07066	3.0
65.03943	4.9
67.05510	78.7
69.03439	21.4
69.07072	25.3
71.01373	1.7
71.04996	7.8
75.04487	1.5
79.05499	51.1
80.50184	1.2
81.03426	36.0
81.07063	100.0
83.04985	16.7
83.08630	14.4
85.02900	7.2
85.06541	4.4
87.04462	1.9
91.05489	50.6
91.30807	1.3
93.07051	64.1
94.95631	1.4
95.04980	12.7
95.08615	49.6
97.02893	10.8
97.06547	12.1
97.10188	5.2
98.20623	2.4
99.04461	5.1
99.08099	3.4
103.03970	1.8
103.05499	1.4
105.07030	33.0
105.07699	2.4
107.04948	6.4
107.08602	36.6
109.02894	5.1
109.06528	6.9
109.10168	19.9
111.04447	6.5
111.08086	8.2
115.05419	1.8
117.07029	16.6
119.08595	27.0
121.06501	6.0
121.10147	23.3
123.04406	2.4
123.08035	4.1
123.11729	8.9
125.09634	2.3
125.87116	1.3
127.03918	5.8
127.07565	1.8
128.06274	3.6
129.05533	7.4
129.07013	11.0
131.04889	1.5
131.08575	25.3
133.06488	4.5
133.10133	20.4
135.08073	6.7
135.11694	19.2
137.06076	1.3
137.09586	2.5
137.13332	1.5
139.11185	1.6
141.07018	4.3
142.07808	2.5
143.08611	9.8
145.06509	3.8
145.10129	15.7
147.08023	2.2
147.11684	18.3
149.09631	5.0
149.13264	17.7
151.07520	1.5
151.11183	3.2
153.07114	1.6
155.08594	5.6
155.09784	1.3
157.06485	2.7
157.10143	11.0
158.69408	1.2
159.08040	3.9
159.11697	18.0
161.09637	4.8
161.13286	6.4
163.11218	3.5
165.12791	6.0
168.09261	2.1
169.10147	5.1
171.08180	1.6
171.11688	7.9
173.09567	3.0
173.13280	8.9
175.07545	1.2
175.11220	4.0
175.14845	3.7
177.02074	1.4
177.12743	6.9
179.08566	1.7
179.14310	2.6
181.10088	2.5
183.08147	2.0
183.11696	5.2
185.09598	2.7
185.13268	5.9
187.11281	3.6
187.14827	4.6
189.12758	2.9
195.11917	2.7
195.13823	8.7
197.13242	3.0
201.12825	2.2
203.14282	2.1
209.13300	2.4
213.12917	1.5
213.14807	2.7
219.13803	2.2
221.13408	1.4
235.16959	1.6
241.19574	1.7
259.20654	2.4
261.22211	6.0
267.15897	6.4
269.17496	32.1
275.20175	7.6
277.21661	3.1
285.17102	1.9
295.21097	1.4
301.21658	4.2
303.23254	2.7
313.21594	1.9
319.22717	2.0
327.23270	1.9
335.25839	26.9
337.16125	2.0
337.27417	4.9
339.18036	2.9
341.24884	2.3
345.24231	2.0
349.23636	2.7
351.23117	5.1
369.24319	11.6
371.25696	1.9
387.25293	6.9
395.20929	1.6
405.26306	4.6
413.21768	5.9
425.26791	3.1
443.28110	3.8
461.28912	5.3
479.29926	7.0
529.39044	37.1
547.39709	2.2
599.39697	1.4
619.40192	2.0
625.40308	1.3
637.40924	5.2
655.41779	7.3
673.43396	29.3
674.42822	1.5
691.44208	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	691.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03946	7.8
55.01862	5.3
55.05278	1.8
55.05519	26.1
57.03442	12.6
57.07072	4.0
63.52111	1.5
65.03940	4.0
67.05511	79.5
69.03086	1.9
69.03438	23.2
69.07072	25.9
69.43620	6.1
69.44038	4.9
71.01363	1.4
71.04998	8.3
71.67010	1.2
73.02934	1.6
75.04481	4.5
79.05502	58.4
81.03429	33.4
81.07064	100.0
83.04990	20.4
83.08632	16.6
85.02906	8.0
85.06538	4.8
86.09715	6.9
91.05492	44.6
93.07053	67.3
95.04993	13.3
95.08612	49.3
97.02902	10.6
97.06533	10.3
97.10174	5.0
98.20853	2.0
98.98479	1.7
99.04461	4.3
99.08099	1.8
103.05470	1.8
105.04499	1.9
105.07044	35.2
107.04984	7.5
107.08601	38.3
109.02886	6.9
109.06515	8.0
109.10165	17.9
111.04446	8.0
111.08078	6.2
113.09642	1.7
115.05425	4.1
115.07587	1.7
117.07018	20.8
119.08597	24.0
121.06500	6.1
121.10163	26.8
121.55045	1.4
123.08109	3.7
123.11725	6.9
124.99973	3.2
125.09628	3.4
127.03926	6.4
128.06227	3.0
129.05537	8.7
129.07002	10.4
131.04935	2.8
131.08588	26.4
133.06485	3.4
133.10144	24.8
135.08041	4.8
135.11708	15.2
137.06087	1.4
137.09618	2.1
137.13260	1.8
139.11223	2.2
141.07042	3.9
141.09184	1.8
142.07797	3.0
143.08549	7.8
145.06517	2.3
145.10133	18.7
147.08031	4.1
147.11714	18.8
149.09636	5.6
149.13277	20.8
151.07483	1.4
151.11189	1.6
153.07054	1.8
155.08589	4.4
156.09367	1.6
157.06456	2.9
157.10147	9.1
159.08057	4.4
159.11726	17.8
161.09563	2.1
161.13252	6.9
163.11162	4.1
163.14841	2.8
165.07063	2.0
165.09079	1.6
165.12717	5.2
167.08611	2.1
169.10175	4.4
171.11749	7.0
173.09613	2.4
173.13203	6.7
175.11223	4.6
175.14777	2.9
175.83563	1.3
177.12723	6.2
179.08624	1.4
179.14240	1.9
181.10173	4.8
181.12099	2.1
181.24670	1.6
183.11690	4.4
184.07347	21.7
185.07695	2.8
185.13289	5.8
187.11163	1.8
187.14790	2.0
189.12785	2.3
191.14250	2.2
191.48557	1.4
193.12198	1.6
195.11823	2.8
195.13805	10.6
197.13242	2.9
199.14813	5.3
201.12759	2.5
207.11809	3.5
209.13281	2.1
213.12892	1.7
213.14792	1.9
213.16573	2.3
219.13774	2.0
223.14848	1.7
225.12926	2.0
241.19620	2.4
259.20572	3.0
261.22116	6.9
267.15970	5.0
269.17487	32.7
275.16281	1.9
277.21436	2.0
283.20645	1.8
285.22028	1.8
289.21683	2.0
301.21561	2.8
303.15802	2.9
303.23038	1.5
315.23038	1.7
317.24683	1.5
322.89270	1.5
335.25879	29.1
339.18039	4.0
345.24203	2.4
351.23080	4.5
369.24365	8.9
377.19177	1.8
387.25140	5.0
395.20456	1.6
405.26254	3.2
413.21613	6.7
427.02939	1.5
443.28082	4.2
461.28745	6.7
479.30191	5.6
511.37845	1.8
527.36353	1.6
529.38940	51.7
530.39038	1.6
547.39941	1.6
595.39465	1.8
637.40887	5.8
655.41675	5.5
673.43268	21.8
691.44067	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	691.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89770	0.9
53.03948	4.8
54.24059	0.8
55.01630	1.3
55.01871	16.7
55.05513	41.2
57.03447	8.2
57.07067	1.8
59.04996	2.0
61.02901	1.2
65.03928	3.8
67.05506	52.9
69.03427	7.3
69.07067	21.8
70.06579	1.9
70.73176	1.1
71.04995	5.9
71.52831	1.7
73.02905	1.1
75.10725	1.0
77.03928	1.2
79.05495	56.8
81.03426	15.6
81.07057	100.0
83.04977	26.6
83.08151	1.4
83.08622	20.1
85.02899	8.3
85.06524	3.4
91.05486	35.3
93.07047	44.4
95.04969	22.0
95.08605	27.8
97.02885	4.1
97.06531	14.8
97.10173	28.1
99.04449	6.1
99.08077	3.6
103.05421	1.1
105.04469	1.6
105.06310	1.6
105.07028	30.5
107.04964	13.8
107.07877	2.2
107.08598	33.8
109.02882	2.7
109.06522	14.9
109.09476	1.5
109.10166	18.4
111.04438	21.7
111.08085	10.9
115.05456	1.1
116.06184	1.3
117.07007	14.0
119.04982	2.0
119.08581	28.0
121.06508	12.9
121.10143	19.5
123.04447	1.7
123.08067	32.9
123.11689	2.8
125.06001	2.5
125.09631	26.1
127.03871	1.3
128.06207	1.6
129.07004	9.0
130.07787	2.0
131.04959	1.3
131.08572	18.9
133.06471	4.0
133.10133	14.6
135.08052	9.5
135.11703	16.4
137.09612	7.5
139.07491	1.6
139.11209	1.8
141.06969	1.7
142.07793	1.9
143.08540	8.4
143.91508	1.1
145.06491	4.0
145.10114	21.2
147.08032	10.4
147.11687	11.0
149.09627	8.4
149.13258	2.8
151.11182	2.2
153.09180	5.4
153.12758	10.1
155.08557	4.1
157.10126	7.0
159.08096	4.0
159.11681	8.4
161.09682	7.1
161.13246	2.3
163.11188	22.3
163.14832	1.2
165.09102	5.4
165.12775	1.5
167.08528	1.3
169.10153	3.1
171.07912	1.2
171.10158	3.3
171.11682	4.7
173.09612	4.8
173.11745	1.2
173.13162	2.1
175.11171	5.7
177.08879	1.2
177.12782	3.5
178.05026	1.6
179.14343	1.7
181.09962	1.4
181.12233	12.7
183.11661	1.7
185.09711	2.1
185.13216	3.8
187.11192	2.5
187.14957	1.3
189.11218	21.2
189.12811	2.3
191.10690	9.6
193.12263	4.7
195.11658	1.9
199.11176	1.6
203.14339	1.9
207.13763	1.1
209.11720	3.2
209.13383	1.3
215.14267	2.4
219.13718	1.8
223.13219	5.6
227.12788	17.8
227.17914	2.7
231.17296	1.1
237.16452	1.7
245.18988	3.9
249.14812	2.3
255.17398	4.3
257.18997	1.8
263.19974	2.0
269.17349	1.9
273.18484	37.2
275.20020	9.1
283.15338	2.4
289.17850	1.7
291.19550	79.4
293.21204	1.4
309.20514	8.4
347.22220	10.0
349.23734	17.5
365.23248	32.0
383.24338	10.5
407.24524	1.1
493.28119	1.1
494.28287	4.0
529.34833	3.1
531.32947	2.6
535.32532	2.9
581.39569	1.3
589.07202	1.2
597.38806	1.2
637.40735	6.2
655.42047	13.0
673.43164	16.0
691.44324	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	691.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01876	10.7
55.05518	30.9
57.03439	7.7
57.07072	2.2
59.04991	1.1
63.49204	1.0
65.03938	3.5
67.05509	58.1
68.99763	1.1
69.03431	9.2
69.06734	1.6
69.07074	22.0
71.01318	1.1
71.05002	6.1
71.52583	1.9
73.02924	1.8
75.04458	1.7
77.03938	1.7
79.05024	1.5
79.05497	55.9
81.03423	27.8
81.07062	84.4
83.04993	12.2
83.08145	1.6
83.08624	17.0
85.02899	4.4
85.06538	3.0
91.05485	49.5
93.07049	45.6
95.04973	26.0
95.08614	33.3
97.02882	4.7
97.06553	8.9
97.10165	9.1
99.04460	3.1
99.08090	1.9
103.05492	3.3
105.04504	2.3
105.07034	42.7
107.04961	18.1
107.08600	29.6
109.02884	1.8
109.06535	14.0
109.10165	19.6
110.95930	1.3
111.04419	3.8
111.08094	5.4
115.05437	5.8
117.07029	23.9
119.04939	2.2
119.08587	39.6
121.06518	12.6
121.10148	17.8
123.08067	17.1
123.11722	5.3
125.05990	1.8
125.09636	8.1
127.03944	2.3
128.06218	4.7
129.05467	2.8
129.07008	15.5
130.07770	1.3
131.04929	2.5
131.08582	28.0
132.05650	1.4
133.06528	7.9
133.10135	17.7
135.04440	1.1
135.08052	10.7
135.11699	10.1
137.09634	5.8
139.07553	1.2
139.11203	1.4
141.06992	4.0
142.07756	4.1
143.08586	15.6
145.00571	1.2
145.06476	4.9
145.10123	22.2
146.07236	1.7
147.08052	19.7
147.11685	11.1
147.24178	1.1
149.09636	11.0
149.13284	6.5
151.07532	1.9
151.11188	1.9
153.07011	1.7
153.09120	2.0
155.08560	4.5
155.10719	1.2
156.09332	1.4
157.06490	1.3
157.10144	12.1
159.08076	9.0
159.11705	13.5
161.09624	27.3
161.13248	4.5
163.11189	13.5
163.14896	1.4
165.09125	1.9
165.12752	3.6
167.08592	3.4
169.10136	3.1
171.08055	2.1
171.10368	1.4
171.11682	6.5
173.09642	3.6
173.13271	3.8
175.11182	5.9
177.09087	1.8
177.12773	3.6
179.14247	1.6
181.10121	2.8
181.12128	1.6
182.10522	1.1
183.11699	3.5
184.08861	1.2
185.09599	3.9
185.13301	6.1
187.11171	3.0
189.09256	1.4
189.11227	6.2
189.12766	3.8
191.10503	1.3
191.14256	1.8
193.10196	1.3
193.12233	3.2
195.11671	3.8
195.13800	3.3
197.07297	3.0
197.13354	2.6
199.11208	3.0
199.14819	1.4
201.12752	2.0
201.16414	1.6
205.12291	2.1
209.09702	1.0
209.13315	2.7
213.16458	1.4
221.15414	1.8
223.13243	3.0
227.12675	3.0
227.17986	4.0
237.16425	2.0
245.19003	6.8
249.14923	2.0
251.16324	1.5
255.17522	6.9
267.15854	3.6
269.17429	10.0
271.16986	2.4
273.18506	100.0
274.18930	1.9
275.20132	6.1
279.15781	1.5
279.67722	1.2
287.16629	1.6
287.19992	1.5
289.17880	1.8
291.19562	49.7
301.21765	1.8
303.23322	1.3
309.16193	4.6
311.19925	1.4
319.22739	1.2
329.21173	8.2
335.25717	2.3
337.27374	1.6
347.22165	38.9
349.23569	2.9
351.22989	1.1
353.24728	1.3
365.23315	2.6
369.24118	1.9
383.19696	4.9
387.25391	1.9
399.19366	2.1
401.20911	23.5
411.19965	1.5
413.21725	2.1
443.28094	1.7
461.28857	1.7
513.31964	1.4
529.39246	7.8
545.36096	1.2
547.40076	1.4
581.33301	1.5
619.39868	3.2
637.40778	8.8
655.39612	3.4
673.38330	12.4
691.41827	7.9
714.89105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03946	7.8
54.53866	0.7
55.01629	1.4
55.01877	17.1
55.05515	46.8
57.03439	6.4
57.07081	2.2
57.24725	0.8
59.04995	1.8
61.02911	1.0
65.03963	4.9
67.05511	53.0
68.99802	0.8
69.03450	6.9
69.07074	24.1
71.04998	7.5
71.53043	0.8
75.04489	2.1
77.03946	1.8
79.05500	59.3
81.03431	10.6
81.07064	64.3
83.04993	19.0
83.08626	28.4
85.02908	5.6
85.06541	3.5
86.09711	1.4
87.04452	1.2
91.04917	2.0
91.05489	51.0
93.07053	55.9
95.04978	71.5
95.08616	28.1
96.79872	0.9
97.02888	3.5
97.06548	8.2
97.10178	16.6
99.04458	9.9
99.08066	1.5
101.05993	0.9
103.05479	3.0
105.04542	2.0
105.06321	1.0
105.07040	41.2
107.04961	17.1
107.08606	47.1
108.08974	1.3
109.02887	3.0
109.05824	0.8
109.06548	14.6
109.10168	19.0
111.04450	17.3
111.08097	8.8
113.05983	1.5
115.05446	3.8
117.01052	2.4
117.07032	23.6
119.04935	1.1
119.08591	34.6
121.06515	13.8
121.10152	22.2
123.04419	2.0
123.08094	11.6
123.11731	3.3
125.06028	1.3
125.09644	15.2
128.06236	2.9
129.01044	2.6
129.07010	9.5
130.07784	2.3
130.98991	3.5
131.02574	0.8
131.08575	22.1
132.08891	0.8
133.06517	3.6
133.10143	20.8
135.08069	23.6
135.11699	10.7
137.05995	1.4
137.09622	7.1
139.07599	0.7
139.11209	3.5
141.01016	1.6
141.07021	3.8
141.09082	1.1
142.07831	1.8
143.08582	9.4
145.06511	5.0
145.10133	24.6
147.08060	9.2
147.10658	1.3
147.11700	9.8
149.06047	1.1
149.09633	27.5
149.13264	2.9
151.07509	1.3
151.11191	3.1
153.04674	1.3
153.09142	3.6
153.12726	1.8
155.08598	3.9
157.10126	7.0
159.08063	5.4
159.11697	11.0
159.12881	1.1
161.09636	9.9
161.13257	4.5
163.07567	6.7
163.11189	26.2
165.09167	1.9
165.12775	2.1
167.08528	1.1
167.10725	1.6
169.10110	5.6
169.12379	1.2
171.05753	4.3
171.10182	2.3
171.11729	4.1
173.09665	3.7
173.11871	1.5
173.13319	5.7
174.13652	0.9
175.11269	4.4
175.14966	1.1
177.12732	4.3
179.10715	2.1
181.10194	1.6
181.12274	2.9
183.11757	4.3
184.07350	3.4
185.09572	1.1
185.13309	2.6
187.11230	5.1
189.09499	1.4
189.11253	13.7
189.12761	1.6
191.10623	2.1
191.14386	1.6
193.12294	2.6
193.42950	0.9
195.11798	1.5
197.09618	0.9
197.13313	3.0
199.05215	2.9
199.11229	1.3
199.14796	2.0
201.12822	1.7
205.12256	6.4
207.13878	1.4
209.13376	1.6
209.15318	0.9
210.08002	0.9
211.13248	2.2
215.14342	1.5
215.18024	1.4
219.13806	1.0
221.11868	1.7
223.13300	62.5
224.13525	0.8
225.16420	1.5
227.12782	3.1
229.19583	2.8
233.19006	1.1
237.14856	1.3
239.18027	3.4
243.17468	3.3
245.19072	1.0
247.20538	2.7
253.15936	1.2
257.09314	1.2
257.19016	8.5
261.18701	1.9
265.21353	1.0
271.16949	3.8
273.18536	8.6
275.20087	56.5
279.15530	3.1
289.17996	8.4
291.19711	4.6
293.17819	1.9
293.21133	39.5
307.14679	1.4
311.22174	1.3
325.15887	2.6
326.87595	0.9
331.22662	1.7
347.22260	3.0
349.23801	13.8
365.23401	1.1
366.23672	0.9
367.24667	3.9
381.26251	1.4
399.19394	8.0
401.21243	0.9
435.28812	1.0
528.37701	0.9
529.39014	4.3
563.37726	1.2
581.38806	1.9
619.39612	1.2
623.42822	1.1
637.41150	6.8
641.44379	1.5
655.41882	1.5
673.38202	8.9
691.39722	100.0
692.39941	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	691.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01863	2.3
55.05515	4.9
57.03442	4.1
57.07067	0.9
61.02930	5.9
65.03941	0.6
67.05183	0.8
67.05510	12.1
69.03423	3.2
69.07077	6.3
70.06580	1.9
71.01350	0.5
71.04978	1.6
73.02905	2.0
79.05495	10.0
81.03430	4.4
81.07063	15.7
81.15108	0.5
83.04981	4.2
83.08632	4.8
84.04535	0.6
84.08138	1.8
85.02902	6.0
85.06534	1.1
86.09697	1.7
91.03960	2.7
91.05490	9.4
93.07050	12.8
95.04968	4.0
95.08616	10.0
97.02885	5.5
97.06533	3.5
97.10158	1.7
98.20818	1.6
99.04457	1.7
99.08071	0.9
105.07040	11.1
107.04987	3.9
107.08591	7.4
109.02870	1.7
109.06513	6.9
109.10161	3.6
111.08083	1.1
115.03903	0.6
117.07022	4.1
119.04924	0.6
119.08584	8.5
120.08106	0.7
121.06509	4.6
121.10156	5.3
123.04416	1.0
123.08080	3.0
123.11688	1.7
125.09650	0.8
127.03928	2.5
129.07008	1.4
131.08586	7.4
133.06499	1.8
133.10133	9.5
135.08090	2.6
135.11739	3.3
137.09628	1.6
137.13173	0.7
141.07021	0.9
143.08540	1.5
145.04932	1.1
145.06522	1.3
145.10132	7.1
147.08064	1.2
147.11702	7.3
149.09595	4.4
149.13254	1.9
151.11194	1.7
157.10106	1.9
159.08047	1.5
159.11661	3.9
161.09607	2.1
161.13260	2.0
163.11197	5.1
163.14763	0.7
165.12759	1.2
167.10596	0.5
169.10098	1.6
171.11670	1.4
173.09590	1.2
173.13297	3.1
175.11107	1.2
177.12749	1.9
183.06508	0.6
183.11766	1.0
185.13297	0.9
187.11151	0.8
187.14751	0.5
189.12683	0.7
189.87718	0.5
191.14348	1.2
193.12286	1.2
197.13306	1.2
198.13367	0.6
201.12715	1.0
207.13840	2.2
211.13246	1.3
213.16357	0.6
215.18019	1.1
215.34097	0.5
219.13832	1.5
227.12674	0.9
229.19545	2.0
233.18987	0.6
235.13365	0.7
239.17963	2.0
247.20636	2.0
256.10562	0.6
257.19025	4.8
269.17462	2.0
275.20090	32.7
276.20352	0.7
283.15381	0.7
285.16959	1.1
291.19302	0.5
293.21127	5.5
349.23746	100.0
350.24033	2.0
367.24808	7.8
391.24823	1.2
433.25534	0.6
463.26178	0.6
475.26611	1.0
476.27356	0.7
487.73080	0.5
493.27753	1.9
494.28510	2.6
511.28925	3.1
511.35501	0.6
529.29779	0.7
629.40033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01864	2.8
55.05511	7.6
56.96563	1.2
57.03440	5.7
57.07076	1.4
61.02927	6.2
65.03925	1.1
67.05506	14.8
69.03428	5.1
69.07066	9.7
70.06581	2.1
70.10641	2.5
71.04994	1.8
72.08152	1.2
73.02923	2.1
79.05495	15.0
80.05821	1.4
81.03417	10.2
81.07055	19.2
82.03764	1.2
83.04977	7.4
83.08613	9.9
84.08130	3.4
85.02905	10.3
85.06557	1.2
86.09708	2.1
91.03943	3.4
91.05484	16.0
93.07043	18.1
94.07412	1.0
95.04973	6.0
95.08610	12.2
97.02893	8.0
97.06522	3.3
97.10184	1.5
99.04468	1.5
105.07029	17.6
107.04960	6.1
107.08600	12.6
109.02850	1.6
109.06507	5.4
109.10165	6.9
110.07127	0.9
111.04431	1.0
111.08100	2.2
115.05481	1.2
117.07015	5.3
119.08579	13.2
120.08891	1.0
121.06496	6.8
121.10152	8.0
123.08069	4.6
123.11727	2.1
125.09639	1.0
127.03904	3.4
129.07010	3.8
129.10147	1.0
131.08572	11.6
133.06520	2.4
133.10139	13.3
135.08038	3.6
135.11687	5.3
137.05969	1.2
137.09612	2.3
139.07538	0.9
143.08563	2.9
145.04973	1.9
145.10120	11.7
147.08012	2.5
147.11682	10.4
149.09639	5.6
149.13278	3.4
151.11166	2.4
155.08527	1.0
157.10110	3.6
159.08038	2.3
159.11679	5.5
161.09608	3.6
161.13251	2.4
163.06027	1.3
163.11205	7.5
163.68016	0.9
165.12735	1.4
169.10063	1.2
171.11627	2.1
173.09598	2.1
173.13257	3.4
175.11223	4.5
177.12730	1.5
179.10747	1.1
183.11732	2.0
187.11125	1.0
189.12679	1.2
191.14340	1.2
193.12192	4.2
194.12599	1.9
197.13278	1.1
201.12733	2.3
203.14447	1.3
205.16075	1.0
207.13730	2.3
211.13159	4.3
212.13638	3.9
219.13712	1.8
227.12784	1.0
229.19492	2.2
231.17735	0.9
239.17995	2.8
247.20560	2.8
255.09033	4.8
257.18994	7.6
267.15997	1.2
270.89825	1.1
273.10001	2.9
275.20056	53.7
283.15430	6.0
284.15726	3.2
285.16910	3.3
286.17233	2.5
291.19452	1.6
293.21130	6.6
317.28577	0.9
337.27209	0.9
347.15305	1.8
349.23734	100.0
350.23907	3.1
365.16385	3.2
367.24783	32.2
383.17368	2.9
475.27103	1.1
476.27133	3.6
493.27914	6.4
494.28268	15.0
511.29022	3.8
691.36646	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	690.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01863	10.5
55.05513	25.0
57.03427	7.4
61.02928	4.3
65.03940	2.4
67.05508	37.9
68.05834	2.9
69.03451	4.8
69.07083	18.4
70.06577	3.7
71.05005	4.4
71.52605	3.4
73.02914	3.0
76.81790	2.0
79.05493	39.3
80.06306	2.6
81.03429	15.2
81.07063	60.9
83.04989	10.2
83.08633	11.5
84.08167	2.8
85.02893	8.6
85.06532	3.2
85.91867	2.5
86.09704	5.4
88.29227	1.8
91.04005	2.7
91.05484	34.5
92.34953	1.8
93.07039	30.4
94.04180	7.7
95.04971	26.9
95.08607	17.6
96.05766	4.3
97.02911	6.2
97.06527	8.3
97.10155	9.9
99.04456	3.3
102.80728	1.9
105.07035	28.7
107.04962	34.1
107.08607	19.9
108.05756	3.1
108.08952	2.7
109.06533	17.0
109.10152	9.4
111.04453	4.8
111.08076	5.6
111.97191	2.0
115.05446	2.6
116.04721	2.5
117.07013	21.0
119.04927	3.4
119.08583	30.2
120.05708	2.7
121.06528	15.0
121.10136	15.5
123.08064	16.0
123.11721	2.0
125.09636	10.0
127.03930	2.2
129.05472	8.6
129.07007	10.5
131.08568	18.0
133.06496	12.6
133.10110	13.9
135.08041	14.6
135.11714	9.2
137.09662	5.8
139.11197	2.8
141.06964	2.4
143.08551	7.9
145.06493	6.7
145.10129	22.3
147.08052	18.1
147.11699	8.3
149.09642	15.8
149.13246	2.4
153.12724	2.2
155.08646	3.3
157.10135	8.9
159.08035	3.4
159.11699	8.8
161.09644	15.2
163.11194	24.5
164.11952	3.4
165.12764	3.6
169.10130	3.3
171.11667	4.1
173.09621	3.8
173.13284	2.3
175.11211	7.3
177.12714	13.9
181.10031	2.2
184.07356	3.1
185.13269	3.0
187.11163	2.2
189.11212	5.7
189.12779	4.4
191.10683	3.5
193.12178	5.5
205.12234	4.3
213.12772	2.8
223.13351	10.3
227.12727	3.7
245.19032	2.9
255.17441	5.0
256.18381	2.9
273.18539	40.8
274.19098	10.1
282.24484	2.1
290.18188	2.1
291.19534	82.2
292.20084	6.7
294.18634	2.2
297.16998	6.6
311.18484	3.6
347.22287	16.1
348.22668	3.1
349.23676	2.2
365.23264	61.0
366.23898	17.0
401.09851	14.1
412.50970	2.2
475.13403	35.4
487.15900	2.5
493.14474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.7
53.03951	11.4
55.01863	6.1
55.05516	24.8
57.03439	10.3
57.07064	4.8
59.04992	1.6
61.02928	12.9
63.43357	1.3
65.03922	3.6
65.73879	1.6
67.05505	57.5
69.03430	23.5
69.03783	2.8
69.07066	20.3
69.47868	4.6
69.48299	5.8
70.39178	1.8
71.05000	8.6
71.08637	2.1
73.02930	7.2
75.04403	1.3
77.03931	2.6
79.05498	45.9
81.02928	2.2
81.03421	55.6
81.07060	71.5
83.04991	17.6
83.08624	11.1
85.02901	15.5
85.06528	4.6
89.06055	2.3
91.03954	4.3
91.05482	43.1
93.07044	54.4
95.04971	7.6
95.08608	38.5
95.09075	1.0
97.02895	24.8
97.06522	8.1
97.10171	4.7
99.04489	8.2
99.08097	3.0
101.02373	2.1
103.05447	1.6
105.04503	3.1
105.07029	44.5
107.04938	5.8
107.08601	30.5
109.02874	7.6
109.06515	5.8
109.10151	13.4
111.04440	3.7
111.08075	3.2
115.03976	1.6
115.05450	3.3
116.06269	1.7
117.07016	28.4
119.08578	30.7
121.06536	3.2
121.10136	21.5
123.04417	1.8
123.08084	4.2
123.11738	8.3
125.09618	4.0
127.03912	7.7
128.06224	2.8
129.05492	6.6
129.07008	20.3
130.07843	1.6
131.08574	35.3
133.06505	2.4
133.10133	22.7
133.23685	1.3
135.08043	4.0
135.11740	12.5
137.09665	3.6
141.07001	10.5
142.07782	3.4
143.08572	26.4
144.09341	2.2
145.06493	2.6
145.10136	26.6
147.08072	4.1
147.11697	24.2
149.09618	4.1
149.13269	9.9
149.51561	1.5
151.11186	2.3
153.07005	2.7
155.08542	19.4
156.09398	2.2
157.06445	2.1
157.10114	17.9
158.10840	1.8
159.08093	4.7
159.11696	23.4
159.12883	2.2
161.09639	2.6
161.13284	6.2
163.11136	3.3
165.07005	1.8
165.12831	4.1
167.08574	6.0
168.09438	3.2
169.10120	15.1
171.08116	2.8
171.11702	18.0
173.04463	14.6
173.09689	3.9
173.13278	11.3
175.11179	2.1
175.14844	3.5
177.12787	4.2
179.08559	3.0
180.09366	2.5
181.10130	8.8
182.10928	2.4
183.11691	12.7
185.09625	1.7
185.13239	12.9
187.14854	4.2
189.12749	1.7
193.10176	5.1
195.11736	8.5
195.13788	3.2
197.13292	11.0
199.11333	2.0
199.14821	7.8
201.16431	2.3
205.10098	1.7
207.11705	4.5
209.13312	7.8
211.11276	2.2
211.14859	4.9
213.12866	2.6
213.16499	2.7
221.13403	3.8
223.14923	7.4
225.16444	3.6
233.19299	1.7
237.16487	2.9
239.18127	1.9
240.47377	1.4
241.19594	4.4
257.19052	4.1
259.20636	8.1
261.22263	4.1
264.93341	1.6
267.15985	5.8
269.17432	11.0
271.17230	2.0
271.20602	3.1
273.18747	2.1
273.22327	2.0
275.20187	2.1
283.20706	1.9
284.41638	1.6
285.17047	2.0
290.20218	1.5
301.21634	2.5
311.23694	2.7
316.47900	1.6
321.22235	1.8
323.23792	1.8
325.21695	2.7
333.24237	5.7
335.26016	2.5
339.23090	1.9
353.24585	2.0
367.22751	4.3
369.24341	1.9
375.25342	1.8
379.26346	1.9
385.23785	3.1
411.19913	1.9
413.21838	3.4
417.31442	4.6
435.32748	11.0
441.26349	2.0
453.33856	7.4
471.35287	1.8
501.35333	1.7
509.36035	9.7
511.37772	1.6
517.38977	3.7
525.35791	5.3
527.37341	100.0
528.37463	4.1
529.38837	2.9
539.37341	3.1
541.38306	2.2
543.36743	1.8
545.38318	9.7
579.36536	1.9
597.37500	2.6
611.39484	2.2
623.40210	2.8
635.39630	10.7
653.40552	9.6
671.41577	15.6
689.42584	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.8
53.03946	8.5
55.01874	5.5
55.05512	28.8
57.03442	13.1
57.07085	6.3
59.42783	0.9
59.98682	1.0
61.02925	8.4
65.03925	3.9
67.05505	66.8
69.03433	28.0
69.07069	22.3
71.01348	1.8
71.04996	10.2
71.08632	3.9
73.02927	6.4
73.06572	1.6
75.04489	1.6
79.05498	51.1
81.02924	1.9
81.03420	53.4
81.07057	75.7
83.04980	17.3
83.08627	15.3
85.02907	12.1
85.06535	4.4
85.10176	2.3
87.04470	1.9
89.06030	5.1
91.03942	3.8
91.05483	55.1
93.07045	55.7
95.04977	8.7
95.08610	39.5
97.02893	27.1
97.06551	7.8
97.10170	6.1
98.21568	2.0
99.04456	8.5
99.08098	3.8
101.02374	2.4
103.03964	1.9
103.05476	2.2
105.04527	2.5
105.07036	44.5
107.04948	5.8
107.08594	30.1
108.69504	1.1
109.02883	6.8
109.06538	6.7
109.10156	14.6
111.04465	4.6
111.08082	3.3
111.11758	1.3
113.06038	1.4
115.05448	3.0
116.06210	1.1
117.07018	25.0
119.04983	1.6
119.08584	35.7
121.06531	5.7
121.10139	23.7
123.04425	2.2
123.08084	5.8
123.11708	8.0
125.09624	3.5
127.03928	11.8
128.06212	5.1
129.05519	7.1
129.06993	20.1
130.07809	2.0
131.08574	39.4
133.06528	2.3
133.08636	2.6
133.10129	25.8
135.08078	5.5
135.11693	15.0
137.06085	1.2
137.09625	3.2
137.13316	1.9
139.07454	1.1
139.11142	1.5
141.06996	6.5
142.07800	4.3
143.08571	23.5
145.04956	1.3
145.06514	4.7
145.10135	28.8
147.08057	4.2
147.11690	24.0
149.09637	4.5
149.13261	9.7
151.11192	1.7
153.07021	2.7
154.07890	1.9
155.08557	15.2
157.10127	21.8
159.08089	3.3
159.11697	23.0
161.09677	2.9
161.13245	10.5
163.11232	2.2
163.14856	2.3
165.12776	4.3
167.08580	7.9
168.09389	2.2
169.10138	18.8
171.08055	2.4
171.11678	20.9
173.04497	13.6
173.05884	1.9
173.09624	3.8
173.13287	12.5
175.07599	1.2
175.11263	3.2
175.14868	3.2
177.12799	4.5
179.08620	2.7
181.10074	9.1
182.10922	1.7
183.06589	1.3
183.08151	1.8
183.11722	14.3
185.09647	2.6
185.13229	13.4
187.11281	2.1
187.13420	1.2
187.14825	6.0
189.12729	2.1
189.16434	1.2
193.10231	4.0
193.12279	3.8
194.10902	1.9
195.08133	1.2
195.11749	7.8
195.13875	3.9
197.09705	1.9
197.13249	11.3
199.06003	1.3
199.11186	1.9
199.14787	8.0
201.12762	1.7
201.16399	2.1
203.10698	1.4
203.14462	2.0
205.10281	1.2
206.11038	1.4
207.11755	4.6
207.13768	1.7
209.13333	5.2
211.11317	2.1
211.14813	6.1
213.12866	2.2
213.16432	2.9
215.14371	1.7
221.13292	2.8
223.11288	1.6
223.14926	4.6
225.12804	2.7
225.16403	4.0
227.18112	1.5
229.14285	2.0
231.21004	1.5
233.13193	1.4
233.15347	1.4
235.14903	2.2
237.16394	2.4
239.18089	2.8
241.19667	3.7
243.21274	2.3
251.18089	2.2
253.19597	1.7
255.17490	1.3
257.18958	2.7
259.20596	10.2
261.22235	4.7
263.18054	1.5
263.36145	1.2
265.19586	1.5
267.15814	7.4
269.17236	7.3
271.17398	1.0
271.20663	4.1
273.14966	1.4
273.18622	2.8
275.20178	2.7
281.19101	1.3
283.20590	3.0
285.17047	4.5
291.54138	1.2
297.22223	2.7
301.21738	2.9
309.22177	1.6
311.23560	1.5
313.21725	2.1
315.23236	2.0
321.22174	3.4
325.21759	2.6
327.23300	1.8
333.24585	7.6
335.25870	4.8
337.21545	1.8
337.25381	1.3
339.18347	1.5
339.23291	3.9
341.24738	2.0
343.22659	1.4
349.21515	2.6
351.23364	3.4
353.24658	1.9
367.22748	4.2
369.24408	2.2
387.25464	1.8
391.24786	1.2
411.20096	1.6
413.21854	3.9
417.31747	3.4
435.32666	12.2
437.34039	1.4
441.26688	2.7
453.33743	6.9
459.27295	1.4
471.34836	3.9
501.35889	3.2
509.36404	8.7
515.36493	1.7
517.39282	2.4
525.35614	4.4
527.37347	100.0
528.37616	2.9
529.39130	3.5
539.37091	2.3
543.36603	2.6
545.38550	9.1
548.40314	1.9
551.37549	2.1
555.37061	1.9
557.38422	2.1
561.35419	1.6
569.38153	3.1
587.38605	1.4
593.38379	1.5
597.37823	1.8
607.40717	1.2
611.39758	1.4
617.38300	2.3
623.39313	2.8
635.39514	11.2
653.40466	14.0
664.04517	1.5
668.74615	1.2
671.41614	19.1
689.42566	55.0
690.42603	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	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.6
52.46923	1.4
52.48640	1.2
53.03946	7.7
55.01876	9.2
55.05269	1.9
55.05515	28.4
57.03434	13.3
57.07057	4.1
61.02930	12.4
65.03924	5.2
67.05508	61.1
69.03431	20.9
69.07070	23.7
69.29320	12.1
71.01344	1.6
71.04997	11.5
73.02924	8.8
79.05495	46.3
81.03423	45.0
81.07061	74.4
83.04985	13.9
83.08620	14.4
85.02910	17.9
85.06522	3.9
87.04442	2.1
91.03964	4.6
91.05482	51.4
93.07044	52.4
95.04954	10.0
95.08611	39.5
97.02898	22.8
97.03894	1.3
97.06550	7.6
97.10161	4.5
99.04471	8.8
99.08099	3.5
101.02361	2.7
105.01495	1.3
105.04546	1.3
105.07038	46.5
107.04975	7.3
107.08598	29.8
109.02869	9.0
109.06522	9.5
109.10145	16.1
111.04460	5.9
111.08075	5.1
115.05438	2.8
117.07018	27.5
119.08585	34.4
120.08947	1.5
121.06489	3.1
121.10147	22.0
123.08057	5.3
123.11716	7.3
125.09605	2.5
127.03902	9.9
128.06207	4.6
129.05443	6.3
129.07005	17.4
130.07796	1.5
131.04901	2.0
131.08586	36.2
133.06506	3.4
133.10146	24.1
135.08047	5.8
135.11688	12.1
137.09680	2.1
141.06972	6.7
142.07767	3.8
143.08565	26.0
144.09267	1.4
145.06493	2.9
145.10141	28.6
147.08052	4.8
147.11676	22.9
149.09567	4.2
149.13248	11.3
151.11188	2.0
153.06947	1.6
154.07770	2.7
155.08540	14.7
156.09346	2.6
157.06473	2.8
157.10143	21.0
159.08034	2.4
159.11708	21.7
161.09604	4.0
161.13225	11.1
163.11160	4.1
163.14812	1.7
165.07047	2.4
165.12726	4.3
167.08621	5.7
168.09288	1.5
169.10143	15.1
171.08067	1.8
171.11688	17.8
173.04488	8.5
173.09641	3.0
173.13237	11.8
175.11194	3.9
175.14822	4.2
177.12712	3.8
179.08522	2.1
181.10086	8.1
183.11705	13.0
185.09624	2.4
185.13278	11.4
187.11188	3.9
187.14844	5.1
193.10202	2.5
193.12247	1.5
195.11691	9.8
195.13797	4.5
197.09651	1.8
197.13255	10.8
199.11264	2.2
199.14879	6.5
201.12762	1.8
201.16412	1.9
205.10127	2.0
205.15807	1.5
206.10832	1.6
207.11653	2.8
209.13316	6.9
211.14832	6.4
213.12697	2.4
213.14561	1.8
213.16425	3.4
219.11777	2.6
221.13374	2.2
223.14774	5.1
225.12721	2.2
225.16406	2.4
237.16391	2.5
241.19478	5.7
257.19046	2.6
259.20605	8.9
261.22067	2.5
267.15906	4.6
269.17233	8.4
271.20471	3.7
273.18530	5.6
285.16772	3.4
285.22067	1.5
289.18161	1.7
289.21851	1.6
291.19678	2.0
295.20630	1.9
297.22186	1.5
299.19922	1.6
301.21594	3.2
305.64313	1.6
309.21982	1.5
311.23776	2.0
313.21725	2.0
323.19699	1.5
323.23712	3.1
325.21478	1.9
327.23187	1.9
333.24365	9.1
335.25970	3.5
339.18103	2.7
347.22256	1.9
349.21472	1.4
351.23120	2.4
357.24487	1.7
367.22687	4.4
369.24112	2.1
375.25266	1.7
385.23654	4.0
387.25021	1.8
403.24811	1.9
411.20148	1.4
413.21628	4.7
417.31473	2.8
425.27051	1.7
435.32794	9.0
453.33585	5.5
471.34845	2.4
477.28467	2.0
509.36093	8.1
525.35657	4.3
527.37378	100.0
528.37640	3.0
529.38556	3.9
539.37122	3.1
543.36090	2.2
545.38403	5.1
551.37469	2.1
561.36340	1.8
569.38263	2.4
611.38177	2.1
623.38989	4.1
635.39545	11.2
653.40277	14.1
671.41492	18.9
689.42664	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.9
53.03946	13.5
55.01876	7.6
55.05270	2.3
55.05518	30.6
57.03442	16.1
57.07076	5.2
59.05011	2.1
61.02931	8.5
65.03949	5.7
67.05509	72.6
69.03431	25.6
69.03779	2.5
69.07072	23.4
70.75776	3.7
71.01353	3.0
71.05002	12.0
73.02915	7.4
77.03943	2.3
77.24722	1.3
77.75453	1.3
79.05497	54.6
81.03423	79.8
81.07060	86.9
83.04982	26.4
83.08624	15.3
85.02908	15.5
85.06561	5.7
91.03957	4.3
91.05489	60.7
93.07049	71.3
95.04971	12.7
95.08612	50.9
97.02899	32.3
97.06516	8.3
97.10184	5.7
99.04450	9.2
99.08125	2.0
103.05490	1.6
105.04539	2.6
105.07040	48.9
107.04958	7.8
107.08600	33.5
109.02905	9.4
109.06509	7.3
109.10158	16.5
111.04449	8.0
111.08106	6.7
115.05472	4.1
117.07030	24.5
119.08601	39.6
121.06516	3.5
121.10156	22.2
121.10949	2.4
123.08095	4.0
123.11697	8.5
125.09705	4.5
127.03894	9.0
128.06277	5.0
129.05537	8.7
129.07025	19.3
131.08574	37.9
133.06502	4.0
133.10139	29.5
135.08066	6.1
135.11694	19.2
137.09631	4.2
141.06987	7.8
142.07794	4.6
143.08566	23.9
145.06554	2.1
145.10136	33.3
147.08150	4.6
147.11696	23.2
149.09631	4.6
149.13283	13.5
153.06966	1.8
154.07841	2.4
155.08569	15.1
156.09373	2.6
157.10144	22.7
159.08121	2.9
159.11699	27.1
159.12889	2.5
161.09680	4.5
161.13271	9.9
163.07545	2.0
163.11243	5.2
165.07042	3.1
165.12773	8.7
166.07846	2.5
167.08609	4.8
168.09415	2.1
169.10156	15.3
170.10791	1.8
171.08090	2.0
171.11710	21.1
173.04486	22.0
173.05905	2.4
173.09705	3.4
173.13266	14.0
175.11229	4.4
175.14899	3.6
177.09225	1.6
177.12798	3.9
179.08580	3.3
180.74112	1.6
181.10143	8.0
183.08109	1.7
183.11684	14.2
185.09689	3.0
185.13252	12.8
187.11250	2.0
187.14879	5.9
189.12798	1.8
189.16455	1.8
191.10690	1.8
193.10202	4.3
193.12218	2.2
195.11775	10.5
195.13829	5.6
197.09569	3.0
197.13281	12.1
199.06114	2.0
199.11401	2.1
199.14883	5.8
201.12769	3.1
203.14281	2.7
207.11705	2.0
209.13298	8.2
211.13200	2.8
211.14917	4.3
213.12926	3.1
219.11819	2.4
221.13435	3.8
223.14867	5.8
225.16521	3.8
229.14330	2.2
235.14961	2.9
235.17026	1.8
237.16389	2.4
239.18158	2.4
241.19601	5.9
250.55009	1.7
257.19077	4.1
259.16760	1.7
259.20630	13.6
261.22266	6.7
267.15817	8.9
269.17383	8.4
271.20621	2.2
273.18570	2.8
275.20184	5.6
277.21582	2.5
283.20529	2.4
285.17087	4.7
285.22031	2.0
289.21729	2.5
291.19632	4.9
301.21729	2.8
311.23911	2.1
317.24878	2.1
327.23120	2.4
333.24384	8.8
335.25870	10.2
339.18475	2.9
339.23401	4.4
341.24866	1.6
349.21417	2.6
351.23288	2.0
355.18048	1.7
367.22867	4.7
369.24228	2.4
385.23755	2.1
411.20364	4.2
413.21829	6.3
417.31567	3.9
425.34351	3.0
435.32590	11.6
441.26279	2.2
453.33884	7.9
471.34698	2.6
491.36002	2.1
499.37753	2.1
501.35641	2.2
509.36392	8.9
515.37921	2.7
517.39063	4.2
525.35730	3.2
527.37360	100.0
528.37970	5.0
529.38995	4.3
539.37769	2.9
543.36975	3.4
545.38452	10.3
569.38983	2.6
593.38055	1.8
617.38196	3.6
635.39691	8.6
653.40765	11.2
671.41614	18.8
689.42676	75.4
690.42645	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.00312	0.7
53.03951	5.1
55.01876	17.3
55.02149	0.8
55.05515	35.4
57.03445	7.3
57.07077	1.5
59.05003	2.8
65.03944	4.6
66.04737	0.9
66.50519	0.6
67.05508	48.2
69.03439	5.9
69.07072	24.8
69.65347	0.6
69.77878	1.2
69.78283	2.3
71.01373	0.7
71.05003	4.8
71.08611	0.8
73.02921	0.7
77.03934	1.1
78.51888	0.6
79.05498	55.9
80.05806	0.8
81.03422	14.2
81.03864	1.1
81.07059	100.0
83.04986	20.9
83.08619	19.2
85.02915	5.8
85.06538	3.5
91.05485	39.6
93.07048	39.6
94.04191	1.0
95.01378	1.0
95.04974	23.6
95.08611	21.2
97.02900	3.5
97.06526	10.8
97.10172	23.3
99.00803	3.0
99.04451	4.2
99.08117	2.1
101.02406	0.8
103.05482	2.0
105.03401	1.0
105.04550	1.2
105.07038	30.2
107.04964	13.3
107.08598	29.8
109.02889	5.2
109.06522	15.6
109.10165	13.7
111.04450	18.7
111.08078	8.7
113.05994	0.6
115.03923	0.8
115.05466	2.8
116.06292	0.8
117.07021	18.2
117.07858	0.9
119.04956	1.5
119.08587	27.6
121.02841	0.9
121.06516	12.5
121.10148	12.2
123.04452	3.5
123.08077	24.9
123.11714	2.4
125.06026	2.6
125.09634	17.8
127.03918	0.9
128.06233	3.1
129.05579	1.0
129.07008	7.8
130.07825	1.2
131.04922	0.7
131.08569	16.2
133.06525	5.1
133.10143	16.1
135.04431	1.4
135.08067	13.9
135.11693	11.7
137.06012	2.1
137.09621	8.3
139.07576	2.3
139.11198	1.3
141.07011	2.0
142.07809	1.7
143.08569	8.0
145.06496	5.7
145.10130	18.0
146.07320	1.1
147.08057	13.3
147.11687	7.0
148.08809	0.7
149.05994	1.3
149.09627	7.0
149.13275	2.0
151.07561	1.0
151.11192	2.0
153.07088	1.2
153.09163	4.9
153.12737	9.4
154.07825	1.0
155.08575	4.1
157.06535	1.0
157.10138	6.3
159.08073	6.8
159.11684	6.5
161.05989	0.9
161.09639	10.5
161.13251	1.4
163.07552	4.8
163.11186	18.2
165.09123	4.8
165.12817	1.6
166.07742	0.6
167.08585	1.1
169.10168	2.6
171.08125	2.1
171.10194	2.5
171.11766	3.0
173.09625	4.5
173.13297	2.1
175.11166	3.9
177.09048	0.9
177.12794	1.7
179.10706	4.0
181.10107	1.0
181.12248	10.1
183.08040	0.7
183.11717	2.0
185.09624	1.9
185.13275	2.4
187.11252	2.1
187.14931	0.9
189.09340	1.6
189.11223	19.3
189.12769	2.1
191.10675	9.2
191.12311	0.6
193.10471	0.9
193.12262	14.3
195.11742	1.4
195.13840	0.8
196.67094	0.6
197.09772	0.7
197.11732	0.6
197.13400	0.8
199.11272	1.5
201.12794	1.7
203.10742	0.6
203.14348	1.0
205.12328	2.1
207.11835	1.0
209.11638	3.6
211.11357	1.2
211.13223	1.2
211.14952	1.0
213.12862	1.0
213.16441	0.8
219.13867	1.3
223.13287	8.6
225.11241	1.2
227.12769	18.5
227.17982	2.0
231.17514	0.7
233.15431	0.9
243.17529	2.1
245.19133	2.4
249.14925	1.9
253.15843	0.8
255.17505	3.0
257.19138	0.8
261.18600	3.5
263.20200	0.8
271.17041	4.6
273.18512	27.2
275.20129	1.6
283.15366	4.1
289.18002	19.2
289.21262	1.0
291.19550	66.4
292.20108	1.4
299.20245	0.9
302.30630	2.0
303.30975	2.7
307.19022	6.4
309.20602	4.5
313.21713	0.8
329.20892	0.7
345.20749	0.8
347.22131	5.6
363.21530	5.4
365.23257	25.4
381.22729	33.1
382.23148	1.4
391.26181	0.7
396.85236	0.6
409.27441	1.5
427.28708	1.1
458.57574	0.6
459.27704	0.6
483.05408	0.7
527.37402	0.8
529.31812	2.7
533.31073	1.4
543.33905	1.9
547.32556	1.1
551.32220	0.9
555.32825	0.9
557.34369	1.3
561.35229	1.3
565.34711	0.7
573.34473	1.4
579.37103	1.9
589.33447	1.0
597.38062	2.2
607.34778	1.1
635.39490	2.2
653.40515	8.3
671.41534	29.2
672.42310	1.6
689.42554	21.3
690.42566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.8
53.03941	13.1
55.01867	7.2
55.05515	35.6
57.03440	17.5
57.07071	4.4
61.02923	7.2
61.77522	1.5
65.03940	5.8
67.05507	82.5
69.03436	30.7
69.07070	28.4
69.24875	1.3
71.04990	11.1
71.08641	1.7
73.02917	5.9
75.89147	1.3
79.05495	72.3
81.02935	1.9
81.03421	74.2
81.07058	100.0
83.04987	18.4
83.08620	20.5
85.02908	13.6
85.06544	4.2
87.04488	2.0
91.03954	3.4
91.05485	71.1
93.07047	77.0
95.04982	15.6
95.07992	2.6
95.08607	53.9
97.02895	30.8
97.06531	12.6
97.10146	6.6
99.04468	8.8
99.08102	4.3
101.02393	2.6
103.03960	1.4
105.04488	1.8
105.07036	66.4
107.04957	8.7
107.08602	46.8
109.02877	11.2
109.06543	9.0
109.10159	18.3
111.04446	7.9
111.08088	7.0
115.03938	2.2
115.05492	5.0
116.06222	1.6
117.07017	31.5
119.08587	46.4
119.21844	1.4
121.06510	7.6
121.10146	31.8
123.04439	3.3
123.08095	5.3
123.11679	11.0
125.09621	4.0
127.03921	14.4
128.06235	6.3
129.05528	7.3
129.07016	26.9
130.07791	2.9
131.04956	3.1
131.08568	46.1
131.09526	2.8
133.06502	3.8
133.10139	36.3
135.08054	5.6
135.11691	21.1
136.38776	1.3
137.09660	4.8
137.13268	2.2
139.07608	1.5
141.06963	6.9
142.07808	4.5
143.08562	24.6
143.45872	1.4
145.06502	5.2
145.10129	33.6
147.08089	4.7
147.10526	2.0
147.11693	37.8
149.09651	6.3
149.13287	15.6
151.11209	2.6
154.07828	1.9
155.08563	13.6
156.09322	3.7
157.06561	2.2
157.10136	29.0
159.08070	4.1
159.11700	30.8
161.09636	4.1
161.13254	14.0
163.11194	4.0
163.14885	4.0
165.07031	1.7
165.12746	11.1
166.07825	2.7
167.08495	6.9
168.09331	3.0
169.10117	19.3
171.08076	2.9
171.11668	23.0
173.04489	7.6
173.05856	1.5
173.09633	3.2
173.13269	15.9
175.11227	3.9
175.14897	5.2
177.12689	6.8
179.08675	3.8
180.09402	2.2
181.10127	11.0
183.08168	1.8
183.11702	14.2
185.09666	4.0
185.13243	14.8
187.11208	3.3
187.14890	4.6
191.10709	1.6
193.10182	3.6
193.12270	5.8
195.11722	7.6
195.13808	5.4
197.09694	2.7
197.13258	13.4
199.14824	9.1
201.12820	2.9
201.16431	2.0
205.16010	1.6
207.11745	3.2
209.13327	5.7
211.11266	3.4
211.13306	4.1
211.14871	5.3
213.12851	3.4
213.14745	2.9
215.14449	1.7
221.13324	4.8
223.14912	3.8
225.12877	2.3
225.16512	2.5
229.14232	1.9
235.15060	2.2
237.12833	1.7
237.16528	1.9
239.18166	1.6
241.19571	6.2
243.21172	2.1
249.16537	2.3
253.15962	2.0
257.19104	3.8
259.20596	19.1
261.22141	7.0
267.15884	12.3
269.17300	13.3
271.20630	3.9
273.18750	1.6
273.22006	1.7
275.20276	3.3
277.21826	1.5
283.20673	2.3
285.17108	4.8
287.20334	2.4
295.20737	2.4
297.22208	1.9
299.20160	2.9
301.21686	4.7
313.21805	2.4
315.23376	3.3
323.23633	1.6
333.24396	16.8
335.25888	7.9
337.16711	1.5
337.21472	1.8
339.18091	2.7
339.23346	1.9
343.22620	2.2
345.24371	2.2
349.21680	4.5
351.23340	4.8
367.22675	7.8
369.24301	4.7
385.23709	3.3
387.25729	2.3
411.20197	5.2
413.21768	9.7
417.31540	3.6
435.32690	8.2
441.26483	4.1
443.27643	1.8
453.33783	3.4
459.27380	2.3
471.34451	1.8
477.28577	2.2
509.36032	7.6
525.35712	3.4
527.37329	85.3
528.37610	2.5
539.37231	2.4
543.37036	2.1
545.38379	6.4
555.36584	1.8
569.38446	5.3
581.38245	2.0
593.38501	2.2
611.39136	2.0
617.38782	2.2
623.39374	3.2
623.86749	1.6
635.39490	14.0
653.40607	15.1
671.41595	22.0
689.42554	57.5
690.42676	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	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
53.03952	7.3
55.01634	1.3
55.01878	18.8
55.05515	37.2
57.03448	10.6
57.07082	2.6
59.04997	1.8
65.03945	4.4
67.05508	55.8
69.03426	10.8
69.06730	2.1
69.07072	24.7
71.01350	1.4
71.04996	6.3
71.52591	1.5
73.02928	1.2
77.03917	1.4
79.05499	62.3
81.03425	28.2
81.07062	100.0
83.04987	20.4
83.08624	18.2
85.02915	9.9
85.06538	2.6
91.05486	49.4
93.07050	46.7
94.04178	1.1
95.04977	30.8
95.08611	26.2
95.09239	1.1
97.02888	10.1
97.06535	13.5
97.10178	24.8
99.00833	1.9
99.04469	6.1
99.08087	3.6
101.02355	1.2
103.05470	3.1
105.04517	2.0
105.07040	36.6
107.04969	13.8
107.08601	33.1
108.57787	1.0
109.02876	9.0
109.06531	15.6
109.10169	16.8
111.04444	18.6
111.08093	9.7
113.06010	1.6
115.05463	4.1
117.07021	17.5
119.04974	2.2
119.08592	30.3
121.02881	1.2
121.06525	15.2
121.10139	16.3
121.38158	1.0
123.04433	4.9
123.08076	23.5
123.11703	2.2
125.05981	2.8
125.09650	17.7
127.03930	4.8
128.06215	3.2
129.05492	1.6
129.07008	10.0
130.07761	1.4
131.04926	3.3
131.08585	16.3
133.06476	6.1
133.10143	20.5
135.04456	1.3
135.08072	13.0
135.11696	21.5
137.05997	2.1
137.09608	8.9
139.07541	2.2
141.06969	2.7
143.08572	10.7
145.06499	7.7
145.10133	21.8
146.07245	1.4
146.61488	1.0
147.04379	1.3
147.08049	12.4
147.11690	8.3
149.02333	2.0
149.09666	7.9
149.13289	1.5
151.07555	1.7
151.11180	3.9
153.09117	5.4
153.12761	7.9
155.08557	4.9
157.06456	1.6
157.10129	10.0
159.08073	6.4
159.11713	6.7
161.09628	12.5
161.13298	2.0
163.07527	4.0
163.11189	16.4
165.09140	5.1
165.12766	1.7
167.08607	2.1
169.10143	3.8
171.08066	2.4
171.10208	2.9
171.11696	4.7
173.04457	3.1
173.09651	7.3
173.11835	1.4
173.13310	1.9
175.11159	7.2
177.09055	1.4
177.12787	2.6
179.10675	3.7
181.10657	1.4
181.12219	9.8
183.11690	2.7
185.09639	2.6
185.13303	2.5
187.11235	4.7
187.12917	1.0
189.09377	2.3
189.11209	19.2
189.12733	2.1
191.10663	6.9
193.12234	11.8
195.11752	2.1
197.13301	1.4
199.11234	1.8
199.14862	1.4
201.12805	1.4
203.14322	1.9
205.12265	2.3
209.11685	1.7
213.12706	1.7
219.13815	1.6
220.49487	1.1
223.13232	7.4
227.12744	17.0
227.17928	1.6
245.19002	3.2
249.14833	1.4
253.14362	2.3
255.15926	4.6
255.17986	1.7
257.19019	1.3
271.16907	3.5
273.18509	28.6
275.20148	4.9
283.15436	5.3
289.17993	13.3
291.19568	59.5
292.19992	1.6
307.18958	4.7
309.20660	3.3
325.16885	1.1
327.19403	1.3
329.20981	1.7
347.22183	7.8
349.23599	1.9
353.21475	1.1
361.20395	1.3
361.24902	1.1
363.21619	3.9
365.23294	24.8
381.22934	21.6
399.21271	1.8
417.22598	1.7
493.14642	1.6
527.33215	8.1
533.31384	1.5
539.33875	1.3
543.34406	1.2
545.34583	5.3
551.31763	1.1
555.33362	1.3
557.34619	1.5
559.35693	1.2
573.34381	1.5
587.35248	1.2
611.36322	1.4
615.69781	1.2
635.38220	1.3
641.35742	1.8
653.40564	6.7
671.41626	21.3
689.40479	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	689.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75125	0.7
53.03935	2.3
55.01864	2.9
55.05510	7.0
57.03430	2.9
57.07088	1.0
61.02913	3.0
65.03937	1.2
67.03404	0.6
67.05186	0.9
67.05508	14.5
67.46124	0.6
68.05830	0.9
69.03436	3.8
69.07069	6.1
71.04988	1.5
71.52469	0.6
71.91187	0.6
73.02921	2.5
77.03913	0.6
79.05495	15.9
81.03431	5.6
81.07063	17.6
83.04987	4.6
83.08602	3.7
85.02907	3.4
85.06573	1.4
91.03954	2.6
91.05486	13.6
93.07045	12.3
95.04976	5.9
95.08617	7.8
97.02885	4.3
97.06541	2.9
97.10162	2.1
99.04459	2.1
99.08048	1.2
101.02383	1.2
105.07044	11.2
107.04950	3.8
107.08606	6.6
107.73796	0.8
109.02877	1.7
109.06535	4.7
109.10172	4.1
111.04388	1.4
111.08056	1.8
115.05439	1.0
117.07029	4.6
119.08586	8.0
121.06525	2.0
121.10117	3.9
123.04414	1.2
123.08092	2.3
125.09645	1.6
127.03938	1.3
128.06245	0.9
129.07039	4.3
131.08545	6.5
133.06471	1.2
133.10144	5.2
135.08051	2.9
135.11699	2.5
137.09619	1.4
143.08617	3.6
145.06497	0.7
145.10144	4.4
147.04463	0.9
147.08035	1.8
147.11676	6.2
149.09648	2.1
151.11214	1.0
153.09085	1.1
155.08528	0.8
157.10130	3.5
159.07993	1.6
159.11690	2.2
161.09622	2.7
161.13257	1.9
163.11205	2.5
171.11719	4.1
175.11217	0.7
177.12720	1.5
183.11700	1.5
189.11198	1.3
189.12753	0.9
193.12286	1.8
197.13289	0.8
207.13864	1.1
207.62085	0.7
227.12672	1.3
243.08403	2.0
247.13237	0.9
273.18497	3.4
275.20111	3.1
289.18069	1.9
291.19559	4.6
347.22156	1.2
349.23709	1.6
363.22125	0.9
365.23148	1.4
465.21005	13.2
527.36810	1.4
653.39679	1.2
671.40796	2.5
689.34882	100.0
690.35223	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	688.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01867	4.1
55.05512	18.2
57.03445	9.2
57.07077	1.5
61.02917	2.5
67.05511	41.7
69.03427	5.8
69.07070	10.1
70.06579	1.4
71.04995	4.9
71.53182	2.3
72.08163	1.3
73.06575	1.5
75.18803	1.3
77.03928	2.0
79.05500	49.8
81.03426	47.0
81.07064	38.1
83.04980	18.3
83.08627	15.6
84.08145	3.6
85.02912	13.5
85.06536	3.9
86.09698	2.7
91.05491	45.6
93.06487	2.8
93.07049	44.1
95.04981	24.8
95.08619	20.0
97.02901	4.3
97.06519	3.4
97.10164	5.6
99.08073	1.8
105.07039	32.7
107.04969	8.1
107.08600	16.2
109.06508	6.0
109.10162	4.4
111.04436	2.0
111.08092	7.4
115.05489	2.1
117.07041	8.2
118.27880	1.4
119.07815	2.5
119.08598	28.2
121.06490	3.1
121.10175	8.6
121.10921	1.5
123.08073	4.8
127.03949	2.0
127.07597	2.9
129.07010	17.7
129.12718	1.5
131.08572	8.2
133.06462	1.7
133.10144	10.0
135.08057	2.1
135.11748	2.3
137.09645	2.0
142.07796	2.5
143.08545	6.5
145.10156	8.2
147.07994	3.9
147.11697	28.9
149.02281	1.7
149.09605	5.4
157.10168	10.2
159.11678	2.2
161.09613	3.2
161.13228	4.8
163.11163	2.4
165.12825	2.1
171.11710	14.6
175.11230	7.8
189.12741	4.2
193.12242	29.0
207.13797	18.0
211.13284	32.3
267.15945	26.9
281.17502	61.4
285.16940	19.1
289.17764	1.5
429.21179	1.5
473.29037	100.0
474.29150	1.9
491.30087	82.4
526.52875	1.6
688.01245	1.6
688.41241	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	689.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02203	1.2
67.80946	1.1
71.50847	1.9
78.95634	1.4
84.93929	1.3
94.93022	15.7
96.92812	1.8
110.22937	1.5
112.89621	8.6
114.89341	3.6
124.15454	1.2
126.97256	1.3
169.88281	1.4
172.92340	1.4
173.96353	1.4
188.89711	5.6
196.86748	6.3
203.05354	4.8
204.87045	11.1
212.84099	25.8
214.84055	3.6
219.02663	2.1
240.83867	1.6
294.81113	2.8
305.08496	1.9
338.83051	2.5
346.72992	1.6
346.80023	10.8
347.09546	4.2
348.78687	4.0
365.10602	25.0
377.82318	1.9
381.08109	4.0
467.13925	5.3
509.14938	2.1
527.15857	89.1
674.09662	1.7
689.21191	100.0
690.21631	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	687.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
51.94226	0.9
52.42998	1.1
53.03945	7.9
55.01877	8.6
55.05512	21.7
57.03432	5.1
57.07066	2.1
65.03941	4.7
67.05506	43.0
69.03085	1.6
69.03430	20.6
69.07067	12.6
71.01340	1.9
71.05000	5.8
71.08189	1.0
71.08626	0.9
71.53541	1.3
74.09706	3.2
79.05494	52.0
81.03420	53.0
81.07059	39.5
83.01324	2.5
83.04984	14.2
83.08627	9.9
83.58427	1.1
85.02914	4.5
85.06543	3.6
86.09679	1.4
91.05482	31.8
93.07046	49.9
95.04987	11.0
95.08607	32.2
97.02898	13.0
97.06537	8.1
97.10178	6.4
99.04472	6.8
99.08072	1.7
103.05449	1.7
105.04530	1.8
105.07037	27.7
107.04949	9.3
107.08598	28.4
107.52118	1.0
109.02878	10.8
109.06534	5.9
109.10155	12.3
109.98173	0.8
111.04459	10.5
111.08087	4.2
111.17212	1.2
115.05459	1.6
117.07014	13.2
119.08582	18.1
121.06503	5.0
121.10150	19.3
123.04454	1.9
123.08083	3.7
123.11755	2.4
125.05977	1.3
125.09657	4.2
127.03919	9.7
128.06256	1.6
129.05493	1.1
129.07005	6.2
130.07779	1.4
131.04979	1.8
131.08591	15.3
133.06514	2.0
133.10133	12.0
135.04416	1.0
135.08073	3.9
135.11687	18.9
137.09666	2.7
141.07033	1.5
143.08571	5.3
145.06558	2.5
145.10112	18.6
147.08092	2.5
147.11711	7.4
149.05984	1.0
149.09639	3.1
149.13274	4.0
153.09142	1.6
153.12782	8.1
155.08614	3.8
157.10141	3.9
159.08078	2.0
159.11678	6.9
161.09653	2.6
161.13278	2.9
163.11189	16.5
163.14792	1.5
165.12868	1.3
167.08601	1.8
169.10197	3.1
171.08154	1.4
171.11732	3.0
173.04489	2.5
173.09636	4.7
173.13310	4.4
175.14761	1.9
177.12769	1.1
179.08566	1.1
181.10110	2.0
181.12187	6.1
183.08040	1.3
183.11752	1.4
184.07448	3.4
185.09593	1.5
185.13274	2.3
187.11163	1.1
187.14796	2.2
189.09283	1.4
189.11221	2.8
189.12747	1.0
191.10666	6.8
193.12259	1.4
195.11757	2.5
197.13206	2.0
199.14905	1.4
200.13206	1.0
203.14142	1.2
205.12132	1.3
209.11674	6.0
211.11278	1.2
227.12758	12.6
259.20844	1.4
261.22229	3.4
265.14343	1.3
267.16248	1.2
273.18665	1.1
275.19934	1.8
283.15469	4.6
289.17917	1.6
301.21707	2.4
317.24429	1.5
319.22830	1.3
335.25900	3.4
351.23251	2.0
353.16000	11.9
369.24390	5.3
387.25418	2.8
405.26422	1.1
409.19040	1.9
443.27859	1.2
459.27832	1.5
515.37653	1.9
525.36066	1.9
542.52039	1.1
543.36902	3.4
613.37415	1.3
623.43274	2.8
633.37970	1.2
651.38788	2.1
669.39758	6.2
687.41028	100.0
688.41669	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	686.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.6
55.65532	0.4
56.00962	0.3
57.07076	33.8
59.04992	0.8
67.05498	0.7
69.07062	4.4
71.08632	32.3
73.02922	0.9
73.06555	9.6
74.09708	0.3
79.05489	0.5
81.07059	1.1
83.08620	5.4
85.09658	0.8
85.10181	18.8
87.04464	9.2
89.06030	100.0
90.06326	0.5
91.07599	1.2
95.08591	1.1
97.10162	7.1
98.21532	0.8
99.11726	2.6
107.07072	2.0
111.11733	3.5
112.91302	0.4
113.13290	0.9
114.09166	0.6
117.09132	7.9
125.13257	2.3
127.14837	1.3
130.08636	4.5
131.07048	3.1
133.08603	55.5
134.08929	0.5
135.10153	1.1
137.59622	0.3
139.14824	0.6
141.16377	1.4
153.16386	0.4
155.17912	1.4
161.11696	2.7
167.21384	0.4
169.19589	0.4
175.09714	1.7
177.11223	24.7
179.14250	0.4
184.07349	0.5
211.24261	2.2
216.80698	0.4
219.12308	0.4
221.13844	6.1
223.15417	0.6
229.03825	0.4
239.14836	1.3
255.26845	2.7
265.16528	2.1
283.17447	2.0
299.29443	8.7
309.18954	1.9
327.20013	1.5
332.26715	0.6
343.32047	6.2
353.21509	1.1
371.22562	0.9
376.72501	0.4
397.24283	0.5
415.25433	0.9
449.38370	0.5
459.28046	3.6
493.40750	0.5
625.48474	0.8
669.51489	8.5
686.54260	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	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67705	0.5
53.03949	1.7
55.01887	0.9
55.05269	1.1
55.05515	12.2
57.03437	13.4
57.07080	1.8
59.05014	3.2
61.02926	5.3
65.03942	2.6
67.05508	100.0
69.03428	1.4
69.07069	9.5
71.05000	4.7
71.08640	1.1
73.02926	1.7
74.09721	21.1
79.05496	21.7
81.07058	39.3
83.04975	1.0
83.08625	9.2
85.02903	5.6
85.06553	3.8
86.09718	0.8
91.03959	2.5
91.05482	16.2
91.06023	1.1
93.07050	29.0
95.05002	2.1
95.08611	29.6
97.02898	2.4
97.06513	1.8
97.10192	3.1
99.08125	1.2
103.75494	0.6
105.07034	9.7
107.08595	15.7
109.06524	1.2
109.10160	78.5
111.08095	4.6
117.07027	3.5
117.64325	0.6
119.08587	11.3
119.09370	0.9
119.50402	0.6
121.10154	12.1
123.08128	0.7
123.11737	3.3
125.09629	1.8
127.03907	1.3
131.08553	6.2
133.10124	6.1
135.11696	8.2
137.09636	4.5
137.13300	1.6
145.10107	5.4
147.11723	4.1
149.13246	4.8
153.12772	0.8
155.10669	6.9
157.10123	1.1
159.10532	0.8
159.11693	4.9
161.13287	2.2
163.14825	3.1
169.10107	0.7
173.11755	19.2
173.13269	3.6
175.14873	1.3
179.14207	0.7
184.07381	2.2
187.14801	2.4
189.11192	0.7
215.17880	0.6
227.12802	4.0
229.14354	98.3
230.14809	0.9
233.22717	1.0
243.21104	6.0
251.16037	0.6
259.20636	0.8
261.22147	19.6
317.24670	3.3
335.25806	88.5
336.26245	1.3
379.29727	0.8
397.31064	1.2
415.32053	1.5
422.22134	0.7
471.34564	0.9
489.35770	71.1
490.35812	1.9
507.36987	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	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01869	1.2
55.05515	11.0
57.03442	12.0
57.07081	1.6
59.04992	3.8
61.02922	4.3
62.20515	0.8
65.03929	3.1
67.05508	97.8
68.05844	0.9
69.03432	2.2
69.07076	7.2
69.36377	0.8
71.04978	2.6
71.08628	1.3
73.02923	1.4
74.09724	21.8
78.88873	0.8
79.05493	17.8
81.03432	1.0
81.06594	1.8
81.07059	37.3
83.08633	8.8
85.02913	3.6
85.06545	1.6
86.09697	1.0
90.75817	0.9
91.03933	2.2
91.05489	15.2
93.07050	24.7
95.04953	1.7
95.08612	27.6
97.02892	1.9
97.06519	1.6
97.10177	2.4
98.21588	1.3
99.08093	1.2
105.07027	6.8
107.08602	14.8
109.06523	1.7
109.10162	82.8
110.10539	1.0
111.08081	4.5
117.07024	2.6
119.08582	13.7
121.10141	12.2
123.08082	1.0
123.11732	2.8
125.09638	2.0
131.08562	4.6
133.10118	5.0
135.11726	6.9
137.09647	4.4
145.10106	4.1
147.11693	3.2
149.13266	5.1
155.10660	8.0
159.11656	4.3
161.13284	2.4
163.14815	3.2
173.11766	20.8
173.13269	2.3
175.14850	1.7
184.07381	2.5
187.14764	1.4
188.99997	0.8
215.69611	1.1
227.12782	4.9
229.14368	100.0
243.21048	5.3
261.22150	13.7
317.24774	2.6
335.25824	71.3
336.26025	1.8
455.88876	0.9
471.34518	1.5
489.35782	46.2
490.36627	1.3
507.36646	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	686.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88474	0.5
53.03934	0.7
55.01841	0.8
55.05511	9.6
57.03434	0.5
57.07080	14.5
63.24509	0.4
67.05480	1.9
69.07042	1.3
70.96060	1.1
71.04986	2.6
71.08593	0.6
74.40483	0.4
77.03925	0.5
79.05464	1.1
81.03388	0.8
81.07023	1.7
83.04985	50.9
91.05485	4.2
93.07028	1.1
95.04959	0.5
95.08564	1.0
98.98478	2.8
105.07014	2.1
107.08546	0.8
109.06482	1.1
109.10131	0.8
113.00014	1.3
115.05460	0.6
119.08583	2.0
121.10114	0.6
123.08023	0.7
128.06247	2.2
129.07034	6.5
133.10086	0.7
135.07990	0.9
135.11615	0.6
141.06949	1.3
147.08063	4.0
147.11691	11.2
149.99582	0.5
151.01526	1.7
157.07579	1.2
159.08087	0.5
161.13278	1.3
169.07639	0.7
175.01544	6.2
179.14282	1.3
181.02611	65.2
184.07333	1.5
185.13286	0.5
187.01622	0.7
189.03125	25.7
199.03664	1.8
222.05251	1.8
225.32278	0.5
227.04703	11.5
239.04698	2.4
241.06216	3.4
245.09419	3.7
253.05997	0.5
257.05777	2.7
283.10910	5.5
295.11081	0.6
297.12656	0.5
313.12003	21.9
316.85629	0.5
331.26364	1.6
332.26767	0.9
369.18277	21.9
370.18726	0.6
383.20026	0.7
501.14371	0.7
516.77972	0.5
557.20935	3.4
613.26923	22.3
669.33167	100.0
670.33514	2.1
680.77655	0.7
685.53986	0.7
686.43854	1.1
686.55035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.01855	1.6
55.05514	8.4
57.03440	4.2
61.28214	0.7
62.47006	0.7
62.53720	0.7
65.03947	1.7
66.52110	0.8
67.05508	24.9
69.03413	1.1
69.07074	6.5
70.12737	2.6
71.04993	1.3
73.06565	1.4
73.14845	0.8
78.04723	0.8
79.05496	40.3
81.03420	4.0
81.07059	20.7
83.04967	6.0
83.08616	3.4
85.06528	1.9
89.95638	0.7
91.05486	27.6
93.07047	37.4
95.04974	11.0
95.08614	11.2
97.06523	2.2
97.10143	2.0
98.20831	1.0
103.05456	1.0
105.04514	1.8
105.07036	21.6
106.67546	0.8
107.04945	2.5
107.08614	8.4
109.06519	3.1
109.10155	3.1
110.13696	0.7
111.00716	0.7
112.37575	0.8
115.05469	1.1
117.07008	4.0
119.08591	13.8
121.06503	3.1
121.10139	1.8
121.88390	0.8
123.08057	3.9
127.07541	1.3
128.06218	1.4
129.07014	12.7
131.08537	1.8
133.10138	6.8
133.81912	0.7
135.11708	1.0
143.08522	5.0
145.10133	5.8
147.08028	2.0
147.11691	20.1
159.11784	0.9
161.09637	1.9
161.13232	7.3
163.11166	1.2
171.11679	13.3
179.14337	1.1
189.12769	8.8
207.13809	20.3
225.14864	2.5
227.47151	0.8
263.16403	1.7
281.17480	52.0
410.83066	0.8
448.37637	0.8
462.45081	1.0
469.29654	2.1
487.30585	100.0
488.31039	3.3
529.31403	0.8
684.41327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01869	1.4
55.05502	2.8
57.03430	1.3
57.07074	1.7
59.05001	1.4
59.40160	0.8
65.03922	0.7
67.05511	7.3
69.03430	3.2
69.07061	4.0
70.06578	0.9
70.64664	1.1
70.65009	1.5
71.04980	1.4
73.57796	0.7
79.05490	7.5
81.03418	2.3
81.07056	9.7
83.04998	3.5
83.08611	2.4
84.08151	1.3
85.02904	1.3
85.06533	2.7
86.09700	1.2
87.04443	2.5
91.05486	8.8
93.07052	10.9
95.04962	7.8
95.08596	6.4
97.02908	0.7
97.06525	2.8
97.10165	0.9
99.04462	0.9
105.07037	13.7
107.04965	1.0
107.08595	9.0
109.06519	6.0
109.10159	8.0
111.04456	1.3
111.08076	2.1
117.07027	2.7
119.04876	0.9
119.08586	10.2
121.06506	3.2
121.10153	7.7
122.07256	0.9
123.04428	0.8
123.08071	5.6
125.05984	2.8
125.09629	2.3
128.06194	1.7
129.07010	2.6
130.07764	1.2
131.08588	6.1
133.06465	2.4
133.10146	6.6
135.08057	7.2
135.11713	3.3
137.05984	1.2
137.09595	4.5
139.07582	2.0
139.11177	1.1
141.06949	0.8
142.07753	2.3
143.08585	5.5
144.09341	1.5
145.06509	0.8
145.10127	9.8
147.08054	6.4
147.11668	1.2
148.08788	0.8
149.09630	4.2
151.07527	5.8
153.06949	0.8
154.07793	1.1
155.08572	3.3
155.10675	2.7
156.09341	1.9
157.10126	6.9
158.07280	0.7
159.08061	2.6
159.11708	5.5
159.14999	0.6
161.09641	3.4
161.13298	1.4
163.11172	5.2
165.07018	0.8
165.09106	8.4
167.08543	0.9
167.10675	1.4
168.09311	0.9
169.10150	5.5
170.10867	1.2
171.08105	0.8
171.11682	4.3
172.08774	0.9
172.12364	0.8
173.09586	2.8
173.13240	3.4
175.11200	4.5
175.12578	0.7
177.09138	1.8
177.12720	0.9
178.09869	1.6
181.10179	2.8
181.12138	3.4
182.10953	1.8
183.11682	5.7
185.09720	2.0
185.13243	2.4
187.11240	2.8
189.11282	0.8
189.12671	3.6
190.13524	2.6
191.10698	1.6
191.14494	0.8
192.09351	0.9
193.10258	1.4
193.12215	1.2
195.11717	4.4
196.12476	0.9
197.09676	1.2
197.13242	4.0
199.11165	5.0
199.14908	0.9
201.12766	2.2
203.14313	3.7
205.12241	0.7
206.10881	0.8
207.11670	2.6
207.13831	4.8
208.14632	2.7
209.13297	2.6
210.14026	0.9
211.11215	1.7
211.14850	1.1
213.12781	3.2
215.14360	1.3
216.15166	1.0
219.11758	1.1
219.13805	2.3
220.12428	1.0
221.13380	1.5
221.15341	11.1
223.15038	1.1
225.12801	3.3
225.16457	1.0
227.14410	1.1
229.12187	1.8
229.14168	1.0
234.16162	3.4
235.14861	1.2
237.12540	0.8
239.14290	1.2
241.12117	0.8
243.13823	1.5
245.13707	0.9
247.16986	1.9
251.14478	0.8
251.17848	0.8
253.15941	1.4
261.16455	1.0
263.14429	1.0
269.15561	0.9
271.17010	0.8
273.18536	1.6
283.16904	1.1
285.18558	1.6
286.19379	2.9
287.20047	1.4
291.19699	1.9
298.19321	1.8
299.20029	1.2
300.20776	1.2
313.21686	2.4
328.20691	0.9
329.21182	2.3
359.22162	3.6
372.77734	0.8
373.18317	1.0
378.25516	1.2
407.25900	3.9
408.26663	11.4
451.28458	100.0
452.29163	1.5
467.27789	1.2
519.32813	1.6
635.39374	1.6
663.37860	1.3
681.40338	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	681.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13256	1.4
52.34643	1.4
53.03945	7.1
55.01875	13.8
55.05271	2.6
55.05514	40.9
57.02324	1.7
57.03441	14.5
57.07077	2.7
59.05000	5.8
61.02914	2.1
62.51123	1.6
65.03942	5.8
67.05508	100.0
69.03433	29.3
69.07068	19.1
70.06597	3.6
71.01328	1.9
71.04996	13.8
71.53409	2.4
75.04497	3.1
79.05495	43.4
81.02940	2.0
81.03419	49.2
81.07058	76.5
83.04991	30.1
83.08626	22.0
85.02899	15.8
85.06566	7.8
86.09712	3.1
87.04461	3.4
87.64810	1.7
91.05485	34.0
93.07047	35.5
95.04971	26.9
95.08612	26.7
97.02897	17.6
97.06552	10.2
97.10174	25.0
99.04452	23.6
99.08080	2.2
100.04787	2.4
103.05481	4.7
105.07037	28.9
107.04966	12.1
107.08595	32.6
107.55084	1.6
108.08943	3.5
109.02872	15.0
109.06527	19.2
109.10161	82.5
111.04443	24.8
111.08104	10.4
113.05985	2.2
117.07003	13.4
117.12590	1.5
119.04976	2.6
119.08583	33.8
121.06512	12.0
121.10151	20.2
122.10490	3.3
123.04422	2.2
123.08069	44.0
123.11648	3.0
124.08389	5.7
125.05972	6.6
125.08750	2.6
125.09628	25.0
126.50845	1.5
127.03931	12.2
128.06219	3.5
129.05476	6.4
129.07016	6.8
129.10207	2.0
131.08562	20.0
133.06483	7.1
133.10144	12.6
135.08070	11.7
135.11707	12.9
137.06015	4.3
137.09604	15.8
139.07567	1.6
139.11217	3.1
141.07025	4.0
143.08557	11.1
145.06483	3.4
145.10132	19.4
147.08037	11.5
147.11696	6.7
149.09618	17.5
150.09958	4.6
151.07561	4.3
151.11171	1.7
153.09158	4.0
153.12773	8.9
155.08511	3.9
155.10680	6.6
157.10130	6.6
159.08069	5.5
159.11696	6.3
161.06018	2.4
161.09634	10.2
161.13310	2.6
163.11185	21.7
165.09145	9.6
165.12808	5.2
167.08641	2.0
167.10721	8.9
168.11003	3.2
169.10109	3.2
171.10242	3.3
171.11710	4.9
173.04512	2.1
173.09659	5.3
173.11775	17.5
173.13217	2.7
175.11240	6.4
177.12840	2.7
179.10597	2.3
181.10120	2.3
181.12233	10.6
183.11722	2.7
183.13841	3.7
185.09634	3.2
185.13196	2.7
187.11218	3.4
189.11221	20.1
189.12735	3.0
190.13588	2.0
191.10680	6.9
193.10411	2.3
193.12262	6.0
195.11717	2.1
197.09630	1.9
199.11278	3.1
201.09088	1.9
201.12714	3.3
203.10751	2.0
205.12302	3.0
207.13821	6.7
209.11668	3.3
211.13152	3.2
213.12848	1.8
221.15431	3.4
223.13235	4.4
225.14828	18.1
226.15230	17.0
227.12737	20.2
227.15117	3.0
227.17873	2.1
229.12152	4.1
229.14352	37.9
231.13887	2.1
233.15291	2.1
234.16016	2.2
235.13263	2.3
239.16299	2.3
240.16699	2.1
245.13876	2.9
245.19055	4.6
249.14821	3.2
255.17482	3.7
273.18475	39.2
275.20108	2.1
278.72485	1.7
283.15436	4.5
291.19547	87.2
299.14865	8.2
301.66772	1.7
309.20596	7.0
315.19638	2.7
329.21335	2.1
347.22318	9.5
355.17480	10.4
365.23285	32.5
373.18600	31.2
375.21552	2.5
381.20779	4.9
399.21906	2.4
407.25516	5.0
417.22784	3.6
423.28635	3.4
449.25555	2.0
451.28491	14.2
473.25562	3.4
501.31955	6.4
519.33124	35.7
537.33954	5.6
571.32855	1.9
585.33881	2.4
603.34747	3.1
609.34448	2.4
615.35284	2.1
627.35132	6.9
642.51874	1.9
645.36237	13.8
663.37299	37.5
681.38141	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	679.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.35478	0.4
55.05511	7.1
57.03423	1.1
57.07064	1.8
59.04987	1.7
61.02940	0.6
65.03939	0.9
65.74586	0.4
67.05181	0.5
67.05508	4.9
69.03419	1.9
69.07054	1.7
69.19418	0.4
69.21352	1.7
69.21776	2.6
69.71796	0.4
71.04994	15.8
75.04483	6.4
79.05071	0.6
79.05496	6.9
81.03404	1.8
81.07055	9.1
83.04984	4.4
83.08620	6.2
84.08181	0.5
85.02885	1.8
85.06550	8.4
86.09693	1.1
87.04449	1.3
91.05477	5.9
93.07044	6.4
95.04974	5.1
95.08611	7.3
97.02917	0.7
97.06532	2.6
97.10162	1.0
99.04458	56.0
99.08076	1.4
101.06008	0.7
105.06409	0.4
105.07034	10.0
107.04967	0.7
107.08598	38.3
109.06516	21.9
109.10156	3.6
111.04416	1.0
111.08073	2.1
113.06020	1.1
113.09662	3.6
115.07578	0.7
116.06300	0.6
117.07019	1.6
119.08583	8.5
121.06494	1.3
121.10151	21.1
123.08070	54.4
123.11699	10.4
125.05999	2.6
125.09631	12.7
127.07529	1.0
129.06981	1.6
131.08545	4.8
133.10158	3.4
135.08064	3.0
135.11670	1.1
137.09628	3.8
137.13260	1.4
139.11230	3.1
141.06956	0.8
141.12750	1.1
142.07788	0.9
143.08560	1.8
145.10167	3.0
147.08028	2.3
147.11690	6.4
149.09621	24.5
151.07542	4.4
155.08586	0.5
155.10640	0.8
156.09341	1.4
157.10091	1.9
159.07976	0.6
159.11687	1.8
161.09621	2.1
161.13257	3.6
163.11183	4.6
165.09097	3.5
165.12766	12.7
166.07782	0.5
167.10683	28.4
169.10057	0.7
170.10910	0.6
171.11755	2.4
173.09607	1.3
175.11197	1.1
177.09088	0.7
177.12781	0.5
179.08649	0.5
179.10675	0.6
179.14288	4.7
181.10153	1.0
181.12196	3.1
183.12000	0.6
183.13812	17.9
184.07332	1.4
185.09624	0.7
187.11177	0.8
189.12741	7.6
191.10680	0.7
191.14319	0.9
193.12280	1.3
195.11665	0.6
199.11136	0.8
201.12796	0.8
203.14265	1.0
205.12132	0.5
207.13794	16.5
207.15767	0.9
211.11148	0.6
213.12868	0.5
215.14211	0.5
219.13754	0.6
221.13380	0.8
221.15363	6.6
223.11137	0.5
223.13235	0.8
225.14854	100.0
232.12494	0.7
233.15321	0.9
239.14014	1.0
239.16423	19.2
239.74942	0.5
241.12251	0.5
247.16982	0.8
251.16415	0.7
254.54878	0.5
264.17209	0.8
273.18436	0.5
330.21997	0.6
343.22678	1.0
396.26480	1.8
407.25754	0.9
422.28159	14.9
423.28769	1.9
449.26941	4.1
522.51019	0.5
661.36945	0.7
679.43719	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	678.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.2
56.01379	0.8
56.05040	2.8
60.04531	1.7
60.77229	0.6
65.04796	0.6
66.10548	0.5
70.02959	35.9
71.06115	1.4
71.51063	0.8
72.04504	1.4
74.00682	1.5
74.02435	3.8
76.04006	9.0
76.62020	0.6
80.05021	0.8
82.06593	0.6
83.06115	2.8
84.04511	10.3
85.02908	1.0
85.04037	0.9
88.04002	3.2
95.81100	0.5
96.04539	0.8
98.57150	0.6
99.05591	8.9
103.05067	1.3
107.06071	1.8
108.04466	0.8
109.07655	2.1
110.06033	1.1
112.03958	3.1
116.03459	5.1
117.06605	1.6
121.01110	2.6
124.03898	0.8
125.07143	1.6
125.43814	0.6
127.05042	2.2
129.06607	4.1
130.05009	14.1
133.02794	0.8
135.02676	1.6
135.05554	1.5
136.03960	1.2
137.00575	1.5
137.07109	1.5
137.09731	0.6
145.06093	100.0
146.04492	1.3
146.06339	0.6
147.02641	0.7
147.04422	3.5
149.00557	7.7
153.06621	5.1
154.05043	0.9
155.08160	2.8
160.00639	8.1
161.00575	1.8
163.02136	5.1
163.03847	1.6
165.00052	4.9
167.01656	1.7
169.06020	0.6
171.07649	1.1
173.00636	1.1
175.02219	0.9
177.00160	0.8
177.03342	1.2
179.01628	30.8
181.06116	2.7
186.03143	0.7
187.05356	1.5
189.00005	3.7
190.03275	0.7
191.01631	3.8
192.99562	20.6
193.03166	4.7
193.06151	1.1
194.02719	10.8
195.01132	35.6
199.07156	8.5
200.82719	0.6
201.00032	1.0
207.01132	17.8
208.04317	5.1
209.02711	1.7
211.07156	9.5
214.62364	0.7
218.02623	0.7
219.01132	18.2
231.04254	0.6
236.03786	7.8
237.02234	1.7
247.00661	0.9
257.07837	1.1
264.03275	28.8
274.10309	4.3
297.05505	2.8
322.03821	14.6
339.06403	2.2
340.04904	1.2
347.07144	0.7
365.08151	1.1
393.07556	5.3
411.03796	1.3
411.08661	1.1
428.06229	1.4
446.07553	15.4
446.13095	0.5
468.10684	2.0
514.06525	1.3
522.26074	0.6
531.09222	8.3
549.10260	37.7
550.09949	0.9
585.09961	2.5
603.11310	14.2
660.13403	2.5
660.24121	0.7
661.11426	1.4
678.14520	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	678.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41082	0.3
52.86386	0.3
55.01870	2.3
56.01407	0.6
56.05034	1.6
60.04515	1.6
70.02959	27.0
70.75877	0.7
71.06112	0.8
72.04510	1.0
74.00680	0.4
74.02446	3.9
76.04009	7.8
82.06567	1.9
83.06113	2.6
84.04510	7.2
85.04032	0.4
86.02384	0.3
88.03994	3.0
94.62498	0.3
96.04509	1.2
99.04962	0.6
99.05592	8.2
100.03990	0.7
102.05544	0.6
103.05064	1.3
106.67961	0.3
107.06077	1.3
108.04478	0.9
109.07649	1.8
110.06058	1.6
112.03960	1.5
116.03464	3.9
117.06632	1.3
121.01110	1.6
124.03955	1.0
125.07120	1.6
126.05529	0.7
127.05047	1.8
128.03439	0.5
129.06613	2.7
130.05017	5.1
131.04990	0.4
135.05536	1.0
136.03966	1.0
137.00542	0.4
137.07112	1.9
141.04869	0.4
142.04979	0.3
145.06093	100.0
146.06470	0.4
147.04482	0.4
149.00565	4.9
153.06598	6.4
155.08173	3.7
156.06520	0.5
160.00661	2.9
161.00569	0.6
163.02158	1.3
163.03886	0.6
165.00073	2.1
165.06610	1.0
167.01680	0.6
169.06085	1.5
171.07675	0.9
175.03891	0.5
179.01634	13.8
181.06050	1.6
183.07724	1.0
187.05391	0.8
189.00069	2.0
190.03384	0.4
191.01617	1.9
192.99571	4.3
193.03270	1.9
193.06061	0.9
194.02716	6.4
195.01131	23.4
199.07162	8.5
200.08055	0.4
201.00078	1.0
203.03401	0.4
207.01126	8.9
208.04274	2.4
209.05661	0.4
211.07147	11.7
218.02736	0.9
219.01102	5.6
220.04190	0.5
231.04420	0.8
236.03755	6.0
237.02155	0.7
254.04836	0.5
256.09311	1.0
257.07660	0.7
262.05612	0.5
264.03278	28.7
274.10373	5.8
280.02914	0.4
297.05286	2.0
321.05417	0.4
322.03867	2.8
339.06488	3.1
347.07123	0.8
348.05396	0.6
365.08090	1.5
387.04068	0.5
393.07535	10.1
405.07465	1.3
411.03894	0.5
411.08414	0.7
417.13715	0.3
423.08807	1.2
428.06668	0.9
446.07663	3.4
468.10800	4.0
479.81912	0.4
486.11642	0.8
514.06415	0.4
531.09180	3.9
549.10352	5.6
585.10455	2.4
603.11365	9.0
642.12970	0.4
660.13190	2.5
678.14508	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	678.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.0
56.01417	0.5
56.05034	1.8
56.94914	0.4
60.04522	1.3
70.02962	27.2
71.06129	0.7
71.51043	0.4
71.51424	0.6
72.04517	1.3
74.00656	0.6
74.02447	3.5
76.04011	7.8
80.05042	0.8
82.05315	0.6
82.06594	1.6
83.06119	2.1
84.04049	0.7
84.04517	9.0
88.04018	2.7
90.94865	0.5
96.04513	0.7
99.05592	7.4
100.03983	0.9
101.02377	0.6
102.05549	0.5
103.05073	1.4
107.06102	1.2
108.04456	1.0
109.07656	2.5
110.06044	1.7
112.03950	1.3
116.03465	3.2
117.06609	1.6
121.01093	1.4
122.63670	0.4
124.03923	0.6
125.07121	1.9
126.05579	0.7
127.05062	2.0
127.95599	0.5
129.06630	2.6
130.05023	7.0
135.04538	0.5
135.05539	0.7
136.03992	0.9
136.16374	0.4
137.00565	0.5
137.07101	2.0
144.95903	0.4
145.06099	100.0
146.06425	0.5
147.04425	1.0
149.00566	5.7
153.06606	6.6
155.08203	2.9
160.00664	2.5
160.05066	0.4
161.00600	0.9
163.02173	1.9
163.03918	2.1
165.00113	2.1
165.06630	0.9
167.01657	1.2
169.06097	1.8
171.07695	0.7
173.00568	0.6
179.01631	13.4
181.06104	2.5
183.07645	1.1
187.05484	0.7
189.00037	1.8
190.03198	0.6
191.01610	2.0
192.99530	4.3
193.03177	2.5
193.06113	0.7
194.02744	6.8
194.99336	1.1
195.01135	22.2
199.07172	9.4
200.07890	0.5
201.00093	0.9
207.01135	9.2
207.03041	0.6
208.04308	3.7
209.02782	0.5
209.05452	0.7
211.07167	12.5
218.02852	0.6
219.01149	6.0
231.04355	1.1
234.98956	0.5
236.03760	6.3
237.02266	1.0
256.09402	0.5
257.07779	0.7
264.03290	28.9
274.10410	5.7
297.05389	2.0
306.04016	0.7
307.07980	0.5
322.03683	2.3
339.06525	2.9
347.07095	1.5
365.08145	1.9
375.06815	0.5
393.07584	9.4
395.31128	0.5
405.07541	2.0
411.03809	0.6
411.08841	1.0
412.56714	0.5
423.08511	1.2
428.06592	1.2
446.07553	3.9
468.10736	5.2
531.09369	5.6
549.10205	6.8
585.10284	2.3
603.11194	6.4
660.13678	3.4
678.14600	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	677.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01632	1.1
55.01872	12.3
55.05513	57.3
57.03444	8.6
57.07071	2.6
59.04992	2.6
61.88794	1.0
65.03928	3.5
67.05507	57.6
69.03419	4.7
69.07069	28.8
71.04984	7.0
71.08595	1.2
71.52464	1.7
75.04483	2.2
77.64965	1.1
78.04702	1.2
79.05493	58.0
81.03409	9.1
81.07058	63.5
83.04985	17.5
83.08620	43.7
83.09130	2.0
85.02894	4.1
85.06529	5.2
91.05482	55.4
93.07045	54.6
94.07355	1.4
95.04970	66.1
95.08610	41.9
95.09070	0.7
97.02882	2.8
97.06535	13.7
97.10175	14.8
99.04457	5.9
99.08092	3.6
101.06011	1.7
103.05511	1.3
105.04507	2.4
105.07034	58.0
107.04956	18.8
107.08597	44.0
109.02859	1.2
109.06515	12.5
109.10159	26.0
109.59015	1.0
109.85041	1.0
111.04451	14.0
111.08074	12.1
113.05943	1.3
115.05450	1.8
116.06232	1.8
117.07030	19.5
119.08585	43.3
121.06506	12.4
121.09326	2.3
121.10144	24.4
123.04411	1.4
123.08078	12.6
123.11708	5.4
125.05983	3.1
125.09624	15.1
127.07555	1.3
128.06178	2.2
129.07001	9.0
130.07784	2.0
131.08569	27.8
133.06479	4.2
133.10130	30.3
135.08072	8.3
135.11693	18.5
137.09634	7.3
139.11186	3.2
140.15674	1.0
141.06972	3.2
141.09143	1.2
142.07782	2.3
143.08565	9.1
145.06459	1.9
145.10127	35.1
146.10480	1.2
147.08089	9.8
147.11697	20.2
149.09627	33.3
149.13257	4.7
151.07576	1.5
151.11166	5.8
153.09082	2.2
153.12738	2.7
155.08537	3.7
155.10568	1.4
156.09258	1.4
157.10130	9.8
159.08032	3.0
159.11687	18.8
161.09575	6.9
161.13252	8.9
163.11180	38.9
163.14836	1.9
165.09152	3.6
165.12749	6.6
167.10643	1.7
169.10170	5.7
170.11087	1.1
171.11644	7.5
173.09627	4.6
173.13237	9.4
175.11200	5.0
175.14821	3.0
177.12746	6.1
179.10684	1.2
181.10077	2.3
181.12178	6.4
183.11659	7.0
184.07399	2.2
185.13243	4.8
187.11189	4.4
187.14807	2.9
189.11209	11.3
189.12730	2.7
191.10571	1.7
191.14297	3.0
193.12206	2.5
195.11691	2.0
197.13231	4.9
197.14830	1.2
199.14717	2.2
201.12793	2.9
203.14378	1.6
205.12263	5.5
207.13779	2.5
211.13182	2.1
211.14957	2.3
213.16434	2.1
215.18010	2.3
219.13853	1.3
221.15356	1.8
223.13280	41.3
227.12817	4.5
229.19545	6.2
239.18111	7.3
241.19473	1.7
247.20595	4.8
251.16519	2.0
253.14307	1.1
257.19000	16.0
259.20621	4.9
271.16995	1.5
273.18423	4.4
275.20065	100.0
276.20419	2.6
291.19537	5.5
293.21136	44.6
331.22626	2.0
333.24301	3.6
335.26108	1.4
344.64114	1.5
349.23755	50.6
367.24799	62.8
368.25256	1.4
385.21347	2.2
401.20959	2.6
453.01541	1.1
499.33975	1.3
515.37451	2.3
517.35303	1.8
623.43201	12.1
641.44257	20.1
659.45728	23.8
677.42163	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03948	3.6
55.01874	11.5
55.05512	45.2
57.03443	7.3
57.07066	1.5
59.04991	2.0
65.03938	2.8
67.05507	42.2
69.03420	3.5
69.07070	22.3
71.04999	5.1
73.02913	0.7
77.03912	0.9
79.05495	45.5
81.03421	9.6
81.07058	43.5
83.04981	19.5
83.08620	33.1
85.02905	7.3
85.06550	2.3
87.04463	0.7
89.01593	0.7
91.05482	33.2
93.03391	1.3
93.07047	42.7
95.04971	100.0
95.08607	25.6
96.05282	1.0
97.02892	0.6
97.06532	9.8
97.10168	15.0
98.20734	1.5
99.04456	9.8
99.08087	2.0
101.05978	0.7
103.05458	1.1
105.04527	1.5
105.07034	33.5
106.28567	0.6
107.04964	12.4
107.08596	42.8
109.06519	10.4
109.10158	15.1
109.10838	1.3
111.04442	20.4
111.08069	6.6
113.06033	1.1
115.05469	1.6
116.06218	0.6
117.07016	14.9
119.08582	27.6
121.06509	9.6
121.10152	24.0
123.08072	9.6
123.11724	3.7
125.05979	2.7
125.09632	17.9
128.06241	1.6
129.07025	5.9
130.07791	2.2
131.08568	19.7
133.06540	1.4
133.10132	17.2
133.11102	1.1
135.08054	9.5
135.11697	12.2
137.05962	0.7
137.09616	3.4
139.07536	0.7
139.11163	3.4
141.06996	2.7
142.07733	1.0
143.08563	4.8
143.10626	0.9
144.09373	0.8
145.06464	2.4
145.10121	28.2
147.08052	6.8
147.11705	11.5
149.09627	38.3
149.13277	1.7
151.11189	3.0
153.09123	2.3
153.12761	3.3
155.08582	3.6
155.10681	0.7
157.10132	4.2
159.08080	0.9
159.11685	13.5
161.09668	3.3
161.13293	3.7
163.11186	39.9
165.09105	0.9
165.12833	3.8
167.10773	1.4
169.10089	3.6
171.05557	0.6
171.10170	1.8
171.11703	3.8
173.09595	2.5
173.11873	1.0
173.13264	4.3
175.11177	3.4
175.14845	1.1
177.12787	4.4
179.10632	1.2
181.10255	0.8
181.12225	3.9
183.11707	2.4
185.13277	1.4
187.11201	4.1
187.14821	1.2
189.11220	17.1
189.12730	1.7
191.10713	1.7
191.14337	1.7
193.12251	2.2
197.13243	2.1
199.14859	0.9
201.12761	1.6
205.12215	8.1
207.13860	1.9
211.13289	2.5
211.15001	1.1
213.16339	0.9
215.14294	0.8
219.13809	0.8
221.15401	1.4
223.13290	71.1
224.13895	0.6
227.12791	2.2
229.19478	3.9
233.15367	1.2
237.14842	1.3
239.17982	4.4
247.20554	3.1
257.18994	11.1
265.18646	0.7
273.18509	1.0
275.20065	84.4
276.20456	1.3
279.15900	0.8
283.15381	1.0
293.21127	60.4
311.22192	1.9
331.22675	2.0
348.21875	0.7
349.16846	1.7
349.23703	29.1
367.24792	77.9
368.25034	1.5
385.21225	1.1
439.23343	0.8
511.11432	0.7
530.97217	0.7
623.43433	3.4
634.77496	0.6
641.44165	12.9
659.45251	37.0
660.45758	1.0
677.42090	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	677.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01660	1.7
55.01878	14.0
55.05518	47.5
57.03197	1.3
57.03447	8.7
57.07082	3.6
59.05006	3.6
62.23153	1.2
65.03948	4.9
67.05513	69.9
68.05844	1.7
69.03438	6.4
69.07075	34.6
71.05000	9.4
75.00043	4.0
75.04502	8.8
77.03941	2.7
78.17414	1.3
79.05501	74.7
80.05844	1.3
81.03416	11.0
81.07066	94.7
82.07390	2.9
83.04988	18.7
83.08629	28.1
85.02927	4.6
85.06548	5.6
86.09667	1.4
87.04478	1.5
91.05492	74.6
92.05831	1.8
93.07058	70.1
95.04980	58.1
95.08620	43.1
97.02920	2.9
97.06539	15.7
97.10180	13.1
98.06865	1.8
98.20814	4.0
99.04473	7.2
99.08086	3.6
103.05492	2.9
105.04524	2.4
105.07042	76.7
106.07384	1.8
107.04973	14.6
107.07876	2.8
107.08604	55.9
108.08925	1.8
109.06530	16.8
109.10168	21.9
111.04457	14.0
111.08083	8.7
113.01552	2.6
113.06030	1.8
113.09654	1.5
115.05405	2.8
116.06223	1.6
117.07023	28.8
118.07381	1.4
119.08595	58.4
120.08958	2.0
121.06539	12.0
121.10156	38.9
123.08092	15.7
123.11704	7.5
125.06020	5.3
125.09638	13.5
128.06261	3.9
128.96597	1.3
129.07043	12.3
130.07784	1.9
131.08588	37.9
131.09543	2.4
133.06540	4.4
133.10147	48.4
135.08066	12.9
135.11708	18.8
137.09634	7.3
137.13245	1.9
139.07597	1.4
139.11221	3.6
141.04692	2.1
141.07001	5.8
142.07797	2.6
143.08589	14.5
144.09300	1.6
145.06540	3.1
145.10143	39.4
147.08028	9.1
147.11705	23.8
149.09644	30.2
149.13280	5.7
151.07558	3.0
151.11197	4.8
153.09058	2.0
153.12772	2.3
154.07916	1.5
155.08592	4.7
156.09325	1.6
157.10158	13.8
159.08148	3.2
159.11716	19.8
161.09654	8.4
161.13275	9.3
163.11194	26.9
165.09181	4.1
165.12825	4.8
167.08632	1.6
167.10738	2.1
168.09383	1.9
169.10107	7.2
171.11694	9.8
173.09653	3.3
173.11902	2.5
173.13269	11.5
175.11243	5.4
175.14854	2.7
177.12724	6.9
179.08571	2.1
179.10732	2.5
179.14462	1.4
181.10172	1.7
181.12256	8.6
183.11743	7.9
185.09641	1.9
185.13313	4.5
187.11209	3.3
187.14854	4.7
189.11266	10.5
189.12723	2.7
191.10728	2.4
191.14299	2.6
193.12317	4.0
195.11754	3.3
195.13774	2.0
197.13330	4.4
199.14948	2.8
201.12790	2.3
205.12297	4.3
205.15923	1.4
207.13884	3.2
209.13414	1.5
211.14914	3.0
213.16504	2.1
219.13875	2.6
221.13188	1.8
221.15434	3.8
223.13289	47.4
227.12837	3.2
229.19547	6.3
233.15453	2.5
239.17964	8.1
241.19559	3.0
245.19006	2.0
247.20677	3.0
251.16422	2.0
257.19022	17.7
259.20688	5.7
273.18530	8.1
275.20096	84.3
276.20538	3.0
291.19580	4.1
292.20059	2.4
293.16446	1.7
293.17639	2.3
293.21140	34.7
293.24323	2.4
311.17749	4.8
313.21542	2.5
331.22864	5.7
333.24255	3.9
335.25787	1.7
347.22446	3.0
348.22656	1.4
349.23773	23.8
367.20419	11.8
367.24838	5.1
385.21390	15.1
401.20938	1.9
444.33466	1.5
454.78979	1.4
513.52020	1.4
515.37146	5.2
623.42761	8.5
641.43756	7.3
645.40308	3.2
659.40680	16.7
677.41821	100.0
678.42346	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	677.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.3
53.03941	7.0
55.01871	8.9
55.05513	43.7
57.03437	12.9
57.07082	5.5
59.04993	3.6
61.02928	1.4
65.03947	7.2
67.05505	89.6
69.03416	5.1
69.07066	30.7
70.93431	1.3
71.04984	8.0
71.08611	1.7
71.51936	1.3
75.00039	2.4
75.04472	2.2
77.03944	2.0
79.05494	73.8
81.03412	7.9
81.07057	100.0
83.04980	8.9
83.08620	19.2
85.02897	3.4
85.06521	5.1
85.10181	1.4
86.59827	1.0
87.04493	1.4
89.01562	1.8
89.06030	3.7
91.05482	72.4
93.07044	71.2
93.60075	1.1
95.04964	14.8
95.08607	44.9
97.02882	3.0
97.06520	9.7
97.10170	18.2
99.04448	1.8
99.08103	2.8
103.05467	3.8
105.04506	1.3
105.07034	71.5
107.04974	9.3
107.08598	43.9
109.06516	11.7
109.10155	33.1
109.10717	0.6
111.04436	2.6
111.08076	6.3
113.06014	1.4
113.09660	1.4
114.23172	1.1
115.05453	5.6
117.07014	30.8
119.04919	1.1
119.08584	66.0
121.06525	9.3
121.09325	2.3
121.10139	29.1
123.08076	15.3
123.11696	7.0
125.05968	3.2
125.09619	14.2
128.06250	5.6
129.01118	1.4
129.05542	2.1
129.07010	21.3
130.07806	3.6
131.08565	41.8
133.00473	1.6
133.06454	3.1
133.08615	1.9
133.10129	40.2
135.08073	8.6
135.11697	19.5
137.09618	4.0
139.11192	2.7
141.06956	5.6
142.07741	4.7
143.08562	24.3
143.10468	1.0
144.09337	2.6
145.06456	4.7
145.10123	39.0
147.08051	9.1
147.11690	34.3
149.09596	10.6
149.13268	8.0
151.11185	3.1
153.09055	1.5
155.08554	11.7
156.09274	1.5
157.06471	2.3
157.10121	22.4
159.08054	5.1
159.11693	25.5
161.09622	7.4
161.13275	21.0
163.11136	10.8
163.14813	3.1
165.07028	1.5
165.09024	1.3
165.12729	1.5
166.07756	1.3
167.08582	6.4
167.10640	1.8
169.10117	14.0
170.10895	1.4
171.08073	1.3
171.10226	2.2
171.11676	19.7
173.07361	1.3
173.09622	4.3
173.11752	4.3
173.13271	16.9
175.11165	4.1
175.14804	9.1
177.12772	3.1
179.08565	3.2
179.10770	1.6
180.09470	1.7
181.10080	7.0
181.12245	4.9
182.10930	1.8
183.08173	1.3
183.11688	12.4
184.12459	1.6
185.09619	2.7
185.13243	14.2
187.11209	3.1
187.14804	7.1
189.11189	6.1
189.12741	4.1
189.16406	1.4
191.08609	1.3
191.10721	1.8
192.09290	1.3
193.10149	3.8
194.11064	1.2
195.10144	1.3
195.11684	5.6
197.07162	1.3
197.13251	10.3
199.11221	2.7
199.14861	7.7
201.12801	3.2
201.16393	2.3
203.14296	3.5
205.15755	1.6
207.11664	3.2
207.13515	1.2
208.91933	1.0
209.13300	7.1
211.11295	2.2
211.14835	5.2
213.12762	3.0
213.16431	4.4
215.18033	2.2
217.15948	1.3
217.41400	1.0
219.11682	1.8
219.13765	1.4
221.13283	3.8
221.15308	2.1
223.11235	1.3
223.14841	4.7
225.12816	2.4
225.16402	4.2
227.12695	10.2
227.17947	2.0
229.14275	11.0
229.19481	1.4
231.17387	1.9
231.21051	3.2
235.14867	2.3
237.16396	4.0
239.17957	4.4
241.19527	21.2
243.20996	1.5
245.18948	1.6
247.17000	1.1
253.19545	2.4
255.17377	3.4
257.19012	6.2
259.20575	47.5
261.18729	1.4
261.22232	1.5
271.20590	4.5
273.18491	16.8
273.22070	3.9
275.20096	9.5
277.21683	4.2
283.20642	2.3
285.22073	1.7
289.21545	1.4
291.16547	2.2
291.19583	34.2
299.19797	1.3
309.16147	3.5
313.21637	1.6
315.23199	4.5
323.23550	1.3
327.17215	2.2
327.23257	1.6
331.22507	1.8
333.24240	36.3
335.25858	7.4
347.22214	2.7
349.23755	2.8
351.25323	1.6
363.26791	1.5
377.28586	2.6
379.30008	2.2
383.19882	4.7
395.29269	5.4
397.30908	3.7
399.19534	2.4
401.20871	17.9
407.29617	2.5
415.27704	1.2
423.32083	1.9
431.27216	10.8
433.28842	3.4
481.33127	2.4
493.08823	1.5
495.34839	1.5
499.34290	8.2
505.30670	3.1
513.36957	6.0
515.37402	14.2
517.35309	16.5
531.38025	4.8
549.39117	4.4
567.35309	1.2
585.36816	3.8
603.37927	1.9
605.42175	8.1
623.43054	36.6
641.41125	5.8
645.41650	1.7
659.40814	48.5
677.41815	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	677.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.1
53.03950	7.6
54.34900	1.0
55.01877	11.1
55.05515	44.1
57.03441	12.3
57.07077	6.3
59.05008	7.9
61.02937	2.3
63.08801	0.9
65.03937	5.3
67.05509	90.9
69.03442	6.8
69.07070	32.5
69.82569	6.0
71.05006	9.6
71.08629	2.8
73.02910	1.5
75.00023	1.5
75.04480	3.8
77.03943	2.2
79.05502	72.8
79.69640	0.9
81.03441	9.4
81.07065	100.0
83.04999	10.3
83.08627	21.0
85.02915	2.7
85.06541	7.0
89.01582	2.2
89.06036	2.9
91.05489	75.8
93.07052	72.5
95.04980	19.7
95.08617	51.3
97.02894	3.5
97.06555	8.1
97.10177	18.0
99.04473	1.7
99.08093	4.1
103.05461	3.8
104.06302	1.0
105.04516	3.1
105.07042	70.8
107.04974	8.5
107.08604	42.0
109.06532	12.4
109.10168	33.3
111.04461	3.0
111.08092	6.7
113.09646	1.5
115.05479	5.3
116.06226	2.5
117.07024	30.8
119.04948	2.1
119.08590	67.4
121.06532	12.3
121.09335	1.9
121.10161	31.2
123.08084	14.3
123.11731	5.3
125.05977	2.0
125.09642	13.5
128.06221	6.8
129.05525	1.9
129.07024	23.4
130.07829	2.9
131.08583	44.0
132.09355	1.1
133.06477	4.3
133.07478	1.0
133.08617	2.4
133.10144	40.3
135.04414	1.2
135.08052	9.4
135.11702	19.1
137.09624	6.4
139.11160	2.0
141.06984	8.7
142.07753	5.5
143.08568	25.2
144.09253	1.6
145.06509	4.2
145.10141	43.6
147.08051	11.3
147.11697	32.2
149.09621	8.4
149.13261	8.5
151.07584	2.8
151.11165	3.9
153.07051	1.9
153.09126	2.9
154.07791	1.7
155.02655	1.4
155.08571	11.2
156.09390	2.5
157.06531	1.2
157.10141	21.2
159.08087	5.5
159.11711	27.6
161.09622	9.8
161.13280	20.0
163.07614	1.2
163.11192	10.9
163.14832	3.1
165.07060	1.4
165.09134	2.1
165.12755	3.3
166.07841	1.3
167.08601	4.8
167.10663	2.4
168.09375	1.3
169.10144	14.0
170.10905	2.1
171.08173	1.5
171.10254	2.1
171.11699	22.8
173.09641	4.3
173.11789	3.0
173.13240	17.8
175.09839	1.4
175.11102	5.6
175.14844	10.6
177.11319	1.2
177.12755	2.4
177.16267	1.1
179.08601	3.8
180.09436	1.1
181.10104	7.6
181.12251	4.4
182.10892	1.4
183.11708	13.3
184.12476	1.1
185.09584	2.6
185.13292	13.0
187.11197	3.4
187.14844	7.3
189.11218	5.9
189.12827	2.5
189.16470	2.1
191.14323	2.4
193.10153	2.9
193.12196	2.1
194.10933	1.3
195.11687	8.0
197.07336	2.0
197.13278	8.0
199.11194	3.8
199.14778	7.4
201.12712	2.2
201.16434	2.8
203.14281	3.3
205.10246	1.2
207.11784	4.2
207.13676	1.7
209.13278	6.9
210.13829	1.1
211.11215	2.0
211.14896	6.5
213.12743	2.6
213.16356	3.5
215.14484	1.3
215.17984	1.4
217.15715	1.3
219.11826	1.8
219.13866	1.7
219.17436	1.4
221.13254	2.6
221.15419	1.8
223.13040	1.5
223.14868	4.0
225.16423	4.5
227.12712	13.3
227.17867	2.6
229.14297	10.6
231.17485	1.9
231.21072	4.6
233.15419	2.0
235.14786	3.0
237.16428	3.0
239.14328	1.4
239.17949	3.0
241.19498	17.2
243.21075	1.8
249.18581	2.0
253.16023	1.2
253.19423	1.5
255.17622	2.4
255.21028	1.1
257.19070	7.4
259.20599	39.7
269.19067	1.2
271.17020	1.4
271.20636	3.4
273.15744	1.7
273.18494	14.4
273.22092	4.6
275.20123	9.9
277.21628	3.8
285.22095	1.9
289.17975	1.2
289.21823	1.1
291.19589	29.1
297.22037	1.2
309.16071	3.2
315.23315	5.8
327.23242	1.9
329.24933	1.4
331.22726	2.4
333.24261	33.4
335.25937	9.1
347.22314	3.2
349.24203	3.3
351.25647	1.8
377.28375	2.8
379.30014	2.3
381.27957	1.7
383.19791	3.6
385.21347	1.8
395.29416	4.8
397.31183	2.7
399.19553	2.7
401.20905	16.3
405.31573	1.3
407.29364	1.9
413.26233	1.3
415.27786	1.8
423.32755	2.9
425.30704	1.5
431.27219	8.8
433.28790	3.1
449.29498	1.2
469.33270	1.3
481.33414	1.8
497.36270	2.6
499.34283	7.3
505.30829	3.7
513.36786	4.7
515.30438	1.6
515.37433	22.1
517.35388	10.1
531.38116	5.4
549.39703	3.0
567.39679	1.4
585.37158	2.4
603.37830	1.5
605.42175	7.8
623.43091	35.7
641.41034	6.8
645.41028	2.1
659.40747	46.6
677.41797	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01863	6.2
55.05512	22.1
57.03453	7.9
57.07068	4.4
57.86127	1.7
61.02650	2.0
61.02928	24.9
65.03929	4.6
67.05506	83.2
68.05834	1.8
69.03417	7.6
69.07070	21.6
70.11665	1.6
71.04987	5.3
71.08617	2.6
73.02902	11.4
75.04466	3.3
79.05493	58.3
80.05862	1.6
81.03399	5.2
81.07057	96.6
82.07393	2.0
83.04977	7.6
83.08623	12.9
85.02903	30.5
85.06522	5.8
89.06010	2.3
91.03962	28.3
91.05479	41.0
93.07046	75.4
93.07633	4.1
95.04968	22.3
95.08608	68.3
97.02892	13.1
97.06526	7.3
97.10152	7.8
99.04436	5.6
99.08070	2.3
105.07037	35.3
107.04948	4.5
107.08603	46.3
108.08925	2.0
109.02876	1.9
109.06517	7.4
109.09476	3.0
109.10165	38.1
110.10442	1.6
111.04435	2.4
111.08081	4.5
113.09624	2.6
115.03902	2.1
117.07026	15.6
119.07831	1.9
119.08586	23.5
121.06464	3.6
121.10137	44.5
123.08051	6.6
123.11712	15.5
125.05972	3.1
125.09616	5.4
127.03906	7.5
129.06993	4.4
130.07693	1.5
131.08569	30.0
133.06450	1.9
133.10136	24.2
135.08055	5.3
135.11696	33.8
137.09625	5.5
137.13214	5.8
139.11174	3.3
142.07779	1.9
143.08571	6.4
145.04951	15.4
145.10127	28.2
147.08046	4.7
147.11690	18.5
149.09645	8.7
149.13260	23.3
151.07507	2.6
151.11195	2.7
153.06940	1.8
153.09079	2.1
153.12695	2.2
157.10149	3.8
159.11684	22.2
161.09593	4.3
161.13251	12.4
163.06018	21.6
163.11198	11.5
163.14841	15.3
165.09074	4.2
165.12796	2.2
169.10112	4.7
171.11732	1.9
173.09592	1.8
173.13251	20.0
175.11205	2.3
175.14857	4.8
177.12746	4.0
177.16393	5.7
179.14250	3.2
181.12209	4.7
183.11752	2.8
185.13298	3.4
187.14810	9.4
189.11163	2.9
191.14279	3.6
193.12222	1.8
195.11670	1.9
199.11092	2.4
199.14713	1.9
201.16371	3.8
205.15909	1.9
208.08893	1.6
215.14394	2.3
215.17984	2.2
217.19443	2.1
221.15312	5.1
223.13284	7.4
229.14125	1.9
233.22569	2.8
243.21077	36.2
251.16197	3.2
253.18018	3.7
254.18346	3.1
257.18997	3.7
261.22134	100.0
262.22424	2.9
273.18509	3.5
275.20078	17.6
277.21124	2.0
279.23199	3.2
291.19513	3.2
293.20987	5.6
327.22928	1.8
335.25818	21.4
349.23657	4.5
353.26880	45.4
367.24701	8.6
385.21341	3.1
461.28610	1.7
465.30057	9.2
479.30334	1.7
497.31064	3.2
641.43756	3.0
659.43634	2.6
677.43469	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01863	5.5
55.05513	22.5
57.03440	9.5
57.07067	6.3
59.04985	2.3
61.02934	18.0
63.74264	1.2
65.03937	3.3
67.05511	83.7
69.03418	3.6
69.07072	18.2
69.60936	1.3
71.04992	2.7
73.02927	7.8
73.06546	2.0
73.29076	1.2
75.04471	5.5
77.03939	2.4
77.66942	1.4
79.05503	51.3
80.05827	2.7
81.03416	5.2
81.07059	100.0
82.07397	3.1
83.04977	7.5
83.08618	15.5
84.08898	1.7
85.02911	26.0
85.06544	4.5
89.06045	3.8
91.03967	18.8
91.04922	1.4
91.05483	36.2
93.07053	70.4
94.07375	2.7
95.04983	13.8
95.08614	71.6
96.05325	3.6
96.08924	2.2
97.02899	9.3
97.06536	5.5
97.10169	7.7
99.04455	4.7
99.08085	3.0
103.03917	1.7
105.04496	2.4
105.07037	29.4
106.07362	2.3
107.04923	3.7
107.07875	2.8
107.08602	46.2
108.08942	1.8
109.02829	1.9
109.06516	5.6
109.09474	2.8
109.10169	37.2
111.04449	3.8
111.08086	3.6
116.82087	1.4
117.07014	12.1
119.08598	24.4
120.08933	2.5
121.06500	4.3
121.10151	42.3
123.08080	8.2
123.11712	14.5
124.08449	1.9
125.06026	2.3
125.09636	5.1
127.03914	5.4
129.07037	3.2
131.08575	21.7
132.08911	2.3
133.10150	18.6
135.08012	3.5
135.10712	2.1
135.11711	30.7
137.09604	5.7
137.13278	7.8
138.09938	2.5
139.11206	3.0
142.07806	1.6
143.08540	3.9
145.04958	8.0
145.10139	24.7
146.10439	2.6
147.08078	3.1
147.11700	14.4
149.09621	5.1
149.13286	21.5
151.07564	2.9
151.11177	3.2
153.12776	1.5
157.10164	2.9
159.08043	2.5
159.11707	17.4
161.09657	2.2
161.13281	13.0
163.06006	10.9
163.11165	9.8
163.13681	1.7
163.14828	12.2
164.11542	2.7
165.09142	2.2
165.12822	3.8
169.10100	1.9
170.00453	1.6
171.11713	3.6
173.13274	13.5
175.11148	2.0
175.14859	3.8
177.12762	1.6
177.16437	5.9
179.14357	3.8
181.12227	3.7
185.13152	1.6
187.14828	11.5
189.11256	2.4
189.12772	2.4
191.14252	2.7
201.16399	4.0
203.14503	1.8
205.15776	1.6
221.15405	4.0
223.13251	7.1
224.13663	3.9
233.22656	2.5
243.21100	29.8
253.18063	6.7
254.18330	5.2
261.22159	82.7
273.18399	2.9
274.19025	1.7
275.20020	9.3
276.20322	2.4
279.23212	3.9
291.19574	4.8
292.19772	3.2
293.20932	2.7
294.21442	2.1
317.24750	1.4
335.25864	31.0
348.22903	1.5
349.23517	3.5
350.24030	1.8
353.26907	36.4
356.49463	1.4
360.03583	1.4
366.23621	2.3
367.24393	3.9
368.25235	1.9
453.20663	1.9
465.20798	3.0
465.29922	3.6
497.31006	5.9
641.44086	1.6
659.43640	4.9
677.33899	25.0
677.43726	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	675.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
53.03954	5.9
53.04161	1.1
54.60522	0.8
55.01870	12.4
55.05516	27.6
57.03444	6.6
57.07079	1.3
59.04993	1.8
61.02920	0.8
65.03957	4.7
67.05508	57.3
69.03443	5.1
69.07069	23.3
70.06607	1.9
70.43022	0.8
70.43367	2.2
71.05019	4.8
73.06577	1.1
79.05498	49.1
81.03427	7.5
81.07060	100.0
82.07372	0.8
83.04984	15.6
83.08146	1.3
83.08624	16.3
84.04511	1.1
84.08164	1.4
85.02892	4.7
85.06541	3.5
91.05486	36.0
93.07049	40.6
95.04979	17.4
95.08614	28.4
97.02875	1.7
97.06527	11.9
97.10175	15.4
99.04453	2.4
99.08069	2.8
103.05427	1.4
105.07036	36.0
107.04977	11.2
107.08604	26.3
109.06542	15.1
109.10166	17.0
111.04462	10.6
111.08080	6.8
115.05447	1.5
117.07022	13.4
119.08588	32.0
121.06528	9.3
121.10143	17.6
123.04409	1.6
123.08070	22.9
123.11703	7.4
125.05989	2.6
125.09628	14.6
128.06248	2.0
129.07005	6.8
130.07828	1.0
131.04910	1.1
131.08568	18.8
133.06491	3.0
133.10139	16.9
135.08069	7.9
135.11696	9.4
137.09607	5.6
139.11180	1.8
141.07018	1.3
143.08582	6.4
145.06471	1.9
145.10132	18.1
147.08046	8.0
147.11693	16.4
149.05946	1.0
149.09634	12.2
149.13239	3.0
151.11185	2.8
153.09087	3.0
153.12775	5.4
155.08521	3.2
157.10143	6.9
157.11261	1.0
159.08118	1.0
159.11685	9.7
161.08421	1.0
161.09587	4.8
161.13226	2.9
163.11192	18.5
165.09122	3.2
165.12755	4.2
167.10725	1.0
169.10126	2.7
171.10332	1.7
171.11719	5.1
173.09605	3.1
173.11852	1.5
173.13135	4.6
175.11166	5.0
175.14792	1.2
177.12747	2.4
179.10632	1.1
181.12236	6.8
183.11684	2.8
185.13210	2.2
187.11223	1.7
187.14880	2.1
188.38548	0.8
189.11224	11.5
189.12744	1.6
191.10614	4.7
191.14265	1.3
193.12329	4.3
195.11708	1.3
199.32980	0.9
201.12769	1.2
203.14319	0.9
207.13783	1.5
209.11650	1.3
209.13364	1.1
223.13290	6.4
227.12799	12.7
227.17723	1.1
229.19405	2.1
233.15437	1.0
237.16389	1.5
239.18027	2.6
245.13876	1.6
245.19029	1.8
247.20490	2.5
249.14969	2.2
255.17465	3.6
255.19853	0.9
257.19034	6.9
259.01956	1.0
259.21130	0.8
263.16211	1.0
263.20102	1.2
267.16193	1.2
269.17371	1.1
273.18530	21.8
275.20084	45.3
277.96826	0.8
283.15338	2.1
291.19543	46.1
293.21106	7.3
309.20621	4.5
329.21506	1.2
331.22672	1.4
343.22729	1.0
347.22241	7.0
349.23737	23.5
365.23224	23.3
367.24802	12.8
383.24393	3.4
461.29962	0.9
462.99457	0.9
519.32916	3.1
541.36096	1.0
559.35870	1.0
572.04803	1.1
577.37372	1.1
583.39569	1.5
621.41193	2.6
639.42706	12.5
657.43665	16.5
675.44751	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	675.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.4
51.02392	1.1
53.03949	7.4
55.01879	25.4
55.05514	43.9
57.03448	11.8
57.07061	3.6
59.05000	3.2
59.77790	1.1
61.02919	1.1
65.03934	6.4
65.84102	1.2
66.68108	1.2
67.05508	77.5
69.03428	9.1
69.07073	39.1
71.04437	1.2
71.04980	7.6
71.08617	1.2
73.02911	1.7
75.00064	1.3
75.04121	1.1
75.04485	7.4
77.03905	1.7
79.05498	70.9
80.05826	2.2
81.03423	18.9
81.07063	100.0
82.07384	2.4
83.04984	17.8
83.08624	23.5
85.02917	6.3
85.06548	5.8
89.06015	1.7
91.05487	73.0
92.05814	2.1
93.07047	59.9
94.07333	1.8
95.01318	2.3
95.04379	1.8
95.04973	27.8
95.08612	42.4
97.02906	5.9
97.06541	30.4
97.10185	17.0
99.04456	2.7
99.08076	3.1
103.05467	3.3
105.04522	3.3
105.07037	73.3
106.07329	2.1
107.04967	25.4
107.08600	48.6
108.08938	1.6
109.02918	1.4
109.06534	19.2
109.10166	26.7
111.04485	6.0
111.08075	7.1
112.03589	1.3
113.05994	4.5
113.09625	1.8
115.05450	6.1
116.06282	1.4
117.07027	31.0
119.08591	51.5
120.08910	1.9
121.06510	11.5
121.10151	24.2
123.04394	2.4
123.08080	19.7
123.11700	4.3
125.05905	1.6
125.09634	14.1
128.06224	3.6
129.05492	1.9
129.07018	15.9
130.07776	4.7
131.04909	1.4
131.08577	36.2
132.09029	1.3
133.06482	6.4
133.10143	36.8
134.10477	1.5
135.08061	14.4
135.11679	14.3
137.09631	11.4
139.07506	2.0
139.11168	4.1
141.07004	5.8
142.07773	3.7
143.08565	13.2
145.06488	3.6
145.10136	38.8
145.11313	2.0
147.08060	12.1
147.11691	22.0
148.08356	1.3
149.09636	23.7
149.13246	6.3
151.07552	2.4
151.11183	5.9
153.09074	2.1
153.12691	2.5
155.08554	8.4
156.09268	2.1
157.10110	14.4
158.10838	1.2
159.08031	5.1
159.11714	21.5
161.09653	12.7
161.13266	7.2
163.11180	20.6
163.14851	2.1
165.09120	4.5
165.12798	2.7
167.08533	2.7
167.10696	2.0
168.09392	1.6
169.10117	8.9
171.10268	2.2
171.11659	10.8
173.04474	3.6
173.09627	5.2
173.11856	2.1
173.13249	9.0
175.11200	4.4
175.14806	3.4
177.12785	6.8
179.10687	1.6
179.14374	7.3
181.10121	4.8
181.12245	5.6
183.11731	7.8
185.09604	1.5
185.13295	6.8
187.11140	4.3
187.14857	3.8
189.11201	8.1
189.12769	4.1
189.16382	1.9
191.10695	3.5
191.14293	1.7
193.10223	2.1
193.12247	6.6
195.11722	3.2
197.13255	6.9
199.11182	3.1
199.14891	2.6
201.12700	2.5
201.16441	1.6
203.14246	1.3
205.12181	2.0
205.15900	2.6
207.11665	2.3
209.13231	3.8
211.11417	1.5
211.13123	2.2
211.14883	2.7
213.12755	1.6
213.16386	2.0
215.17761	2.0
217.14168	1.5
217.16071	1.6
219.17485	2.0
221.15413	3.5
223.11415	1.3
223.13142	5.9
227.10847	1.4
227.12718	7.2
227.17949	2.7
229.14192	2.1
229.19516	5.3
237.16440	2.1
239.17975	4.1
241.19524	4.0
245.19098	2.6
247.16972	1.2
247.20551	3.3
249.14557	1.3
253.17960	2.2
255.17444	4.0
257.19022	16.2
259.20575	5.8
273.18524	25.9
275.20084	66.8
276.20435	4.2
277.20911	1.8
289.18002	3.5
291.19525	38.8
293.21185	10.2
307.19037	1.4
309.16171	2.8
309.20642	2.0
311.19885	1.3
313.21555	1.8
315.23267	1.7
329.21143	2.4
331.22629	4.5
333.24432	6.4
345.20627	2.7
347.22229	7.6
349.23801	26.6
365.23209	12.9
367.24683	2.7
381.22858	1.6
383.19687	2.7
383.24069	2.9
385.21182	1.8
399.23840	3.2
421.30853	2.3
513.35999	13.4
515.33514	2.0
529.36102	2.3
531.36743	1.8
541.35217	2.3
621.41345	7.4
639.42615	21.9
657.43878	16.0
675.40515	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	675.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03955	6.9
55.01879	15.0
55.05515	48.0
57.03443	8.1
57.07070	2.3
59.04993	2.8
65.03929	4.0
67.05510	58.0
69.03427	6.6
69.07072	27.7
69.79389	5.2
71.05010	9.2
73.02918	1.2
79.05499	62.4
80.05831	1.3
81.03425	17.1
81.07063	100.0
82.03771	1.4
82.07401	1.7
83.04984	24.4
83.08155	2.1
83.08624	31.5
85.02906	11.6
85.06533	4.6
91.05486	41.3
93.07053	52.6
93.07642	2.8
94.04191	1.3
95.04973	65.1
95.08613	28.5
96.05323	2.1
97.06553	9.8
97.10173	23.1
99.04453	11.1
99.08065	2.0
105.04507	1.6
105.07039	36.2
107.04960	14.0
107.08601	38.4
109.06529	14.9
109.10152	15.4
111.04456	27.2
111.08089	10.6
113.06001	1.4
115.05468	2.0
117.07023	15.5
119.04923	1.8
119.08584	34.7
121.06520	14.0
121.09325	2.1
121.10143	25.8
123.04476	1.3
123.08076	28.3
123.11681	2.7
125.05972	4.2
125.09628	22.0
128.06161	1.4
129.07024	9.2
130.07776	1.2
131.08582	25.0
133.06479	3.4
133.10130	16.7
135.08060	9.2
135.11705	16.6
137.06030	1.4
137.09642	6.4
139.11201	1.6
141.06995	2.9
142.07867	1.2
143.08597	8.0
145.06474	2.1
145.10127	25.3
147.08076	11.0
147.11708	10.5
149.09634	24.7
149.13202	3.3
151.11183	4.1
153.09113	4.4
153.12764	9.1
155.05971	1.3
155.08588	4.2
155.10611	1.6
157.10153	7.9
158.10599	1.1
159.08012	4.6
159.11693	12.2
159.88185	1.1
161.09625	7.9
161.13258	2.9
163.09860	2.3
163.11189	33.1
165.09129	4.1
165.12758	3.2
169.10114	2.7
171.10243	2.5
171.11685	6.3
173.09592	4.4
173.13274	3.3
175.11165	4.3
175.14771	1.6
177.12758	3.7
181.12224	9.9
183.11743	3.5
185.09651	2.2
185.13229	2.4
187.11148	4.6
189.11234	23.0
189.12717	1.4
191.10684	6.1
191.14191	1.2
193.12219	6.4
195.11823	1.7
197.13301	1.9
199.14845	1.9
205.12238	4.8
207.13863	1.7
209.11612	2.5
211.13232	2.7
223.13303	47.4
227.12790	16.2
227.17792	1.8
229.19579	1.9
239.17918	4.1
245.18973	2.3
247.20465	1.6
249.14787	2.1
255.17386	1.5
257.19058	5.6
267.15924	5.0
268.16306	3.7
273.18521	29.5
275.20090	44.1
283.15396	4.6
291.19556	59.7
293.21130	29.9
309.20477	3.9
329.20755	1.3
347.22241	8.4
349.23743	11.1
365.23218	34.8
367.24857	29.0
445.73254	1.2
459.27390	2.2
460.27747	4.3
478.28799	3.7
511.34796	1.6
531.33417	1.6
565.38171	1.9
621.41095	2.6
639.42676	13.5
657.43677	35.7
675.44946	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	675.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.1
51.02374	1.5
53.03945	7.2
55.01628	1.4
55.01874	15.6
55.05515	52.7
57.03446	7.3
57.07075	2.8
58.76833	0.9
59.04996	3.4
64.28705	0.9
65.03937	5.6
67.05509	71.9
69.03431	6.8
69.07074	26.7
69.07446	0.8
70.01268	4.6
71.05016	6.2
73.06561	2.8
75.04485	11.9
77.03902	1.7
79.05498	67.2
81.03432	12.2
81.07063	100.0
83.04987	21.4
83.08624	37.2
84.08141	1.1
85.02907	5.3
85.06538	5.8
89.06045	9.5
91.05488	59.7
92.05798	1.0
93.07049	58.9
94.04220	1.3
95.01360	0.9
95.04974	34.6
95.08611	41.9
97.02895	4.2
97.06539	13.9
97.10174	19.7
98.21426	1.1
99.04430	4.4
99.08099	3.0
103.05457	2.8
105.04527	1.4
105.07040	50.2
107.04963	21.0
107.08602	43.4
109.02877	1.4
109.06524	15.8
109.10159	25.1
111.04449	17.0
111.08092	16.4
113.05988	3.1
113.25313	1.1
115.05469	2.7
117.07033	24.4
119.08586	41.6
121.06507	12.6
121.10144	26.8
122.70765	1.0
123.04451	1.7
123.07200	1.9
123.08076	33.3
123.11690	3.9
125.06010	2.7
125.09642	21.9
127.07600	1.0
128.06226	2.9
129.06992	9.8
130.07832	2.3
131.04980	1.4
131.08574	26.6
133.06473	5.4
133.09126	1.6
133.10138	29.3
135.08069	12.8
135.11705	16.7
137.09631	17.7
137.13289	1.2
139.07549	1.2
139.11185	6.7
141.06978	3.3
142.07834	2.0
143.08586	11.9
145.06512	3.4
145.08408	1.2
145.10138	32.7
145.11307	1.9
147.08058	11.6
147.11693	14.0
149.05914	1.4
149.09630	25.7
149.13280	3.3
151.11220	6.1
153.06927	1.3
153.09111	6.2
153.12717	6.6
155.08560	5.4
155.10655	2.2
156.09348	1.1
157.10120	8.2
159.08090	3.5
159.11707	14.4
161.09631	8.4
161.13298	6.0
163.11188	39.9
165.09119	7.3
165.12750	7.5
167.10643	1.4
168.09407	1.0
169.10110	6.3
171.08037	1.5
171.10300	2.4
171.11702	8.7
173.09663	5.5
173.13289	5.0
175.11186	7.4
175.14841	1.2
177.12776	6.4
179.10721	3.3
179.14351	1.5
181.12234	10.4
183.11740	3.3
185.09705	1.1
185.13322	2.6
187.11174	2.9
187.14839	2.6
189.11238	14.1
189.12799	3.9
191.10698	9.4
191.14342	1.4
193.12245	3.2
195.11740	1.5
197.13271	1.8
199.14783	2.1
201.12823	1.7
203.14378	3.3
205.12250	2.3
207.13849	1.8
209.11638	2.2
209.13393	1.0
211.11172	1.1
211.14896	1.5
213.16446	1.2
215.14308	0.9
217.15948	1.4
221.15355	5.3
223.13290	10.7
227.12773	14.9
227.18001	2.3
229.19543	3.7
233.15292	1.4
235.13023	1.0
237.16577	1.0
239.18010	6.9
241.19563	1.2
242.48764	1.1
245.13774	1.4
245.19093	2.3
247.20573	2.9
249.14696	1.2
253.18007	27.4
255.17406	3.9
257.18997	11.4
259.20575	1.1
273.18503	28.3
274.18726	1.0
275.20084	56.6
276.20392	1.7
279.15881	1.2
279.19351	1.2
283.15329	2.0
289.17978	1.2
291.19556	61.7
293.21140	10.6
309.20648	4.0
329.21124	1.7
347.22256	9.1
349.23761	32.9
350.23923	1.1
365.23236	26.9
367.24817	11.9
383.24243	4.1
492.33621	1.1
513.35620	1.0
519.32977	2.6
577.31854	1.1
621.41803	4.6
639.42792	14.1
657.43658	17.2
675.45117	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	675.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.0
51.02366	1.7
53.03941	4.7
55.01871	19.1
55.05513	54.2
57.03199	0.9
57.03439	11.5
57.07077	1.8
59.05004	2.4
64.58428	1.0
65.03949	4.6
67.05506	60.9
68.05825	1.2
69.03435	5.6
69.07069	26.3
71.05002	7.3
72.28260	0.9
72.59001	0.9
73.06558	2.8
75.04475	7.9
77.03933	1.4
79.05494	67.4
80.65012	0.8
81.03415	13.1
81.07056	100.0
83.04495	1.5
83.04980	27.1
83.08621	34.4
85.02903	10.9
85.06537	3.4
89.06026	7.2
91.04900	1.4
91.05483	42.9
93.07046	55.2
95.04971	77.0
95.08607	36.4
97.06532	12.4
97.10162	26.3
99.04462	11.2
99.08093	2.4
99.10486	0.9
103.05491	1.5
105.04499	1.6
105.07034	37.5
107.04957	16.2
107.08596	46.5
109.06525	18.9
109.09485	1.5
109.10168	20.9
109.10847	0.7
111.04445	33.1
111.08085	13.5
113.06036	1.3
115.05458	2.3
115.07490	0.9
116.06176	1.1
117.07021	18.6
119.08585	34.2
121.06514	12.4
121.10144	31.3
122.07272	1.3
123.04388	1.3
123.08070	33.7
123.11713	3.9
125.05984	3.5
125.08774	1.9
125.09634	27.1
127.07510	1.4
128.06195	2.4
129.07001	8.5
130.07791	1.3
131.08574	26.8
133.06483	4.2
133.10127	18.9
135.08061	13.3
135.11690	16.6
137.05960	1.6
137.09618	16.0
137.13316	1.3
139.07501	1.6
139.11185	8.5
141.07018	2.1
141.09024	1.4
142.07848	1.5
143.08537	8.8
143.10768	1.0
144.09297	1.1
145.06474	2.3
145.10132	29.7
147.08064	13.6
147.11694	12.7
149.05951	1.3
149.09621	26.5
149.13271	1.7
151.11159	2.1
153.09142	4.9
153.12753	11.3
155.08560	3.8
155.10663	2.2
156.09328	2.0
157.10132	8.3
159.08041	3.3
159.11685	11.3
161.09657	8.3
161.13235	3.1
163.11183	36.5
163.14856	2.0
165.09149	6.5
165.12741	2.7
167.10658	1.4
169.10107	3.4
171.10161	4.2
171.11694	7.1
173.09616	3.5
173.11838	1.2
173.13234	4.5
175.11192	4.8
177.12750	6.0
179.10666	2.7
179.14372	1.5
181.10152	0.8
181.10657	1.0
181.12244	10.4
183.11749	2.5
185.09673	1.7
185.13232	2.6
187.11191	4.5
187.13220	1.2
187.14864	1.5
189.11229	23.4
189.12750	2.7
191.10638	9.3
191.14339	2.6
193.10590	0.9
193.12189	4.4
195.11673	2.4
197.13292	2.5
201.12758	1.1
203.14334	2.8
205.12183	4.9
207.13931	1.4
209.11705	4.0
211.13148	1.3
211.14873	1.3
213.12770	1.4
213.16447	1.8
217.15764	1.3
221.15349	4.0
223.13289	59.7
227.12779	16.5
227.17912	1.0
229.19547	2.4
231.17520	1.5
239.17990	2.7
245.18979	2.9
247.20595	2.3
249.14764	1.8
253.17992	34.1
255.17381	3.4
257.19049	6.2
273.18488	29.7
275.20068	54.3
279.19492	3.1
283.15442	6.1
291.19540	67.4
293.21124	35.7
309.20615	3.8
311.22269	1.4
329.21100	1.4
347.22168	11.0
349.23807	13.1
365.23203	36.2
367.24792	31.5
407.24411	2.2
439.28519	1.4
457.29053	1.2
483.99353	1.2
519.33301	1.6
529.35510	3.1
531.33173	2.7
565.38263	2.3
575.36182	2.3
583.39581	1.4
621.41797	4.4
639.42529	16.3
657.43671	42.1
658.43414	1.5
675.45013	20.2
676.43585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03942	4.2
55.01875	10.0
55.05513	30.6
55.89582	0.6
57.03444	5.6
57.07080	2.4
59.04998	3.0
59.07698	0.8
64.91873	0.8
65.03941	4.0
66.57299	0.8
67.05510	55.4
69.03433	4.0
69.07074	22.9
71.04990	4.0
73.06561	3.9
75.04068	1.1
75.04489	15.2
77.03942	1.3
79.05497	55.0
81.03421	8.2
81.07062	100.0
82.07393	0.9
83.04988	17.6
83.08624	18.2
83.09127	1.0
85.02927	4.1
85.06544	6.4
87.04482	0.9
89.06042	10.9
91.05486	43.7
93.03395	1.0
93.07050	41.2
95.04977	26.0
95.08613	35.4
97.02901	2.1
97.06541	12.5
97.10172	12.1
99.04476	5.6
99.08101	2.7
101.06040	1.1
103.05478	1.4
105.04539	2.1
105.07037	42.4
106.07338	0.9
107.04961	12.0
107.07881	1.8
107.08605	31.9
109.06525	20.7
109.10158	19.6
111.04456	11.3
111.08098	8.2
113.06036	1.8
113.09701	0.8
115.05480	2.4
116.06248	0.9
117.07020	14.2
119.04974	1.4
119.08586	36.3
121.06516	11.2
121.10146	22.8
123.04490	1.1
123.08070	20.5
123.11710	5.6
125.06019	2.3
125.09637	12.1
128.06218	1.7
129.07021	7.6
130.07782	0.9
131.08582	21.9
133.06549	4.8
133.10139	22.9
135.04411	0.8
135.08063	9.6
135.11681	11.7
137.05959	0.8
137.09616	18.5
137.10599	1.4
137.13213	1.2
139.07573	1.6
139.11177	5.4
141.07034	2.5
142.07835	1.9
143.08582	9.5
144.09363	1.4
145.06500	2.0
145.10135	21.2
147.08052	9.2
147.11691	17.8
147.12810	1.3
149.09628	15.1
149.10745	1.1
149.13277	4.8
151.07579	0.8
151.11209	3.0
153.09088	4.6
153.12759	3.7
154.07759	0.9
155.08606	3.1
155.10722	2.5
156.09390	1.9
157.10107	6.8
159.08092	2.6
159.11693	11.8
161.06111	1.0
161.09641	6.9
161.13278	5.1
163.11189	21.1
163.14853	1.4
165.09106	6.3
165.12781	5.5
167.08621	1.4
167.10687	1.0
169.08936	0.7
169.10167	3.8
171.10269	1.6
171.11734	6.2
173.09627	4.4
173.13226	5.6
174.10362	0.9
175.11163	5.0
175.14915	1.5
177.12776	5.8
179.08772	0.8
179.10587	3.5
179.14386	2.1
181.12254	8.4
183.11758	2.8
185.09590	1.2
185.13347	2.4
187.11237	2.7
187.14853	1.6
189.11255	10.3
189.12834	3.3
191.10732	5.0
191.14342	1.6
193.12270	5.3
195.11720	1.7
195.13860	1.0
197.13264	2.1
199.11217	1.1
199.14925	2.0
201.12854	1.4
203.14377	3.8
205.12277	1.1
207.13916	0.8
209.11739	1.8
209.13463	0.9
213.12735	1.1
213.16492	1.3
215.14503	1.2
217.15947	1.0
219.13860	0.8
221.15366	8.0
223.13287	11.3
227.12721	7.6
227.17967	1.4
229.19580	2.8
233.15366	1.0
237.16632	1.3
239.18102	1.8
244.66096	0.8
245.19124	3.4
247.20604	3.4
249.14894	1.3
253.18004	40.0
255.17493	2.1
257.19043	5.3
259.20667	2.2
263.20273	1.7
267.16006	2.0
271.16797	1.1
273.18524	21.9
275.20090	41.2
276.20432	1.6
279.19522	1.4
283.15472	1.7
291.19562	40.7
293.21164	13.1
309.17474	1.0
309.20456	3.8
317.21332	0.8
337.23798	0.8
347.22232	9.3
349.23767	15.5
365.23236	21.2
367.24796	14.1
383.24283	2.7
429.12320	0.8
513.35760	3.3
519.33350	2.5
565.38586	1.2
621.41425	3.1
639.42578	11.4
657.43536	14.4
675.45190	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	675.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.9
55.01879	13.4
55.05516	42.4
57.03440	17.1
57.07078	3.2
58.71283	1.7
59.04979	3.7
61.02926	10.5
64.34623	1.7
65.03931	5.1
67.05508	81.1
69.03438	25.5
69.07072	34.1
71.01349	3.1
71.04996	12.4
73.02915	5.5
75.04495	10.1
79.05498	78.9
81.03426	61.8
81.07063	100.0
83.04989	24.4
83.08622	21.8
85.02912	18.3
85.06530	6.3
89.06017	3.8
91.03954	3.1
91.05487	71.2
93.07051	69.7
95.01324	2.1
95.04977	24.1
95.08615	45.8
97.02895	21.9
97.06536	16.0
97.10183	13.9
99.04474	8.8
99.08131	4.8
103.05470	2.7
105.04565	4.3
105.07040	68.8
107.04965	13.3
107.08600	41.8
109.02890	8.7
109.06530	21.9
109.10165	32.4
111.04456	5.2
111.08101	7.2
113.05981	2.2
113.09732	2.0
115.05499	4.7
117.07028	31.2
119.08588	51.1
121.06541	10.1
121.10156	27.1
123.08080	11.3
123.11702	5.9
123.18070	1.6
125.06001	2.7
125.09628	8.5
127.03924	10.0
128.06223	7.4
129.05470	6.0
129.07008	23.3
130.07732	2.5
131.08565	38.3
133.06490	6.0
133.10129	41.6
135.08092	11.9
135.11697	22.5
137.05891	2.0
137.09630	11.2
139.07568	2.2
139.11156	3.7
141.07010	7.9
142.07785	3.8
143.08575	25.0
144.09271	2.0
145.06474	4.7
145.10133	47.5
147.08044	8.0
147.11708	18.8
149.09608	14.5
149.13271	6.6
151.11180	8.0
153.07028	2.4
155.08540	12.6
156.09375	4.7
157.10146	20.5
159.08028	4.3
159.11705	23.0
161.09654	9.7
161.13223	10.9
163.07593	1.7
163.11159	14.3
163.14842	2.7
165.09151	4.2
167.08554	5.1
168.09422	2.8
169.10149	16.7
171.08022	3.2
171.11682	21.3
173.04474	26.1
173.09599	5.3
173.13240	14.2
175.11208	7.6
175.14882	2.9
177.12724	3.6
179.08643	2.1
181.10098	8.4
181.12225	6.9
182.38922	2.6
183.11711	15.8
185.09628	3.3
185.13266	13.8
187.11249	2.3
187.14824	7.3
189.11235	5.6
189.12755	4.4
191.10683	3.0
191.14333	3.2
193.10223	3.4
193.12123	2.5
195.11722	8.5
197.09599	1.7
197.13263	10.2
199.11221	3.1
199.14853	6.9
201.12820	1.9
201.16371	3.1
203.14377	1.9
205.10197	2.8
205.12215	2.6
207.11671	4.6
209.13297	6.7
211.14862	7.0
213.12593	1.9
213.16319	4.1
215.14369	2.5
219.17389	3.9
221.13390	2.0
221.15408	3.8
223.13037	2.4
223.14911	5.1
225.12840	2.3
227.12816	5.3
227.17952	2.6
227.20003	3.4
235.14888	2.8
237.16422	2.8
239.17926	3.2
241.19576	4.5
245.19063	3.7
248.64296	1.7
253.14406	6.0
253.17967	4.1
255.15967	5.5
257.19016	5.4
258.19409	2.2
259.20654	11.7
261.22147	4.6
273.18488	19.3
275.17340	2.6
275.20093	31.4
276.20407	2.1
277.21756	2.1
287.20395	2.0
289.17841	2.1
291.19553	25.3
293.20956	3.2
297.22079	2.8
307.18912	2.5
313.21722	3.6
333.24149	7.0
335.25958	3.5
347.22165	5.8
349.23956	10.7
365.23343	8.9
367.24561	3.2
399.23877	3.6
419.29260	2.0
421.31009	7.4
425.66068	1.9
439.31805	4.7
445.04498	1.8
445.29916	2.3
457.33453	2.3
489.35046	1.8
495.34732	4.4
501.35434	3.4
503.37167	5.7
511.34097	3.4
513.35822	94.6
514.36285	2.6
515.36560	2.9
525.35736	2.9
531.36597	7.2
534.18689	1.9
541.35431	2.2
555.36713	4.1
621.39624	5.7
639.41766	11.5
657.40808	12.1
675.40790	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66909	1.5
53.03935	8.7
53.90048	1.7
54.31646	1.8
55.01875	13.9
55.05511	65.7
57.03442	11.3
57.07079	5.0
57.18236	1.6
59.04990	5.8
65.03938	5.7
67.05505	78.4
69.03413	10.1
69.07071	32.7
71.05007	9.5
75.00032	3.4
75.04510	6.3
77.03899	2.2
79.05493	80.4
81.03424	8.6
81.07054	100.0
83.04985	12.2
83.08623	31.2
85.02908	4.0
85.06532	5.3
85.34938	2.0
91.05477	78.1
93.07046	64.3
95.04974	16.8
95.07984	2.7
95.08607	49.9
97.02892	3.8
97.06547	7.0
97.10168	44.3
98.20744	4.8
99.04453	2.7
99.08063	2.4
105.04535	2.1
105.07032	64.2
107.04967	5.9
107.08593	40.3
109.06511	15.9
109.10157	25.8
111.04436	1.8
111.08054	7.5
115.05457	6.3
117.01089	2.5
117.07014	38.7
119.08581	51.7
121.06484	6.8
121.10145	19.1
123.04441	2.1
123.08043	11.1
123.11733	5.4
124.99981	3.6
125.06020	2.2
125.09634	34.5
128.06235	6.0
129.07004	25.9
130.07767	4.2
130.98997	2.6
131.08568	43.8
133.06491	6.6
133.10129	36.9
135.08052	22.3
135.11687	13.2
137.09593	8.3
139.11118	2.2
141.07005	9.5
142.07785	7.0
143.08574	29.9
145.06471	5.5
145.10130	46.1
147.08049	5.8
147.11691	27.4
149.09605	7.5
149.13235	8.3
153.07013	4.0
153.09125	1.9
153.12698	2.1
155.08539	19.4
156.09325	3.4
157.10139	24.9
159.08084	6.9
159.11697	30.1
161.09610	8.9
161.13268	20.4
163.07536	5.1
163.11214	5.3
163.14798	2.9
165.09145	2.2
166.07788	3.0
167.08589	8.2
168.09276	4.1
169.10104	18.6
171.05757	2.2
171.08044	3.0
171.10266	2.9
171.11661	24.5
173.09631	4.3
173.13217	18.4
175.11200	2.5
175.14818	8.6
177.12732	2.4
178.07614	2.1
179.08588	5.3
179.10776	2.3
180.09415	2.3
181.10130	10.3
181.12128	2.7
183.08011	2.6
183.11662	19.2
184.07335	14.9
184.08850	2.3
184.12369	1.9
185.09674	4.2
185.13231	14.5
187.11200	4.7
187.14839	6.9
189.11264	20.3
189.12775	3.6
191.08595	2.2
192.09351	2.2
193.10120	5.1
194.10921	2.6
195.11665	12.6
197.09688	3.7
197.13237	12.3
199.11218	2.7
199.13135	1.9
199.14867	7.4
201.12766	4.8
201.16510	2.7
203.14369	2.4
205.10213	4.1
207.11667	7.6
207.13629	2.2
209.09557	2.7
209.13263	10.2
210.14125	2.0
211.11264	3.5
211.14856	6.7
213.12833	3.5
213.16411	5.0
215.14253	3.2
217.10219	2.0
219.11693	3.7
221.13277	3.0
223.14799	5.4
225.16435	4.4
227.12746	52.5
231.11581	2.3
231.21191	2.3
235.15024	4.5
237.16377	4.7
239.17941	5.7
241.19495	17.5
243.17578	2.3
245.13614	4.3
249.16489	2.4
251.18063	2.5
253.15813	2.3
253.19582	3.1
257.19019	10.8
259.20581	37.0
263.17999	2.4
265.19705	2.0
267.21109	1.9
271.17148	2.3
271.20572	7.6
273.18488	7.4
275.20016	8.1
285.22003	3.1
289.18054	8.1
291.19617	6.3
297.18600	2.3
313.21722	3.5
315.23395	3.6
325.21582	2.8
329.21152	3.3
331.22629	5.7
333.24271	23.4
335.25848	2.6
347.22165	2.2
351.23489	2.5
353.25156	2.1
377.28445	8.6
379.26294	3.6
393.27689	1.9
395.29459	15.2
399.19382	25.6
399.24393	3.1
401.20969	2.2
421.30988	3.5
431.27075	24.5
446.91971	2.0
495.34424	2.3
497.32620	2.5
501.37216	2.3
511.35449	2.8
513.35773	20.3
515.33691	10.3
529.36298	5.5
547.37488	7.2
565.39215	15.5
567.36041	2.9
583.35675	2.7
601.36139	6.9
603.40332	5.4
621.41498	83.2
639.42761	26.6
657.39063	55.8
658.39673	2.5
675.39941	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
54.17475	1.2
55.01880	2.0
55.05508	9.1
57.03432	4.5
57.07071	2.5
61.02930	19.8
65.81548	0.9
67.05505	25.4
69.03436	5.1
69.07078	10.1
70.06577	3.5
71.04981	2.2
73.02925	7.4
79.05498	31.1
81.03415	6.9
81.06587	1.8
81.07057	29.2
83.04974	3.2
83.08623	5.6
84.08135	2.1
85.02911	22.7
85.06551	2.5
86.09728	2.4
91.03957	14.7
91.05481	34.0
93.07049	37.1
93.07639	1.9
95.04958	5.2
95.08612	19.8
97.02889	12.6
97.06555	5.3
97.10187	2.4
99.04434	1.8
99.08062	1.6
105.07039	31.7
107.04973	2.8
107.08611	21.9
109.02832	1.2
109.06506	4.5
109.10154	8.3
111.04433	1.4
113.09645	1.7
117.07024	11.4
118.60226	0.9
119.08589	30.9
121.06483	2.9
121.10143	17.3
123.04456	1.0
123.08066	2.8
123.11678	1.7
125.05959	0.9
125.09645	2.0
127.03945	5.0
128.06177	1.6
129.07034	10.0
129.10188	1.1
131.08575	20.5
133.06488	2.9
133.10139	26.2
135.08076	2.6
135.11694	15.8
135.12698	1.3
137.09607	1.6
137.17172	1.0
139.71413	1.0
141.06964	2.6
143.08577	8.5
145.04970	6.2
145.10117	14.5
147.08037	2.3
147.10524	1.4
147.11694	23.7
149.09613	3.1
149.13277	10.3
151.11140	1.5
155.08536	3.8
157.06706	1.0
157.10120	8.4
159.08046	1.6
159.11693	12.9
161.09596	3.7
161.13258	20.4
163.06027	8.1
163.11208	3.7
163.14845	3.0
169.10162	3.3
171.08055	1.3
171.11684	13.2
173.13232	10.1
175.11185	2.2
175.14827	13.1
177.12726	2.5
178.03412	1.0
181.10120	1.9
183.11661	1.5
184.07341	2.4
185.09622	1.5
185.13281	8.7
187.14851	3.9
189.12798	3.2
195.11693	1.7
197.13297	2.9
199.14842	5.2
201.08780	1.1
203.14427	1.5
213.16321	1.7
217.19489	1.9
231.21065	3.3
239.96220	1.1
241.19521	17.9
259.20590	49.9
275.20026	3.1
277.21579	3.0
283.20410	2.0
291.19321	1.4
301.21555	2.3
321.22418	1.3
325.21603	1.6
333.24323	3.9
339.23145	1.4
349.23434	3.6
351.25305	100.0
352.25574	1.9
354.13898	1.2
363.25232	3.2
367.22635	2.9
375.25327	4.5
385.23813	1.7
387.25082	1.4
393.26428	2.4
403.25034	1.9
417.26407	4.5
429.26276	2.0
435.27234	1.3
441.26370	8.4
459.27405	9.1
460.27603	1.3
477.28558	7.8
495.29636	10.8
513.30408	1.5
569.45282	1.2
603.32434	1.1
639.43018	1.3
657.34296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01875	5.2
55.05267	1.6
55.05513	15.0
57.03444	7.5
57.07069	2.6
61.02925	18.3
65.03935	1.4
67.05508	35.4
69.03435	5.4
69.07076	12.8
70.06594	1.7
70.77827	1.4
70.78162	1.7
71.04967	2.9
73.02921	6.5
74.96954	0.9
75.95123	0.9
79.05499	37.3
81.03412	7.3
81.07061	47.8
83.04980	5.8
83.08623	7.7
84.08165	1.7
85.02911	17.2
85.06532	3.6
86.09693	1.7
91.03961	13.9
91.04915	1.3
91.05485	35.3
93.07048	46.3
95.01273	1.1
95.04977	7.4
95.08609	27.0
97.02884	10.3
97.06528	4.3
97.10161	4.6
99.04449	1.4
99.08072	3.1
101.02393	1.9
101.16823	1.2
103.05476	1.7
105.04517	1.9
105.07034	36.3
107.04948	3.8
107.07880	2.0
107.08601	31.6
109.06527	6.3
109.10179	10.4
111.04449	3.2
111.08081	2.4
113.09646	1.2
117.07017	13.1
119.08587	32.5
121.06517	3.7
121.09322	2.1
121.10144	23.8
123.04415	1.9
123.08060	6.9
123.11694	3.4
125.09628	3.6
127.03923	4.0
128.06221	1.3
129.07011	8.5
131.08569	18.0
133.06544	1.6
133.10141	26.5
135.08035	3.8
135.11690	18.6
137.09573	2.7
141.07007	1.4
142.07777	2.4
143.08575	9.5
145.04974	6.6
145.06459	1.6
145.10141	17.6
147.08029	3.5
147.11697	24.0
149.09622	4.7
149.13263	11.3
151.07507	1.1
153.12732	2.5
155.08568	2.5
157.06509	1.2
157.10136	7.8
159.11707	14.0
161.09615	4.1
161.13274	20.3
161.14511	0.7
163.06053	5.0
163.11183	4.3
163.14790	6.0
165.12727	1.9
169.10112	3.8
171.11719	11.6
173.13272	8.3
175.11183	4.0
175.14857	12.2
177.12779	2.4
181.10098	2.2
181.12178	1.9
183.11723	2.3
184.07358	2.9
185.13254	9.8
187.11102	1.4
187.14816	3.6
189.11247	3.0
189.12793	2.3
191.10625	1.6
191.14366	1.7
197.09633	1.3
197.13219	2.3
199.14758	6.0
203.14319	1.7
213.12718	1.4
213.16345	2.5
215.14368	1.6
215.17909	1.3
217.19524	3.5
223.11128	1.4
223.13220	1.7
227.12714	2.2
231.21126	5.4
241.19518	21.4
257.19077	2.1
259.20593	42.2
261.22113	1.9
271.20639	2.2
273.18463	3.6
273.21857	1.1
275.20114	9.8
277.21686	7.9
283.20456	1.4
291.19583	9.1
293.20947	1.1
301.21603	3.1
309.20700	1.5
313.21634	1.3
315.22925	1.8
333.24219	9.0
347.22177	1.9
349.24194	6.7
351.25308	100.0
352.25592	1.5
361.23898	1.1
363.25275	2.9
365.23169	3.9
367.22629	2.3
375.25211	4.5
383.24161	1.4
385.23572	2.2
387.25293	2.5
399.25360	1.5
403.24725	2.0
405.26587	1.5
417.26358	3.2
423.25201	1.5
429.26224	2.5
441.26382	12.7
459.27304	7.8
477.28525	8.1
495.29510	13.1
639.42371	2.0
657.43323	2.9
675.44318	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	675.267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42389	0.6
56.05019	0.9
65.03936	0.9
67.05494	2.0
67.08398	0.5
69.03426	0.9
69.07058	1.6
69.24927	4.2
70.02956	0.8
70.06600	11.1
72.08150	3.8
72.62135	0.5
74.06071	1.3
74.69701	0.5
79.05449	0.7
81.07011	0.7
83.06083	0.8
84.04505	4.9
84.08149	14.4
85.02909	1.4
86.09716	13.0
87.10052	0.8
88.03998	0.9
90.29437	0.6
91.05488	1.4
94.06586	2.7
99.04490	0.6
101.07148	0.7
102.05557	1.6
103.05466	0.8
108.08121	0.9
110.06082	1.1
110.07165	1.6
112.08736	0.9
113.07222	0.7
116.04979	0.9
118.06575	0.9
119.04954	0.8
120.04469	1.6
120.08098	5.1
121.08408	0.6
122.06041	35.7
127.03903	1.4
129.10260	6.7
130.05049	0.6
130.06532	1.3
130.10649	0.5
134.06058	1.1
136.07558	3.0
137.06030	0.7
138.05600	0.6
138.09198	1.5
142.60109	0.7
143.11804	1.3
146.06021	9.3
147.06766	1.4
148.06099	1.0
148.07585	2.0
159.09155	1.2
160.07632	0.8
164.07047	0.6
166.05055	1.3
171.11411	0.7
174.09192	1.0
178.05009	1.7
182.09691	0.7
183.09241	0.6
184.10040	0.6
190.05009	2.4
195.09258	0.7
198.09250	0.8
199.08742	1.0
204.06570	1.1
209.10796	2.3
210.11505	1.4
211.08714	2.3
211.12360	1.6
212.10924	1.0
213.10304	0.8
214.10974	0.7
223.08675	1.9
223.12320	2.0
224.13203	0.8
225.06825	0.6
225.10326	3.2
225.13991	0.6
227.08286	0.9
227.11847	1.9
228.10170	1.0
235.08665	1.7
236.09444	0.8
237.10248	5.6
238.11064	1.4
239.08072	0.9
239.11804	4.5
240.10138	1.6
240.12485	1.3
241.13387	1.0
242.10573	2.1
248.09447	0.5
249.10225	1.4
251.08015	1.3
251.11844	3.8
252.12640	1.7
253.09657	1.5
253.13428	2.0
255.11302	3.3
257.12790	1.0
258.10968	0.7
263.08093	0.6
265.09818	1.3
266.10406	0.9
268.09659	0.6
269.09238	1.2
269.12759	0.9
270.10223	1.0
277.09766	1.9
279.11328	1.7
280.12048	7.2
281.09668	1.0
281.12842	9.2
283.10748	4.9
285.12448	1.6
297.09012	1.3
297.12405	2.3
299.10638	1.2
299.13858	4.7
301.11847	6.7
305.09033	0.7
307.10852	0.8
310.09622	1.0
313.12106	1.0
314.12869	1.6
315.09723	1.2
315.13730	1.7
323.10294	1.2
325.11847	40.3
326.12396	1.6
327.10037	1.2
327.13815	1.4
328.10944	1.0
328.14572	2.1
340.10950	0.6
341.11575	1.1
342.12323	1.3
343.12952	25.6
344.13797	1.2
354.12357	1.5
355.13257	0.8
356.14023	1.7
360.13318	0.6
368.13919	0.7
370.15543	0.9
376.16663	3.9
383.12939	0.7
388.16797	1.3
398.15222	1.0
400.16589	1.0
414.18018	1.0
416.16083	2.1
418.17786	2.8
434.17169	6.8
435.18225	0.7
436.19327	1.5
442.17636	1.0
479.20633	0.9
480.21741	1.2
493.22723	3.5
495.23969	2.1
508.21106	6.8
509.22278	1.3
517.22253	1.2
521.21844	2.6
535.23663	1.4
537.25055	11.4
538.23950	0.8
539.23083	1.3
553.24597	1.9
563.22772	9.5
564.22632	0.9
581.23969	100.0
582.24335	5.0
599.25146	3.7
607.21912	2.5
625.22717	2.5
696.38531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.1
55.05517	10.5
56.05841	0.6
57.03438	3.1
57.07080	34.1
58.03787	0.5
59.05001	1.3
65.03944	1.0
67.05506	13.5
68.05835	1.0
69.03428	1.3
69.07072	8.0
69.22722	4.6
71.01358	0.5
71.08635	24.8
73.06560	10.6
79.05498	10.4
80.05827	1.3
81.03426	2.0
81.07058	13.5
82.07405	1.3
83.04983	2.3
83.08617	4.8
85.06549	0.7
85.10189	20.5
86.09696	0.7
87.04468	9.2
89.06035	100.0
91.04964	1.0
91.05483	9.1
91.07607	0.6
92.05794	1.3
93.07043	9.3
94.07358	0.9
95.04970	4.4
95.08614	8.2
97.02888	0.7
97.06530	5.0
97.10170	9.3
98.06864	0.7
99.11755	4.1
103.05512	0.6
105.07035	8.4
106.07360	1.4
107.04965	4.5
107.07088	1.4
107.08593	8.3
108.05319	0.9
108.08955	0.6
109.06535	2.4
109.10149	2.9
111.04453	1.0
111.08100	0.7
111.11734	0.6
113.06018	0.9
113.13269	1.5
113.83112	0.5
115.05488	1.0
115.71551	0.5
117.07036	2.9
117.08314	0.5
117.09138	9.4
118.07391	0.6
119.08582	4.6
120.08971	0.9
121.06511	1.0
121.10152	3.8
121.75801	0.5
123.08109	1.1
123.11730	1.7
125.00008	0.7
125.09637	3.5
129.07101	0.9
129.99544	0.5
130.08661	2.2
131.07043	2.8
131.08560	4.8
132.08908	0.8
133.08609	54.4
133.10059	4.0
134.10477	0.9
135.08128	1.3
135.10173	1.2
135.11702	2.9
143.08595	0.7
143.10744	0.6
145.10159	2.9
146.10448	0.7
147.08107	1.6
147.11705	2.8
148.12012	0.6
149.09644	2.3
149.13290	1.7
151.11142	0.6
155.08536	0.7
155.17932	4.3
157.10165	1.4
159.10304	0.5
159.11734	2.1
161.09628	1.4
161.11743	3.2
161.13210	1.1
163.11179	0.9
169.10236	0.8
171.11757	1.2
173.13333	1.7
175.09756	2.5
175.11206	0.7
175.14906	0.7
177.11247	23.8
177.12653	1.2
184.07362	1.5
187.14825	0.6
190.27951	0.5
197.13219	0.6
199.20570	4.6
215.12732	0.8
217.14343	9.6
219.12402	0.5
221.13853	5.2
223.15524	0.7
233.15466	1.1
239.14900	0.7
240.23096	1.1
243.21051	0.9
243.23225	11.7
243.25537	1.0
261.22147	3.3
265.16510	1.2
273.18594	1.7
275.20020	3.7
276.20309	3.5
283.17642	1.8
287.25787	7.7
291.19498	0.9
309.19293	1.2
327.19965	0.9
335.25876	11.6
336.26352	0.6
337.21866	0.5
347.22293	1.1
349.23914	1.6
350.24240	1.5
353.21982	0.9
353.27097	0.9
364.21957	0.6
381.22949	1.1
382.23254	0.9
385.31058	0.6
403.32062	1.4
459.28006	0.7
477.35782	11.0
503.30591	2.3
654.38898	0.6
656.42249	1.6
657.48090	8.0
674.51355	6.1
674.90228	0.6
675.40076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
51.70524	0.8
53.03949	5.6
55.01630	1.5
55.01876	17.4
55.05516	33.5
57.03439	8.1
57.07079	2.0
59.04993	1.2
60.11368	0.7
64.68643	0.8
65.03939	4.4
67.05508	47.5
69.03438	5.2
69.07075	22.2
70.06573	1.8
71.04997	5.6
71.53025	1.2
77.03899	0.9
79.05499	54.8
81.03419	14.8
81.07064	100.0
82.07377	0.9
83.04986	20.4
83.08148	1.5
83.08623	19.5
85.02906	6.3
85.06547	3.0
86.09711	1.2
91.05489	38.4
93.07051	40.1
93.07643	1.9
94.04221	1.0
95.04978	24.1
95.08617	24.9
97.02889	3.7
97.06538	11.9
97.10180	20.4
99.04456	4.0
99.08089	3.1
103.05475	2.1
105.07039	33.0
107.04970	14.2
107.08599	27.1
109.02895	1.4
109.06528	14.7
109.09465	1.4
109.10163	16.1
111.04454	22.4
111.08083	10.6
115.05501	2.2
116.06239	1.0
117.07033	18.0
119.04914	2.2
119.08589	34.2
120.08134	1.4
121.05682	0.9
121.06518	14.1
121.10155	16.0
123.04443	1.9
123.08074	31.6
123.11717	2.3
125.05977	1.9
125.09638	19.7
127.03931	1.0
128.06206	3.1
129.07016	9.5
129.10217	1.0
130.07761	2.2
131.08577	20.7
132.05716	1.3
133.06487	4.6
133.10138	13.6
135.04381	1.2
135.08058	10.7
135.11702	12.4
137.05994	1.2
137.09625	8.0
139.07529	1.3
139.11185	1.6
141.07001	2.7
142.07773	2.2
143.08578	11.4
143.10670	1.6
145.06511	5.1
145.10127	23.7
147.08063	16.1
147.11681	7.5
149.06021	1.1
149.09628	8.9
149.13234	2.1
151.07524	1.4
151.11220	1.2
153.09113	3.7
153.12750	9.3
154.07753	1.1
155.08577	4.3
155.10564	1.0
157.06512	1.3
157.10135	7.8
159.08069	5.3
159.11719	8.2
161.09641	13.1
161.13264	1.9
163.07538	1.1
163.11186	21.4
165.09064	5.3
165.12807	1.5
167.08562	1.0
169.10121	2.9
171.08031	1.2
171.10213	2.3
171.11697	4.6
173.09630	5.6
173.13260	2.9
175.11212	6.4
175.14828	0.9
177.12752	2.8
179.10570	1.4
181.10150	3.6
181.12259	10.3
183.11671	2.2
185.09624	2.9
185.13287	3.4
187.11224	2.5
187.14906	1.3
189.09424	1.2
189.11244	16.6
189.12794	2.6
191.10669	9.4
191.14284	1.1
193.10359	1.0
193.12250	4.4
195.11685	1.9
197.09532	1.1
197.13185	1.8
199.11192	2.9
199.14899	1.7
201.12781	1.0
201.16359	1.2
203.14241	1.8
205.12245	2.3
207.11566	1.2
207.13680	1.7
209.11653	2.1
209.13451	0.9
213.12749	1.5
213.16449	1.3
215.14334	0.9
221.13387	1.1
221.15367	1.4
223.13254	9.2
227.12793	21.5
227.17920	2.6
231.13809	1.4
237.14624	1.0
243.17622	1.7
245.19061	5.9
249.14861	2.6
255.17514	5.4
257.18817	0.9
263.20026	2.0
271.17017	1.4
272.07709	0.9
273.15485	2.1
273.18506	52.9
275.20178	6.3
283.15414	6.0
291.19565	77.8
303.19360	1.1
307.18988	0.9
309.20682	5.2
311.20200	1.5
318.30081	1.8
329.21124	2.9
347.22180	19.7
349.23746	2.5
356.87097	0.9
363.21475	1.0
365.23254	35.2
377.24158	1.0
383.24380	4.5
393.27744	0.9
483.31387	1.3
527.34167	1.7
531.32898	1.2
535.32886	1.2
539.33588	1.3
545.36023	2.0
557.34674	2.3
563.37402	2.1
573.34180	1.1
581.38062	1.6
619.40082	2.1
637.41040	9.2
655.42096	26.4
673.43164	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	673.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.00305	1.7
53.03954	6.3
55.01876	22.6
55.05515	52.1
57.03442	8.1
57.07085	1.1
59.05000	1.7
65.03941	4.6
66.04729	0.8
67.05508	57.8
69.03439	7.7
69.07071	36.3
69.23937	7.6
71.05000	8.6
77.03947	1.5
78.08127	0.7
79.05496	66.6
81.03420	12.2
81.07060	67.2
83.04983	23.4
83.08621	34.5
83.09129	1.7
83.19790	0.8
85.02908	7.9
85.06556	4.2
91.05482	57.0
93.07047	59.7
95.01335	0.9
95.04973	71.2
95.08609	28.7
97.02887	3.9
97.06544	12.1
97.10172	22.2
99.00848	4.7
99.04457	11.5
99.08119	2.8
103.05500	3.1
105.04526	1.9
105.07036	47.9
106.34621	0.8
107.04961	22.2
107.08600	53.0
109.02894	6.9
109.06535	16.5
109.10166	17.7
111.04449	21.6
111.08092	10.2
113.06022	1.8
113.09678	0.8
115.05420	4.1
115.19321	0.8
116.06227	0.8
117.07023	21.4
118.07892	0.8
119.04925	1.5
119.06091	1.1
119.08582	34.0
121.02875	0.8
121.06513	15.3
121.10149	23.1
121.11021	1.4
123.04436	5.5
123.08073	9.8
123.11719	4.4
125.06042	2.9
125.09630	20.4
127.03935	1.1
128.06241	3.7
129.06996	7.6
130.07834	1.1
131.04875	1.0
131.08565	20.0
133.06512	4.9
133.10138	26.6
133.11089	1.6
135.04501	1.2
135.08061	22.8
135.11700	12.8
137.05997	1.8
137.09631	7.0
139.01698	0.9
139.07469	1.7
139.11176	4.0
141.07014	3.7
142.07823	1.1
143.08585	11.3
143.10645	1.0
145.06512	6.7
145.10124	24.7
147.08046	10.1
147.11696	12.6
149.06000	0.9
149.09628	31.1
149.13289	2.9
151.07578	1.3
151.11191	4.9
153.07036	1.1
153.09090	4.3
153.12769	3.9
154.07762	1.1
155.08603	4.0
157.06552	1.5
157.10130	6.2
159.08049	7.2
159.11702	9.8
161.09634	11.6
161.13271	4.3
163.07567	10.1
163.11185	27.2
165.09236	1.8
165.12808	3.2
167.08618	1.0
167.10710	1.4
169.10181	3.7
171.08107	1.4
171.10260	1.9
171.11725	4.0
173.09612	5.4
173.11781	2.3
173.13316	4.8
175.11113	4.4
177.09186	1.3
177.12802	4.0
179.10660	6.0
181.10260	1.1
181.12233	4.1
183.11787	3.0
185.09636	1.4
185.13304	2.3
187.11198	5.2
187.14839	1.7
189.09230	2.9
189.11223	19.8
191.10609	4.0
193.10519	0.8
193.12256	18.5
193.13889	1.3
194.12753	0.8
195.11719	0.9
197.11713	0.9
197.13283	1.9
199.14835	1.1
201.12814	2.0
205.12265	5.4
207.13765	1.1
209.11778	1.4
211.13246	2.0
211.14940	1.7
215.14415	0.9
219.13789	1.5
223.13300	64.1
225.11214	1.4
225.16524	1.1
227.12743	8.0
229.19589	2.6
233.15509	1.9
233.19115	1.4
239.17963	3.8
243.17520	3.6
247.20712	2.4
253.16031	1.7
257.19052	8.8
261.18536	5.9
270.83902	1.1
271.17038	7.7
273.18567	2.9
275.20074	71.2
276.20416	1.6
279.19739	2.0
283.15561	1.1
289.17987	27.8
291.19641	3.4
293.21121	42.3
301.21457	1.1
307.19168	7.5
311.22357	2.5
331.22815	2.0
345.20929	1.6
347.22150	1.7
349.23779	18.5
359.87067	0.9
363.21561	13.3
365.23367	1.2
367.24814	4.7
381.22797	10.0
545.35889	1.4
559.36548	1.0
575.35248	1.2
581.38483	1.4
637.41162	5.0
655.42175	16.9
673.43158	100.0
674.43195	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	673.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03946	4.1
55.01600	0.6
55.01870	14.9
55.05511	32.4
57.03442	6.8
57.07080	1.9
59.04996	1.1
65.03934	4.3
66.04716	0.6
67.05504	46.8
69.03428	4.8
69.07066	17.6
71.04989	4.4
73.02907	0.5
77.03934	0.9
79.05492	51.7
81.03419	12.6
81.07055	100.0
82.07382	0.4
83.04981	21.7
83.08617	17.8
83.09124	0.7
85.02908	6.4
85.06548	2.4
88.07652	0.5
91.05479	35.3
93.03400	0.7
93.07043	35.9
94.04182	0.7
95.04970	23.3
95.08606	22.1
97.02891	1.1
97.06528	11.2
97.10168	21.7
98.21552	0.6
99.04453	4.0
99.08076	2.7
100.56114	0.4
101.02345	0.4
103.05469	2.0
104.06244	0.5
105.03387	0.8
105.04511	1.5
105.07030	29.7
107.01729	0.4
107.04958	14.1
107.08593	24.7
109.02876	0.8
109.06512	14.3
109.10156	15.7
111.04441	20.4
111.08082	10.0
113.05991	1.1
115.05451	3.1
116.06216	0.8
117.07017	17.1
119.04958	1.8
119.08580	31.7
120.05742	0.6
121.06503	12.6
121.10139	14.8
123.04438	1.8
123.08065	28.8
123.11707	1.9
125.06004	1.7
125.09628	19.0
125.10551	0.5
127.07582	0.5
128.06218	3.0
129.05508	0.6
129.07004	9.7
130.07802	1.8
131.04915	1.3
131.07594	1.0
131.08566	16.2
132.05696	1.2
133.06525	4.7
133.10123	11.2
134.07219	0.5
135.08058	9.8
135.11684	11.3
137.06009	0.8
137.09613	7.1
139.07544	1.1
139.11159	1.5
141.06999	2.0
142.07747	1.2
143.08565	9.9
143.10623	0.9
144.05711	0.6
145.06503	3.9
145.10121	18.4
146.07260	0.6
147.08052	13.6
147.11670	7.4
149.02359	0.5
149.06010	0.8
149.09630	8.4
149.13248	2.0
151.07542	1.4
151.11217	1.2
153.09090	3.8
153.12744	10.4
154.07817	0.5
155.08539	4.4
155.10689	0.4
156.09378	0.6
157.06485	1.4
157.10133	8.0
159.08054	3.7
159.11690	7.5
160.08835	0.5
161.09615	13.2
161.13297	1.6
163.07564	0.9
163.11168	20.4
165.07013	0.7
165.09109	5.7
165.12787	1.0
166.07843	0.5
167.08568	1.8
168.09357	0.5
169.10109	3.3
171.08051	1.1
171.10187	3.0
171.11717	5.2
173.06007	0.5
173.09625	5.9
173.11166	0.4
173.11813	0.9
173.13110	2.4
175.11166	5.7
175.14836	1.2
177.09100	0.8
177.12718	3.4
179.08557	0.7
179.10690	0.8
181.10176	1.2
181.12227	10.8
183.08040	1.0
183.10248	0.7
183.11678	3.0
184.82254	0.4
185.09676	2.0
185.13210	2.8
187.11134	2.2
187.14835	1.5
189.09392	0.9
189.11221	16.5
189.12746	1.8
191.10643	7.3
191.14337	1.1
193.04987	0.4
193.10345	0.6
193.12228	5.0
195.08095	0.7
195.11732	1.9
195.13454	0.5
197.09607	0.6
197.13324	1.0
199.11205	2.4
199.14853	1.6
201.12764	1.6
201.16484	0.6
203.10722	1.0
203.14333	0.9
205.12190	2.1
207.11659	0.5
209.11528	2.7
209.13351	1.8
211.11320	0.7
211.13147	0.6
211.14937	0.8
213.12733	1.5
213.16426	1.4
215.14375	1.1
217.15866	0.7
219.13852	1.4
221.11751	0.7
223.11234	0.7
223.13235	8.5
225.12871	0.5
225.16493	1.0
227.12746	19.5
227.17784	2.9
231.13872	0.8
231.17415	0.6
235.14977	0.5
237.16438	1.5
243.17561	0.9
245.13701	0.8
245.18991	5.3
247.20555	0.5
249.14795	2.5
255.17471	5.0
257.18988	0.5
261.18591	0.6
263.20108	1.8
267.15814	0.5
271.16934	1.7
273.18491	55.6
274.18896	0.8
275.20053	4.1
283.15341	5.8
285.18546	0.9
285.21677	0.5
287.20114	0.6
289.17984	2.1
291.19534	84.2
292.19913	1.4
299.20044	0.9
301.21481	0.7
303.19635	0.6
309.20599	5.0
311.20154	1.1
319.23212	0.5
327.19662	0.5
329.21069	3.0
347.22171	19.2
349.23737	1.8
360.07010	0.5
363.21780	1.2
365.23224	38.5
366.23438	0.5
371.25772	0.6
381.22903	0.7
383.24313	5.4
393.27823	1.3
395.25977	0.5
397.27753	0.4
411.28833	0.8
413.26938	0.6
425.26855	0.7
449.30566	0.5
453.30405	0.4
465.30112	0.7
467.31512	0.6
469.29788	0.6
475.29538	0.4
483.31082	1.0
485.32693	0.5
513.31793	0.8
517.31317	1.0
527.34161	1.5
529.34949	1.2
531.33136	1.5
535.32715	1.5
539.33655	1.4
541.35748	0.5
545.35577	2.1
555.33020	0.5
557.34717	2.9
559.35205	0.6
563.37189	2.8
573.34290	1.3
581.38196	2.6
591.34973	1.2
599.39319	0.9
619.39905	1.5
637.40887	9.9
638.41766	0.5
655.42053	25.3
656.41632	0.7
673.43097	21.0
674.35175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	1.5
53.03956	10.1
55.01878	5.4
55.05514	24.8
57.03435	8.2
57.07078	3.4
57.33912	0.9
59.17243	0.9
61.61992	1.0
65.03962	5.3
67.05511	82.0
68.75568	0.9
68.86671	0.9
69.03436	39.3
69.07074	25.3
69.82485	5.3
71.05000	7.3
71.08642	1.5
79.05502	67.6
79.64721	1.0
81.03431	28.6
81.07066	100.0
82.07401	1.0
83.04999	10.3
83.08629	16.9
83.52922	1.0
85.02912	5.4
85.06560	3.5
89.06059	1.3
91.04900	2.2
91.05489	60.7
93.07054	65.1
95.04981	15.7
95.08614	45.4
97.02900	7.1
97.06541	9.9
97.10211	2.8
99.04466	3.9
99.08115	3.3
103.05482	2.6
103.08043	1.1
105.04550	3.3
105.07043	41.8
107.02585	1.2
107.04942	7.7
107.08607	46.4
109.02899	5.6
109.06517	7.6
109.10159	15.2
111.04447	7.0
111.08128	4.6
113.06012	2.3
115.05479	3.2
116.06249	1.3
117.07023	26.3
119.04961	1.8
119.08595	29.2
121.06531	7.6
121.10159	25.3
123.04446	2.3
123.08118	6.1
123.11718	9.1
125.09656	4.3
127.03951	4.8
127.07603	1.3
128.06235	3.5
129.05551	2.2
129.07024	12.8
130.07814	1.4
131.04956	2.4
131.08586	33.5
131.09532	1.9
131.76825	1.1
133.06541	3.6
133.10143	23.3
135.08076	7.1
135.11714	16.7
137.05995	2.4
137.09660	3.5
141.07062	4.0
142.07813	1.5
143.08578	11.5
145.06546	4.5
145.10143	18.0
147.08037	5.0
147.11707	13.7
149.06064	2.6
149.09645	4.7
149.13281	18.3
151.11250	2.0
154.07835	1.4
155.08562	7.1
157.06456	1.2
157.10161	10.0
159.08110	2.9
159.11705	19.6
161.06122	1.3
161.09683	4.0
161.13229	6.2
163.11246	2.6
163.14844	1.9
165.09206	1.9
165.12811	4.8
167.08582	2.6
169.10155	7.7
171.08087	2.0
171.11696	8.2
173.09692	3.9
173.13293	8.5
175.11269	3.5
175.14801	2.3
177.12721	6.9
179.10793	1.9
181.08714	1.7
181.10242	3.7
183.08093	1.1
183.11705	5.0
185.09671	2.6
185.13321	4.2
187.11169	2.5
187.14937	3.8
189.09221	1.1
189.12825	1.6
193.12302	1.5
195.11816	3.8
195.13890	10.2
197.09732	1.2
197.13327	5.0
197.32957	0.9
199.11310	2.9
199.14909	3.5
201.12781	2.6
201.16541	1.4
203.10851	1.1
203.14328	1.2
205.15941	1.8
207.13815	1.7
209.13332	3.5
211.14874	2.4
213.12819	2.3
213.14900	3.3
215.14395	2.4
219.13834	1.2
221.13263	1.5
223.14964	1.6
225.12778	1.4
227.14426	1.2
231.13908	2.0
233.15401	3.1
247.17070	1.4
249.14903	1.6
255.17557	1.2
257.15515	1.9
259.20670	3.6
261.14880	1.8
261.22247	4.0
267.16003	2.2
269.17508	21.7
269.20209	1.6
273.22137	1.1
275.20294	2.6
277.21661	2.8
285.22031	1.6
287.20142	1.4
289.18179	1.9
289.21735	2.5
297.16931	1.4
301.21625	6.3
303.16040	2.3
303.23392	1.3
315.23300	2.3
319.22760	3.0
321.16974	2.0
327.23251	3.5
335.25848	3.9
339.18170	4.7
341.24933	3.1
345.24292	3.3
351.23175	5.9
353.24887	1.5
357.24503	1.6
369.24280	13.5
375.25449	2.4
385.23734	1.2
387.25381	6.4
393.26349	1.3
395.20804	4.8
397.61594	1.1
405.26599	3.7
425.26929	1.5
443.28189	4.4
445.29480	1.3
461.29117	9.1
529.39093	4.7
532.40625	2.0
585.61456	1.1
599.39679	2.1
625.41980	1.1
637.40924	9.5
647.81732	1.2
655.42169	12.2
673.43164	65.5
674.43561	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	672.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
57.07082	29.7
59.05000	0.9
65.72131	0.3
67.05512	1.2
69.07082	4.1
71.08639	30.3
73.02931	0.7
73.06171	0.8
73.06561	8.5
76.39083	0.4
77.64980	0.4
79.05503	0.7
81.07037	1.0
83.08626	4.5
85.10189	18.9
87.04482	9.2
89.06038	100.0
91.05465	0.6
91.07580	0.9
92.12201	0.4
93.07021	0.5
95.08614	0.6
97.10185	4.7
99.11745	3.2
103.28737	0.4
107.07053	1.7
107.08615	0.5
111.11726	3.4
112.75436	0.4
113.13281	1.7
117.06967	0.6
117.09149	7.9
119.08556	0.4
125.13270	2.2
127.14847	1.5
130.08647	3.1
130.36540	0.4
131.07053	2.6
133.08614	53.6
135.10118	1.0
139.14839	0.5
141.16373	1.2
161.11725	1.6
175.09677	2.0
177.11237	22.5
184.07477	0.5
197.22662	2.1
215.59586	0.4
218.67468	0.4
219.12367	0.6
221.13878	5.7
229.99211	0.6
239.14810	0.9
241.25250	2.5
265.16483	1.7
283.17529	2.1
285.27896	8.7
309.19009	1.1
327.20242	0.5
329.30524	5.5
352.09235	0.4
371.22760	1.0
395.50330	0.4
415.25314	0.7
428.42380	0.4
459.27930	4.7
523.41797	0.7
537.34961	0.5
611.46899	0.6
655.49933	7.7
672.52795	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	673.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.8
55.01878	4.0
55.05518	27.1
55.75486	1.7
57.03439	7.4
57.07067	1.6
62.40478	1.7
65.03949	7.6
67.05512	91.2
69.03442	40.4
69.07072	31.0
69.07421	2.6
69.64287	3.7
69.64696	6.9
71.04993	7.4
77.03951	1.7
79.05503	65.5
81.03421	33.4
81.07066	100.0
83.04993	13.3
83.08635	17.1
85.02924	3.7
85.06577	6.0
85.11556	1.7
89.06039	4.1
91.05495	59.7
93.07057	79.4
95.04984	19.3
95.08620	50.6
97.02924	6.1
97.06542	12.0
97.10181	6.2
98.20801	3.1
99.04439	2.0
103.05488	2.8
105.07044	48.6
107.04985	6.1
107.08614	42.0
109.02898	4.7
109.06543	7.1
109.10165	16.7
110.52825	1.7
111.04453	8.1
111.08121	5.8
115.05480	5.0
117.07037	26.0
119.08601	30.8
119.09940	2.2
121.06548	9.8
121.10162	29.2
123.04496	2.9
123.08115	6.4
123.11725	9.1
125.09665	3.1
127.03954	3.6
128.06226	2.1
129.07030	14.3
130.07809	2.5
131.04974	2.3
131.08588	29.0
133.06528	6.8
133.10150	29.0
135.08124	7.5
135.11711	20.1
137.09650	3.9
141.07010	4.0
142.07820	2.1
143.08582	13.1
144.09380	2.5
145.06552	5.6
145.10155	19.7
147.08087	3.7
147.11708	17.9
149.09660	5.4
149.13278	15.2
151.07574	2.5
151.11259	3.1
155.08591	7.0
157.06554	2.0
157.10144	11.4
159.08130	4.6
159.11719	23.5
161.09656	4.1
161.13345	6.4
163.11230	3.3
163.14902	2.8
165.09090	2.0
165.12785	3.9
167.08629	4.3
169.10211	7.6
171.08134	4.8
171.11697	9.4
173.09714	2.8
173.13266	8.6
175.11284	2.8
175.14876	2.6
177.12805	7.2
181.10220	3.8
183.11826	5.0
183.13954	1.7
185.09735	4.9
185.13260	8.9
187.11310	2.6
187.14925	3.3
189.12848	4.7
189.16400	2.2
191.10786	2.1
191.14365	2.8
193.10252	2.0
193.12276	2.4
195.13812	14.6
197.13336	5.9
199.14891	4.8
201.12874	2.7
203.14439	3.0
207.13811	2.1
208.16998	2.4
209.13307	2.9
211.14824	2.4
213.12877	3.2
218.38055	1.8
221.13333	1.6
223.14972	2.0
233.15526	3.6
257.15240	2.9
259.16992	2.0
259.20602	3.0
261.22134	3.8
267.15948	2.5
269.17499	20.9
269.19812	2.0
273.22104	1.9
275.16693	2.8
275.20212	2.1
277.21765	3.9
285.22040	2.4
289.18268	2.1
289.21667	3.2
301.21667	9.8
315.23337	2.3
319.22818	3.8
327.23264	5.5
335.25906	5.3
339.18109	4.0
341.24890	3.1
349.20212	2.0
351.23315	4.8
369.24335	17.5
375.25250	1.7
387.25189	8.9
395.20734	4.8
443.28101	5.6
461.29010	13.9
529.39508	4.0
544.76306	1.7
548.58105	1.7
557.38190	1.6
598.77191	1.7
599.39105	2.3
625.41223	2.1
637.41260	10.0
642.41248	2.0
655.42358	13.7
673.43207	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	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01865	0.4
55.05515	4.5
56.12701	0.3
56.73733	0.3
57.03439	3.7
57.07079	34.8
61.02930	13.3
63.95529	0.4
67.05508	10.4
69.03428	2.1
69.06732	0.6
69.07077	7.2
69.07446	0.3
69.59476	1.7
71.04974	0.9
71.08635	29.6
73.02917	4.8
75.04487	2.6
79.05505	2.7
81.03403	1.2
81.07059	16.8
83.04975	0.9
83.08162	0.8
83.08626	11.6
85.02908	15.4
85.06531	0.6
85.09663	0.9
85.10184	17.1
85.53949	0.3
87.04457	0.4
89.06025	1.0
91.03960	14.4
91.05473	2.3
92.05820	0.5
93.07055	2.8
95.04965	1.0
95.08609	23.2
96.08933	0.6
97.02287	0.7
97.02890	7.9
97.06551	0.5
97.10182	5.9
99.04446	1.1
99.11720	1.4
103.03925	0.4
103.07551	0.7
105.06998	1.7
106.07355	0.5
107.04926	0.9
107.08591	1.2
109.02877	0.9
109.06503	1.0
109.10159	10.3
111.11713	1.0
115.03925	0.9
117.07007	1.1
119.08553	1.1
121.10152	1.0
123.04430	0.4
123.11708	5.5
123.90419	0.4
125.13261	0.7
127.03914	5.1
128.06224	0.3
128.26852	0.3
129.06998	0.4
131.08563	1.0
133.10106	1.2
135.11723	0.8
137.13245	1.5
139.14865	0.5
145.03912	0.6
145.04970	7.8
145.10173	0.9
149.13309	0.6
151.14828	0.9
155.08487	0.4
161.09651	0.5
163.06033	13.6
163.07411	0.7
170.10442	0.4
174.95937	0.3
181.09976	0.4
185.13200	0.4
204.08548	0.3
221.22664	1.0
239.23703	21.5
257.24777	3.9
273.18530	0.8
275.20074	0.6
290.18634	0.4
298.27292	0.5
313.27371	100.0
314.27774	2.0
331.28427	48.8
332.28705	0.7
363.21777	0.4
384.47220	0.4
475.32861	0.5
636.40259	0.6
654.41119	0.7
672.41846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32690	0.4
53.03941	1.9
54.67799	0.4
55.01870	1.6
55.05281	0.5
55.05513	7.2
55.83962	0.4
57.03442	4.5
57.07080	0.9
59.04996	0.7
61.02905	0.6
65.03941	1.0
67.05507	25.0
67.53569	0.5
69.03435	0.6
69.07069	8.3
71.04992	2.1
71.52661	0.6
73.02911	0.8
73.06559	0.7
77.81954	0.5
79.05495	26.2
81.03427	3.1
81.07057	28.2
82.07379	0.8
83.04992	5.1
83.08621	5.4
83.76514	0.4
85.02899	1.4
85.06540	1.7
86.09725	0.5
91.05482	18.2
92.05798	0.5
93.07043	31.9
94.07374	0.7
95.04971	7.6
95.08607	10.9
97.02910	1.0
97.06539	3.5
97.10152	2.2
99.08096	1.0
103.05495	0.5
105.04494	0.7
105.07034	12.9
107.04969	2.9
107.08595	13.1
109.06522	3.0
109.10135	2.4
111.04440	0.6
111.08102	2.2
115.05468	1.0
117.07011	5.1
119.08578	8.4
121.06528	1.6
121.10139	5.8
123.08061	2.3
123.11733	0.6
125.09673	0.9
127.07568	0.6
129.07005	4.9
131.08574	3.9
133.06534	0.6
133.10132	5.1
135.08060	1.2
135.11673	2.3
143.08589	2.7
145.10124	3.0
147.08054	1.5
147.11688	11.2
149.09610	0.7
149.13254	7.8
155.08580	0.5
156.09299	0.5
157.10179	0.6
159.11711	3.8
161.09654	2.0
161.13235	3.1
163.11194	0.8
171.11682	6.8
177.12761	1.5
184.07263	0.6
189.12721	2.9
193.12277	0.9
195.12201	0.4
195.13730	2.2
207.13817	7.4
225.14888	0.5
238.68988	0.6
251.16545	0.6
256.18948	0.6
264.14801	0.4
269.17490	23.1
273.18414	1.1
274.18900	0.9
275.20139	1.4
281.17474	21.4
289.18112	0.8
291.19580	0.8
293.32922	0.5
296.82388	0.5
330.32224	0.5
330.99902	0.4
348.22614	0.5
365.24182	0.4
424.30701	0.5
457.29633	0.5
475.30569	100.0
476.30899	1.8
654.40173	1.1
672.42120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.5
53.03947	1.8
55.01869	1.1
55.05270	0.9
55.05519	14.2
57.07082	22.1
59.66113	0.6
65.03944	1.1
71.04987	3.2
77.03993	0.7
81.07063	1.0
83.04988	74.1
91.05490	5.3
93.07092	0.8
95.04977	1.8
98.98477	6.4
105.07039	2.9
113.00045	2.0
115.05442	1.0
116.00848	0.6
117.07077	0.7
119.08601	1.5
128.06267	4.5
129.07022	8.6
131.08658	0.9
132.09381	0.9
133.10155	1.2
141.07002	2.5
147.08038	5.2
147.11693	17.1
151.01572	2.7
151.39220	0.5
155.06021	0.9
157.07619	2.1
159.08171	1.0
161.13258	1.2
169.07588	1.3
171.02019	0.7
175.01572	10.6
176.72617	0.6
181.02620	94.5
185.13344	1.1
187.01564	1.1
189.03133	33.8
189.16589	0.7
195.04227	0.8
199.03773	1.7
222.05246	1.5
227.04698	17.5
229.21671	0.6
239.04720	1.5
241.06320	5.0
245.09404	4.5
253.06201	0.6
257.05734	3.5
259.66629	0.6
268.96027	0.5
283.10919	5.8
295.11139	0.6
313.08365	1.2
313.12012	24.6
339.17206	1.3
353.18866	1.0
369.18280	31.4
501.15045	0.6
557.20758	12.5
613.26971	56.8
614.27069	1.0
644.14270	0.6
669.33197	100.0
670.33862	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	671.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.0
53.03951	5.6
55.01876	19.3
55.05514	50.0
57.03438	7.8
57.07087	2.0
59.05011	2.3
59.32565	0.9
60.16945	0.8
65.03942	5.3
67.05508	59.0
69.03435	7.0
69.07072	33.1
70.42368	0.7
71.04991	4.7
73.02930	0.9
77.03931	1.1
79.05496	67.7
81.03423	13.4
81.07059	100.0
82.07404	1.2
83.04987	19.1
83.05470	1.3
83.08624	23.7
84.08177	1.0
85.02913	6.8
85.06537	4.2
91.05486	51.4
93.07050	41.3
95.04974	21.5
95.08614	25.6
97.02876	3.9
97.06532	12.4
97.10173	31.2
98.21552	1.8
99.00827	1.3
99.04475	2.9
99.08120	2.1
101.06017	1.4
103.05505	3.1
105.04536	1.6
105.07038	42.0
107.04961	19.3
107.08597	28.7
107.09303	1.5
109.02895	6.5
109.06526	22.5
109.10159	16.2
109.10841	1.3
111.04443	12.2
111.08079	8.4
115.05463	3.8
116.06264	1.8
117.07029	24.3
119.04955	3.5
119.08588	33.3
121.06513	14.7
121.10162	11.9
123.04440	5.6
123.08078	17.1
123.11743	1.6
125.06016	2.0
125.09630	24.2
128.06223	5.0
129.05524	1.3
129.07004	12.9
130.07793	1.5
131.04962	2.8
131.08569	19.2
132.05762	1.1
133.06505	9.2
133.09196	0.6
133.10141	17.3
134.07353	0.8
135.04449	2.0
135.08058	20.2
135.11702	9.2
137.05949	1.4
137.09602	7.5
139.07561	1.9
141.06979	4.0
142.07819	3.4
143.08568	13.8
143.10687	1.1
144.05743	1.4
144.09375	1.1
145.06477	8.5
145.10132	18.6
146.07332	1.1
147.08051	16.2
147.11678	7.2
149.06004	1.2
149.09641	8.8
149.13313	2.4
151.07579	1.8
151.11217	2.6
153.07056	1.7
153.09116	5.8
153.12721	6.1
154.07779	1.1
155.08562	6.2
156.09348	1.4
157.06529	2.8
157.10132	12.4
158.07272	1.0
159.08064	10.8
159.11690	9.6
161.06004	1.3
161.09630	21.0
161.13290	1.8
163.07587	7.3
163.11198	13.3
165.07018	1.6
165.09093	4.3
165.12842	1.4
166.07787	1.2
167.08647	3.4
168.09398	1.3
169.10149	7.1
171.08044	4.9
171.10211	2.5
171.11745	7.5
173.09622	8.5
173.11856	1.6
173.13361	2.6
174.10393	0.9
175.07561	1.5
175.11186	9.7
177.09198	1.2
177.12794	2.9
179.08589	1.2
179.10724	3.0
181.10208	2.5
181.12300	3.5
182.11014	1.0
183.08122	1.3
183.11688	4.5
185.09607	4.2
185.13304	3.2
187.07573	0.9
187.11139	4.8
187.14888	1.1
189.09229	3.0
189.11264	14.5
189.12825	3.8
191.10674	5.4
193.10408	1.6
193.12247	25.8
194.10953	1.0
195.08112	2.0
195.11716	3.7
195.13710	0.8
197.09634	2.8
197.13347	2.7
199.11208	4.3
199.14915	1.9
201.12793	2.9
203.10732	1.3
203.14342	1.9
205.10281	1.2
205.12340	2.4
207.11777	2.5
209.09761	1.1
209.11620	1.4
209.13358	1.5
211.07677	0.9
211.11208	2.5
211.15012	1.0
213.09102	0.9
213.12880	1.7
213.16457	1.1
215.14320	1.8
217.12311	1.4
217.15907	1.0
219.13811	1.5
221.13438	1.3
223.11441	1.0
223.13187	4.6
225.12894	1.3
225.16544	1.0
227.12741	19.3
229.12508	1.2
231.13831	1.7
233.15244	0.9
235.11211	0.8
237.16493	1.9
241.16071	0.9
243.13904	1.5
243.17546	2.3
245.13788	1.4
245.19017	5.0
249.14894	1.0
253.15919	1.8
255.17482	4.8
257.19116	2.2
259.16946	1.2
261.18539	4.5
263.13083	0.9
271.16919	6.2
273.18503	55.9
274.18991	1.4
275.20236	2.0
283.15579	3.3
283.20547	1.3
285.18530	2.5
287.16733	1.2
287.19980	0.9
289.17969	22.7
291.19553	32.9
299.20099	2.4
301.21793	0.9
307.19153	5.2
311.20062	1.8
313.21777	1.3
315.19592	1.0
317.21191	1.7
323.20065	1.0
325.18164	1.9
327.19803	1.6
329.21072	3.7
335.20093	1.3
337.21457	1.3
341.21054	1.0
343.19171	1.1
345.20636	1.7
347.22189	20.8
361.20316	0.8
363.21805	7.0
365.23361	6.1
381.22726	18.6
391.26285	3.9
397.22220	1.0
399.21979	1.1
409.27377	5.7
419.25412	1.1
427.28723	2.9
433.27396	1.0
445.27936	0.9
451.28275	1.5
453.30173	1.2
465.30283	1.1
469.30350	0.9
471.31421	0.9
479.27673	1.0
481.29254	1.0
483.31274	2.1
487.30914	1.3
499.30527	1.2
511.30923	1.2
525.32892	1.6
527.33752	2.6
529.31689	8.4
537.32135	1.2
539.34149	1.0
543.34406	4.3
545.34778	3.3
555.33215	4.4
557.35309	1.2
561.35797	3.8
573.34326	2.8
579.36938	4.4
585.34784	1.0
597.37830	2.4
617.38373	1.5
635.39514	14.6
653.40521	44.9
654.40405	0.9
659.02979	0.9
671.41608	74.5
672.41760	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	665.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
54.85250	0.5
55.01867	2.1
55.05515	6.8
55.59102	0.6
57.03435	1.7
57.07077	3.5
59.04994	1.9
61.02918	0.7
65.03934	2.0
67.05506	18.4
69.03428	6.5
69.07071	5.5
70.06588	1.5
71.04999	5.0
71.53556	0.9
79.05499	13.1
81.03417	5.7
81.07064	17.7
83.04977	5.4
83.08620	4.4
84.08162	0.7
84.31417	0.6
85.02900	2.0
85.06548	5.9
86.09713	1.6
91.05484	16.5
93.07052	18.0
95.04972	10.1
95.08611	15.2
97.02898	1.7
97.06538	6.1
97.10194	1.3
99.04472	8.8
99.08067	0.7
103.05473	0.8
105.07035	22.6
107.04953	2.0
107.08596	14.3
109.02884	1.6
109.06522	100.0
109.10162	14.6
110.06873	0.8
111.04446	3.7
111.08097	4.6
112.97806	0.8
113.06045	1.1
113.09681	0.7
115.05486	1.6
117.07030	6.6
118.80839	0.6
119.04916	0.9
119.08585	20.3
121.06487	4.4
121.10135	12.3
122.07250	0.7
123.08085	14.7
123.11703	2.6
125.06043	3.3
125.09637	3.8
127.03915	1.6
128.06235	2.7
129.06998	5.3
130.07791	1.5
131.08563	11.7
133.06531	3.4
133.10144	12.0
135.08067	10.4
135.11696	3.1
137.06013	2.3
137.09622	11.2
139.07578	1.5
139.11197	1.4
141.07007	2.3
142.07800	4.3
143.08556	10.8
144.09381	2.8
145.06491	1.3
145.10135	16.4
147.04478	1.3
147.08069	11.6
147.11667	4.2
149.09625	10.7
149.13293	1.4
151.07555	9.0
151.11220	1.2
153.06995	0.9
153.09108	2.6
154.07745	1.0
155.08589	5.1
155.10609	3.9
156.09337	3.5
157.10144	12.2
158.10971	1.0
159.08078	4.0
159.11699	8.2
161.09650	7.3
161.13316	3.3
163.07576	1.2
163.11189	7.6
164.11949	0.8
165.06984	2.0
165.07683	1.0
165.09116	17.9
165.12764	1.1
166.07661	0.8
167.07138	1.0
167.08578	2.5
167.10703	3.3
168.09406	2.0
169.10144	9.0
170.10921	2.4
171.08093	0.9
171.11691	8.3
173.09628	4.6
173.11798	1.5
173.13147	4.6
175.07553	1.0
175.11174	4.9
175.14850	1.2
177.09108	2.9
177.12685	0.8
179.08585	1.4
179.10725	1.3
180.09334	1.6
181.08781	0.9
181.10074	4.3
181.12233	5.0
182.10927	2.4
183.08160	0.8
183.11682	10.8
184.12462	1.8
185.09673	2.1
185.13237	4.9
187.11195	4.8
187.14876	1.1
189.12801	5.5
190.13548	1.7
191.10724	2.2
191.14357	2.5
192.09402	0.9
193.10170	2.1
193.12283	3.3
194.10922	1.4
195.10191	1.4
195.11731	4.2
196.12526	1.1
197.09669	1.5
197.11784	0.9
197.13297	5.4
198.10559	1.0
199.11218	4.3
199.14908	1.2
200.11739	0.8
201.12671	4.6
203.10629	1.0
203.14288	6.7
205.12189	0.9
207.11757	3.2
207.13863	6.5
208.12541	1.1
208.14510	1.6
209.09613	1.1
209.13290	5.9
209.15422	2.9
210.10359	0.7
211.11230	2.7
211.13148	1.3
211.14925	3.2
213.12769	3.1
213.16306	0.7
215.14326	2.3
219.11842	1.3
219.13895	2.6
221.13336	2.4
221.15370	32.0
223.11333	1.4
223.13168	1.0
223.15048	1.1
225.12752	2.5
225.14891	4.9
227.10872	1.0
227.14401	4.1
229.12270	2.1
229.14326	1.6
231.13846	1.1
233.13251	1.7
233.15437	2.4
234.16153	3.6
235.14877	0.9
239.14394	1.5
239.16333	1.0
241.12320	1.1
241.15962	1.2
243.13887	1.5
247.14836	0.9
247.17030	3.9
251.14336	0.9
253.15822	1.2
255.17430	1.4
257.19128	1.0
259.17203	0.7
265.15857	1.1
267.17401	0.9
271.16919	2.0
273.18634	1.3
274.19110	1.4
275.20084	6.5
277.18121	1.2
279.17450	1.5
281.19019	1.2
285.18530	1.7
286.19278	3.2
287.20276	3.7
297.18616	1.1
298.19513	1.0
299.20114	3.6
300.20801	0.9
309.18533	0.8
311.20148	1.4
312.20825	4.3
313.21704	1.3
324.21350	0.7
325.21609	1.5
329.21408	1.0
331.22726	0.9
343.22672	7.9
349.23816	2.4
373.18454	1.8
391.26379	1.0
407.25793	4.5
408.26489	3.9
409.26758	1.0
417.27515	0.8
422.28360	4.2
423.28970	12.8
434.28168	2.3
435.28958	53.0
436.29260	1.3
451.28497	15.5
477.30072	3.7
503.33685	2.7
548.31348	1.1
555.33032	2.2
556.33698	0.9
568.33997	3.3
569.34717	1.0
573.34302	5.6
587.48663	0.7
592.33875	1.4
629.36993	0.8
647.38873	8.5
648.40247	14.9
665.40491	78.8
666.40973	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	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76744	0.5
54.24101	0.6
55.05467	0.9
55.73759	0.5
57.07027	49.1
57.07339	2.8
60.32541	0.6
63.65200	0.6
67.05466	0.8
68.02208	0.6
69.25484	2.4
69.25919	2.9
81.07040	0.8
87.04424	1.9
91.05468	6.8
95.04934	1.1
101.15781	0.6
105.06972	2.6
117.07017	0.9
119.08580	1.5
133.10069	0.9
147.11700	7.4
152.06139	1.1
153.06949	2.9
166.13391	0.7
205.74692	0.6
228.09331	0.8
229.10001	1.3
233.03586	4.6
251.04655	16.5
269.31671	0.7
307.11002	1.4
309.06589	0.7
327.07797	100.0
328.08118	1.4
357.25250	0.7
363.17270	0.8
383.14072	74.1
384.14432	1.0
439.20361	76.6
440.20636	1.9
495.26587	66.0
496.26785	1.2
551.32861	83.0
552.33313	2.2
554.41278	0.6
607.39087	76.1
608.39417	2.3
663.45361	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	663.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01870	4.0
55.05515	25.3
57.03441	10.4
57.07069	4.5
59.04985	2.5
65.03921	3.8
67.05509	74.6
69.03397	1.9
69.07076	24.0
70.16322	6.8
71.04981	4.6
76.13731	1.6
77.03919	1.7
79.05498	55.9
81.03426	2.3
81.07062	100.0
83.04984	3.7
83.08617	15.7
85.06537	3.5
87.04468	6.2
91.05490	51.5
93.07050	64.9
95.04968	8.5
95.08614	63.6
97.06536	5.3
97.10168	4.8
98.21426	2.2
99.08099	2.0
105.07040	45.5
105.38112	1.5
107.04946	3.2
107.08597	40.1
109.06511	6.7
109.09463	3.1
109.10157	25.1
111.08076	5.9
117.07008	16.0
119.08588	39.8
120.08937	2.2
121.06496	4.7
121.10142	26.8
121.72838	1.8
123.08053	6.4
123.11746	10.1
125.09609	2.5
128.06281	2.0
129.07028	6.4
131.08565	27.0
133.10135	37.0
135.08072	3.5
135.11691	17.0
137.09604	4.5
141.06941	2.4
142.07771	2.6
143.08582	10.6
144.09334	2.2
145.10132	27.2
147.11693	15.3
149.09619	5.8
149.13303	10.3
151.11217	1.9
155.08560	4.7
157.10132	9.9
159.11697	15.8
161.09712	2.7
161.13228	9.8
163.11195	4.0
163.14833	5.3
165.12781	3.8
169.10146	5.2
171.11650	9.9
173.13255	10.2
175.14784	4.2
177.16333	2.5
183.11737	5.8
184.07378	3.3
185.13284	3.3
187.14778	4.3
189.12701	3.0
191.14285	3.3
193.10168	1.9
197.13245	3.6
199.14781	2.7
201.12749	2.7
201.16383	2.3
207.13863	1.7
211.14845	3.5
215.14304	1.7
225.16646	2.1
229.19540	2.7
239.18082	1.8
243.21072	7.3
247.20663	2.9
257.19104	7.9
259.20520	2.9
261.22180	25.5
273.18484	3.5
275.20084	33.7
279.23117	2.3
291.19550	3.8
299.23566	2.2
311.17712	4.7
317.24734	6.4
331.22702	4.0
335.25815	88.0
336.26257	2.8
349.23758	5.3
353.20422	1.9
353.26773	2.2
383.19916	1.8
385.21414	35.0
503.37280	4.1
517.39673	4.7
553.42365	2.0
571.39056	1.8
609.45270	13.7
627.45837	5.4
645.42859	20.9
663.43207	20.9
689.07495	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
53.45455	2.5
55.01868	13.5
55.05511	37.9
57.03436	13.4
57.07075	8.9
59.04993	7.8
65.03931	6.8
67.05506	98.6
69.03432	25.9
69.07069	22.0
70.06576	4.9
71.01367	4.3
71.05000	9.3
71.52564	3.8
74.00403	1.9
74.05963	2.5
79.05072	3.5
79.05496	45.5
81.03415	38.2
81.07062	57.4
83.04987	24.1
83.08624	21.6
84.08145	3.0
85.02925	11.7
85.06549	13.3
86.09708	3.7
91.05486	46.8
93.07047	48.2
95.04971	35.1
95.08610	30.9
97.02896	14.9
97.06541	17.5
97.10168	18.4
99.04456	100.0
99.08119	2.9
103.05473	3.7
105.07037	43.7
107.04958	11.9
107.08599	38.7
109.02907	12.0
109.06507	21.3
109.10161	67.8
111.04413	10.6
111.08051	11.5
115.05451	5.7
116.93568	2.3
117.07013	19.0
119.04975	2.7
119.08589	41.9
120.08103	2.0
121.06499	21.3
121.10149	25.8
123.04444	4.9
123.08074	28.8
123.11747	2.9
125.06004	17.6
125.09632	21.6
127.03904	8.7
128.06206	6.5
129.06996	13.7
130.07767	3.2
131.04926	2.7
131.08594	22.1
133.06496	11.3
133.10150	19.7
135.04387	2.4
135.08066	17.9
135.11696	8.7
135.30035	2.1
137.05965	4.1
137.09598	13.3
139.07558	5.2
139.11212	3.7
141.06956	3.0
142.07785	6.7
143.08560	17.6
144.09293	2.7
145.06465	4.8
145.10135	27.1
147.08038	33.9
147.11690	7.9
149.05995	2.7
149.09628	17.2
149.13206	2.5
151.07555	9.3
153.09122	3.0
155.08536	6.0
155.10674	5.4
156.09380	4.2
157.10110	17.0
159.08101	8.5
159.11739	13.9
161.05939	3.4
161.09662	17.4
161.13258	5.6
163.11168	31.0
165.09146	20.3
167.08551	4.6
167.10786	4.0
168.09444	2.9
169.10146	8.6
171.08025	4.5
171.10353	3.5
171.11725	12.0
173.05936	2.9
173.09633	10.8
173.11739	16.0
173.13278	5.5
175.07506	2.4
175.11131	10.0
176.06836	2.1
177.05391	2.2
177.09146	3.9
177.12788	3.8
179.08572	2.6
179.10666	4.1
181.10124	6.1
181.12234	20.5
183.08051	2.6
183.11726	8.3
185.09605	6.3
185.13208	5.5
187.11185	8.0
189.09380	2.6
189.11200	9.3
189.12759	19.0
191.10634	4.4
192.18842	2.2
193.12283	6.6
195.11705	6.1
197.09726	3.2
197.13283	3.9
199.11203	6.5
201.12764	5.6
203.14378	5.0
207.13818	8.9
208.14508	2.3
209.09648	3.5
209.11542	4.0
209.13351	3.3
211.11124	6.7
211.13077	2.5
213.12735	4.3
215.10587	3.0
215.14256	4.3
217.12189	2.4
219.13863	2.8
221.13373	4.4
221.15315	21.3
225.12842	4.8
227.10844	2.5
227.12764	9.5
229.12277	3.3
229.14371	20.3
233.15378	3.9
235.11292	2.2
239.16368	22.7
245.13776	3.4
245.19009	3.7
247.17152	2.5
249.14850	2.6
255.17424	2.5
266.18335	2.3
267.13748	2.0
271.16910	3.4
273.18494	25.9
275.20081	4.8
285.18274	3.0
291.19583	41.5
299.14706	2.7
309.20728	3.4
311.20306	2.3
315.19568	5.6
339.18799	2.3
347.22034	7.0
353.21185	3.0
355.17484	3.9
357.20410	3.2
363.19418	3.5
365.23410	4.0
373.18576	6.7
381.20523	8.3
381.24438	5.6
399.21625	6.6
407.25858	75.8
407.31281	4.4
408.26120	4.9
417.22412	3.9
473.25702	2.9
501.32074	5.8
519.33374	10.7
531.33539	2.7
561.34399	2.4
597.34082	2.4
609.34106	6.7
627.35400	16.8
631.39386	2.8
645.35883	25.8
663.37805	61.3
664.45209	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	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
53.39683	1.0
55.01865	3.6
55.05511	18.7
55.45771	0.9
57.03438	16.6
57.07063	1.5
58.74653	1.0
61.02916	4.5
61.10871	1.3
61.39590	1.1
65.03934	2.6
67.02380	1.1
67.05508	46.1
68.03764	1.1
68.27892	1.0
68.55454	1.1
69.03426	4.4
69.07070	12.9
70.06572	5.0
70.13868	2.4
70.14259	2.0
71.01339	3.0
71.04977	4.1
73.02893	2.1
79.05495	41.5
81.03420	52.6
81.07060	31.9
83.04982	18.3
83.08620	18.8
84.08120	2.5
85.02909	16.8
85.06528	3.5
86.09711	2.6
91.03957	1.9
91.05481	37.6
91.41465	1.0
93.05215	1.0
93.07048	42.5
95.04971	21.5
95.08602	10.0
97.02885	4.7
97.06525	9.6
97.10168	10.3
97.84705	1.1
99.04456	4.9
99.08086	2.1
105.07034	17.8
107.04969	7.5
107.08598	30.2
109.06515	4.6
109.10161	7.0
111.04441	2.2
111.08087	9.0
113.05999	1.9
115.05440	1.9
117.07028	4.3
117.65873	1.0
119.08584	17.8
121.06464	2.9
121.10139	11.8
123.08078	2.7
125.05978	1.3
125.09624	3.4
129.06993	7.6
129.10211	1.7
131.08571	9.6
133.06467	1.4
133.10135	12.9
135.08061	2.2
135.11697	42.1
135.12735	2.4
137.09613	3.5
139.40610	1.0
142.07779	2.9
145.10144	9.5
147.08047	2.6
147.11708	11.3
149.09636	6.2
153.12773	1.3
157.10138	10.8
163.11130	6.3
165.12798	2.2
170.59679	1.0
175.11192	11.3
181.12256	9.5
193.12254	32.8
199.13422	1.4
211.13287	46.9
227.13206	1.2
237.88135	1.1
253.16180	1.2
255.15924	78.1
267.15912	24.0
285.16959	27.3
347.44687	1.1
407.25714	1.4
421.25812	2.6
447.27451	73.0
448.27325	1.7
465.28491	100.0
466.28885	2.3
475.49268	1.1
506.52594	1.4
554.23755	1.2
558.44171	1.2
662.40106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.3
53.03937	5.4
55.01880	12.5
55.05516	37.0
57.03449	9.2
57.07078	6.0
58.56859	1.2
59.05014	7.9
65.03944	4.3
65.67686	1.2
67.05508	66.1
68.05848	3.4
69.03427	5.8
69.06736	1.5
69.07072	21.5
71.04990	3.7
73.06544	1.3
75.04469	5.7
79.05496	55.7
80.05811	1.5
81.03425	10.2
81.07059	100.0
82.07386	1.9
83.04993	17.2
83.08620	19.1
85.02901	3.5
85.06544	6.4
91.05487	33.8
92.05801	3.0
93.07050	48.8
93.07637	2.9
94.07331	2.4
95.04974	21.1
95.08611	42.0
97.06536	10.5
97.10175	25.1
99.04459	3.9
99.08086	3.8
103.05447	2.0
104.99242	1.2
105.04521	1.4
105.07036	33.3
107.04944	6.0
107.08602	34.8
109.06524	12.1
109.09480	1.6
109.10159	22.1
111.04456	9.7
111.08081	10.4
113.09689	1.4
115.05459	1.9
115.07590	2.4
116.89783	1.3
117.07019	14.2
119.08591	32.0
120.08915	1.7
121.06538	6.6
121.10153	26.2
123.08070	27.7
123.11719	7.3
125.05981	6.7
125.09641	22.1
128.06223	2.4
129.05510	1.9
129.06995	7.8
131.08571	19.8
133.06509	2.5
133.10138	22.6
135.08054	9.2
135.11702	18.1
137.09608	9.0
137.13310	2.3
139.07578	1.4
139.11168	4.0
142.07764	2.2
143.08591	10.2
145.06487	1.9
145.10132	20.3
147.08044	9.3
147.11697	8.9
149.09624	7.5
149.13275	6.5
151.07541	4.2
151.11217	1.9
153.09090	4.9
153.12743	6.4
155.08578	3.4
157.10165	7.2
159.08076	2.0
159.11691	11.4
161.09618	9.8
161.13303	6.5
163.11224	22.9
163.14853	3.1
165.09106	6.5
165.12695	2.5
167.10677	2.0
169.10162	4.3
171.10211	2.3
171.11682	6.3
172.08887	1.5
173.09631	2.8
173.13217	6.9
175.11198	3.6
175.14786	3.9
177.12772	2.1
179.10634	1.8
180.09459	1.2
181.10513	1.8
181.12238	26.1
183.11716	3.0
185.13214	3.9
187.11195	2.6
187.14809	4.7
189.11229	22.4
189.12772	3.0
191.10652	5.9
193.12309	6.8
195.11707	4.3
197.13293	2.6
199.14761	2.8
201.12811	1.8
203.14359	2.5
205.12064	1.8
207.13857	4.4
209.11528	1.7
209.13272	3.4
211.13278	4.8
213.12848	1.4
217.15834	2.5
221.15327	4.9
223.13277	4.8
223.16832	1.6
227.12720	16.4
239.16322	1.8
241.19579	1.5
243.21039	3.1
249.14793	2.9
251.16402	5.7
255.17435	2.5
259.20508	2.9
261.22150	11.8
263.20059	1.9
273.18497	17.8
275.20129	3.0
279.23199	1.6
283.15311	2.6
285.18491	1.6
287.20023	1.7
291.19553	58.7
309.20721	9.0
317.24860	2.1
329.21332	1.3
333.24344	1.7
335.25790	46.2
343.22702	11.0
347.22058	1.9
365.23132	16.5
383.24323	14.0
551.40503	2.2
569.41119	1.8
607.43060	5.0
625.44537	20.3
629.41974	2.5
631.79675	1.4
643.45679	22.2
661.45331	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	661.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.01877	11.6
55.05511	38.9
57.03439	12.7
57.07062	6.0
59.05001	9.2
65.03943	3.9
67.05505	80.0
69.03429	7.1
69.07072	25.9
71.04980	6.2
71.52217	1.8
75.04485	9.5
79.05493	66.1
81.03422	12.9
81.07057	100.0
83.04982	19.1
83.08154	1.9
83.08617	27.8
85.02891	3.7
85.06528	8.8
87.04467	1.5
91.05482	45.8
93.07043	67.4
95.04970	21.8
95.08607	54.3
97.02906	1.4
97.06532	12.4
97.10172	28.0
99.04453	3.6
99.08082	2.9
103.05442	2.2
105.04501	2.5
105.07029	44.3
107.04957	6.6
107.08595	44.1
109.06505	13.5
109.10156	29.6
111.04443	10.5
111.08068	8.5
113.05949	1.6
115.05437	2.7
115.07574	1.5
115.22363	1.3
116.06284	1.4
117.07021	18.0
119.08581	41.7
121.06529	7.8
121.10146	33.9
123.08067	37.3
123.11700	12.0
125.05981	6.8
125.09631	24.5
128.06197	3.4
129.06194	1.5
129.06985	9.9
131.08560	24.3
133.06499	2.4
133.10132	25.9
135.08052	10.9
135.11688	18.1
137.09615	8.5
137.13254	2.8
139.11180	5.5
141.06921	1.6
142.07774	3.9
143.08571	10.6
145.10129	27.6
147.08055	9.8
147.11684	13.8
149.09694	7.9
149.13188	6.4
151.07550	3.0
151.11160	3.8
153.09097	4.1
153.12756	5.4
155.08508	4.1
157.10133	11.6
159.08067	4.7
159.11705	14.1
161.09595	7.7
161.13271	8.5
163.11191	19.5
163.14864	3.5
165.09106	9.4
165.12741	2.9
167.08525	1.9
167.10701	2.5
169.10112	6.0
171.10316	2.1
171.11653	8.8
173.09610	4.1
173.13277	9.6
175.11185	5.5
175.14822	3.5
177.09122	1.7
177.12665	3.1
181.10161	3.0
181.12241	23.3
183.11649	3.8
185.09651	2.0
185.13226	5.1
187.11238	2.0
187.13280	3.5
187.14786	4.4
189.11223	23.1
189.12738	3.0
191.10648	3.6
193.10345	1.9
193.12242	6.4
195.10143	1.5
195.11697	2.4
197.13284	3.2
199.11229	2.4
199.14825	2.8
201.12631	1.4
201.16283	2.3
203.14214	2.0
205.12234	1.8
205.15842	3.4
207.13747	2.5
209.13361	3.2
211.13135	6.6
211.14978	2.2
213.16364	2.2
219.11865	1.6
221.15326	4.3
223.13226	5.9
223.16927	2.1
227.12717	22.1
227.17943	2.6
229.12221	2.1
233.15340	2.0
239.16426	3.9
241.19388	1.7
243.21130	3.2
245.13710	2.7
245.19017	2.8
249.14851	1.6
251.16333	7.4
255.17462	3.0
257.19095	1.8
259.20602	3.6
261.22217	14.4
263.20126	2.1
267.15979	1.6
273.18524	26.3
275.20059	5.0
277.21609	2.1
283.15363	2.0
285.18637	2.9
289.17975	1.8
291.19540	52.9
309.20572	6.9
317.24823	2.7
331.22559	1.9
333.24362	3.4
335.25812	72.1
343.22623	4.9
347.22186	5.2
349.23727	2.6
365.23248	22.6
383.24258	11.5
385.21085	1.9
425.16162	1.5
505.35370	3.2
527.37616	2.0
533.39728	2.1
545.37885	5.2
551.40503	1.7
607.43427	4.5
625.44666	20.5
643.45587	19.9
661.43469	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	661.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03892	0.2
53.03947	0.8
55.01866	0.4
55.05511	1.7
56.02663	0.2
57.03421	0.2
57.07084	0.5
59.04997	0.6
64.81767	0.2
65.03937	0.3
67.01881	0.2
67.05509	1.7
69.03440	0.9
69.07088	0.9
70.69106	0.4
71.04998	0.2
73.06538	0.3
75.04486	2.5
79.05070	0.3
79.05499	3.9
81.03404	0.3
81.07065	3.1
83.04987	1.5
83.08612	1.3
85.06567	1.0
86.09715	0.2
91.05485	3.0
93.07043	3.2
93.07574	0.3
95.04987	1.0
95.08630	1.4
97.06533	0.8
97.10197	0.3
99.04462	100.0
100.04810	0.5
103.05486	0.2
105.04482	0.3
105.07037	4.4
107.04944	0.7
107.08604	4.9
107.09309	0.3
109.06523	1.5
109.10166	0.7
110.68732	0.2
111.08096	0.8
113.09634	0.2
115.05465	0.3
115.07576	0.8
117.07021	0.8
119.08591	4.1
121.05668	0.4
121.06509	4.8
121.10149	4.3
123.08067	0.8
123.11680	0.2
125.05998	5.6
125.09643	1.5
128.06206	0.3
129.07016	0.7
131.08568	1.9
132.05748	0.4
133.06505	1.7
133.10152	1.8
135.08080	1.1
137.09616	0.9
139.07545	0.4
139.11208	0.9
142.07753	0.6
143.08572	0.9
145.06480	0.5
145.10143	1.9
146.07265	0.3
147.08055	15.5
147.11661	1.3
149.08452	0.2
149.09630	4.4
151.07542	0.4
155.08588	0.5
155.10735	0.3
156.09338	0.6
157.10143	1.5
158.10875	0.3
159.08075	1.5
159.11717	0.7
160.08798	1.1
161.09630	1.8
161.13246	1.3
163.11241	0.5
165.09128	1.0
165.12689	0.3
167.08554	0.3
167.10687	0.4
169.10114	0.4
171.11736	1.5
173.09605	0.9
173.13255	1.3
174.10435	1.1
175.11162	1.0
177.09128	0.3
179.14287	0.2
181.10158	0.2
181.12317	0.2
182.10927	0.4
183.11842	0.2
187.11224	0.3
187.14856	0.8
189.12756	18.2
191.10674	0.8
191.14331	1.1
193.12202	0.2
197.13258	1.2
197.15350	0.8
203.14307	0.6
207.11990	0.2
207.13713	0.9
211.11137	0.2
215.14334	1.8
219.13828	0.2
221.13586	0.2
221.15378	6.2
233.15361	0.7
239.16437	35.9
240.16733	0.3
247.17017	1.0
253.18001	0.6
265.17993	5.2
273.18469	0.3
279.19641	0.2
281.17438	0.2
291.19608	0.2
317.21185	0.4
381.24173	0.3
396.26611	2.3
409.27249	0.2
422.28009	0.6
571.36078	0.3
629.40759	0.2
661.44910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.7
53.03954	7.1
54.19467	1.2
55.01873	5.1
55.05270	2.1
55.05516	30.6
57.03442	3.9
57.07074	4.2
57.20091	1.1
59.05003	5.7
62.14559	1.3
65.00217	1.2
65.03942	5.1
67.05510	62.6
69.03437	5.4
69.07074	29.8
70.69147	2.9
70.69469	1.6
71.04994	5.0
75.00043	39.0
75.04491	6.7
79.05499	70.5
81.03426	5.3
81.07063	71.1
83.04988	6.4
83.08635	13.9
85.06544	5.4
87.35399	1.4
91.05488	52.8
93.07051	66.7
95.04980	13.7
95.08615	44.5
96.72710	1.2
97.02890	2.2
97.06541	6.5
97.10174	15.9
99.04468	2.2
99.08092	4.1
101.01551	2.0
101.06036	1.5
102.99502	10.7
105.04550	3.7
105.07041	42.5
107.04976	3.8
107.08605	38.3
107.09316	2.7
109.06527	6.1
109.10168	18.6
111.08108	4.6
114.99510	4.5
115.05472	3.9
117.07020	14.9
119.08592	34.1
121.06547	4.2
121.10147	29.3
123.08064	5.5
123.11741	5.1
125.06047	2.6
125.09647	12.4
127.11252	1.4
129.07022	7.4
131.02580	1.4
131.08586	20.4
133.10130	18.7
135.08095	4.8
135.11694	14.1
136.83267	1.2
137.09625	4.8
139.11227	1.7
141.04648	2.1
141.09090	1.3
142.07907	1.4
143.08578	7.3
145.10133	14.5
147.08015	6.8
147.11719	20.3
148.01251	1.4
149.09660	3.8
149.13272	6.0
151.07646	2.6
153.09152	3.1
155.08578	2.5
157.10139	9.0
159.11713	8.5
161.09659	3.2
161.13300	5.4
163.11223	4.4
163.14861	2.7
165.09161	2.5
169.10188	2.8
169.12215	1.5
171.10280	2.1
171.11714	5.5
173.09692	1.7
173.11838	1.9
173.13287	5.7
175.11247	5.3
175.14870	2.6
181.12302	4.9
183.09418	3.9
183.11731	3.1
185.13266	3.7
187.11194	1.4
187.14879	1.8
189.11206	11.1
193.12276	2.7
195.11815	2.4
199.14819	1.9
205.15930	2.0
207.13828	1.4
209.13269	1.7
211.09016	1.8
211.14886	2.2
213.16391	1.5
214.01611	1.4
223.13306	9.6
227.12857	3.1
227.17996	1.9
229.09979	5.3
237.16383	1.5
239.16351	3.1
241.09985	2.8
245.19193	1.4
247.10963	16.5
255.17796	1.4
257.64755	1.4
259.20667	2.3
261.22275	4.7
273.18527	34.2
275.20209	3.5
285.12769	1.4
291.19583	22.7
309.16333	5.1
317.24719	3.3
335.25961	6.2
337.27600	2.4
383.20123	2.8
520.41455	2.1
528.29083	1.4
563.34985	34.0
607.43396	2.4
625.44470	9.1
643.41565	1.7
661.42303	100.0
662.42328	3.5
694.43378	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.4
53.03944	6.2
55.01882	8.3
55.05516	35.7
57.03445	16.2
57.07070	5.9
57.79629	1.3
58.45792	1.5
59.05000	5.2
61.06145	1.4
65.03940	6.4
67.05509	80.1
69.03429	5.1
69.07072	31.5
69.35333	1.2
70.07603	4.5
71.04987	6.2
71.08620	2.3
75.04478	6.3
77.03916	1.2
79.05496	80.9
81.03419	6.2
81.07061	100.0
83.04977	9.5
83.08620	19.3
85.06542	8.4
85.41071	1.3
86.09750	1.4
87.04485	1.6
89.06033	3.4
91.05486	100.0
92.05840	1.5
93.07050	81.3
95.04972	15.0
95.08615	53.7
95.09132	1.1
95.99229	1.4
96.08958	1.4
97.06527	12.3
97.10181	5.7
98.20808	1.6
99.04461	2.8
99.08095	4.2
101.03535	1.2
103.05451	3.9
105.04522	1.9
105.07037	93.3
106.07359	2.2
107.04953	5.4
107.08598	52.9
109.06519	8.6
109.10164	24.8
111.04475	1.3
111.08071	8.8
115.03135	1.3
115.05474	3.7
116.06197	2.2
117.01003	1.7
117.07028	33.6
119.08588	73.4
121.06528	5.6
121.10152	38.3
121.10919	1.3
123.08087	11.0
123.11702	8.6
125.06004	5.0
125.09612	8.4
127.03092	1.7
128.06226	5.4
129.05533	3.3
129.07019	21.2
131.08572	52.9
133.06561	2.8
133.10138	68.8
134.99530	1.2
135.08072	8.8
135.11693	20.1
136.12045	1.4
137.09612	6.2
137.13260	2.2
139.11238	2.2
141.06978	4.7
142.07803	4.6
143.08543	21.9
144.09323	1.8
145.10129	47.7
147.08061	8.0
147.11696	49.2
149.09634	9.3
149.13255	11.4
151.07578	2.6
151.11153	4.6
153.04588	1.7
153.09068	1.7
154.07658	1.4
155.08536	10.7
156.09355	1.4
157.10156	21.5
159.08075	3.9
159.11697	35.3
161.09679	6.7
161.13274	31.4
163.11183	11.0
163.14871	4.2
165.09093	2.5
165.12755	4.3
167.08612	3.7
167.10648	2.4
168.09328	1.4
169.10153	13.1
171.11694	23.8
173.13260	24.1
175.11188	6.9
175.14835	17.1
177.12764	3.9
179.08556	2.0
181.10138	5.2
181.12256	6.5
182.10919	1.9
183.11722	11.0
184.07350	3.6
184.91818	1.4
185.09663	1.4
185.13268	14.9
187.11171	2.8
187.14827	8.6
189.11221	2.1
189.12759	5.8
189.16386	3.8
191.14259	2.7
193.10217	3.6
195.11732	6.1
197.13301	10.2
199.14839	11.8
200.15320	1.4
201.12627	1.3
201.16370	3.0
203.14258	2.4
205.15855	3.1
207.11703	4.5
207.13818	2.9
209.13327	4.4
211.14847	5.8
213.12566	2.0
213.16406	4.4
215.17958	3.5
217.15953	3.1
217.19554	3.1
219.11726	1.3
219.13911	1.4
221.13339	3.0
221.15370	4.4
223.14816	6.0
223.16855	2.1
225.16368	3.3
227.17967	2.3
227.97499	1.8
229.19502	2.6
231.21132	5.7
233.15340	2.0
233.84167	1.5
235.14833	2.1
239.17982	6.0
241.19519	27.7
243.21082	4.8
247.14882	1.7
247.20564	2.5
253.19725	1.8
257.19009	12.5
259.20590	69.0
261.22025	6.7
265.17960	2.3
273.18515	4.7
275.20090	46.5
277.21497	4.5
291.19437	6.6
297.22299	2.2
311.17685	3.8
313.21661	1.7
315.19748	1.9
315.23117	6.7
331.22546	3.2
333.24252	66.4
335.25769	10.4
343.22736	1.7
347.22427	2.7
349.23621	8.3
350.24304	1.9
351.25256	6.2
365.23251	3.2
367.20181	1.9
383.19653	7.8
385.21411	42.5
391.28415	3.2
499.33878	2.5
501.35751	1.7
513.35406	2.7
515.37518	16.4
527.37531	2.0
533.40021	4.3
551.41296	1.9
569.37494	3.1
587.38733	2.9
607.43665	27.7
625.44525	15.8
643.41107	24.0
661.42371	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.3
53.03947	7.6
55.01863	5.0
55.05511	25.4
57.03431	3.8
57.07063	3.0
59.04991	3.2
60.70940	1.0
65.03938	4.9
66.17563	1.2
67.05508	57.7
69.03426	3.4
69.06730	2.2
69.07071	24.2
71.04989	3.0
73.06567	1.2
75.00047	3.3
75.04473	2.9
76.08864	1.4
77.03944	1.9
79.05496	59.7
81.03421	5.0
81.07058	64.3
83.05000	8.6
83.08617	10.4
85.02903	2.6
85.06538	4.1
91.04914	2.0
91.05483	42.4
93.07048	56.9
95.04984	11.9
95.08608	34.0
96.41225	1.1
97.02910	1.6
97.06519	4.0
97.10172	8.8
98.20719	2.8
99.04444	3.9
99.08094	2.7
103.05459	1.4
105.04526	1.9
105.07037	32.9
107.04981	6.7
107.08601	30.2
109.06528	6.3
109.10159	18.7
111.04487	2.7
111.08078	5.1
113.06017	1.1
115.05431	1.8
117.07032	13.9
119.07813	2.2
119.08594	30.0
119.46567	1.1
121.06519	6.7
121.10155	26.3
123.04454	1.2
123.08072	17.0
123.11710	4.3
125.09665	7.4
128.06235	2.1
129.06984	5.7
131.08577	19.8
133.00549	3.0
133.06453	2.3
133.10135	14.3
135.08078	5.6
135.11691	14.1
137.09618	5.1
143.08559	8.4
145.10139	17.6
147.08084	7.0
147.11682	9.9
149.09633	6.9
149.13268	5.8
151.11212	1.5
153.09163	1.9
155.08583	2.4
157.10168	6.8
159.08087	2.2
159.11699	10.7
161.09663	6.0
161.13300	4.9
163.11227	5.3
163.14806	1.9
165.09097	1.5
167.08606	1.5
169.10098	4.6
171.10356	2.0
171.11737	5.8
173.09625	2.3
173.13211	5.7
175.11188	3.6
175.14876	3.1
177.12691	1.9
181.10213	1.3
181.12170	2.8
183.11703	3.6
185.09705	1.9
185.13248	3.5
187.14870	3.2
189.11253	2.2
189.12840	1.6
193.12260	1.9
195.11734	1.4
197.07283	2.5
197.13316	2.2
197.76506	1.3
199.14864	2.1
201.12634	1.4
201.16438	1.3
203.14369	1.7
206.36418	1.2
209.13295	2.3
215.17961	1.3
221.13359	1.8
223.13341	3.9
225.16479	1.9
227.12892	1.6
227.17918	1.9
232.44916	1.3
239.16557	2.7
243.21173	2.2
245.19150	2.5
247.11037	1.5
248.15530	1.4
249.14825	1.8
255.17482	2.4
259.20618	1.4
261.22198	7.0
273.18481	20.3
273.21350	1.9
275.20258	1.7
291.19525	43.8
309.16235	6.4
327.17151	1.6
335.25919	4.7
337.27408	3.8
383.19839	2.1
409.31149	1.4
501.35605	5.0
520.40698	4.6
563.35101	2.6
607.43604	4.3
625.44312	5.9
643.40613	6.6
661.42273	100.0
662.42340	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	661.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.8
51.69145	1.9
53.03931	6.6
55.01876	11.6
55.05515	48.4
57.03434	14.3
57.07080	11.9
57.53469	1.8
59.05003	40.8
65.03928	7.6
66.44067	2.1
67.05511	93.6
69.03415	5.8
69.06736	2.7
69.07072	40.5
69.35811	4.2
69.36217	12.8
71.04988	4.8
73.06577	2.0
75.04485	21.5
79.05499	79.9
81.03417	6.0
81.07062	100.0
82.07397	3.0
83.04986	22.8
83.08620	19.8
85.06552	28.2
86.06862	5.9
87.11081	1.8
91.05487	86.3
92.04609	2.4
93.07048	83.8
95.04973	20.5
95.08614	67.1
96.08849	2.7
97.06536	20.6
97.10163	12.7
98.21593	2.3
99.04453	8.5
99.08078	5.5
103.05465	4.7
105.07038	85.9
106.07311	2.3
107.04944	7.4
107.08607	51.6
109.06507	11.1
109.10165	32.6
111.04449	2.4
111.08089	8.6
113.05952	2.2
113.09640	2.3
115.05437	5.0
115.07575	28.3
116.06282	3.0
116.07893	6.5
117.06233	3.3
117.07030	36.0
119.08590	64.4
121.06490	7.5
121.09328	3.0
121.10165	36.4
123.08092	17.3
123.11687	6.1
125.05991	24.8
125.09631	9.9
128.06224	9.3
129.07019	28.4
131.08578	60.0
132.08939	3.1
133.06503	6.0
133.10139	56.8
134.10481	2.7
135.08037	12.3
135.11682	23.2
137.09590	6.0
139.11191	3.6
141.07011	12.5
142.07770	7.9
143.08556	35.2
144.09349	4.0
145.06520	2.6
145.10133	57.1
147.08057	8.5
147.11691	32.4
149.09618	14.4
149.13307	9.7
151.07564	10.2
151.11208	4.1
153.07019	3.9
154.07738	2.8
155.08572	20.5
156.09311	4.4
157.10141	27.9
159.08090	4.4
159.11693	33.6
161.09608	7.1
161.13286	18.2
163.11183	30.5
163.14784	3.9
165.07060	4.0
165.09088	4.5
166.07849	3.5
167.08508	9.7
167.10664	6.6
168.09271	3.5
169.10115	19.8
170.03807	2.2
170.10841	3.5
171.11711	28.2
173.09631	4.2
173.11833	3.1
173.13251	22.7
174.13652	2.6
175.11209	3.3
175.14836	10.6
177.09181	2.1
177.12778	3.2
179.08536	5.8
179.14323	3.2
181.10150	13.9
181.12224	52.7
182.10977	2.7
183.11702	20.7
185.09457	3.3
185.13252	19.7
187.11205	6.0
187.14793	9.9
189.11197	4.1
189.12773	5.9
193.10129	4.8
193.12177	2.3
194.11005	4.3
195.11731	13.4
197.13258	17.7
198.13985	2.5
198.15958	2.2
199.14870	7.9
203.14296	3.3
205.15927	14.6
206.11134	2.3
206.16182	13.0
207.11674	5.2
207.13708	3.3
209.13217	10.2
211.13094	2.3
211.14879	12.9
213.12822	3.4
213.16335	6.1
215.14349	4.7
215.17969	4.7
217.15819	2.8
219.11629	2.9
221.13237	8.3
221.15378	10.9
223.14815	6.7
225.12704	2.9
225.16406	7.9
227.18036	2.7
231.20992	3.2
233.13248	4.7
233.15417	4.1
235.14871	3.2
237.16365	7.0
239.16182	16.9
241.19550	15.4
247.16930	3.0
251.16368	3.9
253.19611	3.3
257.19006	8.7
259.20590	26.8
261.22110	2.7
265.19647	3.4
273.18542	3.4
275.20154	21.3
276.20419	3.9
277.21527	2.5
281.18741	2.5
291.19681	3.0
293.21188	4.4
297.21857	2.4
325.25031	2.6
331.22760	2.9
333.24457	18.2
335.25937	4.7
343.22403	2.5
349.23773	7.7
351.24942	4.7
363.26587	2.4
385.21280	14.2
421.31161	4.3
423.28705	9.3
435.32440	3.1
445.30789	2.7
495.34607	2.5
513.35901	19.7
515.37744	19.6
527.37689	10.0
533.39709	6.2
551.41473	4.9
555.35907	2.3
556.36908	3.8
569.36212	2.5
607.34174	3.1
607.43542	48.9
625.44843	40.8
629.41577	3.6
643.40948	20.7
661.42523	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.6
56.01395	0.8
56.05043	3.0
60.04528	1.3
68.05022	0.7
70.02956	24.9
70.06598	5.4
71.06102	1.0
72.04504	1.0
72.08166	1.1
74.00670	1.0
74.02448	3.5
75.72382	0.5
76.03998	7.6
79.68700	0.5
82.06575	1.8
83.06107	5.0
84.04507	16.8
84.08155	4.2
85.02894	1.3
86.09702	1.1
88.03989	2.5
91.05480	0.7
96.04481	1.3
99.05584	7.7
102.05544	0.5
103.05009	0.6
107.06071	0.9
108.04508	0.9
109.07633	3.1
110.06054	2.2
110.07191	0.8
112.03976	5.3
116.03430	2.9
117.06635	1.6
121.01092	1.9
124.03962	1.6
125.98272	0.5
126.05483	0.9
127.05038	2.2
128.03407	0.7
129.06609	4.7
129.10231	1.6
130.05005	18.6
135.02658	1.0
135.05531	1.2
136.03926	1.4
136.07599	1.2
137.00534	0.9
137.07108	1.9
145.06088	100.0
146.06364	0.6
147.04402	2.8
149.00586	6.9
153.06583	7.1
154.05011	0.6
155.08173	3.6
156.06541	0.8
157.02754	0.9
160.00636	15.2
160.05136	0.6
161.00586	0.9
161.02397	0.5
163.02139	5.1
163.03865	1.7
165.00066	4.7
165.06607	1.3
167.01624	0.9
169.06078	0.8
171.07744	0.7
173.00558	1.0
175.03804	1.0
175.06166	0.5
177.00107	0.7
177.03297	0.7
177.05464	0.8
179.01622	19.9
181.04767	0.8
181.06219	2.6
183.07634	0.8
187.05415	0.8
189.00038	1.8
191.01675	3.6
192.07690	1.0
192.99568	16.9
193.03203	3.3
193.06093	0.7
194.02719	13.9
195.01125	35.8
199.07162	7.9
201.00056	0.7
207.01108	10.1
208.04279	3.1
209.02693	4.3
209.05579	1.3
211.07144	15.1
218.02777	1.1
219.01125	13.0
223.00781	0.7
236.03783	5.5
237.02167	3.0
247.00476	0.6
256.09198	0.8
257.07709	1.8
264.03262	43.8
274.10370	4.0
297.05475	2.0
322.03830	14.5
339.06412	5.4
347.07016	1.3
365.07977	1.1
393.07651	5.5
405.07578	1.8
411.04013	1.9
423.08728	1.0
424.63992	0.5
428.06506	14.0
468.10873	2.2
513.41235	0.5
531.09204	23.2
585.10266	22.4
642.12598	1.0
643.10828	1.8
660.13422	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	660.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.5
56.05040	1.8
64.67252	1.4
70.02592	2.0
70.02955	27.3
71.51393	1.9
71.56456	1.5
74.00653	2.5
74.02444	3.1
76.04002	8.7
79.43788	1.4
83.06136	2.7
84.04508	14.1
88.03996	2.2
88.72352	1.5
99.05582	7.8
109.07634	1.8
110.06064	3.1
112.03976	2.4
116.03456	3.3
117.06599	2.0
117.55860	1.4
119.04892	1.6
129.06624	2.6
130.04999	14.1
137.07143	2.2
142.50819	1.8
145.06094	100.0
147.04457	6.1
149.00587	6.8
153.01128	1.8
153.06601	6.5
155.08191	3.8
160.00656	10.4
163.02084	3.3
165.00046	2.6
167.01749	1.9
179.01643	21.1
181.06114	2.2
191.01726	2.2
192.99536	13.9
193.03215	2.7
194.02675	7.6
195.01135	32.1
199.07098	7.5
207.01161	12.7
208.04318	2.6
211.07127	9.7
218.02719	1.8
219.01131	13.2
236.03761	5.8
237.02274	2.0
264.03281	35.7
274.10245	4.1
322.03882	9.5
339.06473	4.7
365.08508	2.1
383.04626	1.6
393.07571	4.9
405.07181	2.1
419.19919	1.5
428.06448	11.3
468.10306	2.8
531.09192	20.1
585.10266	21.2
660.13300	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	3.9
55.01816	12.8
55.05457	33.2
55.05752	2.9
57.03385	5.9
57.03839	0.6
57.07016	2.1
59.04966	1.4
65.03888	3.4
67.05445	52.8
67.05830	3.4
67.06008	1.9
69.03364	3.4
69.07070	26.1
69.07413	1.4
69.23650	6.0
71.05000	5.2
77.03879	1.2
77.19570	0.6
79.05498	52.3
79.05931	2.2
81.03429	5.1
81.07059	77.6
81.07739	2.5
82.07352	1.0
83.04988	13.1
83.08622	24.8
85.02911	4.5
85.06557	3.8
91.05484	44.2
91.06013	1.5
93.07049	43.0
95.01295	0.7
95.04974	45.6
95.08613	35.2
97.06538	15.9
97.10175	9.6
99.04470	6.6
99.08053	1.6
101.06003	0.8
103.05475	1.5
105.04523	1.3
105.07036	48.3
107.04961	15.4
107.08602	33.6
109.06525	18.0
109.10162	15.3
111.04449	10.7
111.08099	7.8
115.05455	1.3
116.06249	0.8
117.07018	16.9
119.06029	0.9
119.08585	34.0
121.06506	7.7
121.10154	22.8
123.04427	0.9
123.08077	8.2
123.11712	7.0
125.05925	1.1
125.09639	11.5
128.06198	1.2
129.06989	5.1
130.07758	1.5
131.08574	22.1
133.06450	2.3
133.10135	25.0
135.08067	7.8
135.11700	8.7
137.05884	1.0
137.09615	4.6
137.13206	1.3
139.11131	2.9
141.06929	1.9
142.07744	1.8
143.08606	5.4
145.06433	1.4
145.10138	23.8
147.08084	4.4
147.11696	21.5
149.09630	27.4
149.13264	4.9
151.07458	0.8
151.11131	2.7
153.09065	1.3
153.12726	1.0
154.07799	0.9
155.08574	3.3
157.09081	0.7
157.10135	5.9
159.07979	1.9
159.11711	14.9
161.09607	4.8
161.13272	5.1
163.11188	24.2
163.14777	1.5
165.09093	1.9
165.12773	5.0
167.10721	0.9
169.10127	4.4
171.10243	1.4
171.11644	4.8
173.09554	2.6
173.11906	1.0
173.13263	6.7
175.11169	2.3
175.14748	1.5
177.12750	4.6
179.10689	0.9
179.14297	1.8
181.09988	0.7
181.12233	1.8
183.11662	3.7
183.13641	0.9
185.09453	0.8
185.13206	2.2
187.11183	3.4
187.14798	1.8
189.11249	9.2
189.12762	1.3
191.10568	0.8
191.14278	1.7
193.12190	2.6
197.13263	3.6
199.14874	0.7
201.12723	1.1
201.16371	1.1
205.12259	3.3
207.13698	1.5
209.15242	0.7
211.14896	1.0
213.16391	1.1
215.10704	0.6
215.14308	1.2
215.18042	1.1
217.15901	1.1
219.13757	1.1
223.13293	33.2
227.12767	4.3
229.19545	4.8
233.15384	1.6
233.19016	0.8
239.18001	5.9
247.20667	4.4
257.19034	14.9
263.16296	5.4
265.21597	1.4
272.22150	0.6
273.18478	1.8
275.20071	100.0
276.20490	1.4
277.21399	0.9
279.15970	0.9
291.19485	2.3
293.21112	30.2
294.21365	1.0
311.22415	0.7
313.21326	0.8
331.22772	2.8
345.21445	0.7
349.23746	47.2
350.23892	0.8
351.25015	0.8
367.24765	19.2
549.39819	0.8
567.40649	1.0
621.53387	0.7
623.43024	10.3
641.44128	25.0
642.45618	1.1
659.45313	32.2
660.45990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
54.88751	1.3
55.01876	18.5
55.05515	57.0
57.03185	2.0
57.03447	17.5
57.07075	2.7
57.88898	1.4
59.04995	1.6
61.02931	32.0
61.03905	1.2
65.03953	4.0
67.05509	73.4
69.03436	14.5
69.06729	2.6
69.07073	32.4
70.42641	3.4
70.43007	2.4
71.01371	1.7
71.05003	11.4
73.02924	10.2
75.04479	3.7
77.03953	1.7
79.05499	69.4
81.03427	17.6
81.07061	77.8
82.48696	1.2
83.04980	26.1
83.08623	38.2
84.46118	1.2
85.02911	44.2
85.06583	3.5
87.04488	1.7
88.07644	1.7
91.03963	16.9
91.05486	54.7
92.05791	1.4
93.07048	65.9
95.04974	100.0
95.08613	48.5
97.02898	28.1
97.06539	12.3
97.10176	21.0
99.04457	18.1
99.08092	3.2
101.02409	3.3
103.03978	5.6
103.05486	1.5
105.04562	2.1
105.07032	45.9
107.04961	18.2
107.08598	59.2
109.02899	5.3
109.06530	19.1
109.10154	22.6
109.10829	1.7
111.04453	24.1
111.08075	9.6
115.03921	2.8
115.05479	2.7
117.05619	1.2
117.07034	19.4
119.08582	39.4
121.06506	11.0
121.10146	38.7
123.08076	12.8
123.11713	7.6
125.06011	1.8
125.09630	19.2
125.99841	1.3
127.03907	11.8
127.07603	1.4
129.05521	2.9
129.07051	9.6
129.81453	1.5
130.07825	2.2
131.08574	30.0
131.09528	1.8
133.06531	2.7
133.10144	22.3
135.08058	10.2
135.08972	1.6
135.11691	17.8
135.12581	1.5
137.09666	6.0
139.07574	1.5
139.11234	6.2
141.07001	3.8
143.08551	8.0
145.04976	8.8
145.06509	1.4
145.10130	39.5
147.08072	9.5
147.11679	19.0
149.02415	2.0
149.09622	38.3
149.10715	2.4
149.13304	5.3
151.11244	3.8
151.22127	1.4
153.09143	1.9
153.12825	3.6
154.07735	1.5
155.07349	1.4
155.08586	5.0
155.10689	2.2
157.10187	5.7
159.08138	1.5
159.11693	19.7
161.09663	3.9
161.13222	7.4
163.06104	2.2
163.11189	38.8
163.14886	2.2
165.09192	2.1
165.12819	6.3
165.76781	1.3
167.10733	3.4
169.10201	4.0
171.06635	2.2
171.10367	2.9
171.11761	8.7
173.09669	3.1
173.11865	2.9
173.13335	8.4
175.11223	4.8
175.14932	2.8
177.12781	6.4
179.10805	1.9
181.12294	3.7
183.06642	5.6
183.11772	4.5
185.13341	2.4
187.11285	4.9
187.14984	3.0
189.11224	15.0
189.12772	2.6
191.10681	2.6
193.05081	2.6
193.12315	2.4
195.11868	1.7
197.13420	3.7
198.11943	1.4
199.14967	1.7
201.07687	4.1
201.12845	2.5
204.03065	1.4
205.12253	8.8
207.11888	1.7
207.13780	1.6
209.13466	1.9
211.13330	3.0
213.16476	2.0
215.14413	1.9
219.08684	1.6
221.15535	1.8
223.13304	81.9
227.12961	5.2
229.19577	3.4
236.72012	1.4
237.18651	1.5
239.18073	5.7
241.19437	1.6
243.21251	3.4
247.20674	5.5
257.19040	13.1
259.20718	5.7
261.22238	10.6
263.16528	2.7
273.18619	3.0
275.20081	98.8
276.20493	3.3
291.19778	6.1
293.21143	62.9
331.22873	3.8
333.24289	5.1
335.25818	36.1
336.26544	1.5
349.23782	39.3
350.24121	2.4
363.25577	2.0
367.24796	19.7
367.28851	1.7
479.30188	3.1
517.35669	2.0
549.39850	1.7
623.42871	9.6
641.44037	35.7
659.45441	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.8
53.03947	5.9
55.01875	18.9
55.05515	74.4
57.03435	12.1
57.07068	3.3
65.03939	7.9
67.05510	91.6
69.03426	6.7
69.07069	45.0
70.75924	4.7
71.04988	9.2
77.03954	3.2
79.05498	88.8
79.10195	1.6
81.03446	10.4
81.07063	99.1
83.04989	33.4
83.08624	48.9
85.02895	8.2
85.06549	4.1
91.05489	62.3
93.06588	1.3
93.07049	76.6
95.04974	100.0
95.08610	47.7
97.06536	16.6
97.10170	34.3
99.04465	16.7
99.08091	4.8
99.41988	1.8
103.05489	3.5
105.04544	3.2
105.07037	63.0
107.04970	15.8
107.08604	66.1
109.06503	18.2
109.10170	26.7
111.04450	32.4
111.08093	16.4
115.05470	4.3
116.18200	2.1
117.07019	26.7
119.08584	55.8
121.06495	13.4
121.10160	39.8
122.57621	1.7
123.08077	23.3
123.11722	4.6
125.06000	2.6
125.09642	33.0
128.06201	4.6
129.07024	17.1
131.04874	1.7
131.08583	36.6
133.06506	3.0
133.10147	30.8
135.08049	13.7
135.11696	21.5
137.09647	8.7
139.11205	3.5
141.07037	5.6
142.07788	3.4
143.08537	11.5
145.06480	2.6
145.10130	46.7
147.08061	10.4
147.11688	24.3
149.09625	39.6
149.10768	2.9
149.13304	6.2
151.11139	3.2
153.09106	5.5
153.12764	5.3
155.08606	7.9
157.10120	12.1
159.08112	2.6
159.11671	26.3
161.09663	6.9
161.13240	15.3
163.07491	1.9
163.11182	48.0
165.09227	2.0
165.12787	6.2
167.08594	2.8
167.10654	2.2
169.10164	11.1
171.07956	2.0
171.10188	8.2
171.11711	11.3
173.09619	4.5
173.13219	12.1
175.11221	6.3
175.14848	6.6
177.12798	5.1
178.65778	2.0
181.10083	3.4
181.12291	7.9
183.11699	5.8
185.13280	7.4
187.11235	5.7
187.14896	4.5
189.11252	23.3
189.12787	3.0
191.10716	4.9
191.14462	2.7
192.09137	2.2
193.12221	4.2
197.13344	5.8
199.14888	4.9
205.12296	9.4
207.13557	2.2
211.13216	4.3
211.14970	2.6
213.16563	3.5
215.17929	2.2
221.13332	2.7
221.15512	2.2
223.13283	77.5
227.12766	17.3
229.14311	2.8
229.19560	3.3
237.14955	2.1
239.18036	5.1
241.19443	11.8
245.13524	2.7
247.20679	3.4
257.19019	15.9
259.20575	24.1
273.18634	10.8
275.20081	89.8
291.19559	32.6
293.21124	49.2
309.20709	5.2
315.23178	4.9
331.22919	2.0
333.24341	18.6
347.22717	2.1
349.23730	33.7
350.40698	1.9
351.25589	2.9
365.23380	8.1
367.24731	14.4
383.24219	9.1
439.32065	2.6
513.36578	4.4
517.35431	7.2
529.35529	3.9
531.38153	3.2
543.36926	4.4
549.39911	2.7
567.40265	2.4
605.42139	6.1
623.43018	27.6
641.44183	42.0
642.44763	2.5
659.45215	91.3
660.45880	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.7
53.03942	6.7
53.84728	1.4
55.01879	17.7
55.05517	59.9
57.03439	8.9
57.07064	4.2
59.04998	3.1
65.03935	5.7
67.05511	93.4
67.71300	1.3
69.03421	6.2
69.07076	41.1
71.04992	6.2
75.04472	5.1
77.03937	2.3
79.05502	70.0
81.03445	8.3
81.07064	100.0
83.04993	12.4
83.08624	27.8
85.02890	2.0
85.06559	7.2
89.06020	3.3
91.05489	54.7
93.07053	74.7
95.04984	18.5
95.08614	52.9
97.02863	1.6
97.06542	14.6
97.10184	35.1
98.20761	3.9
99.08106	3.3
103.05464	3.8
105.04562	2.9
105.07037	51.2
107.04969	13.7
107.08602	47.4
109.02877	2.6
109.06525	18.7
109.10162	35.8
111.04454	7.2
111.08076	7.6
111.11784	1.4
113.09662	1.8
115.05469	4.4
115.07645	2.6
116.06300	2.1
117.07030	23.0
119.04982	1.6
119.08588	43.0
121.06539	9.4
121.10155	22.6
123.04447	2.0
123.08087	8.9
123.11705	10.9
125.06020	1.7
125.09639	35.1
128.06244	4.5
129.06998	13.6
130.07745	2.0
131.08578	32.2
133.06493	4.8
133.10144	34.3
135.08076	18.7
135.11703	19.5
137.09633	15.0
137.13284	2.5
139.07538	3.2
139.11191	1.6
141.07005	5.8
142.07758	4.4
143.07628	1.9
143.08597	17.2
144.09288	1.5
145.06502	6.6
145.10135	30.0
147.08070	9.8
147.11714	17.0
149.09647	10.1
149.13281	9.3
151.11208	3.0
153.09134	5.4
153.12749	3.9
155.08629	7.5
157.10120	15.3
159.08104	8.1
159.11713	19.2
161.09618	9.6
161.13272	9.3
163.07545	9.7
163.11180	10.3
163.14819	4.4
165.07106	1.6
165.09166	2.0
165.12804	2.4
167.08571	2.2
168.09563	1.9
169.10156	10.2
171.08099	1.4
171.10295	2.9
171.11699	12.6
173.09618	5.7
173.11839	1.7
173.13243	13.6
175.11176	4.4
175.14848	5.8
177.09067	1.8
177.12704	3.6
177.16365	1.9
179.08638	1.6
179.10678	2.3
181.10033	7.3
181.12230	2.6
183.11713	9.9
185.09607	3.1
185.13280	10.0
187.11227	2.8
187.13235	1.9
187.14822	5.4
189.11238	21.3
189.12791	3.5
189.16270	1.7
191.10695	3.7
191.14397	1.5
193.10442	2.3
193.12238	14.9
195.11673	5.8
197.09560	1.5
197.13293	7.6
199.11171	3.1
199.14819	5.0
201.12688	4.0
201.16391	2.5
203.14319	2.7
205.10150	1.7
205.15926	2.2
207.11803	2.7
209.13284	3.8
210.66762	1.6
211.11247	1.6
211.13087	1.9
211.14853	4.5
213.12808	1.5
213.16364	3.6
215.14291	4.6
215.18027	1.7
219.13625	1.5
219.97522	1.4
221.13293	1.9
221.15306	2.7
223.14935	2.8
227.12781	31.3
239.14473	2.2
241.15790	1.8
241.19580	4.1
243.17575	1.9
243.21191	2.3
245.13821	6.9
253.15956	2.4
257.18985	3.0
259.20740	7.3
261.18500	4.7
261.22192	10.3
271.16992	6.5
271.20532	1.7
273.18497	3.8
273.22098	2.5
275.20129	9.6
277.21701	3.7
279.23309	1.7
283.15228	2.8
285.22095	3.2
287.23682	2.7
289.18015	24.7
291.19717	9.6
293.21155	1.6
295.20529	2.1
299.23608	3.1
307.19150	5.3
315.23099	2.7
317.24878	2.6
327.23209	2.4
329.24820	1.5
331.22510	2.0
333.24316	5.0
335.25861	33.0
349.23825	3.0
363.21710	7.3
365.23373	4.1
379.30182	4.5
381.22815	19.0
381.27399	3.0
397.31143	14.4
415.32303	2.3
469.33362	2.1
499.34067	6.4
505.34375	1.5
513.36060	5.7
515.37567	7.2
517.35364	2.3
527.37524	2.4
531.37799	6.3
533.38586	3.4
543.36859	10.4
549.39325	4.1
559.35919	1.7
561.37805	1.9
567.40265	6.3
571.36237	2.8
572.37354	1.6
605.41968	6.3
623.43115	53.4
641.44257	73.6
642.43665	2.9
659.45337	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	659.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
53.03947	6.4
55.01871	11.0
55.05513	53.3
57.03442	10.4
57.07071	3.3
59.04986	2.7
62.39559	1.2
62.61464	1.1
63.86690	1.0
65.03922	3.9
67.05506	74.5
69.03416	5.2
69.07070	35.6
69.81171	2.9
69.81564	3.2
71.04986	7.3
71.08610	2.8
75.04481	3.7
75.16072	1.1
79.05494	66.3
81.03437	6.3
81.07057	100.0
83.04986	13.5
83.08154	1.7
83.08621	27.1
85.02884	1.8
85.06052	1.3
85.06538	4.9
89.06020	3.0
91.04908	2.6
91.05482	48.1
93.07044	70.8
95.04964	15.9
95.08610	52.6
97.02908	1.2
97.06537	8.5
97.09550	2.0
97.10170	33.1
99.04439	2.6
99.08103	3.5
103.05467	2.4
105.04517	2.6
105.07034	49.1
105.72061	1.2
107.04948	10.1
107.07875	2.5
107.08595	45.3
109.02843	2.8
109.06522	20.3
109.10157	29.9
111.04449	5.5
111.08100	6.0
113.06044	1.2
115.05441	2.8
115.07539	2.8
117.07018	21.4
119.08587	42.6
121.06483	5.9
121.09316	2.2
121.10139	24.0
123.04435	2.1
123.08047	8.6
123.11741	6.8
125.09636	22.0
128.06236	3.0
129.07013	10.6
131.08565	28.8
133.06448	4.3
133.08614	1.6
133.10130	29.5
135.08051	15.9
135.11682	17.7
137.09624	11.2
137.13231	1.7
139.07518	1.7
139.11162	2.1
141.07008	4.2
142.07701	3.1
143.08568	15.0
145.06490	4.0
145.10115	22.6
147.08017	6.5
147.11696	19.8
149.05905	1.4
149.09612	5.0
149.13263	9.4
151.11153	3.6
153.07010	1.5
153.09102	4.3
153.12718	3.3
154.07704	1.8
155.08583	7.5
156.09296	2.3
157.10109	13.5
159.08070	6.3
159.11690	17.6
161.05992	1.3
161.09668	8.4
161.13258	9.4
163.07568	6.8
163.11194	6.7
163.14810	3.9
165.09116	1.7
165.12846	1.6
167.08611	3.5
169.10106	8.3
170.10909	1.9
171.08015	2.8
171.10272	2.9
171.11684	10.3
173.09647	3.7
173.11906	2.0
173.13254	11.7
175.11221	5.6
175.14853	4.1
176.51010	1.4
177.09183	1.7
177.12727	3.3
179.10692	2.2
181.10136	3.8
181.12306	1.6
183.08038	1.7
183.11736	7.9
185.13228	6.7
187.11134	3.0
187.14853	5.8
189.08931	1.6
189.09476	1.7
189.11229	14.6
189.12740	2.5
189.16371	2.2
191.10707	1.8
193.10292	1.9
193.12212	11.6
194.10719	1.3
195.11745	3.2
195.13716	2.3
197.13214	7.7
197.37456	1.4
199.11137	2.0
199.14839	5.2
201.12691	1.4
201.16336	1.6
203.14418	1.4
205.16006	1.2
207.11734	1.7
209.13261	3.5
209.15237	1.8
211.14803	4.6
213.12743	1.7
213.16429	3.5
215.17992	1.6
217.15849	1.5
221.13307	2.2
223.13141	1.6
225.16386	3.8
227.12730	17.5
227.14612	1.5
227.17961	1.8
233.15329	2.5
237.16451	2.9
239.17989	2.5
241.14377	2.1
241.19542	2.7
243.17409	4.1
243.21089	3.6
245.13803	2.7
245.19049	1.7
255.17442	1.3
257.18948	3.2
259.20636	5.6
261.18484	4.7
261.22131	10.2
271.16977	7.2
271.20175	1.5
273.18594	3.5
273.22079	3.0
275.20120	9.4
277.21600	2.7
279.23059	2.0
283.15411	1.5
285.22079	1.8
287.23639	2.4
289.14966	2.3
289.17981	26.4
289.21277	1.6
291.19531	5.0
299.23630	2.0
301.24884	1.6
307.19095	5.7
307.22632	2.3
313.21655	2.0
315.23419	1.4
317.24741	2.7
317.42374	1.2
323.23331	1.6
327.23242	1.7
329.24832	2.3
331.22693	2.5
333.24277	3.7
335.25818	46.7
336.26123	1.5
349.23672	3.3
363.21619	10.5
379.29883	5.0
381.22617	16.2
381.26956	2.4
387.25241	1.5
397.30966	11.9
415.32031	1.7
435.33090	1.8
471.34573	1.9
499.34271	2.8
513.35938	3.3
515.37079	4.0
517.34888	2.9
525.35535	1.7
527.37030	2.9
531.37225	4.3
533.25018	1.3
543.36322	6.6
549.39197	4.6
561.37634	3.3
567.40149	4.6
571.36279	1.6
605.41425	3.6
609.45551	2.6
617.67737	1.6
623.33502	2.7
623.43054	36.0
624.42743	1.7
627.45593	1.3
627.86731	1.3
641.44080	53.4
642.43768	1.5
659.45001	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	659.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.5
52.75467	1.1
53.03949	6.2
55.01656	1.3
55.01876	11.9
55.05515	46.2
55.87977	1.3
57.03439	9.0
57.07081	6.0
59.05002	3.1
61.17788	1.4
63.93242	1.2
65.03938	5.4
67.05508	73.5
69.03442	6.1
69.07072	28.8
71.04996	6.4
71.08647	2.0
73.06572	1.4
75.00008	2.3
75.04484	3.5
79.05499	65.9
81.03421	6.4
81.07059	100.0
83.04984	10.3
83.08623	20.3
85.02917	1.4
85.06535	10.9
91.05484	58.9
93.07050	56.0
95.01278	1.2
95.04977	15.2
95.08614	40.3
97.06544	11.5
97.10183	16.2
98.20789	2.4
99.08070	3.4
103.05464	3.1
105.04509	1.9
105.07037	56.4
107.04952	8.7
107.08605	35.8
109.06525	15.3
109.10161	26.1
111.04458	2.8
111.08082	5.9
115.05473	4.6
115.07581	9.8
117.07024	29.1
119.04997	1.2
119.08589	45.5
121.06510	6.2
121.09325	2.0
121.10149	22.1
122.64208	1.3
123.08060	9.7
123.11719	4.3
125.09641	10.6
128.06189	6.4
129.07022	23.1
130.07805	2.5
131.08580	40.5
133.06474	3.0
133.10130	31.7
135.08051	7.9
135.11691	12.2
137.09631	7.0
137.13248	1.7
139.11130	2.2
141.07004	10.3
142.07770	5.4
143.08572	31.5
144.09373	2.3
145.06506	4.4
145.10130	34.8
147.08035	5.9
147.11679	21.2
149.09641	9.7
149.13319	6.0
151.11153	2.9
153.06996	3.0
154.07767	1.9
155.08586	15.5
156.09311	3.0
157.10144	24.0
158.10828	1.4
159.08058	4.0
159.11702	22.7
161.09641	5.1
161.13258	10.0
163.11169	6.7
163.14813	2.2
165.07039	2.9
165.12723	1.5
166.07774	1.6
167.08594	9.2
168.09286	3.5
169.10150	19.7
171.08075	2.1
171.11676	19.6
173.09605	3.4
173.13258	15.4
173.20767	1.2
175.11218	4.1
175.14851	5.6
177.12732	2.5
178.07791	1.5
179.08583	5.3
179.10713	1.4
179.14294	2.0
181.10146	11.9
181.12231	2.2
183.08028	1.9
183.11710	17.2
185.09654	1.9
185.13251	15.2
187.11166	4.1
187.14786	5.8
189.11195	5.6
189.12834	3.2
191.14278	1.5
193.10152	5.4
193.12144	2.1
195.11705	11.9
197.09613	2.1
197.13310	14.4
199.11162	3.2
199.13266	1.3
199.14813	9.5
201.12907	1.9
201.16418	2.2
203.14288	2.3
205.10132	3.0
205.15918	5.9
207.11723	7.0
207.13593	1.7
208.12373	1.4
209.13264	11.5
211.11240	2.1
211.14806	6.9
213.12933	1.8
213.16422	5.1
215.18005	1.4
219.11662	2.5
219.17378	2.2
220.12439	1.8
221.13283	6.5
221.15349	2.6
223.11296	1.6
223.13036	2.1
223.14880	5.5
225.12714	1.9
225.16370	4.1
227.10893	1.6
227.12630	6.6
227.18013	2.6
229.19473	1.9
231.21175	1.7
233.13260	2.5
235.14825	6.6
237.16389	5.1
239.17975	5.5
241.19560	6.4
243.17279	1.4
247.14798	2.1
249.16429	2.3
251.18016	4.9
255.17505	2.4
257.19003	9.1
258.19858	1.4
259.20648	13.4
261.16388	2.5
261.22165	1.3
263.17877	1.8
265.19708	1.8
267.21301	1.4
271.16910	1.7
273.18497	7.4
275.20120	19.5
277.21799	2.0
281.19061	1.9
285.18631	1.5
289.18073	1.6
291.19440	8.7
293.21396	1.9
295.20557	2.3
297.21921	1.9
301.21658	1.7
309.16122	2.1
309.21637	1.3
310.22849	1.2
311.19952	1.3
313.21765	2.5
315.23230	3.6
323.23752	1.8
325.21628	2.2
333.24384	8.5
337.21466	1.9
347.22827	2.2
349.23950	8.1
367.25208	1.4
377.28381	3.2
379.29956	3.8
381.27829	1.6
383.19916	2.9
383.24588	1.5
387.26022	1.6
389.28455	3.4
407.29260	5.8
421.30954	3.2
423.32831	3.4
445.31094	1.7
463.31818	1.9
481.33176	4.1
485.37283	2.3
495.35400	2.7
499.34247	18.9
513.37067	8.2
515.36908	1.2
531.38416	9.4
543.36603	1.5
549.40295	5.7
554.35999	2.9
567.36163	5.4
583.40424	1.3
585.37134	4.4
587.40466	1.6
603.38123	2.1
605.32928	2.1
605.42078	24.2
619.77222	1.5
623.43079	59.5
623.53394	2.8
641.38953	14.3
659.40692	86.6
660.41168	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	659.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.3
65.03933	0.3
67.05495	0.5
69.03419	0.4
69.07049	0.4
70.06590	2.0
71.53362	0.3
72.08140	0.5
81.07069	0.2
83.48349	0.3
84.04482	0.6
84.08136	0.7
85.02919	0.3
86.09682	0.9
91.05479	0.3
94.06566	1.1
95.07323	0.6
96.08118	0.4
97.02901	0.4
103.05428	0.3
105.07047	0.3
108.08077	0.2
120.08113	1.3
122.05177	0.5
122.06029	8.9
127.03916	0.5
129.10217	0.6
130.06511	0.3
133.10126	0.5
136.07532	0.4
137.09615	0.4
138.05478	0.9
144.04417	0.2
146.06023	1.4
147.04411	0.2
148.07622	0.4
158.06036	0.5
158.09605	0.3
160.03949	0.4
160.07573	1.0
164.07104	0.4
166.04970	0.5
170.99835	0.2
172.03894	0.4
174.07822	0.4
174.09143	3.2
178.05049	0.3
182.09657	0.8
184.07503	0.3
184.09796	0.3
184.11287	0.4
185.08342	2.2
186.05486	0.3
186.09120	0.3
191.14252	0.4
194.08421	0.6
195.09177	1.2
196.09935	0.7
196.11441	0.3
197.10754	0.6
198.09142	0.8
198.11397	0.4
199.08653	0.3
199.12271	0.3
200.10793	0.5
204.06534	0.5
207.09221	0.3
208.09888	0.7
209.10722	4.1
210.11508	2.7
211.08755	0.3
211.12297	1.6
212.09058	0.3
212.10831	0.6
213.10159	0.7
213.13808	0.4
214.10884	1.5
221.10660	0.3
223.08823	1.4
223.12294	2.9
224.13049	1.0
225.10155	4.2
225.13878	1.0
226.10959	0.9
227.11807	1.6
229.13332	0.3
235.08690	0.6
235.12410	0.5
236.09480	1.0
237.10223	9.3
238.11015	3.1
239.11777	5.3
240.12573	2.1
241.09721	0.9
241.13379	0.7
242.10414	4.5
243.11288	0.8
249.10330	0.4
250.11037	0.3
251.11809	4.9
252.12572	4.5
253.09761	0.7
253.13348	4.3
253.15993	0.3
255.11275	2.8
256.12048	1.4
257.12842	0.6
263.08121	0.4
264.08954	0.6
265.09641	1.4
266.10556	0.8
267.11279	0.3
268.08698	0.3
268.12033	0.6
269.12808	2.1
272.11639	1.1
278.10593	0.3
279.11307	2.0
280.12070	19.4
281.12833	12.0
283.10773	2.5
285.12329	1.7
292.08575	0.3
297.12332	4.6
298.13177	0.4
299.13892	1.5
301.11801	0.4
303.13358	0.6
305.09097	0.6
307.10855	1.3
310.09445	1.7
323.10272	0.8
325.11819	100.0
326.12228	1.3
339.13480	0.4
343.12878	58.3
344.13327	0.8
351.09744	0.7
369.10986	0.7
469.72882	0.2
583.25537	15.3
584.25525	0.5
609.23486	0.6
627.24902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
55.05517	5.5
57.07077	56.3
59.04998	1.1
67.05505	6.0
69.07068	11.1
71.04980	1.1
71.08633	49.4
73.02898	0.8
73.06555	7.1
77.32951	0.8
79.05497	4.9
81.03420	0.8
81.07051	6.7
82.07375	0.7
83.05008	1.0
83.08625	6.0
85.06553	1.4
85.10185	32.8
87.04473	8.3
87.10238	0.6
89.06033	100.0
91.05491	5.3
91.07594	1.0
93.07037	5.2
95.01978	0.6
95.04966	2.5
95.08608	3.6
96.05322	0.9
97.06531	1.5
97.10168	4.3
99.11741	8.2
99.12345	0.9
105.07027	4.8
106.07364	1.2
107.04992	1.1
107.07054	2.2
107.08582	4.0
109.06547	1.3
109.10178	1.9
110.10492	0.8
111.04464	0.7
111.08111	0.7
111.11732	5.0
113.13280	7.4
113.51871	0.7
115.07586	0.7
117.07020	1.8
117.09132	8.4
117.09935	0.9
118.07358	0.8
119.08596	2.5
121.06509	0.9
121.10167	2.7
123.08098	1.2
125.09623	1.2
125.13280	2.9
127.14819	3.7
130.08636	3.7
131.07042	3.5
131.08598	1.7
132.08939	1.1
133.08609	70.9
133.10217	1.9
135.10185	1.6
135.11696	1.6
137.09612	0.8
143.08578	1.0
145.10150	3.0
146.10545	0.8
147.11705	1.4
149.09610	1.5
155.08551	0.8
159.11717	1.1
161.09746	1.1
161.11713	3.1
163.11250	1.6
173.13368	0.8
175.09674	2.8
177.11237	29.2
179.12759	0.9
183.21143	1.9
189.11174	1.0
221.13835	9.4
222.45506	0.6
223.15361	1.2
227.23711	1.0
239.14885	1.1
265.16553	1.9
267.18054	0.8
271.26379	5.6
273.18582	0.9
275.20184	2.3
283.17587	3.0
291.19437	1.2
292.19843	1.4
309.19186	1.5
315.28967	5.8
327.20236	2.2
349.23883	0.7
350.24127	1.0
371.22769	1.6
397.24396	0.9
415.25739	1.1
421.35526	0.7
459.28033	6.2
483.59659	0.8
517.39435	1.3
597.44958	1.0
640.42731	2.3
641.48395	14.5
658.41040	1.1
658.52045	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	658.51
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.5
57.03448	0.6
57.07079	30.9
59.05009	0.5
62.44570	0.5
62.51942	0.5
66.53657	0.4
67.05506	3.2
68.78825	0.5
69.07069	4.9
70.15157	0.5
71.05010	0.6
71.08636	28.3
71.52984	1.0
73.02915	1.0
73.06553	8.4
76.35111	0.5
76.50375	0.5
79.05491	2.9
81.07052	3.9
83.04974	0.6
83.08626	2.8
85.10186	17.5
87.04473	9.0
89.06035	100.0
91.05490	3.0
91.07590	1.1
93.07056	3.5
95.04968	1.5
95.08607	2.8
97.06540	0.6
97.10186	4.0
99.11728	3.0
105.07056	2.9
107.07092	0.9
107.08595	1.7
109.06554	0.9
109.10159	1.3
111.11738	3.5
113.13291	2.0
117.07040	1.2
117.09134	7.0
119.08615	2.1
121.10166	1.6
123.11742	0.6
125.13272	0.8
127.14835	1.5
130.08633	3.0
131.07056	2.3
131.08554	0.8
133.08607	56.6
133.10219	2.2
135.10202	0.7
135.11687	1.1
141.16426	0.9
143.08530	0.8
145.10141	2.0
147.11711	0.7
149.09637	1.0
155.08546	0.7
159.10258	0.5
159.11757	1.1
161.11726	2.5
163.11174	1.0
166.21971	0.6
173.13264	0.5
175.09715	2.0
177.11227	27.1
183.21129	3.9
221.13853	5.5
227.23608	2.6
239.14923	0.8
257.19055	0.9
265.16559	2.2
271.26315	9.5
275.20197	1.8
283.17639	1.7
309.19043	1.2
315.28952	6.0
327.20441	1.1
335.25607	0.7
349.23727	0.9
353.21890	0.8
371.22864	1.1
392.81467	0.6
415.25696	1.5
459.28110	6.2
534.26892	0.5
546.94885	0.6
547.46106	0.6
581.40057	1.4
597.45575	1.3
623.43127	0.6
641.48322	8.7
658.51794	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	658.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01852	0.5
55.05510	1.6
56.05019	0.2
57.07078	7.1
58.06603	1.9
62.51456	0.2
65.03930	0.9
67.05506	1.5
68.05852	0.3
69.03420	0.3
69.07051	1.2
69.78589	0.5
69.78989	1.0
70.06595	16.4
71.08639	2.5
72.08143	0.5
79.05487	1.9
81.07060	2.4
83.04974	0.4
83.08619	0.4
84.08123	0.5
85.10179	0.8
86.09691	0.3
88.07633	20.6
91.05476	1.6
93.07053	1.2
94.07400	0.3
95.04961	1.0
95.08601	1.3
97.06511	0.5
97.10151	0.5
102.09185	16.3
105.03378	0.5
105.07006	1.1
106.07379	0.3
107.04935	0.5
107.08599	1.1
109.06507	0.4
109.10137	0.5
111.04385	0.3
111.08089	0.3
112.66006	0.2
117.07022	0.6
119.08565	1.1
121.02850	0.4
121.06488	0.4
121.10137	0.7
123.08051	0.6
125.09629	0.5
129.06949	0.3
131.04956	0.5
131.08530	0.6
132.08960	0.3
132.10190	0.5
133.10089	0.4
135.11581	0.3
143.08562	0.4
145.10132	0.6
147.04382	1.0
147.07967	0.4
147.11639	0.5
149.02351	35.2
149.09608	0.6
159.11740	0.4
163.11188	0.5
175.03905	1.1
177.05464	1.0
191.06981	0.4
193.04971	44.5
194.05330	0.5
212.23758	0.8
219.06544	1.1
221.57738	0.3
225.05486	1.2
227.12706	0.3
237.07587	12.8
240.08487	0.3
256.26358	42.5
257.19131	0.5
257.26813	0.3
269.04395	1.5
273.18500	0.7
274.18796	0.6
275.20096	0.9
276.20444	0.8
279.15790	0.3
291.19507	0.9
292.20102	0.4
297.04007	1.8
300.28900	1.4
313.07071	2.2
341.06570	8.8
343.08057	0.4
349.23703	0.4
350.24219	0.4
359.07651	7.4
365.23260	0.5
366.23511	0.3
385.09195	20.3
403.10071	0.3
429.11838	25.2
436.03156	0.3
622.41589	0.5
640.34436	0.7
640.43103	1.0
658.35846	100.0
659.36212	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.0
53.03942	7.4
55.01877	13.2
55.05512	76.9
57.03439	16.3
57.07077	4.7
58.81968	2.1
61.56195	1.9
65.03934	3.3
67.05508	81.4
69.03424	5.1
69.07068	32.4
69.17156	2.1
71.05006	10.0
71.08620	2.2
73.06559	2.9
79.05494	62.1
81.03420	7.4
81.07060	83.1
83.04970	10.3
83.08621	55.7
85.06535	7.7
89.06039	2.0
91.05481	77.0
93.07046	70.6
93.07642	3.9
95.04966	28.7
95.08611	52.7
97.06535	9.1
97.10183	10.6
105.04520	3.2
105.07034	66.9
107.04967	22.2
107.08601	41.4
109.06518	16.9
109.10158	28.4
111.04443	2.3
111.08124	11.0
113.05994	4.6
113.09682	2.6
115.05434	3.5
115.18122	2.1
116.06226	2.1
117.07034	26.6
119.08582	56.3
120.52180	2.0
121.06491	7.4
121.10143	26.4
123.08060	10.7
123.11700	2.7
125.09624	8.9
128.06207	6.8
129.07010	17.1
130.07753	3.1
131.08571	47.4
133.06453	4.9
133.10141	45.8
135.08090	9.6
135.11720	16.4
137.09618	5.4
139.11119	3.3
140.68077	1.8
141.06993	8.4
142.07773	7.2
143.08560	23.7
144.09412	2.2
145.06453	3.4
145.09061	3.0
145.10130	42.0
147.08070	7.9
147.11679	31.4
149.09608	14.8
149.13261	8.9
151.11226	3.7
153.43907	2.0
155.08571	13.1
157.10112	18.1
158.10886	2.5
159.08115	4.2
159.11693	30.4
161.09604	6.5
161.13249	19.2
163.11171	17.7
163.14830	2.5
165.09077	2.8
165.12782	5.5
167.08530	5.4
169.10176	12.8
171.11687	21.5
173.09651	3.6
173.13258	19.7
175.11194	6.4
175.14803	10.4
177.12726	4.9
179.08615	3.9
179.10561	2.4
181.10187	7.2
183.11697	13.0
185.09631	2.2
185.11725	4.8
185.13278	18.8
187.11290	5.0
187.14856	9.0
189.11209	3.3
189.12773	5.0
191.08322	2.0
191.10703	2.3
193.10051	2.1
195.11748	5.5
197.13293	8.1
199.11287	2.1
199.14806	7.5
201.12706	2.3
201.16426	3.5
205.12192	2.8
207.11720	2.5
209.13318	8.7
211.14844	8.4
213.16365	5.1
215.14441	3.0
215.17960	3.8
217.15909	2.7
219.11710	2.4
221.13312	3.0
223.13019	2.5
223.14905	5.7
225.16382	2.7
227.12627	3.9
227.18053	2.3
229.19527	4.6
230.21581	2.0
233.15303	3.5
237.16458	3.2
239.17943	8.5
241.19522	18.1
243.21048	2.6
255.17630	2.8
257.16412	2.8
257.18997	16.7
259.20587	28.5
265.19669	2.2
273.18478	14.9
275.20087	40.9
275.22833	3.9
277.21722	4.0
279.16010	5.8
291.19598	13.6
293.20975	5.4
315.22992	9.5
331.22684	3.4
333.24258	33.3
335.25870	6.3
342.03867	2.1
347.22119	4.9
349.23737	29.1
351.25259	3.0
365.23322	7.2
367.24945	2.6
381.26367	9.3
386.91293	2.2
407.29407	3.5
419.29025	2.3
423.32623	6.2
481.33173	3.6
497.36325	10.6
499.34067	24.0
513.36108	4.6
515.38892	4.7
533.40076	4.2
551.40607	2.8
559.39478	2.5
572.47870	2.2
607.43622	40.3
621.41541	4.2
625.44666	100.0
626.45087	2.7
639.43793	23.5
657.44110	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	657.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.5
53.03955	10.1
55.01875	17.4
55.05268	2.0
55.05516	28.1
57.03194	1.8
57.03445	22.0
57.07077	3.5
59.04997	2.2
61.64087	1.1
62.80026	1.1
65.03941	6.4
65.39362	1.0
65.47735	1.1
67.05508	88.2
69.03426	5.3
69.07070	25.5
70.85100	1.2
71.05011	11.1
77.03874	1.6
79.05498	75.5
81.03413	15.7
81.07062	100.0
83.01332	1.9
83.04982	13.5
83.08617	16.5
85.02946	1.6
85.06539	7.1
86.00348	1.3
86.10163	1.6
91.05487	74.7
93.07047	68.0
94.04204	1.3
94.07378	1.2
95.01342	3.3
95.04979	41.7
95.08611	47.7
97.02878	3.2
97.06526	17.6
97.10167	8.9
99.08102	4.4
103.05463	4.7
104.06292	1.2
105.04531	3.2
105.07035	67.8
107.04427	0.9
107.04964	33.0
107.08595	37.8
107.09303	2.2
109.02904	1.7
109.06522	42.6
109.09011	1.2
109.10168	20.8
111.04452	5.0
111.08081	9.0
112.05256	2.0
113.06020	9.2
115.05479	4.0
117.07019	37.6
119.04967	3.6
119.08582	46.5
121.06508	14.6
121.10149	24.0
122.07307	3.2
123.04471	4.1
123.08075	14.9
123.11726	5.3
125.05984	1.2
125.09644	8.4
128.06198	6.7
129.05498	3.2
129.06998	18.0
130.07796	2.9
131.04968	2.7
131.08577	40.0
131.09541	2.4
133.06506	11.5
133.10141	32.3
135.08057	19.9
135.08983	1.3
135.11696	18.5
137.06012	1.6
137.09618	6.3
139.07524	1.6
139.11191	2.3
141.06987	8.3
142.07799	4.9
143.08571	20.7
143.09689	1.2
144.09401	2.3
145.06483	10.2
145.10127	33.4
146.10582	1.4
147.08051	12.6
147.11699	21.8
148.08878	1.3
149.09619	10.7
149.13275	9.2
151.07587	2.0
151.11211	5.4
153.07018	1.4
153.09105	2.6
154.07803	2.6
155.08586	10.3
155.48514	1.3
156.09390	3.0
157.10152	17.7
159.08061	7.3
159.11705	25.0
159.13025	1.4
161.09628	15.5
161.13255	11.6
162.10374	1.4
163.11157	11.8
163.14832	2.3
165.06914	1.5
165.09213	1.3
165.12793	2.3
166.07919	1.8
167.08575	4.6
169.10124	11.6
171.08067	2.1
171.11671	14.3
173.09659	4.4
173.11873	1.6
173.13271	12.3
175.11223	4.5
175.14839	5.3
177.09100	2.0
177.12767	9.0
179.08553	2.1
179.14383	4.1
181.10176	4.8
181.12195	1.5
183.11636	6.3
185.09683	3.9
185.13240	11.3
187.11182	6.5
187.14864	5.2
189.11240	3.1
189.12804	4.1
193.10284	3.1
193.12398	2.6
195.11751	3.8
195.13869	3.8
196.12447	1.5
197.13310	5.0
199.11238	2.3
199.14876	5.0
201.12825	3.0
201.16490	2.7
203.14464	4.1
205.10280	1.6
205.12292	2.3
205.15945	2.3
207.11763	2.6
209.13315	3.1
211.14880	2.4
213.12770	3.6
213.16425	2.6
215.14447	1.7
217.15955	4.7
221.13449	2.9
221.15343	2.1
223.11443	1.5
223.13327	4.3
223.15120	1.7
227.12837	2.9
229.14268	2.5
229.19470	1.5
231.20963	1.6
233.15485	4.4
235.14935	1.8
235.17021	1.4
237.16495	2.1
239.17998	4.1
241.14423	3.7
241.19521	5.5
245.13362	1.3
249.16383	1.5
255.17525	3.2
257.16403	1.4
257.19009	8.5
259.20569	13.8
273.18533	21.6
273.21313	2.0
275.20084	34.5
277.21802	2.2
279.15927	15.2
281.22604	1.2
285.22192	1.5
289.17987	2.1
290.18829	1.8
291.19583	40.5
293.21216	3.4
297.22293	1.5
299.20322	1.4
307.19476	2.1
307.22839	2.8
313.21960	1.5
315.23425	3.1
323.57101	1.3
329.20917	2.0
331.22479	1.7
333.24246	15.0
335.26010	1.2
343.26349	1.9
347.22073	8.5
349.23792	12.9
365.23224	6.0
367.24686	1.7
381.22485	7.9
529.36969	2.6
547.36932	1.8
565.39117	3.3
581.39136	1.7
583.40228	4.4
585.55481	1.4
593.39087	1.5
605.42291	3.8
607.43835	3.6
611.40619	2.4
621.41431	9.4
622.42169	1.4
623.43054	9.0
625.44696	2.7
639.42456	47.2
640.42084	1.4
657.43713	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01877	13.7
55.05513	28.1
57.03442	6.9
57.07079	1.7
59.04993	1.3
62.50058	0.8
65.03936	4.5
67.05507	50.4
69.03423	3.3
69.07071	25.2
69.07400	0.6
69.51890	0.9
70.11467	2.3
71.05016	4.8
71.61314	0.8
77.03957	1.0
79.05494	53.4
81.03418	6.7
81.07059	100.0
83.04993	13.5
83.08617	15.8
85.02908	2.5
85.06535	2.9
88.84341	1.1
91.05482	42.7
93.07046	38.5
93.07641	2.0
95.04974	22.4
95.08611	28.9
97.02927	0.9
97.06536	12.0
97.10168	12.3
99.04460	2.9
99.08101	2.7
103.05454	2.0
105.03404	1.3
105.04494	1.7
105.07033	41.0
107.04947	14.2
107.08598	32.9
109.06530	19.0
109.10157	14.2
111.04443	9.4
111.08075	7.2
115.05444	2.0
116.06279	1.2
117.07014	19.8
119.04975	1.4
119.08585	41.9
121.06520	7.3
121.10146	17.3
121.95413	0.9
123.04460	1.6
123.08068	15.5
123.11732	5.4
125.06003	1.1
125.09629	9.8
128.06236	3.0
129.07001	8.4
130.07805	1.7
130.42921	0.9
131.08568	24.0
132.05815	1.2
133.06456	4.3
133.10132	22.9
133.11090	1.3
135.08041	8.6
135.11711	9.4
137.09599	6.5
139.11226	1.3
141.07024	2.4
142.07803	2.0
143.08578	8.2
145.06496	4.5
145.10123	21.1
147.08055	9.9
147.11687	14.9
147.12788	1.1
149.09618	14.7
149.13219	6.0
151.11185	3.2
153.09074	1.2
153.12750	5.5
155.08592	3.3
155.10648	1.0
156.09390	1.1
157.10167	9.5
159.08081	4.6
159.11679	12.3
161.09610	9.8
161.13240	5.5
163.11189	19.1
163.14856	1.3
165.09145	3.2
165.12772	3.5
167.08623	1.8
169.10103	4.3
171.11610	5.0
173.09636	3.5
173.13261	6.4
175.11154	4.3
175.14861	2.1
177.12805	3.4
179.10704	1.0
179.14380	2.2
181.10126	1.9
181.12274	5.0
183.11731	3.3
185.09639	1.6
185.13312	2.8
187.11240	2.5
187.14876	1.4
189.11240	8.1
189.12811	3.2
191.10703	3.4
191.14267	1.6
193.12332	3.4
195.11739	1.9
197.13319	2.5
199.11153	1.4
199.14845	1.0
201.12791	1.5
205.12239	2.2
207.13802	1.1
209.13335	2.5
211.14980	1.2
213.12775	1.3
213.16350	1.3
219.13791	1.4
223.13356	3.6
227.12730	8.5
227.17952	2.0
229.19560	2.4
237.16452	1.8
239.18092	3.0
245.19110	3.5
247.20755	3.2
249.14824	1.9
253.19580	1.0
255.17520	3.4
257.19031	9.6
263.20389	1.0
267.16031	1.4
271.16928	1.2
273.18506	34.8
275.20078	54.2
291.19534	35.7
292.20047	1.7
293.21155	6.2
311.19983	1.5
313.21405	1.0
329.21164	2.5
331.22818	3.5
347.22168	15.9
349.23727	23.3
355.26495	0.9
365.23218	18.4
367.24811	7.2
397.26938	1.0
461.46909	1.0
462.73303	1.0
513.22937	1.1
515.34045	1.4
519.33228	1.0
529.35968	2.1
539.67133	0.9
543.37177	1.1
547.37793	1.8
565.38861	2.6
583.40326	1.9
621.41681	7.5
639.42523	28.8
657.43622	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03937	7.0
53.85095	1.3
55.01875	14.5
55.05515	61.7
57.03444	10.5
57.07079	4.8
64.54828	1.6
65.03945	4.7
67.05510	74.1
69.07074	40.3
71.28557	1.4
77.03926	2.1
79.05500	65.0
81.03432	6.0
81.07060	88.4
83.04970	9.9
83.05987	1.4
83.08624	33.6
83.83695	1.5
85.02880	2.5
85.06551	5.0
91.05484	52.0
93.07047	45.8
95.04971	12.3
95.08614	38.1
97.06534	11.9
97.10178	40.2
98.21640	3.1
99.08096	3.7
100.09255	1.3
103.05489	3.0
105.04519	2.4
105.07038	59.8
107.04980	8.8
107.08602	38.5
109.02862	1.8
109.06514	21.0
109.10166	19.2
111.04468	3.9
111.08080	7.4
113.06029	2.3
115.05475	4.8
117.07020	30.1
119.04951	2.0
119.08591	45.4
121.06516	5.9
121.10161	18.6
123.08070	8.3
123.11715	5.1
125.09644	31.7
128.06213	4.6
129.07002	17.1
130.07736	2.4
131.08582	44.1
133.06494	5.8
133.10138	31.4
135.08034	10.4
135.11696	9.7
137.09625	4.7
141.06990	7.5
142.07819	4.8
143.08566	24.9
143.10678	1.8
144.09410	1.7
145.06458	7.8
145.10129	33.7
147.08066	6.4
147.11702	23.7
149.09703	7.8
149.13245	4.6
151.11261	4.2
153.09006	3.3
153.12714	3.2
154.07811	2.1
155.08598	11.7
156.09296	2.4
157.06487	3.2
157.10130	22.1
159.08095	6.8
159.11713	21.6
161.09625	8.2
161.13263	12.6
163.07579	3.6
163.11174	7.8
163.14841	3.5
165.07001	2.4
165.12910	1.8
166.07814	2.6
167.08600	5.1
169.10124	15.2
171.08072	2.1
171.10271	3.3
171.11690	16.8
173.09709	4.2
173.13248	14.5
175.11218	5.3
175.14940	4.9
177.12793	2.3
179.08522	3.2
179.10753	2.2
180.09283	2.5
181.10138	12.0
181.11552	1.5
181.12332	2.1
182.10890	2.9
183.11755	12.2
185.09560	2.8
185.13271	13.4
187.11224	3.4
187.14862	8.2
189.11226	21.4
189.12727	3.5
189.44614	1.8
193.10158	5.0
193.12263	6.9
194.10954	2.2
195.11725	10.1
197.09682	1.8
197.13248	12.0
199.11211	4.9
199.14854	8.0
201.12755	3.9
201.16505	3.3
205.10262	2.2
207.11763	3.0
209.13248	8.2
211.11301	2.0
211.14787	7.4
211.90991	1.7
213.12784	4.8
213.16362	3.6
215.14392	1.8
221.13228	4.3
221.15245	2.3
222.14087	1.7
223.14919	3.6
225.16399	3.4
227.12740	33.1
227.17903	2.2
231.21152	2.9
233.13239	1.7
235.14915	2.5
237.12837	2.1
237.16434	4.9
239.14401	2.8
239.17960	5.2
241.19516	6.7
243.21201	1.8
245.13866	5.7
245.18852	1.7
247.14972	3.1
249.16409	2.4
251.17889	2.6
253.19518	2.2
255.20935	1.8
257.19083	7.3
259.20621	15.2
261.18698	2.3
269.18979	2.0
271.16870	1.8
271.20602	6.6
273.18652	7.4
275.20129	17.9
277.21802	2.6
283.15576	2.1
283.20581	4.7
285.22229	5.0
287.20053	1.7
287.23605	3.4
289.18127	4.4
289.21613	4.4
291.19495	9.4
295.20514	3.1
297.22089	2.5
299.23798	2.7
307.20355	1.8
311.20078	2.5
313.21777	2.1
321.22479	1.8
325.21713	4.4
327.23102	3.0
331.22794	3.5
333.24316	12.7
339.23254	2.1
347.22195	2.6
349.23859	5.5
351.23212	2.6
363.21808	2.6
365.23267	4.8
377.28333	5.9
381.22693	6.7
395.29495	20.1
413.30435	5.8
433.30991	2.4
439.32153	2.0
451.32410	2.3
469.33096	4.4
484.83673	2.1
510.20511	1.5
511.34344	5.2
513.35858	19.1
515.33502	7.5
523.34943	3.9
527.33728	2.5
529.35602	10.9
531.36993	18.2
533.35144	2.3
539.34058	1.7
541.35510	13.1
543.36786	2.2
547.37958	8.6
557.34662	1.9
559.36523	3.0
565.39294	10.4
569.34760	2.5
570.35504	6.0
583.39716	2.4
585.39575	1.7
593.42468	2.1
603.40289	4.9
621.41504	51.4
622.41376	1.6
639.42554	100.0
657.43860	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	657.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03948	7.3
55.01634	1.3
55.01874	17.1
55.05516	57.6
57.03437	10.7
57.07056	1.8
59.04992	1.8
65.03940	3.7
67.05510	62.0
69.03422	4.9
69.07069	27.1
69.36832	3.7
69.37252	5.6
69.88106	1.5
71.05010	8.9
79.05498	70.1
80.77522	1.1
81.03427	18.9
81.07062	75.0
83.04987	18.9
83.08158	1.7
83.08627	30.4
85.02905	6.2
85.06532	4.5
87.04432	1.3
91.05487	64.6
93.07050	59.0
95.04974	91.9
95.08612	35.5
97.06548	7.5
97.10176	18.2
99.04454	7.8
103.05491	2.9
105.07040	52.5
107.04962	23.9
107.08602	42.7
109.06525	19.6
109.10161	21.1
111.04464	17.8
111.08084	8.7
115.05460	5.6
117.06233	2.0
117.07030	29.7
119.04928	1.7
119.08593	49.3
121.06521	15.6
121.10155	23.8
123.08094	10.5
123.11692	4.4
125.05985	1.8
125.09630	18.3
128.06255	6.6
128.96013	1.2
129.07014	14.5
129.64613	1.3
130.07831	1.7
131.04854	1.3
131.08575	30.7
132.05705	2.0
133.06505	9.0
133.10144	20.9
135.08041	10.7
135.11700	13.2
137.09589	4.0
139.11186	3.0
141.07018	4.8
142.07767	3.8
143.08566	14.8
145.06509	6.3
145.10139	32.1
146.07277	1.3
147.08058	20.0
147.11697	14.2
149.09621	30.6
149.13217	2.9
151.07440	1.3
151.11148	3.0
153.09103	2.9
153.12738	3.6
155.08554	5.3
157.06445	1.5
157.10149	13.4
159.08067	7.9
159.11703	16.4
161.09630	30.3
161.13280	6.5
163.11182	35.0
165.09099	2.0
165.12732	4.0
167.08551	3.0
167.10703	2.0
169.10130	6.7
171.10304	2.8
171.11685	8.9
173.09613	4.5
173.11856	2.3
173.13213	7.2
175.11220	7.4
175.14885	1.7
177.12695	7.4
179.10609	2.3
179.14214	1.6
181.10066	1.8
181.12180	2.6
183.11702	5.8
185.09583	1.5
185.13295	4.0
187.11226	6.2
187.14784	1.3
189.09265	2.0
189.11227	15.8
189.12738	2.8
191.10713	1.6
191.14294	3.4
193.12239	3.3
195.11714	2.9
197.13316	3.9
199.11169	3.2
199.14835	3.3
201.12659	1.8
203.10675	1.8
203.14256	1.7
205.12228	5.7
209.13336	2.4
211.11334	1.3
213.12787	2.9
213.16351	3.9
223.13292	60.2
227.12817	4.8
227.17894	2.9
229.19534	3.8
231.13794	2.4
231.17412	1.9
239.17929	2.8
241.19397	1.4
245.19081	6.5
247.20538	4.2
255.17468	6.9
257.18961	8.0
259.20572	2.5
271.16940	1.4
273.18509	100.0
274.18863	1.8
275.20078	62.2
276.20190	1.4
291.19592	12.3
293.21127	39.9
309.20593	1.4
311.19928	3.0
313.21606	1.8
329.21103	11.8
331.22668	2.1
333.24261	2.7
335.25732	1.7
347.22202	60.3
349.23758	9.7
365.23074	5.7
367.24814	37.6
607.43329	4.0
621.41711	6.3
625.44238	3.2
639.42529	30.8
657.43903	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	657.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01873	19.3
55.05514	48.5
56.34819	0.9
57.03435	8.6
57.07056	1.9
59.04990	1.3
64.89259	0.9
65.03937	5.9
67.05508	66.2
69.03445	5.5
69.07070	32.5
69.38059	7.9
70.06631	1.1
70.38776	0.9
71.04440	1.2
71.05017	6.2
76.15862	0.9
77.03921	1.4
79.05495	67.4
81.03418	11.6
81.07060	100.0
83.04987	22.3
83.08624	33.1
85.02903	8.3
85.06541	4.6
91.05484	52.9
93.07044	55.4
95.01377	1.2
95.04974	58.3
95.08610	37.9
97.02866	1.7
97.06528	14.0
97.10176	17.4
98.20715	1.1
99.04465	7.4
99.08098	3.0
103.05462	2.7
105.04535	1.5
105.07035	47.7
107.04960	21.6
107.08599	44.2
109.06516	20.6
109.09409	0.6
109.10157	20.6
111.04443	22.7
111.07355	1.5
111.08078	11.7
113.05967	1.9
115.05465	3.5
117.07021	25.4
119.04916	1.6
119.08585	42.2
119.30750	0.9
121.06511	14.6
121.10145	25.4
123.04432	1.7
123.08065	21.0
123.11700	4.0
125.06001	1.9
125.09628	17.0
127.03869	1.0
128.06230	4.0
129.05511	1.6
129.07014	11.6
130.07814	3.1
131.08571	30.6
133.06497	6.6
133.10135	23.0
135.08069	13.2
135.11703	13.8
137.05951	1.3
137.09647	8.1
139.11200	2.6
141.06989	3.8
142.07802	2.9
143.08566	13.3
145.06485	4.5
145.10129	29.9
147.08055	16.1
147.11682	12.7
149.09625	24.3
149.13269	4.3
151.11182	3.3
153.09143	3.0
153.12730	5.1
155.08551	4.9
157.06596	1.5
157.10121	10.5
159.08055	5.2
159.11697	15.5
161.05907	1.0
161.09641	15.0
161.13261	4.6
163.11185	31.6
165.09134	4.0
165.12784	2.8
167.08560	2.0
169.10141	6.4
171.08060	1.7
171.10262	2.0
171.11629	9.5
173.09666	4.1
173.13232	7.5
174.10596	1.1
175.11206	6.5
175.14825	1.5
177.12761	4.3
179.10756	1.8
181.10100	2.2
181.12190	5.7
182.11037	0.9
183.11731	4.9
185.09622	2.4
185.13310	4.8
187.11136	5.2
187.14812	2.4
189.11255	14.0
189.12811	2.4
191.10710	5.8
191.14328	2.1
193.12305	3.5
195.11725	2.6
197.13268	4.2
199.11131	2.6
199.14798	1.4
201.12744	1.9
201.16434	1.7
203.14273	2.6
205.12230	4.9
205.15907	1.1
207.13823	2.0
209.11671	2.4
209.13403	1.7
211.14922	1.6
213.12756	2.1
213.16441	1.1
217.15984	1.5
219.13805	1.9
223.13283	33.1
227.12737	13.5
227.17996	3.4
229.19518	3.0
237.16716	2.0
239.14333	1.1
239.18068	3.9
245.18988	4.8
247.20592	3.7
249.14806	1.3
255.17506	4.7
257.19022	9.8
263.20337	1.2
273.18500	54.4
274.19159	1.1
275.20071	55.7
283.15396	1.8
289.18051	1.6
291.19534	44.6
293.21085	20.7
293.24237	1.3
309.20624	1.5
311.20114	1.3
329.21173	3.9
331.22751	2.6
339.23227	1.2
347.22180	25.9
349.23746	25.4
365.23254	14.0
367.24823	11.7
425.93567	1.1
477.29282	1.9
485.32629	1.6
511.35004	1.5
519.32880	1.1
529.35986	3.4
531.33160	1.7
541.35498	1.9
547.37622	3.3
565.38831	1.8
569.34229	1.3
621.41467	9.3
639.42542	39.6
657.43591	61.1
658.44305	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	657.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
51.55088	0.9
52.34768	1.0
53.03945	6.2
55.01626	1.7
55.01878	20.4
55.05515	56.2
57.03437	10.7
57.07072	1.8
59.05013	1.2
65.03960	5.6
66.46775	0.9
67.05510	63.3
69.03439	5.0
69.07072	29.2
71.04443	1.3
71.05018	7.5
77.03942	2.0
78.47997	1.0
79.05498	66.3
81.03423	13.2
81.03857	1.1
81.07061	100.0
83.04989	28.0
83.08623	37.9
85.02905	7.7
85.06552	3.2
91.04902	2.0
91.05486	54.6
93.07050	54.9
95.04974	65.5
95.08617	38.0
97.06544	12.0
97.10178	18.7
98.20775	3.3
99.04469	9.1
99.08096	2.1
103.05495	2.7
105.04523	1.9
105.07036	48.7
105.16415	1.0
107.04961	24.8
107.05637	1.9
107.08603	43.3
109.06528	21.3
109.10159	22.3
111.04454	25.5
111.08092	13.5
113.06005	1.2
113.09697	1.1
115.05498	4.1
116.06267	1.4
117.07026	24.7
117.07854	1.2
119.04985	2.3
119.08584	47.9
121.06516	17.6
121.10159	25.6
122.07056	0.9
123.04514	1.3
123.08076	21.3
123.11729	3.7
125.05988	2.2
125.09634	18.5
128.06235	4.0
129.07016	10.8
130.07806	2.0
131.04941	1.9
131.08574	27.8
133.06535	6.5
133.10141	22.5
135.08066	12.7
135.11705	16.3
137.09608	8.6
139.07573	1.9
139.11224	3.3
141.07036	3.4
142.07813	1.7
143.08588	10.8
144.09357	1.1
145.06503	5.5
145.10129	35.9
147.08046	15.7
147.09090	1.4
147.11678	14.3
147.12640	1.2
149.02281	1.2
149.09624	24.6
149.13297	2.5
151.11215	4.0
153.07051	1.1
153.09187	3.0
153.12753	8.1
155.08606	4.8
157.06561	1.2
157.10176	10.7
159.08073	5.2
159.11702	15.1
161.09622	18.6
161.13309	4.5
163.11192	36.1
165.09109	4.8
165.12811	3.1
167.08624	1.6
169.10147	5.9
171.10226	3.2
171.11740	8.2
173.09654	5.7
173.11855	1.9
173.13155	5.6
175.11223	6.9
175.14931	1.3
177.12791	4.3
179.14398	1.5
181.10265	0.9
181.10876	1.1
181.12247	6.9
183.11751	4.6
185.09654	2.4
185.13313	4.7
187.11183	5.5
187.14906	2.1
189.09303	1.3
189.11261	14.9
189.12811	4.4
189.16403	2.2
191.10703	7.2
191.14412	1.4
193.05067	1.6
193.12181	5.7
195.11821	2.5
197.13290	2.7
199.11252	2.8
199.14825	2.4
201.12856	1.6
203.14398	1.9
205.12253	6.3
207.11913	1.0
207.13861	1.3
209.11703	2.0
209.13481	1.6
211.14955	1.6
213.12758	1.7
213.16371	1.4
215.14409	1.3
223.13283	43.4
227.12785	12.3
227.18042	2.7
229.19545	4.2
231.13931	1.5
239.18002	4.8
243.69965	1.0
245.18968	5.9
247.20549	1.4
249.14851	2.9
255.17506	4.9
256.26376	2.5
257.18979	7.0
263.20242	1.5
271.16968	1.3
273.18494	60.9
275.20074	60.5
283.15515	2.4
287.20102	2.1
289.18143	1.1
291.19562	51.6
293.21121	24.8
301.21616	1.1
309.20782	2.1
329.21155	6.2
331.22906	2.7
347.22186	29.5
349.23782	23.3
365.23312	14.9
367.24878	16.0
395.29727	1.9
419.29913	1.2
437.30655	1.3
511.34497	2.8
513.31903	1.4
529.36060	3.4
531.33264	2.9
541.35065	2.2
547.38080	2.8
565.38873	4.1
621.41534	7.6
639.42560	40.6
657.43604	80.7
658.35736	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	655.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78659	0.8
51.02375	1.3
52.37152	0.8
53.03954	5.0
55.01625	1.7
55.01877	19.7
55.05518	40.2
57.03444	9.8
57.07093	1.5
59.05012	2.0
65.03941	3.4
65.92855	0.9
66.04724	1.0
67.05512	57.2
69.03429	4.6
69.07077	31.4
69.07463	1.6
71.04994	5.3
77.03954	1.8
77.93175	1.0
79.05502	63.0
79.58170	0.8
79.89976	0.9
81.03425	11.7
81.07067	100.0
83.04986	17.5
83.08628	19.7
85.02926	4.1
85.06570	2.3
85.18569	0.8
87.74749	1.0
91.05492	47.2
93.07052	44.1
95.04984	25.7
95.08619	26.4
97.06546	14.8
97.10181	19.8
98.21632	1.8
99.04478	3.1
99.08110	1.9
102.10112	0.9
103.05495	1.6
104.12835	1.0
105.04541	2.3
105.07047	35.9
107.04964	16.6
107.08604	28.2
109.02901	1.7
109.06535	21.6
109.10172	19.1
111.04453	11.8
111.08098	9.1
113.06030	1.5
115.05473	5.6
116.06263	1.6
117.07030	19.8
119.04964	3.6
119.08588	37.9
121.06526	14.2
121.10155	17.1
123.04447	3.3
123.08073	18.5
123.11749	4.0
125.06039	1.7
125.09643	17.6
128.06247	4.8
129.05551	1.5
129.07013	16.7
130.07790	1.9
131.04953	2.9
131.08580	26.1
132.05742	1.3
133.06522	7.4
133.10147	17.3
135.08055	13.3
135.11714	9.5
137.06056	1.1
137.09630	7.0
139.07555	1.5
139.11252	1.2
141.06984	5.3
142.07805	3.3
143.08574	15.2
145.06509	7.9
145.10136	27.1
147.08073	17.7
147.11670	10.0
149.09633	10.9
149.13274	2.6
151.07578	2.5
151.11241	1.5
153.07082	1.3
153.09178	2.4
153.12761	6.8
154.07791	1.6
155.08585	8.4
156.09438	1.3
157.06538	3.9
157.10149	13.9
158.07306	1.7
159.08070	9.3
159.11714	11.9
161.09633	19.8
161.13297	3.0
163.11188	15.4
165.07074	2.3
165.09177	4.1
167.08636	3.5
167.10715	1.1
168.09381	2.2
169.10118	7.4
170.10979	1.1
171.08044	4.9
171.10284	1.7
171.11755	8.5
173.09653	10.9
173.11954	1.4
173.13229	5.2
175.11211	7.5
175.14917	1.6
177.09125	1.7
177.12761	4.4
179.08585	2.3
180.09402	1.0
181.10187	4.4
181.12288	3.7
182.10963	1.2
183.08125	3.0
183.11676	8.9
185.09688	4.6
185.13275	6.2
187.11208	5.2
187.14865	2.0
189.09375	2.2
189.11272	8.3
189.12825	3.4
191.10703	4.0
193.10324	2.0
193.12326	4.7
195.11700	4.9
197.09698	3.5
197.13309	3.6
199.11201	5.8
199.14870	2.4
201.12836	3.6
201.16501	1.2
203.10648	1.4
203.14435	1.1
205.10201	1.0
205.12109	2.0
207.11734	2.2
207.13695	1.9
209.09747	1.7
209.11594	1.5
209.13351	2.3
211.11317	3.0
211.14909	1.8
213.12807	4.4
213.16425	1.7
215.14467	2.1
217.12225	1.1
217.19556	0.9
219.11745	1.9
221.13393	1.5
223.11232	2.3
223.13359	6.2
223.15210	1.0
225.12927	1.3
225.16545	2.3
226.13785	1.0
227.12642	11.6
227.14836	1.2
227.17996	3.4
229.14235	1.3
229.16173	1.2
231.13913	1.3
231.17551	1.5
233.15524	1.4
235.14857	1.5
237.12793	1.4
237.16484	1.9
239.14359	1.3
241.16090	1.2
243.17476	3.0
245.13455	1.0
245.19012	7.5
249.12747	1.1
249.14836	2.1
253.15973	1.7
253.19627	1.2
255.17532	6.5
259.20541	1.4
263.20355	1.3
265.19733	1.5
267.15927	1.8
271.17093	2.8
273.18512	57.5
274.19003	1.6
275.20184	4.2
283.15567	1.8
285.18481	1.3
287.20221	1.0
289.18073	3.7
291.19580	50.1
299.20132	2.1
307.19043	1.1
309.20990	1.4
311.20209	2.6
313.21857	2.0
325.21317	1.0
327.19791	1.3
329.21060	5.9
341.21359	1.6
347.22174	19.3
353.24942	1.3
355.22772	1.1
363.21808	1.8
365.23322	14.2
391.26514	1.6
393.27988	4.1
395.26025	1.7
409.27472	2.6
411.29160	2.7
413.27036	2.1
435.28912	1.6
447.28989	1.8
453.30704	1.3
465.30148	1.2
469.29733	1.6
475.30478	2.8
483.31592	1.5
495.30692	1.2
509.33197	1.8
513.32300	5.8
527.34241	6.2
529.35834	2.2
539.33923	2.1
541.35138	2.7
545.36139	4.5
555.32965	1.4
557.34967	3.2
563.37482	6.3
567.33533	1.2
581.38757	5.1
585.34882	1.9
601.38971	1.7
609.41467	1.4
619.40027	9.0
637.41095	44.7
638.41205	1.5
655.42120	96.8
656.42383	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	655.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
53.95342	2.5
55.01879	19.7
55.05513	35.9
57.03437	10.2
65.03946	6.4
67.05507	66.2
69.03425	9.3
69.06736	3.1
69.07075	31.1
70.06599	4.7
71.03311	6.1
71.04989	6.4
79.05073	5.0
79.05500	63.2
81.03417	22.7
81.07062	100.0
83.04988	20.2
83.08624	16.9
84.08179	3.8
85.02912	7.3
85.06577	3.7
86.09709	5.0
91.05492	57.8
93.07051	44.9
95.04979	26.9
95.08608	24.5
97.02896	7.3
97.06526	9.9
97.10162	15.8
98.10560	2.4
105.04507	2.9
105.07041	46.6
107.04969	15.5
107.08616	27.2
109.06511	25.3
109.10172	16.9
111.04457	8.3
111.08082	7.6
117.07020	22.9
119.04986	3.1
119.08592	36.3
121.06515	11.2
121.10148	16.6
123.04449	4.4
123.08053	18.2
123.11717	4.7
125.09619	18.1
128.06244	5.6
129.07013	12.4
129.10229	4.2
131.08583	23.7
133.06503	10.5
133.10129	21.9
135.08081	10.1
135.11743	12.9
137.09668	8.5
141.06982	5.2
142.07787	3.2
143.08603	17.3
145.06526	7.3
145.10110	22.2
147.08028	17.3
147.11681	11.5
149.09663	13.7
153.09114	4.0
153.12781	4.4
155.08641	4.9
157.06514	3.1
157.10133	16.9
159.08122	11.8
159.11723	11.8
161.09610	21.7
163.11191	21.2
165.07011	2.7
165.09117	3.1
166.07768	3.6
167.08502	4.2
169.10161	8.8
171.07993	2.8
171.11725	10.4
172.08748	4.2
173.09651	8.0
173.13292	4.0
175.11217	9.2
177.12822	5.8
181.10164	3.8
181.12280	6.8
183.08044	4.0
183.11716	7.3
185.09590	6.0
185.13240	6.3
187.11215	8.0
187.14909	3.3
189.11316	7.9
191.10698	3.9
193.10236	3.1
193.12241	6.9
195.11694	3.6
199.11250	7.3
209.13348	3.5
211.14949	3.9
213.12811	5.3
223.13202	5.4
225.12923	3.1
227.12904	10.4
233.15384	3.3
237.12769	3.5
245.19136	3.0
255.17511	7.2
271.16867	5.0
273.18542	58.5
275.19922	6.0
291.19522	43.5
291.22464	3.2
299.20206	3.1
329.21167	5.1
347.22290	20.1
349.23807	3.3
355.25955	2.7
365.23285	9.9
409.27362	4.2
483.31445	3.5
493.27844	3.7
513.31702	3.4
527.34393	5.1
545.36584	4.8
557.35199	3.4
563.37402	4.2
581.38623	5.4
619.39948	10.9
637.41095	44.1
655.42035	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3531
Annotation	Withanoside III
Peak:m/z	Relative Intensity
51.02398	1.5
53.03945	10.7
55.01865	5.9
55.05273	1.7
55.05516	22.1
57.03443	13.7
61.88241	1.5
65.03921	2.9
67.05510	48.4
69.03429	14.4
69.07072	14.1
69.34833	8.4
69.35234	3.5
70.06592	4.1
71.01376	1.4
71.05000	8.5
72.08133	2.5
73.02928	1.8
77.03897	2.5
78.83523	1.6
79.05493	68.3
81.03423	92.9
81.07058	56.7
83.04983	30.3
83.08627	24.1
84.04463	3.0
84.08157	7.5
84.21289	1.8
85.02904	16.0
85.06539	3.7
86.09697	5.7
91.05484	65.6
93.07048	61.9
95.04966	36.0
95.08613	26.8
96.99701	1.7
97.02911	11.9
97.06550	7.5
97.10152	6.8
99.04442	3.8
99.08090	2.9
103.05500	1.8
104.90046	1.6
105.04501	2.5
105.07038	51.3
107.04963	11.7
107.08593	19.5
109.02888	11.3
109.06511	8.5
109.10151	8.6
111.04425	6.6
111.08095	9.1
115.05433	3.7
117.07023	12.8
119.04885	2.1
119.07806	2.7
119.08591	30.0
120.08109	2.6
121.06484	4.6
121.10140	10.9
123.04432	2.0
123.08058	6.9
123.11699	2.7
125.09613	3.5
127.03902	8.3
128.06151	3.5
129.05498	3.0
129.07018	22.7
129.10254	1.9
131.08565	15.4
133.06502	3.5
133.10135	19.3
135.08089	3.6
135.11687	5.2
136.07579	3.6
141.06950	2.1
142.07762	4.1
143.08589	8.1
145.06516	3.1
145.10121	10.9
147.08037	5.6
147.11691	37.4
149.09621	7.4
153.12776	3.7
156.09323	1.9
157.10149	13.6
159.11703	4.4
161.09592	4.3
161.13275	8.3
163.11157	4.9
165.12743	3.4
165.99843	1.6
169.10115	2.0
171.11674	18.6
173.04445	3.0
173.09550	1.9
173.13223	1.6
175.11203	12.7
181.12283	2.8
183.11649	1.9
189.12787	10.0
191.10629	2.1
193.10464	2.2
193.12259	36.8
207.13797	21.9
211.13287	36.2
225.14766	2.9
227.12767	5.2
249.14781	2.0
267.15881	26.6
273.18335	2.2
279.15988	3.4
281.17493	69.1
285.16895	11.1
287.16339	4.1
345.11920	2.0
355.17700	2.2
393.19354	1.7
425.21768	3.3
429.21115	7.8
447.27393	1.9
455.27740	1.8
473.28986	100.0
491.30215	25.8
507.65875	2.1
521.09821	1.6
616.58081	1.8
617.32709	2.7
635.34363	38.1
653.31604	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	652.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.3
53.72301	0.4
54.86761	0.5
55.01875	7.6
55.05512	15.0
56.05019	1.2
57.03440	5.0
57.07059	1.1
57.43090	0.4
59.04993	0.7
60.04507	0.8
61.02923	3.4
64.47127	0.5
65.03916	1.0
67.05505	25.1
68.05005	0.6
69.03432	4.3
69.07071	9.7
70.06595	14.4
70.16412	1.6
71.05005	2.6
72.08147	2.7
73.02884	2.1
74.06051	1.1
75.04461	0.6
77.03940	0.7
79.05491	28.8
81.03419	6.6
81.07056	55.5
83.04581	0.6
83.04978	7.7
83.06062	0.8
83.08161	0.6
83.08620	10.6
84.04511	2.7
84.08144	8.8
85.02911	5.4
85.06544	2.5
86.09705	8.7
87.05583	0.6
88.03974	0.7
88.51826	0.5
91.03937	0.6
91.05479	22.5
92.05814	0.5
93.07047	21.9
94.17453	0.5
95.01314	0.9
95.04385	0.7
95.04964	11.2
95.08604	11.4
97.02866	1.5
97.06533	4.6
97.10171	12.1
98.06040	0.7
99.04448	1.7
99.08072	1.8
101.07136	0.7
102.05486	0.7
103.05460	1.6
105.04474	0.6
105.07031	16.8
106.07256	0.5
107.04960	13.5
107.08595	16.7
109.02868	0.8
109.06518	11.6
109.10146	7.4
110.07147	1.4
111.04433	8.4
111.08077	4.6
113.07034	0.5
113.52917	0.5
115.05437	1.1
116.04679	1.0
117.07024	13.3
119.04919	2.1
119.08585	21.1
120.08124	4.4
120.08878	1.1
121.06499	7.4
121.08385	0.6
121.09338	0.8
121.10144	10.5
123.04402	1.3
123.08060	8.7
123.11672	1.0
125.06004	1.0
125.09637	11.7
127.08650	0.6
128.06181	2.2
129.05461	2.0
129.07005	6.6
129.10233	4.5
130.07771	0.8
131.04872	1.3
131.08574	15.1
133.06491	4.4
133.10127	8.8
134.04474	0.8
135.04395	1.3
135.08058	6.9
135.11696	8.6
136.07584	3.3
137.05966	0.8
137.09624	3.7
139.11140	1.1
141.06944	1.2
141.09044	0.6
142.07742	0.9
143.08562	7.5
143.10707	0.5
143.11707	1.2
145.06503	3.5
145.10130	19.4
145.11304	1.1
147.04399	0.8
147.08051	12.5
147.11690	4.6
149.09608	10.9
149.13179	0.5
151.11194	0.8
153.09091	2.1
153.12775	3.6
155.08577	3.2
157.06485	1.2
157.10086	4.8
159.08080	2.7
159.11711	5.4
161.09616	10.6
161.13225	1.1
163.11183	14.7
165.06911	0.6
165.09157	3.0
167.08490	1.1
169.10054	1.6
171.07964	0.6
171.10194	1.2
171.11665	4.5
173.09598	6.9
173.13210	1.7
175.11192	4.6
175.14830	0.5
177.05455	0.6
177.08997	1.0
177.12749	1.7
179.10735	1.0
181.10132	1.0
181.12177	4.2
183.11710	0.7
185.09615	1.6
185.11713	0.7
185.13258	2.5
187.11147	1.8
189.09253	0.8
189.11197	8.8
189.12735	2.6
191.10664	9.1
193.12048	0.6
195.11644	1.3
199.11130	1.6
201.12788	0.7
203.10777	0.5
205.12180	1.5
209.11658	1.3
209.13441	0.5
211.14827	1.2
213.12782	1.7
213.16409	1.0
223.13399	3.6
227.12791	13.6
227.17751	2.5
231.13811	0.8
231.17390	0.9
237.16458	1.2
245.13841	2.5
245.19032	5.2
249.14864	2.5
255.17497	5.5
263.20111	1.3
265.14206	0.6
273.18494	42.5
283.15457	4.8
291.19531	100.0
292.19815	1.3
297.16965	0.8
301.16434	0.7
307.19128	0.9
309.17331	0.6
309.20566	1.7
347.22159	16.6
363.17935	5.2
365.23221	69.2
366.23706	0.5
381.19095	3.4
383.24243	6.3
393.22787	1.1
418.17499	0.6
437.21689	39.9
438.22211	0.8
455.22754	45.9
456.23474	1.1
602.02466	0.6
615.11053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01860	5.2
55.05272	2.2
55.05512	25.7
57.03445	11.7
57.07072	2.8
59.04996	3.5
61.02919	2.4
65.03927	4.9
67.05507	100.0
69.03430	22.2
69.07066	15.8
71.04994	8.8
71.51866	2.3
73.02880	2.2
79.05497	30.0
81.03423	43.3
81.06593	2.7
81.07056	50.5
83.04981	19.3
83.08630	13.2
85.02888	7.2
85.06541	4.3
89.62637	1.6
91.05485	29.9
93.07045	35.1
95.04991	10.6
95.08610	36.4
97.02891	11.5
97.06503	6.2
97.10166	10.9
99.04446	6.4
99.08060	2.2
103.03954	2.2
105.07040	23.4
107.04950	4.4
107.08592	21.6
109.02869	7.3
109.06507	7.1
109.10156	61.4
111.04429	7.5
111.08075	3.5
115.05441	2.5
117.07031	12.5
119.08588	24.7
121.06477	4.7
121.10156	18.4
123.04459	2.5
123.08086	5.8
123.11700	7.9
125.09652	9.6
127.03906	7.2
129.05476	6.8
129.06967	8.2
131.08568	18.6
133.06468	3.9
133.10127	16.5
135.08043	6.6
135.11703	10.3
137.09624	5.8
139.11174	2.5
141.06993	3.9
142.07751	2.2
143.08502	8.2
145.06569	1.6
145.10149	13.1
147.08037	2.9
147.11729	8.3
149.09633	2.7
149.13254	5.3
151.07539	3.0
155.08553	4.9
155.10663	5.0
157.06500	1.8
157.10136	8.8
159.08054	3.4
159.11708	10.3
161.09604	5.6
161.13223	5.5
163.11191	4.8
163.14790	2.6
165.12708	2.1
169.10143	3.7
171.08157	1.9
171.11707	7.5
173.09586	3.4
173.11725	19.6
173.13234	5.0
175.11128	3.2
175.14839	2.3
183.08054	1.7
183.11630	2.5
185.09659	2.9
185.13310	4.9
187.11185	3.4
187.14832	3.1
189.11232	10.6
191.14211	1.8
195.11688	2.4
197.13293	3.2
199.14778	3.3
201.12677	2.1
207.13808	3.0
211.11183	2.0
213.12865	2.3
213.14751	2.6
221.15419	3.1
227.12675	11.4
229.14342	33.1
241.19588	2.1
245.13863	2.2
261.22092	7.1
263.23618	3.0
273.22049	2.9
277.21591	2.8
301.21512	3.6
303.23392	2.4
319.22650	2.9
323.23758	2.3
335.25900	10.4
337.27380	6.8
345.24139	3.5
351.23175	5.6
357.23758	2.9
369.24185	12.9
371.17212	4.2
373.18634	8.6
387.25375	7.7
400.12390	1.6
405.26242	2.8
443.28229	4.8
461.28772	5.3
479.29773	4.5
489.35953	12.6
507.36713	3.5
510.03299	1.9
547.36914	2.0
584.21332	2.3
597.37402	6.9
615.39038	10.4
633.39941	33.4
651.40680	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	651.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01875	3.4
55.05271	2.0
55.05516	24.5
57.03442	10.3
57.07066	4.1
59.04996	3.6
65.03929	4.7
67.05509	100.0
69.03436	21.3
69.07069	13.0
69.45350	1.7
71.04990	7.5
73.02903	1.5
77.05371	1.6
79.05497	30.6
81.03423	36.6
81.06599	2.6
81.07063	43.4
81.65508	1.6
83.04987	16.8
83.08630	11.9
85.02892	5.6
85.06532	4.2
88.10690	1.4
91.05480	28.7
93.07043	32.5
95.04978	8.1
95.08610	34.0
97.02889	9.2
97.06551	3.6
97.10168	8.9
98.20810	4.7
99.04459	5.5
99.08087	2.7
105.07030	23.0
107.04943	5.0
107.08596	22.4
109.02887	8.2
109.06522	5.3
109.10162	58.7
111.04459	9.7
111.08096	3.1
113.05962	1.9
115.05469	4.0
117.07024	11.3
119.08594	21.1
121.06505	3.6
121.10149	11.8
122.95372	1.5
123.08075	2.8
123.11720	5.6
124.49130	1.6
125.09643	8.5
127.03881	5.9
128.06172	1.7
129.05467	6.4
129.07011	8.5
131.08569	18.6
133.06514	3.5
133.10129	12.9
135.08073	5.1
135.11713	9.8
137.09584	3.7
139.07535	1.5
139.11230	1.7
141.06969	3.5
142.07759	1.6
143.08574	5.7
145.06491	1.8
145.10149	11.5
147.08038	4.2
147.11697	8.7
149.09595	2.9
149.13257	2.7
155.08623	3.1
155.10666	6.0
157.10127	6.4
159.11688	8.7
161.09662	3.4
161.13258	3.8
163.11214	1.4
163.14847	1.8
165.06932	2.1
167.08640	1.7
169.10117	3.7
171.11710	6.2
173.09607	2.6
173.11740	13.3
173.13278	6.4
175.11188	2.3
175.14839	2.8
181.10066	2.2
183.11690	4.8
185.09616	1.6
185.13261	4.9
187.14810	3.5
189.11240	5.6
195.11656	4.5
197.13225	2.7
199.11176	2.2
199.14830	2.5
201.12723	2.7
213.12897	2.0
227.12831	8.8
229.14345	34.5
233.15286	2.0
243.21039	2.1
245.13838	3.1
259.20645	3.6
261.22153	4.6
277.21619	3.8
279.23077	1.7
289.21600	1.8
291.22977	1.9
299.14920	2.3
301.21576	4.7
303.23087	2.3
335.25854	12.6
337.27252	5.6
341.24854	2.1
345.24478	1.8
351.23181	6.7
353.24780	2.7
369.24478	9.9
371.16968	3.9
373.18597	4.5
387.25134	6.1
405.26328	4.4
443.27890	5.8
461.29044	8.3
479.29761	5.0
489.35580	8.4
507.36765	3.6
573.38007	1.8
597.38062	9.2
615.38623	9.5
633.40015	34.1
651.40936	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	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01868	2.9
55.05516	24.5
57.03444	11.0
57.07061	1.4
59.05001	2.8
63.65770	1.4
65.03946	4.4
67.05508	100.0
69.03092	2.1
69.03436	24.0
69.07072	15.5
71.01332	1.4
71.05002	7.8
73.02911	2.6
79.05495	32.2
81.03426	33.6
81.07058	53.8
81.07534	2.7
83.04994	16.4
83.08616	12.7
83.60066	1.1
85.02904	5.5
85.06543	3.3
91.05484	32.8
93.07047	31.0
95.04987	9.0
95.08611	32.7
95.09182	2.5
97.02916	9.1
97.06516	3.8
97.10184	9.6
98.21552	2.5
99.04475	3.7
99.08082	2.4
103.05437	2.1
105.04503	1.4
105.07037	22.2
107.04961	3.5
107.08601	20.6
109.02879	6.3
109.06502	6.1
109.10162	60.9
111.04437	6.4
111.08080	5.6
115.05453	2.4
117.07015	13.6
119.04955	1.4
119.08584	23.3
121.06529	4.0
121.10154	15.7
123.08064	4.1
123.11727	5.7
125.09621	8.6
127.03925	5.8
127.11188	1.4
128.06230	1.4
129.05518	6.8
129.06970	7.3
130.07732	1.4
131.04927	2.6
131.08571	15.7
133.06485	4.0
133.10123	14.6
135.08069	6.6
135.11696	10.4
137.09615	4.2
139.11122	1.9
141.07018	3.7
143.08594	9.7
145.06491	3.6
145.10144	12.1
147.08072	3.9
147.11688	9.4
149.09669	2.6
149.13258	4.9
155.08574	3.9
155.10625	2.9
157.10182	8.2
159.08075	2.3
159.11681	10.1
161.09621	2.6
161.13261	5.1
163.11192	2.9
167.08553	2.0
169.10153	5.0
171.08084	2.8
171.11665	7.4
173.09601	2.0
173.10353	1.6
173.11757	14.8
173.13295	4.8
175.11168	3.1
175.14856	2.6
180.09270	1.5
181.10114	1.9
183.11728	4.9
185.09663	2.5
185.13290	4.6
187.11241	2.8
187.14830	3.5
189.11255	6.3
189.12799	2.3
191.10696	1.4
193.12288	1.6
195.11748	2.3
197.13242	4.4
199.11116	1.4
199.14883	2.6
209.13359	2.1
211.14963	1.6
213.12875	1.4
215.14476	1.8
221.13333	1.8
227.12721	9.6
229.14333	31.2
229.16553	2.0
231.13603	1.3
245.13869	2.2
259.20694	2.5
261.22189	5.7
263.23785	1.5
273.22287	1.9
275.20151	1.7
277.21683	3.0
299.14728	1.6
301.21646	4.5
303.23309	2.5
315.23206	2.3
319.22729	2.5
327.23334	2.2
333.24530	1.8
335.25836	15.8
337.27429	5.8
341.24734	2.7
351.23199	6.8
353.24725	1.3
359.25668	1.5
363.38870	1.3
369.24255	10.9
371.17065	2.5
373.18555	4.9
387.25299	7.8
405.26331	4.2
423.27655	1.7
443.27908	4.4
445.29590	1.5
461.29300	6.9
461.34631	1.3
471.33557	1.3
479.29935	4.4
489.35840	11.4
507.36511	2.1
547.36511	1.9
597.37872	6.8
603.38647	1.4
615.39380	6.8
633.39966	40.0
634.40265	1.6
651.40778	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	649.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.1
53.03949	8.1
55.01876	5.9
55.05515	36.0
57.03444	13.6
57.07067	4.2
59.04998	3.3
61.02913	5.3
65.03934	4.3
67.05509	100.0
69.03433	25.8
69.07068	16.0
69.21130	11.5
71.01357	1.7
71.05000	9.2
72.19775	1.3
73.02919	6.2
79.05499	45.2
81.03423	55.0
81.07061	47.4
82.06535	1.0
83.04987	18.0
83.08627	15.1
85.02901	9.2
85.06538	5.4
91.03951	1.9
91.05483	50.4
93.07049	45.1
95.04978	11.4
95.08617	31.6
97.02899	23.7
97.06525	4.3
97.10173	17.7
99.04453	6.6
99.08077	2.3
105.06313	1.5
105.07037	43.8
107.04927	4.5
107.08606	30.9
109.02893	9.5
109.06533	6.9
109.10163	58.9
111.04485	6.0
111.05118	1.2
111.08066	5.0
115.05406	2.0
116.06225	1.3
117.07029	22.3
119.04922	1.2
119.08590	38.3
121.06504	3.5
121.10155	20.1
123.08083	4.9
123.11726	1.6
125.09650	16.1
127.03932	10.2
128.06227	5.3
129.05473	4.4
129.07010	16.4
130.07819	1.4
131.05028	1.2
131.08583	31.0
133.06447	3.0
133.10138	22.8
135.08073	6.0
135.11705	13.6
137.05919	1.1
137.09656	5.7
141.07025	4.3
142.07773	2.9
143.08572	16.6
145.06442	2.6
145.10132	29.3
147.08044	4.7
147.11705	15.7
149.09610	4.9
149.13271	7.2
151.07500	1.7
153.06984	2.0
153.09021	1.5
154.07738	2.0
155.08580	8.6
155.10664	4.2
156.09361	1.8
157.06529	2.2
157.10136	17.6
159.08047	4.2
159.11716	21.7
161.09630	3.6
161.13283	12.9
163.11151	4.8
163.14810	2.3
165.06944	2.3
165.12915	1.3
167.08539	5.1
167.10753	1.4
169.10164	11.0
171.08025	2.8
171.10260	2.4
171.11676	13.1
173.09634	3.1
173.11729	13.1
173.13266	13.6
175.11151	2.3
175.14865	5.5
177.12808	1.5
179.08623	2.6
180.09290	1.8
181.10126	6.7
181.12277	2.0
182.10866	1.4
183.08076	2.7
183.11710	8.4
185.09622	3.3
185.13278	11.0
187.11134	4.2
187.14786	4.4
189.11206	15.0
189.12730	2.0
193.10316	2.6
195.08147	1.6
195.11702	7.7
197.09656	1.4
197.13269	8.1
199.11215	3.6
199.14859	6.9
201.12715	1.9
205.12265	1.5
207.11717	3.6
209.09663	1.6
209.13257	5.4
211.11221	2.6
211.14832	3.6
213.12762	2.7
213.16399	3.8
215.14424	1.4
217.15813	1.4
221.13167	3.1
221.15237	1.9
223.11322	1.4
223.14848	3.4
225.12744	2.7
225.16429	2.3
227.12711	14.8
227.14523	1.4
229.14352	23.3
231.17267	1.5
233.15326	1.5
237.12675	1.7
239.14244	2.1
239.17891	2.0
241.19458	7.5
243.21098	3.7
245.13791	7.8
251.14259	1.7
251.17949	2.0
257.19034	3.2
259.20578	15.3
261.22113	8.4
265.83862	1.5
271.20547	3.9
273.22064	3.6
275.20013	3.9
283.20480	2.5
285.22165	1.3
287.20148	2.4
289.21725	2.4
295.20490	2.8
297.21936	2.0
299.14825	4.0
299.20001	1.3
301.21609	5.6
303.23352	2.0
309.22052	1.8
311.20209	1.6
311.23697	1.4
313.21661	1.9
315.23251	3.8
317.21115	1.6
321.22256	1.8
325.21585	2.1
327.23239	2.7
333.24448	13.7
335.25839	10.2
339.23108	2.8
341.24643	1.9
343.22794	1.9
345.24075	2.7
349.21667	4.9
351.23129	4.4
363.25299	1.5
367.22659	8.9
369.24234	4.9
371.17004	5.3
373.18692	15.3
375.25189	2.7
377.28122	1.3
385.23914	5.9
387.25391	1.3
395.29395	4.3
403.24637	2.2
435.29004	2.1
441.26282	2.6
443.28210	1.9
459.27179	2.7
469.33102	2.9
485.32059	1.6
487.34222	51.2
489.35648	2.0
499.34216	1.6
503.33310	2.9
505.35022	3.5
517.35748	2.5
529.35120	3.4
557.34277	1.9
571.36407	2.4
577.35431	2.6
583.35803	4.1
595.36255	16.1
613.37146	14.4
631.28949	1.9
631.38458	28.9
631.48993	1.7
649.39575	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.9
53.03953	8.5
55.01875	5.7
55.05269	2.5
55.05516	33.0
57.03443	14.2
57.07071	4.2
59.05000	3.9
61.02925	7.6
64.15878	1.2
65.03940	5.9
67.05508	100.0
67.32433	1.3
69.03433	24.1
69.07076	19.2
71.01334	2.0
71.05000	9.1
73.02922	3.9
75.57327	1.4
79.05500	44.3
80.11357	1.5
81.03422	50.4
81.07059	47.8
83.04987	11.8
83.08631	18.1
85.02903	11.8
85.06553	5.0
91.03949	2.7
91.05481	44.4
93.07047	48.1
95.04983	13.9
95.08612	34.5
97.02894	22.8
97.06542	4.9
97.10172	17.3
98.20713	3.2
99.04475	6.8
99.08112	2.0
103.05430	2.3
105.04508	1.9
105.07037	44.5
107.04980	4.1
107.08607	34.1
109.02913	9.0
109.06518	8.0
109.10165	58.1
111.04453	6.7
111.08083	5.9
115.03931	1.4
115.05460	3.2
117.07018	18.7
119.08586	37.7
121.06520	4.1
121.09341	1.7
121.10156	21.5
123.08073	6.4
123.11690	7.4
125.06014	3.1
125.09642	20.5
127.03940	10.7
128.06245	4.9
129.05493	5.9
129.06996	14.6
130.07797	2.5
131.04979	1.4
131.08577	26.6
133.06525	5.1
133.10141	26.8
133.11102	2.2
135.08054	6.7
135.11684	13.5
137.05968	1.9
137.09651	4.3
137.13367	1.3
141.05492	1.7
141.07008	5.1
142.07817	4.4
143.08560	17.5
144.09326	2.1
145.06520	4.3
145.10126	25.7
147.08090	5.4
147.11710	19.0
149.05927	1.9
149.09608	5.0
149.13292	8.9
151.07524	3.7
151.11320	1.6
153.07039	1.9
153.09117	1.6
154.07793	3.0
155.08580	9.5
155.10693	4.5
156.09351	3.0
157.06616	2.4
157.10143	17.4
158.11017	1.6
158.42726	1.4
159.08104	4.6
159.11707	21.4
161.09660	3.0
161.13255	10.5
163.11136	9.0
165.07001	2.1
165.09105	2.1
166.56590	1.4
167.08574	6.3
167.10741	2.1
168.09384	2.3
169.10080	10.6
171.08080	3.7
171.11671	16.1
173.09634	3.4
173.11729	10.1
173.13289	13.4
175.11226	2.1
175.14865	7.1
179.08537	2.4
181.10178	5.9
181.12213	4.4
182.10866	1.7
183.08113	3.3
183.11678	10.0
185.09624	3.3
185.13278	10.6
187.11221	4.3
187.14822	4.9
189.11214	13.9
189.12703	2.9
193.10182	2.9
195.08121	1.8
195.11700	7.1
197.09676	2.7
197.13222	7.1
199.11253	4.2
199.14824	5.1
201.12759	3.1
203.14262	2.1
205.15860	2.5
207.11751	3.1
207.13789	2.3
209.13301	2.8
211.11209	1.8
211.14830	2.9
213.12805	3.6
213.16476	2.8
215.14459	2.2
221.13364	2.6
221.15315	2.5
223.11220	1.8
223.14825	4.8
223.16823	1.5
225.12743	3.4
227.10735	2.9
227.12671	14.7
229.12312	2.9
229.14287	15.6
231.21158	2.3
235.14999	1.5
237.12857	2.0
241.12344	1.7
241.19542	10.0
243.21066	2.4
245.13707	8.4
253.19542	1.8
257.19034	4.0
259.20602	22.0
261.22122	9.3
269.19080	2.1
271.20578	4.2
275.20145	1.9
277.21756	2.5
283.20560	3.0
289.21735	2.1
295.20560	1.6
297.21854	1.8
299.15118	1.9
301.21667	4.5
309.22311	2.0
313.21689	2.2
315.23361	3.1
321.22211	1.9
327.23224	1.9
333.24332	13.7
335.25873	7.4
337.21741	2.0
339.23233	3.0
341.21265	1.4
349.21683	5.7
351.23056	6.6
367.22583	6.6
369.24188	6.1
371.17078	5.0
373.18701	13.1
373.23010	2.6
385.23672	6.5
387.25336	2.3
395.29272	2.8
403.24905	2.4
441.26324	3.9
459.27542	2.2
469.33121	1.5
485.31732	2.1
487.34259	46.0
489.35617	2.2
499.34521	2.4
501.35785	1.7
503.33182	2.7
505.34537	3.1
517.35376	2.2
521.32849	1.7
529.34888	1.5
539.34009	1.6
541.35535	2.1
547.36304	2.8
557.34149	1.6
571.36072	4.2
583.35931	4.3
595.36359	17.2
613.37250	19.5
631.38489	34.1
632.39331	1.6
649.39478	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
53.03952	14.2
55.01871	7.5
55.05522	23.1
57.03442	11.8
65.03941	6.8
67.05513	64.8
69.03434	20.3
69.07078	15.6
70.77514	4.7
71.04987	5.1
73.02905	2.2
73.06554	2.9
77.03927	3.3
79.05500	100.0
81.03429	40.2
81.06588	3.8
81.07063	57.3
83.04985	20.1
83.08625	9.6
85.02917	14.0
85.06546	5.7
91.05490	82.5
93.07051	85.6
95.04981	33.5
95.08615	33.4
97.02898	10.5
97.06538	8.8
97.10155	4.0
99.04450	4.5
101.02359	2.5
103.05485	4.5
105.04545	4.6
105.07043	59.7
107.04987	14.7
107.08601	24.9
108.66794	1.7
109.02886	6.3
109.06532	10.4
109.10162	7.8
111.04456	2.6
111.08099	2.7
115.05437	5.8
117.07013	26.2
119.04979	2.9
119.08586	34.5
121.06536	11.0
121.10151	8.1
123.04399	3.1
123.08047	8.0
127.03941	11.3
127.07560	2.4
128.06239	10.8
129.07021	41.9
130.07814	2.1
131.04916	5.1
131.08580	18.4
133.06503	11.4
133.10147	18.3
135.08043	2.5
135.11679	4.1
137.09633	2.9
141.06979	7.5
143.08577	27.1
145.06461	9.7
145.10141	20.6
147.08083	7.0
147.11714	42.0
149.09552	2.8
153.07066	3.6
155.08582	9.5
156.09358	1.9
157.06522	5.1
157.10158	8.2
159.08005	5.6
159.11707	6.9
161.06123	2.2
161.09637	5.1
161.13261	14.7
163.11180	7.7
167.07074	2.0
167.08586	7.1
169.06549	2.0
169.10178	5.8
171.08047	10.1
171.11707	39.4
173.04485	16.2
173.13240	3.1
177.12656	2.2
179.10643	1.8
181.10085	6.1
183.11610	3.6
185.09637	6.4
185.13229	3.9
187.11308	2.7
189.12775	21.8
195.08022	2.5
195.11856	2.5
207.11884	3.4
207.13814	43.6
211.11084	2.1
221.15320	3.2
223.14790	5.0
225.12837	2.2
225.14871	5.0
227.14371	4.4
231.13846	3.3
233.13229	3.4
233.15295	2.3
241.15909	7.0
243.13823	3.1
245.15346	2.9
251.14325	3.7
257.15356	2.5
259.16907	5.7
263.16461	2.3
269.15393	16.8
281.17502	85.7
287.16418	13.8
297.14935	2.6
305.17340	2.5
309.17032	4.6
315.15897	5.3
333.16995	3.7
343.18948	4.1
351.18082	4.4
361.20059	4.7
365.11551	2.0
389.19577	2.5
407.20700	3.7
425.21783	8.2
469.29587	2.3
487.30597	57.3
501.32144	6.1
529.31659	3.1
539.33612	2.9
541.32068	2.4
549.32257	2.8
567.33270	9.8
631.34436	8.4
649.35388	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	647.431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21303	0.5
53.03946	2.8
55.01842	1.8
55.05513	6.7
57.03421	1.1
57.07081	8.9
59.05009	16.7
65.03914	1.7
67.05511	14.8
69.03437	4.6
69.07074	5.7
69.16361	5.4
71.05001	6.5
77.03897	1.0
79.05497	17.8
81.03432	6.8
81.07064	21.7
83.04988	22.7
83.08643	2.7
85.02874	1.8
85.06090	0.6
85.06550	8.2
86.09696	0.7
87.04455	0.5
87.50553	0.7
91.05486	19.6
93.07050	23.6
95.04388	0.7
95.04970	13.8
95.08616	13.2
97.02876	1.3
97.06539	13.0
97.10126	0.7
99.04462	3.3
99.08051	0.7
103.05442	1.5
105.04494	1.5
105.07038	37.2
106.07808	0.7
107.04953	3.2
107.08608	20.2
108.05737	1.9
109.02885	1.3
109.05807	0.7
109.06525	10.4
109.10168	9.7
111.04467	0.8
111.08085	10.7
113.09642	0.6
115.05437	2.2
116.06226	0.7
117.07027	9.9
119.04919	0.8
119.08591	26.4
120.09400	0.8
121.06525	6.1
121.10152	20.1
122.07240	1.1
123.04408	0.8
123.08077	26.7
123.11679	2.5
125.06002	38.4
125.09606	2.6
127.03863	0.8
127.07522	0.6
128.06230	3.1
129.07013	5.5
130.07771	1.9
131.08585	10.9
132.09303	1.1
133.06516	3.6
133.07448	0.7
133.10136	15.8
135.08075	10.9
135.11690	8.0
137.05966	1.7
137.09628	17.0
137.13118	0.6
139.07568	3.3
139.11180	0.6
141.06963	3.5
142.07776	7.0
143.07521	0.8
143.08577	11.0
144.09315	2.1
145.06459	1.4
145.10133	22.1
146.07263	1.1
147.08055	10.4
147.11694	6.3
148.08829	0.9
149.06023	0.7
149.09628	8.5
149.13261	1.2
151.07553	28.5
151.11148	1.9
153.07014	2.5
153.09081	1.1
154.07716	0.9
155.08568	8.5
155.10622	0.8
156.09377	4.8
157.06537	0.9
157.10146	13.5
158.10838	0.7
159.08060	3.6
159.11707	8.7
161.09625	6.1
161.13261	5.2
163.11194	100.0
164.11661	0.7
165.06989	1.4
165.09132	19.5
165.10526	1.0
165.12793	1.0
166.07794	0.9
166.34117	0.7
167.08562	2.3
167.10696	2.4
168.09378	7.3
169.10104	8.1
170.10907	1.6
171.08025	1.1
171.11708	8.0
172.08864	0.9
173.09654	4.6
173.11861	1.0
173.13187	2.8
174.10358	0.9
175.11195	2.6
175.14798	0.8
177.09151	2.1
177.12741	1.4
179.08565	2.3
179.10684	1.3
180.09361	1.5
181.10172	5.2
181.12248	38.5
182.10892	1.7
183.08154	0.9
183.10054	1.1
183.11708	21.8
184.07401	1.2
185.09653	2.4
185.13216	4.1
186.10365	0.8
187.11285	2.8
187.14832	1.2
189.09155	1.0
189.11139	0.9
189.12750	7.9
191.10660	2.1
191.14380	0.9
192.09387	0.8
193.10214	2.2
193.12143	2.8
194.10904	1.2
195.10159	1.1
195.11713	5.0
195.13789	2.2
196.08830	0.8
196.12398	1.4
197.09644	1.8
197.13364	3.4
198.10373	1.1
199.11197	2.9
199.14839	1.3
200.12027	1.2
201.12752	2.5
203.14310	6.5
206.10889	1.4
207.11736	2.1
207.13844	8.2
208.12434	1.0
209.09705	1.1
209.13263	5.0
209.15224	1.1
211.11188	3.2
211.13237	2.0
211.14958	4.3
213.12680	3.8
214.13449	0.7
215.11041	0.6
215.14348	13.4
217.15939	0.6
219.11638	1.6
219.13757	1.2
220.12489	0.6
221.13371	2.1
221.15364	37.7
223.11162	1.9
223.14857	1.8
224.11906	0.6
225.12727	1.9
225.14795	14.9
227.14410	1.7
229.12241	1.2
229.15979	1.1
231.13910	0.8
233.13261	2.7
233.15483	2.2
235.14922	1.4
235.17110	0.8
237.12875	2.1
237.16527	1.2
239.14334	0.9
239.16328	4.2
241.12277	1.0
243.13824	0.8
243.17514	0.9
246.14156	0.8
247.14775	1.2
247.17010	0.7
249.16400	0.6
251.14174	1.2
251.16269	5.6
255.13841	1.0
256.14670	1.2
257.15277	0.9
261.16550	1.0
271.16931	1.0
273.18738	0.8
275.20242	2.2
277.17981	1.3
279.17590	1.8
285.18680	1.7
286.19394	2.8
287.20160	2.4
291.19986	0.8
297.18579	2.5
299.20160	3.0
311.20154	2.6
312.20871	16.8
313.21512	3.7
317.21286	2.2
331.22662	21.6
335.20032	1.3
337.21957	0.7
343.22598	4.4
352.24155	0.9
391.26279	3.1
397.27704	0.6
407.25900	2.6
408.26828	0.7
409.27396	2.5
422.28476	2.0
423.28958	78.7
424.29398	1.6
555.37231	5.0
615.40778	0.9
629.38135	1.3
647.43347	91.6
648.43573	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	647.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24678	0.5
53.03913	1.8
55.01842	1.8
55.05512	6.0
55.96593	0.6
57.07082	7.4
59.05005	15.1
65.03929	1.5
67.05508	12.1
67.73684	0.6
69.03443	4.3
69.07081	3.8
71.04998	5.7
77.03880	0.9
79.05498	15.8
80.10995	0.7
81.03421	5.6
81.07059	18.3
83.04985	17.3
83.08572	2.0
84.07377	0.7
85.02903	1.0
85.06553	5.0
91.05485	14.6
93.06502	1.1
93.07052	18.1
94.04108	0.6
95.04975	10.3
95.08615	9.9
97.06538	12.3
97.10154	0.8
98.21518	2.1
99.04430	1.4
99.08078	1.1
103.05442	2.0
105.04539	1.1
105.07037	26.8
106.07843	0.8
107.04946	2.0
107.08604	18.5
108.05695	2.1
109.06528	7.0
109.10146	7.9
111.04499	0.9
111.08083	10.6
113.06042	0.9
115.05453	2.6
117.07040	7.0
117.29777	0.7
119.04835	1.0
119.08586	24.0
121.06495	4.3
121.09344	1.3
121.10146	18.0
122.07314	1.0
123.07210	1.3
123.08079	25.0
123.11740	1.4
125.06003	33.5
125.09615	1.8
128.06210	2.3
129.07002	4.6
130.07762	2.3
131.08571	9.1
132.09358	1.0
133.06458	2.4
133.10138	11.8
135.08067	8.3
135.11705	6.7
136.61491	0.7
137.05920	1.0
137.09624	16.4
139.07558	5.1
141.06989	3.3
142.07770	7.1
143.07521	0.8
143.08566	8.9
144.09380	1.9
145.06464	1.4
145.10132	19.2
147.08044	8.5
147.11702	6.0
148.08838	0.9
149.09627	8.0
151.07549	26.3
151.11214	1.0
153.07013	2.0
153.09109	1.2
154.07755	0.9
155.08565	8.6
156.09377	3.5
157.10132	14.2
159.08090	3.1
159.11711	7.7
160.08821	0.8
161.09610	5.3
161.13283	2.9
163.11189	100.0
164.11548	0.9
165.07039	0.9
165.09126	18.3
165.12778	0.9
166.07809	0.9
167.07207	0.8
167.08568	2.8
167.10654	1.7
168.09354	6.6
169.08742	1.5
169.10127	6.3
170.10950	1.3
171.08063	0.9
171.11703	5.6
173.09654	3.2
173.11877	1.1
173.13318	2.6
175.11246	2.2
175.14867	1.3
177.09258	0.8
177.12808	1.1
179.08646	1.4
179.10735	1.2
180.09264	1.2
181.10176	3.8
181.12260	21.3
182.10936	0.9
183.10066	1.1
183.11713	22.7
184.12384	0.6
185.09682	2.2
185.13284	3.4
187.11160	1.8
187.14935	1.1
189.11188	0.8
189.12740	7.0
191.10721	0.7
191.14378	1.4
193.10205	2.4
193.12259	2.0
194.10948	1.4
195.10187	1.3
195.11725	4.2
195.13611	1.4
196.12477	1.1
197.09714	1.1
197.13246	2.8
198.10411	1.1
199.11221	2.7
199.14839	0.8
201.12756	2.4
203.14304	6.4
207.11693	2.5
207.13863	8.1
209.09779	1.0
209.13318	3.0
209.15154	0.7
210.14072	1.0
211.11195	2.0
211.13297	2.6
211.15057	3.3
213.12759	2.6
215.14310	12.4
219.11781	1.2
219.13757	1.1
220.12489	1.2
221.13474	1.4
221.15375	37.6
223.11221	1.2
223.14906	1.3
225.12778	1.7
225.14816	20.6
226.13507	0.9
227.14349	1.8
229.12201	1.2
229.14238	0.9
233.13280	1.2
233.15416	1.8
235.14883	0.8
235.17104	1.2
237.12805	1.6
237.16454	1.3
239.16312	7.2
243.17484	1.1
247.17046	1.1
251.16290	5.0
253.16075	1.1
255.13835	1.2
256.14645	0.8
257.15479	1.3
259.14801	1.0
261.16431	1.3
271.17148	1.0
275.20206	2.3
277.18130	1.7
279.17456	1.3
285.18658	0.9
286.19339	2.0
287.20148	2.1
293.18884	0.9
295.20526	1.1
297.18530	3.1
299.20111	2.8
311.20209	2.2
312.20831	16.1
312.24191	0.9
313.21637	3.1
317.21304	1.4
325.21606	0.9
331.22672	18.7
335.20264	0.7
343.22723	4.8
349.24026	0.8
365.24744	0.7
373.26010	0.7
391.26227	3.3
405.28131	1.4
407.26108	1.8
409.27472	3.1
423.28943	81.1
424.29382	1.3
544.15607	0.7
555.37122	4.2
647.43353	63.0
648.44037	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73105	0.1
53.03949	0.7
55.01871	0.3
55.05512	1.7
57.07070	0.5
59.04998	0.5
65.03944	0.2
67.01859	0.5
67.05505	1.7
67.09859	0.1
69.03434	1.3
69.07068	0.6
70.06581	0.4
70.15604	0.5
71.04996	0.4
71.07494	0.1
71.58788	0.2
73.06550	0.3
75.04490	0.2
77.03926	0.2
79.05490	2.6
81.03422	0.6
81.07052	2.6
83.04977	1.7
83.08617	1.6
84.08152	0.2
85.06553	0.8
86.09690	0.2
91.05490	2.8
93.07044	2.7
95.04945	0.7
95.08604	1.1
97.06523	0.8
99.04456	100.0
100.04820	0.2
105.07030	3.5
107.04948	0.5
107.08598	5.4
109.06507	1.5
109.10154	1.2
111.04446	0.3
111.08056	0.8
113.09631	0.3
115.05454	0.3
115.07581	0.9
117.07009	0.8
119.08582	3.5
121.06511	4.7
121.10147	4.0
123.08062	1.0
123.11722	0.3
125.05981	1.8
125.09628	2.1
128.06299	0.2
129.07031	0.7
131.08556	1.4
132.05707	0.3
133.06526	1.1
133.10114	1.6
135.07173	0.2
135.08037	1.0
135.11700	0.2
137.09613	0.6
139.07576	0.3
139.11163	1.0
141.06993	0.3
142.07782	0.3
143.08568	0.8
145.06508	0.6
145.10130	1.5
146.07259	0.4
147.08051	14.9
147.11705	1.0
149.09618	4.1
151.07500	0.3
155.08554	0.3
155.10674	0.5
155.20587	0.1
156.09369	0.6
157.07593	0.3
157.10129	1.0
158.10837	0.2
159.08073	1.3
159.11696	0.6
160.08878	1.0
161.09631	1.7
161.13258	1.3
163.11185	0.8
163.12352	0.1
165.09128	0.9
165.12737	0.2
167.08577	0.2
167.10683	1.0
169.10077	0.3
170.08229	0.1
171.11702	0.9
173.09656	0.7
173.13264	0.5
174.10420	1.0
175.11182	0.7
177.09111	0.3
177.12971	0.1
178.09836	0.2
179.08614	0.1
181.10297	0.2
181.12274	1.4
182.11047	0.3
185.13176	0.2
187.11191	0.4
187.14838	0.3
188.12015	0.1
189.12749	17.7
190.13043	0.2
191.10718	0.2
191.14238	0.7
193.12221	0.2
197.13263	0.7
197.15385	0.8
203.14366	0.6
207.13684	0.7
211.14998	0.2
213.12917	0.2
215.14351	0.9
221.15367	7.2
222.64702	0.1
233.15417	0.5
239.16422	39.3
240.16748	0.3
247.17021	0.5
247.90398	0.1
265.18011	1.5
271.17218	0.2
273.18326	0.1
275.20096	0.3
286.19336	0.1
287.20050	0.3
312.20688	0.2
313.21548	0.3
317.21146	0.3
355.17505	0.2
396.26440	0.6
397.27676	0.8
408.26480	0.4
587.37366	0.9
615.39978	0.5
622.65076	0.2
629.39563	0.1
647.43683	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	647.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	0.8
55.05516	4.6
57.03436	0.5
57.07075	2.2
59.04997	2.1
63.02391	0.4
65.03945	0.6
67.05507	6.4
68.65813	0.4
69.03427	2.6
69.07077	2.1
70.06581	0.9
70.08449	1.1
71.04996	2.2
73.06560	0.6
79.05494	8.5
81.03419	1.8
81.07061	8.0
83.04987	3.4
83.08611	2.1
85.02898	3.9
85.06548	5.3
86.09678	0.4
88.07639	0.4
91.05482	5.1
93.07050	7.4
95.04969	3.0
95.08605	4.5
97.02877	0.4
97.06549	2.5
97.10175	0.7
99.04460	100.0
101.06039	0.5
103.05486	0.7
104.99641	0.3
105.07034	10.0
107.04965	0.9
107.08601	9.2
109.06519	3.8
109.10166	6.1
111.04432	0.8
111.08089	7.2
113.06056	0.4
113.45450	0.3
115.05470	0.7
115.07592	1.1
116.01128	0.3
116.06273	0.5
117.07042	2.2
119.08581	10.9
121.06516	6.1
121.10149	7.2
123.08078	3.9
123.11696	5.0
125.05993	4.7
125.09630	2.8
127.07552	0.4
128.06210	0.5
129.06993	1.9
130.07797	0.9
131.08580	4.0
133.06519	2.1
133.10139	3.9
135.08069	2.9
135.11699	1.2
137.06009	0.4
137.09633	3.3
139.07550	3.2
139.11182	1.7
141.07011	0.7
142.07779	2.0
143.08568	2.8
144.09387	0.5
145.06450	0.9
145.10124	5.9
146.07281	0.4
147.08054	16.7
147.11711	4.9
149.09624	6.3
151.07558	2.4
151.11201	0.4
153.07036	0.4
153.09085	0.4
155.08554	1.0
155.10715	0.6
156.09372	1.9
157.10138	5.7
158.10931	0.6
159.08063	2.2
159.11687	2.7
160.08864	1.2
160.17361	0.4
161.09628	4.0
161.13246	2.5
163.07486	0.4
163.11197	5.6
165.07007	0.4
165.09123	7.3
165.12766	0.5
167.08543	0.4
167.10704	1.6
168.09355	0.5
169.10106	1.3
171.08047	0.4
171.11655	2.2
172.08896	0.4
173.09615	2.1
173.11853	0.5
173.13275	1.7
174.10405	1.3
175.11214	1.7
177.09103	0.5
177.12704	0.5
179.08578	0.6
179.10728	0.5
179.14259	0.6
181.10231	0.8
181.12254	4.2
182.10936	0.6
183.11711	2.0
185.09666	0.6
185.13281	1.0
187.11221	1.5
188.11981	0.7
189.12755	22.0
191.10706	0.5
191.14348	1.1
193.10193	0.7
193.12256	0.8
195.11777	1.2
197.13268	1.4
197.15300	1.0
199.11102	0.9
200.20126	0.6
201.12772	1.1
203.14304	3.6
207.11804	0.7
207.13815	4.0
209.13321	0.8
209.15320	0.6
211.11333	0.6
211.13144	0.7
213.12665	0.5
215.14368	1.6
219.13972	0.5
221.13390	0.8
221.15367	22.1
223.14845	0.4
225.12901	0.6
225.16545	0.4
227.12624	0.4
227.14656	0.4
231.13907	0.5
233.15414	1.2
235.16962	0.4
239.16428	40.5
247.17073	0.6
251.16310	3.5
257.15405	0.4
265.17984	2.4
271.17001	0.7
274.27524	2.3
275.20142	1.1
281.19000	0.4
286.19269	1.5
287.20078	1.2
299.20026	1.1
304.20392	0.6
312.20734	2.3
313.21744	0.5
317.21121	3.8
331.22705	1.1
343.22849	0.8
365.24802	1.2
377.24564	0.4
381.24240	1.3
382.25253	0.7
382.51352	0.4
396.26572	7.7
397.27399	17.6
398.27783	0.5
408.26834	0.9
409.27353	3.3
422.28244	1.0
423.28983	4.3
562.58466	0.4
615.40289	0.8
629.37439	0.6
631.49829	0.4
647.41199	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	645.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02386	0.8
51.02369	1.2
53.03935	3.4
53.46741	0.7
55.01635	0.8
55.01875	9.8
55.05513	29.0
56.79623	0.8
57.03439	5.8
57.07062	3.1
59.04989	2.2
61.11457	0.8
63.85922	0.7
65.03921	3.5
67.05506	65.2
69.03416	3.4
69.07074	24.2
70.08974	3.0
71.04977	3.7
71.08620	1.4
73.06568	1.0
75.04475	2.6
79.05495	42.7
80.05840	0.8
81.03426	6.8
81.07059	100.0
82.07395	1.1
83.04499	1.0
83.04980	14.1
83.08152	1.0
83.08619	13.7
85.02913	3.8
85.06551	4.5
91.05487	25.5
92.05797	1.0
93.07050	40.0
94.07390	1.0
95.04974	16.7
95.08610	41.9
97.06535	8.7
97.10169	15.1
99.04433	1.9
99.08076	2.4
101.06016	1.4
103.05462	1.7
105.04497	1.9
105.07037	26.0
107.04968	5.1
107.08588	23.7
109.06544	7.9
109.09475	1.5
109.10155	18.1
111.04450	12.9
111.08098	9.0
113.05997	0.8
115.05447	1.8
115.39907	0.8
117.07020	11.0
119.08590	25.8
121.06518	6.3
121.09344	1.1
121.10146	17.7
123.07213	1.3
123.08075	23.3
123.11694	6.7
125.06007	0.9
125.09642	11.4
128.06210	1.4
129.07022	4.7
130.07768	1.2
131.08580	14.7
132.05708	0.8
133.06476	2.0
133.10130	15.1
135.08046	6.1
135.11691	11.6
137.09615	5.4
137.13243	1.9
139.03096	0.9
139.11151	2.1
142.07799	1.8
143.08592	5.7
145.10132	15.3
147.08047	5.6
147.11688	8.1
149.09653	5.2
149.13252	3.1
151.07542	1.6
151.11212	1.4
153.09091	2.1
153.12732	7.4
155.08498	2.2
156.09404	0.9
157.10139	5.8
158.10846	0.8
159.08104	1.9
159.11676	5.5
161.09659	3.9
161.13283	4.5
163.11179	15.0
165.09135	4.0
165.12801	1.2
169.10109	2.5
171.10233	1.7
171.11673	3.0
173.09598	3.6
173.13251	3.4
175.11166	2.8
175.14828	2.8
177.09004	0.8
177.12746	2.6
179.10667	1.0
181.10036	1.5
181.12234	9.9
183.11668	2.6
185.13292	2.8
187.11154	1.0
187.14809	1.3
189.09596	1.4
189.11223	15.8
189.12715	1.2
189.16331	0.9
191.10681	7.6
191.14323	1.1
193.10435	0.9
193.12218	3.3
193.15785	0.8
195.11621	1.7
197.13312	1.7
199.14877	1.2
201.12613	0.9
201.16409	0.8
203.79538	0.8
207.13750	1.1
209.11702	2.2
209.13380	1.6
213.16396	0.9
221.15340	2.0
223.13274	4.8
223.16936	1.2
227.12770	13.9
227.17972	1.6
233.13260	0.9
237.16548	1.0
239.18056	1.1
241.19476	1.3
245.18939	1.8
245.22736	1.9
247.16872	0.8
251.16432	1.1
255.17418	3.0
257.19089	2.2
259.20401	1.1
263.20276	1.0
263.23654	2.1
273.15857	1.4
273.18533	17.7
275.20074	5.5
283.15402	3.5
291.19553	52.3
292.19540	1.2
293.20993	2.0
309.20612	3.4
313.21875	0.8
317.24878	1.4
335.25870	4.2
337.27362	31.9
347.22101	2.3
365.23251	18.0
372.71832	1.2
489.56445	0.9
553.42560	1.0
609.44989	4.5
627.36859	1.4
627.46173	20.7
645.47772	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52435	1.1
53.03942	5.3
55.01881	6.1
55.05515	26.7
57.03190	1.4
57.03442	12.9
57.07063	4.3
59.04993	1.7
65.03934	4.0
65.60818	1.1
67.05508	78.8
68.05844	1.4
69.03421	3.1
69.07070	26.1
70.97910	1.2
70.98239	2.1
71.04979	4.5
75.04485	5.8
77.03945	1.4
79.05497	61.8
81.03414	5.1
81.07060	100.0
82.07370	1.2
83.04985	6.8
83.08624	17.8
84.08936	1.2
85.06533	4.5
87.04468	1.8
88.43609	1.2
89.06040	6.7
91.05490	41.3
92.62105	1.1
93.07050	61.9
95.04974	13.0
95.08612	60.3
96.08960	1.2
96.42280	1.1
97.06538	11.1
97.10186	7.6
99.08070	4.0
101.06020	1.4
103.05459	1.5
105.04520	1.6
105.07035	52.9
107.04961	7.3
107.08602	38.2
109.06527	14.2
109.10161	29.9
111.08080	5.0
113.05984	1.3
115.05412	1.4
115.07555	1.8
117.07014	15.1
119.08591	40.4
121.06510	4.6
121.10142	37.3
122.15465	1.3
123.08055	9.5
123.11719	10.5
123.42843	1.1
125.06000	2.1
125.09632	3.6
127.07547	1.5
128.06165	1.4
129.06978	6.6
131.08577	21.7
133.06506	3.5
133.08568	3.0
133.10135	30.8
135.08078	7.2
135.11703	16.6
137.09641	5.8
137.13271	3.4
139.11154	2.7
141.06982	1.9
141.09134	1.5
142.07785	2.4
143.08583	8.0
145.10132	28.0
147.08070	5.7
147.11696	22.0
148.12135	1.5
149.09628	11.7
149.13255	10.0
151.07567	1.9
151.11150	3.9
155.08566	3.5
156.09305	1.5
157.10133	10.8
159.08083	1.6
159.11707	19.0
161.09657	3.7
161.13281	8.4
163.11195	7.7
163.14813	3.4
165.09061	2.6
165.12750	4.2
167.08612	1.6
167.10658	2.8
169.10146	3.9
171.11719	7.6
173.09622	3.1
173.13277	11.8
175.11194	3.6
175.14818	4.5
177.12737	4.2
177.16359	1.6
179.14230	1.4
181.10028	1.5
181.12195	4.8
183.11681	5.5
183.13823	1.3
185.13223	4.5
187.11211	1.8
187.14835	4.3
188.57880	1.1
189.11298	1.1
189.12859	2.2
191.14284	2.8
193.12291	1.9
195.11757	1.7
197.13232	4.7
199.14847	3.5
201.12846	1.6
201.16396	1.6
203.14412	1.8
205.12126	1.1
205.15836	1.9
207.13896	2.7
209.13280	3.1
209.15414	1.1
211.13164	2.3
211.14964	1.5
213.16409	1.8
215.14197	1.5
215.17870	1.2
217.15880	1.2
219.17500	1.5
221.13353	1.4
221.15340	4.0
223.16991	1.9
229.19493	2.9
231.17545	1.3
233.15240	1.2
233.19081	1.8
239.18039	3.1
243.21120	4.4
247.20589	4.2
249.14798	1.6
257.19012	7.9
259.20654	3.1
261.22186	11.5
273.18646	1.2
275.20062	52.0
276.20468	1.3
277.21527	2.9
279.23248	2.0
291.19623	1.7
292.06113	1.2
293.21118	11.5
317.24530	2.2
331.22678	2.2
333.24078	3.2
335.25809	89.3
336.25787	1.2
349.23727	25.1
351.25082	1.8
367.20490	1.4
367.24841	16.3
428.80911	1.2
517.39215	2.0
529.38666	1.9
535.41669	2.6
544.45819	1.3
553.42133	3.8
581.39337	1.3
609.45117	21.6
613.40411	2.3
627.37000	1.8
627.46252	32.8
627.61609	1.5
645.45251	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	645.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03942	4.0
55.01878	9.0
55.05513	50.6
57.03444	12.2
57.07082	2.7
59.05010	3.2
65.03944	5.6
67.05508	76.6
69.03419	3.7
69.06731	2.2
69.07075	28.8
69.82076	6.2
71.04993	6.4
73.62112	1.4
75.04456	1.6
77.03924	1.3
78.84125	1.4
79.05014	1.4
79.05496	64.2
81.03436	6.2
81.07061	73.1
83.04986	18.3
83.08153	2.0
83.08627	29.7
85.02893	4.5
85.06544	4.6
91.05484	39.2
93.07047	65.8
95.04971	83.7
95.08612	57.9
95.09074	1.1
97.06543	7.8
97.10174	15.8
99.04475	6.6
99.08062	1.8
101.06065	1.8
105.04486	1.6
105.07037	34.9
107.04968	10.1
107.08600	51.5
109.06513	8.6
109.10162	30.4
111.04451	14.6
111.08099	7.7
115.05454	1.8
117.07023	13.1
119.08587	32.1
121.06510	6.2
121.10152	31.9
123.08067	8.8
123.11687	8.0
125.09633	16.4
129.07013	4.2
131.08565	22.8
133.06490	1.3
133.10121	19.9
135.08070	7.1
135.11690	20.3
136.56755	1.3
137.09641	3.0
137.13214	1.2
139.11197	2.0
140.46826	1.5
141.07014	2.4
143.08586	4.0
145.10133	26.5
147.08064	6.2
147.11684	11.3
149.09622	32.8
149.13254	8.2
153.09082	2.0
153.12778	3.6
155.08586	2.6
157.10167	3.6
159.08102	1.5
159.11696	14.7
161.09625	3.5
161.13202	6.9
163.11195	27.3
163.14874	2.3
165.12747	2.5
169.10121	4.1
171.10239	2.4
171.11664	2.9
173.09735	1.5
173.13220	9.5
175.11134	2.2
175.14740	2.5
177.12794	4.5
178.37462	1.3
179.14311	1.3
181.10088	1.4
181.12277	4.2
183.11778	3.0
185.13214	1.5
187.11220	5.1
187.14845	3.7
189.11232	17.5
189.12752	2.1
191.14409	1.8
193.12303	3.3
197.13281	3.1
199.14740	1.4
201.12836	1.2
205.12213	7.5
207.13876	1.3
211.13306	1.9
215.17921	1.5
219.13785	1.9
223.13297	74.7
227.12767	3.6
229.19417	2.6
239.17975	3.3
243.21112	4.4
247.20786	2.1
257.19073	9.7
261.22177	13.5
275.20071	77.2
275.31473	1.3
293.21124	61.5
311.22122	1.8
317.24747	4.3
335.25818	100.0
349.23691	8.5
367.24802	48.6
367.29498	2.4
418.34595	1.5
517.40027	2.7
535.41370	1.6
609.45203	7.2
627.46252	71.8
628.46210	2.4
645.46661	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	645.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
53.03941	3.4
55.01875	8.0
55.05511	37.0
57.03439	9.4
57.07063	2.6
59.04998	1.0
65.03943	3.8
67.05505	58.8
69.03448	1.8
69.07069	19.5
70.98550	1.8
71.04988	4.3
71.08617	0.9
75.04485	1.2
76.96789	0.8
79.05492	49.5
81.03423	3.7
81.07056	58.5
83.04983	10.8
83.08620	19.7
85.02908	3.1
85.06540	2.7
91.05479	30.9
93.07045	54.9
95.04969	57.5
95.07991	2.0
95.08607	42.7
97.06531	7.0
97.10174	9.6
99.04439	4.2
99.08073	1.4
105.04520	1.5
105.06319	1.2
105.07029	27.6
107.04955	6.8
107.08592	33.6
109.06502	5.6
109.10152	19.4
111.04453	10.7
111.08105	4.8
113.09624	1.0
117.07019	10.5
119.08585	21.1
121.06492	5.0
121.10148	25.6
121.53271	0.8
123.08056	4.1
123.11704	6.5
125.06009	1.6
125.09642	10.2
128.06158	0.9
129.07013	2.4
131.08560	17.4
133.10136	15.5
135.08063	4.4
135.11693	15.4
137.09618	2.2
137.13298	1.4
139.11171	2.2
141.07043	1.7
143.08559	3.6
145.10123	18.4
147.08003	3.9
147.11694	9.5
149.09622	21.4
149.13298	4.1
151.11127	1.2
153.09120	2.3
153.12755	2.7
155.08554	2.0
157.10147	2.7
159.08041	0.9
159.11702	11.3
161.09586	1.7
161.13255	5.4
163.11188	19.3
163.14763	2.0
165.09128	1.0
165.12802	1.0
169.10146	2.0
171.11702	3.3
173.09573	1.2
173.13263	6.0
175.11191	2.1
175.14828	1.7
177.12717	3.1
179.10692	0.9
181.12274	2.9
183.11702	1.3
185.13226	1.9
187.11218	2.3
187.14865	2.3
189.11198	10.4
189.12714	1.0
191.10634	1.1
191.14244	1.2
193.12303	1.0
197.13275	2.0
199.14766	1.0
205.12296	3.2
207.13861	1.1
211.13269	1.9
215.14423	1.0
223.13281	40.0
223.16701	1.5
227.12793	1.9
229.19501	2.9
237.14760	1.4
239.17943	1.8
243.21121	2.6
247.20526	1.5
249.18575	0.9
257.19006	4.8
261.22159	11.6
273.18436	0.8
275.20071	47.5
277.21735	1.0
279.23407	1.1
293.21112	34.3
317.24768	2.9
335.25800	100.0
336.26083	1.6
349.23776	6.2
367.24792	28.3
501.35870	1.0
609.44958	6.0
627.46198	53.8
628.46674	1.8
645.45947	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	645.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02386	0.8
51.02369	1.2
53.03935	3.4
53.46741	0.7
55.01635	0.8
55.01875	9.8
55.05513	29.0
56.79623	0.8
57.03439	5.8
57.07062	3.1
59.04989	2.2
61.11457	0.8
63.85922	0.7
65.03921	3.5
67.05506	65.2
69.03416	3.4
69.07074	24.2
70.08974	3.0
71.04977	3.7
71.08620	1.4
73.06568	1.0
75.04475	2.6
79.05495	42.7
80.05840	0.8
81.03426	6.8
81.07059	100.0
82.07395	1.1
83.04499	1.0
83.04980	14.1
83.08152	1.0
83.08619	13.7
85.02913	3.8
85.06551	4.5
91.05487	25.5
92.05797	1.0
93.07050	40.0
94.07390	1.0
95.04974	16.7
95.08610	41.9
97.06535	8.7
97.10169	15.1
99.04433	1.9
99.08076	2.4
101.06016	1.4
103.05462	1.7
105.04497	1.9
105.07037	26.0
107.04968	5.1
107.08588	23.7
109.06544	7.9
109.09475	1.5
109.10155	18.1
111.04450	12.9
111.08098	9.0
113.05997	0.8
115.05447	1.8
115.39907	0.8
117.07020	11.0
119.08590	25.8
121.06518	6.3
121.09344	1.1
121.10146	17.7
123.07213	1.3
123.08075	23.3
123.11694	6.7
125.06007	0.9
125.09642	11.4
128.06210	1.4
129.07022	4.7
130.07768	1.2
131.08580	14.7
132.05708	0.8
133.06476	2.0
133.10130	15.1
135.08046	6.1
135.11691	11.6
137.09615	5.4
137.13243	1.9
139.03096	0.9
139.11151	2.1
142.07799	1.8
143.08592	5.7
145.10132	15.3
147.08047	5.6
147.11688	8.1
149.09653	5.2
149.13252	3.1
151.07542	1.6
151.11212	1.4
153.09091	2.1
153.12732	7.4
155.08498	2.2
156.09404	0.9
157.10139	5.8
158.10846	0.8
159.08104	1.9
159.11676	5.5
161.09659	3.9
161.13283	4.5
163.11179	15.0
165.09135	4.0
165.12801	1.2
169.10109	2.5
171.10233	1.7
171.11673	3.0
173.09598	3.6
173.13251	3.4
175.11166	2.8
175.14828	2.8
177.09004	0.8
177.12746	2.6
179.10667	1.0
181.10036	1.5
181.12234	9.9
183.11668	2.6
185.13292	2.8
187.11154	1.0
187.14809	1.3
189.09596	1.4
189.11223	15.8
189.12715	1.2
189.16331	0.9
191.10681	7.6
191.14323	1.1
193.10435	0.9
193.12218	3.3
193.15785	0.8
195.11621	1.7
197.13312	1.7
199.14877	1.2
201.12613	0.9
201.16409	0.8
203.79538	0.8
207.13750	1.1
209.11702	2.2
209.13380	1.6
213.16396	0.9
221.15340	2.0
223.13274	4.8
223.16936	1.2
227.12770	13.9
227.17972	1.6
233.13260	0.9
237.16548	1.0
239.18056	1.1
241.19476	1.3
245.18939	1.8
245.22736	1.9
247.16872	0.8
251.16432	1.1
255.17418	3.0
257.19089	2.2
259.20401	1.1
263.20276	1.0
263.23654	2.1
273.15857	1.4
273.18533	17.7
275.20074	5.5
283.15402	3.5
291.19553	52.3
292.19540	1.2
293.20993	2.0
309.20612	3.4
313.21875	0.8
317.24878	1.4
335.25870	4.2
337.27362	31.9
347.22101	2.3
365.23251	18.0
372.71832	1.2
489.56445	0.9
553.42560	1.0
609.44989	4.5
627.36859	1.4
627.46173	20.7
645.47772	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
54.69033	0.2
55.05268	0.3
55.05513	4.3
57.03412	0.3
57.07074	1.9
59.05001	10.4
65.03930	0.7
67.05508	3.2
69.03422	0.8
69.07065	1.8
71.04994	0.5
73.06554	8.0
73.06976	0.3
75.04484	5.3
79.05489	3.6
81.03426	0.6
81.06592	0.3
81.07056	5.1
83.04983	1.8
83.08613	1.0
85.06544	17.9
91.05479	6.7
93.07039	6.3
95.04965	1.4
95.08063	0.3
95.08611	3.6
97.06528	1.8
99.04469	0.3
99.08087	1.1
101.06020	4.7
101.74776	0.2
103.05443	0.2
105.04532	0.3
105.07029	11.2
107.04933	0.4
107.08596	14.7
109.06511	1.3
109.10150	7.4
111.08076	1.1
115.05418	0.8
116.06219	0.5
117.07018	3.4
119.08583	10.6
121.06512	1.5
121.10146	4.3
123.08083	3.0
123.11671	1.5
125.09644	2.0
129.07008	1.5
130.07796	0.3
131.08569	24.0
133.06479	0.2
133.10130	15.3
135.08057	6.4
135.11723	1.5
137.09607	1.0
139.07509	0.4
139.11165	2.0
141.06917	0.3
143.08574	1.9
144.09314	0.7
145.10121	5.6
147.08037	0.9
147.10515	0.4
147.11691	7.6
149.09625	6.8
149.13257	3.2
150.10394	0.3
151.07516	0.3
151.11172	2.5
155.08514	0.3
156.09332	0.6
157.10130	0.8
158.10902	3.7
159.08104	0.3
159.11658	0.6
161.09622	0.8
161.13281	0.4
163.11176	1.7
163.14801	1.4
164.11934	0.3
165.09100	0.7
165.12791	1.0
167.10696	1.6
169.10098	0.4
171.11703	0.9
173.13261	26.6
175.11122	0.5
175.14818	5.9
177.12778	0.4
179.14162	0.2
181.10100	0.4
181.12227	0.6
183.13788	2.0
185.13197	0.2
189.12758	0.3
191.14299	16.0
191.96629	0.2
193.15941	1.2
201.12845	0.3
203.14311	0.4
205.15858	5.7
205.17586	0.4
208.14462	0.3
211.11308	0.2
221.15382	1.8
222.15793	0.5
223.16925	100.0
224.17255	0.9
229.81476	0.4
231.17329	0.2
249.18547	0.7
260.74539	0.2
330.22076	0.3
422.28186	4.2
448.27698	0.4
462.31232	0.3
488.15012	0.2
538.56512	0.2
550.08380	0.2
645.42902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.3
56.05001	0.5
61.32040	0.2
65.03916	0.3
67.05480	0.6
69.07043	0.4
69.18629	0.8
69.19050	1.9
70.06590	3.2
72.08109	1.2
77.03910	0.3
79.05478	0.5
80.36976	0.3
82.04082	0.3
83.61623	0.3
84.04465	0.5
84.08152	2.0
85.02887	0.7
86.09705	1.9
91.05431	0.6
94.06579	1.3
95.07305	0.7
95.08575	0.3
96.08137	0.3
105.06937	0.3
110.07134	0.5
117.05757	0.3
119.04858	0.3
120.08064	1.1
122.06033	11.0
129.10252	1.3
130.06503	0.5
134.30339	0.3
136.07527	0.9
138.05455	1.0
138.09091	0.5
146.06021	1.8
148.07466	0.4
158.05959	0.4
160.07532	1.1
162.05496	0.3
166.04965	0.9
169.08899	0.3
171.10426	0.3
174.05426	0.3
174.07838	0.4
174.09149	3.5
181.08774	0.4
182.09627	0.6
183.09232	0.3
183.24495	0.3
184.11232	0.3
185.08356	2.4
185.10762	0.4
186.05560	0.3
194.08322	0.5
195.09183	0.9
196.09819	0.6
196.11362	0.4
197.10716	1.0
198.09120	0.8
198.11398	0.5
199.08583	0.3
200.10722	0.5
204.06679	0.3
208.09879	1.0
209.10748	4.4
210.07741	0.4
210.11501	3.8
211.08589	0.4
211.12292	1.6
212.10718	1.0
212.12959	0.6
213.10130	0.7
214.10773	1.8
220.09962	0.3
221.10794	0.3
222.11546	0.4
223.08649	0.9
223.12265	3.1
224.09297	0.3
224.11046	0.4
224.13017	1.2
225.10150	4.3
225.13832	1.1
226.11008	1.1
227.11772	1.4
227.79395	0.3
228.08899	0.3
230.11732	0.3
235.08568	0.6
235.12296	0.4
236.09415	1.1
237.10240	9.3
238.10970	3.4
239.11761	5.8
240.12584	1.8
241.09709	1.3
241.13358	0.6
242.10442	4.4
243.11230	0.5
249.10289	0.5
251.08055	0.4
251.11778	4.6
252.12572	4.4
253.09703	0.6
253.13387	4.6
254.10429	0.4
255.11279	2.9
256.12012	1.4
257.12836	0.8
259.14420	0.3
265.09760	1.7
266.10422	1.1
267.11349	0.5
268.12045	0.5
269.12885	2.2
272.11563	1.0
277.09689	0.6
278.10336	0.4
279.11240	2.6
280.12073	20.7
281.12839	12.2
282.10043	0.4
283.10812	2.4
285.12387	1.5
292.08398	0.5
297.12292	4.7
298.13080	0.5
299.13947	1.7
305.09274	0.6
307.10794	1.6
310.09518	1.6
315.05087	0.5
323.10165	1.3
325.11826	100.0
326.12216	1.0
343.12888	61.7
344.13306	0.7
351.09760	0.8
369.10846	1.1
379.24261	0.4
397.25604	5.4
583.25568	11.6
601.31964	1.0
609.23969	0.5
645.30981	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.2
53.03944	5.4
55.01878	5.7
55.05512	29.1
57.03439	10.8
57.07062	3.9
59.05008	1.6
63.70658	1.1
65.03950	5.1
65.95078	1.0
67.05505	71.5
69.03433	2.8
69.07070	28.7
70.66579	1.1
71.05016	5.5
71.05337	1.5
73.93874	0.9
77.03933	2.0
77.26929	1.2
79.05495	61.8
81.03400	3.1
81.07057	100.0
83.04990	7.1
83.08617	14.5
85.06544	4.8
88.09110	1.0
91.05482	65.2
93.07047	60.0
93.07592	0.8
95.04963	10.6
95.08609	51.2
97.06520	6.6
97.10179	6.7
99.08089	2.5
103.05442	2.4
105.07034	70.8
107.04965	8.1
107.08591	40.1
109.06522	11.8
109.10154	20.6
111.04385	1.1
111.08099	5.6
111.25011	1.0
113.09626	1.5
115.05419	1.4
116.06218	1.9
117.07013	21.2
119.08582	57.1
121.06487	4.7
121.10141	31.8
121.11032	1.2
123.08100	9.1
123.11705	11.0
125.09610	5.0
128.06233	1.9
129.05475	1.6
129.07004	13.7
130.07788	1.6
131.08568	32.3
133.06476	1.3
133.10130	41.6
135.08083	6.2
135.11697	19.4
137.09618	4.7
137.13269	1.5
139.11185	2.4
141.06998	3.5
142.07762	2.9
143.08554	13.5
145.06514	1.2
145.10127	29.4
147.08037	2.8
147.11688	43.9
149.09619	8.6
149.13274	9.2
151.11172	4.2
155.08556	4.4
156.09369	1.4
157.10124	13.9
159.11705	24.7
161.09613	4.0
161.13251	25.0
163.11185	7.0
163.12378	1.1
163.14824	3.1
165.12750	6.3
167.08627	2.5
169.10100	7.6
171.11673	14.9
173.09642	2.3
173.13263	13.5
175.11168	4.1
175.14835	10.8
177.12709	3.6
181.10129	2.7
183.11653	5.4
185.13248	11.0
187.11127	1.3
187.14833	5.6
189.11200	1.3
189.12740	3.1
191.14339	2.1
193.10323	1.3
193.12285	2.1
195.11722	2.5
195.13708	1.9
197.13274	5.1
199.11127	1.4
199.14815	7.3
201.12752	1.9
201.16391	3.5
203.14288	2.1
205.15726	1.1
207.11691	1.6
207.13731	1.4
209.13301	2.3
211.14807	3.3
213.16379	3.2
215.14359	1.1
215.17967	2.9
217.16008	1.3
217.19447	2.7
221.13388	1.9
221.15376	4.8
223.14963	2.1
227.17940	1.9
229.15985	1.2
229.19553	3.0
231.17493	1.5
231.21086	3.1
237.16493	1.5
239.17975	3.7
241.19521	25.3
243.21034	2.3
247.20596	2.6
255.17456	1.2
257.19006	11.2
259.20587	50.6
261.22119	2.5
271.20465	1.3
273.18469	5.5
273.43655	1.1
275.20071	51.8
277.21576	4.0
285.22165	1.4
288.87427	1.0
289.21774	2.0
291.19595	2.1
293.21115	14.0
297.22055	1.7
315.23248	6.2
331.22711	1.7
333.24240	53.9
335.25867	5.5
347.22156	1.7
349.23706	10.2
351.25317	4.6
365.23151	2.6
367.24817	32.4
368.09421	1.3
423.32028	1.3
441.33752	1.2
497.36682	1.6
501.35574	1.3
513.35529	3.5
515.37537	8.8
527.37292	2.0
533.40100	6.5
551.41180	7.3
607.43585	16.7
625.44568	32.8
626.45483	2.1
643.45630	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03936	3.8
55.01878	7.7
55.05272	2.0
55.05515	24.4
55.81033	1.0
57.03446	7.8
57.07068	3.5
57.83309	1.3
58.36193	1.0
61.54037	1.1
65.03934	4.0
67.05507	68.0
68.05846	1.2
69.03424	3.1
69.07073	28.8
69.07439	1.0
71.04986	5.9
71.08626	2.3
73.35328	1.3
78.04635	1.1
79.05496	55.7
81.03396	4.0
81.07059	100.0
82.07406	1.6
83.04972	6.9
83.08618	14.5
85.06551	5.8
85.06973	1.2
91.05482	62.1
92.05827	1.2
93.07043	54.9
94.07380	1.8
95.04979	14.9
95.08611	46.0
97.06535	12.4
97.10153	5.8
98.21520	3.4
99.04462	1.6
99.08089	4.4
102.65441	1.1
103.05475	2.5
105.04475	1.5
105.07032	71.2
106.07355	1.3
107.04957	8.7
107.08600	36.4
109.06522	14.9
109.10156	19.9
109.87929	1.3
111.04465	1.9
111.08077	4.8
111.11771	1.2
113.09608	1.5
115.05453	2.4
117.07023	19.2
119.08586	56.6
121.06490	5.9
121.09325	2.1
121.10155	30.7
123.08073	9.4
123.11706	10.0
125.09612	4.5
128.06219	3.4
128.69925	1.1
129.05501	2.6
129.07024	12.8
130.07809	2.7
131.08559	32.8
133.06494	2.6
133.10138	41.4
135.08038	6.4
135.11694	19.4
137.09598	6.0
137.13258	2.0
139.11217	2.2
141.06979	1.5
142.07793	2.4
143.08575	12.7
145.06432	1.8
145.10126	28.6
147.08014	5.3
147.11688	38.1
149.09624	12.9
149.13274	11.0
151.07541	1.3
151.11148	4.0
153.01794	1.2
153.12726	1.2
155.08553	3.0
157.10123	12.8
159.08031	1.7
159.11687	22.7
161.09627	5.5
161.13271	23.7
163.11151	6.8
163.14809	4.1
165.09084	1.8
165.12726	5.8
167.08540	1.8
167.10623	1.6
169.10098	3.6
170.10913	1.0
171.11703	12.3
173.09665	1.8
173.13260	15.6
175.11188	5.8
175.14830	11.2
177.12720	3.6
179.08684	1.9
179.10567	1.4
179.14362	1.9
181.10095	2.7
181.12325	1.8
183.11679	5.1
185.13248	9.6
187.11211	1.7
187.14807	5.5
189.11234	1.3
189.12785	2.7
189.16365	1.7
191.10442	1.3
193.12196	1.3
195.11734	2.0
195.13661	1.4
197.13277	3.9
199.14888	6.3
201.12750	1.3
201.16396	2.5
205.16002	1.3
206.86136	1.2
207.13779	2.7
209.13264	2.3
210.13931	1.2
210.21899	1.3
211.14873	2.7
213.16405	2.8
215.14226	1.9
215.17944	2.6
217.19447	2.0
221.15265	1.9
223.13144	1.5
227.12773	1.6
229.19508	3.3
231.21062	4.2
233.15431	2.5
235.14645	1.3
239.18088	6.2
241.19508	21.3
243.21083	2.2
247.20557	2.7
255.17546	1.2
257.18985	11.7
258.98151	1.1
259.20596	41.6
265.21631	1.6
273.18433	4.7
273.21631	1.4
275.20078	48.9
276.20392	3.3
277.21426	5.2
289.18173	1.2
291.19595	4.5
293.21088	13.8
297.21985	1.4
315.23196	4.3
333.24231	48.2
335.25818	3.6
349.23788	11.6
350.24353	1.3
351.25137	5.9
365.23187	2.0
367.24771	32.7
405.30923	1.4
501.35825	1.5
513.36371	1.9
515.37561	3.8
527.36597	1.3
533.39679	4.1
551.40839	4.8
607.43689	13.5
625.34900	1.6
625.44580	25.6
643.44739	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01872	6.0
55.05513	23.1
57.03437	8.6
57.07067	3.2
65.03937	4.1
67.05506	60.3
69.03423	2.0
69.07071	26.6
71.04985	3.6
71.08646	1.4
77.03920	1.1
79.05499	56.0
81.03423	3.1
81.07059	100.0
83.04996	5.4
83.08618	15.7
85.06552	5.6
91.05484	66.1
93.07048	60.9
95.04975	12.1
95.08611	41.1
97.06534	9.2
97.10188	5.1
99.04470	1.3
99.08084	5.2
103.05455	2.3
105.04582	1.2
105.07034	66.3
107.04961	7.8
107.08595	35.2
109.06525	19.0
109.10166	17.8
111.08092	6.7
113.09599	1.0
115.05418	2.1
116.06237	1.3
117.07022	15.2
119.08585	54.6
121.06505	4.7
121.10149	27.1
123.08075	8.9
123.11716	9.3
125.09638	3.5
127.07541	1.4
128.06226	2.8
129.07010	11.3
130.07816	1.5
131.08566	27.4
133.06467	2.6
133.10132	43.1
135.08055	5.9
135.11685	16.8
137.09641	4.7
137.13248	1.7
139.11179	2.1
141.06961	1.3
142.07785	1.5
143.08571	11.5
145.06517	1.3
145.10127	24.5
147.08066	2.6
147.11696	46.3
149.09641	9.0
149.13257	12.4
151.11165	2.9
153.09106	1.5
155.08572	3.3
157.10136	12.6
159.08070	1.6
159.11703	21.4
161.09619	3.8
161.13246	26.1
163.11174	8.3
163.14824	3.5
165.12766	6.5
167.08455	1.1
168.09311	1.1
169.10129	3.7
171.11676	11.4
173.09615	1.3
173.13278	14.4
175.11221	4.5
175.14813	12.7
177.12767	3.3
179.14333	2.7
181.10115	2.4
183.11716	4.1
185.13268	10.5
187.11211	1.7
187.14815	3.8
189.12697	3.0
191.14346	1.7
193.12251	3.7
195.11681	2.4
197.13271	2.8
199.14873	5.6
201.12822	1.2
201.16399	2.1
203.14371	1.4
207.11852	1.4
207.13826	1.6
209.13278	1.2
213.16376	2.1
215.14330	1.0
215.17963	3.4
217.19650	1.3
220.12766	1.0
229.19521	2.8
231.21069	5.7
239.17989	3.9
241.19524	27.1
243.21053	1.1
247.20589	3.9
257.19031	9.2
259.20581	50.9
267.15985	1.2
273.18533	3.7
275.20071	44.4
276.20380	1.3
277.21646	4.4
291.19394	4.4
293.21149	11.7
297.22086	1.3
299.19574	0.9
315.23187	6.6
331.22568	1.9
333.24243	56.6
335.25842	4.4
347.22137	1.3
349.23697	9.0
351.25558	4.4
365.23254	1.8
367.24786	34.7
501.35510	2.3
515.38000	2.9
533.39819	6.3
543.84668	1.1
551.41107	4.7
569.42096	1.2
607.43427	8.2
625.44647	21.1
643.46094	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	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93629	1.2
53.03944	5.2
55.01630	1.5
55.01878	14.4
55.05512	92.8
57.03439	11.8
57.07069	3.5
65.03934	4.6
65.21711	1.5
67.05505	79.9
69.03427	4.5
69.07070	34.8
71.04993	8.5
71.08627	1.4
74.61933	1.2
79.05493	67.0
81.03429	7.5
81.07056	82.6
83.04987	12.9
83.08621	65.9
83.09130	2.2
85.02898	3.4
85.06561	6.6
90.10650	1.3
91.05484	77.4
93.07044	73.9
95.04971	71.5
95.08607	61.1
97.06542	8.5
97.10180	17.3
99.04453	3.8
99.08073	3.8
103.05492	3.0
105.04514	1.6
105.07032	69.5
106.07342	1.7
107.04954	11.5
107.08594	53.1
107.09313	3.1
109.06522	11.3
109.10155	30.6
110.00627	1.6
111.04441	10.2
111.08096	10.2
113.05914	1.5
113.09652	4.0
115.05419	3.7
117.07020	31.2
119.04890	1.7
119.06084	1.4
119.08582	63.0
121.06514	7.6
121.10140	36.2
123.08073	10.1
123.11692	6.8
125.09621	13.2
128.06229	2.1
129.05479	1.8
129.06995	19.6
130.07784	3.3
131.08572	47.4
133.06459	2.4
133.10133	44.6
135.08070	9.7
135.11693	22.2
137.09619	4.5
137.13222	1.5
139.11151	5.2
141.06967	6.4
142.07782	2.8
143.08560	19.5
144.09346	1.8
145.06458	2.9
145.10123	44.1
145.11282	2.3
147.08047	7.0
147.11687	38.7
148.26694	1.2
149.09624	27.1
149.13260	9.6
151.11221	2.0
153.09100	3.0
153.12769	3.9
155.08557	10.3
157.10141	22.5
159.08090	1.8
159.11690	29.1
161.09598	4.1
161.13260	28.7
163.11189	29.9
163.14804	4.1
165.06982	2.2
165.12767	4.3
165.27654	1.4
167.08553	3.5
167.10693	1.7
169.10168	12.9
171.10246	2.5
171.11671	23.7
173.09618	2.5
173.11807	3.3
173.13226	19.0
174.92616	1.3
175.11188	5.2
175.14793	13.0
177.12762	7.0
179.08553	1.9
181.10121	4.6
181.12271	3.0
183.11699	11.8
185.11726	3.0
185.13263	12.3
187.11214	4.9
187.14810	9.7
189.11224	12.2
189.12756	3.9
191.10614	1.8
191.14330	2.5
193.12419	1.8
195.11681	5.9
197.13152	7.0
199.14813	11.7
201.16399	3.6
203.14412	3.9
205.12199	5.6
207.11780	2.5
207.13777	2.5
209.13297	4.7
211.14790	4.1
213.12868	1.6
213.16367	4.4
215.17862	3.4
217.15892	2.0
217.19589	2.1
221.13376	3.2
223.13255	49.7
225.16449	2.9
227.12756	4.8
229.14325	4.9
229.19478	3.9
231.17419	3.0
231.21056	5.6
237.16472	2.6
239.17996	4.4
241.19482	27.1
245.19115	2.0
251.18047	1.7
253.19461	2.6
257.19070	9.5
259.20581	53.6
271.20679	2.5
273.18512	4.9
273.21985	3.3
275.20084	48.9
277.21667	6.4
283.20648	1.8
291.19565	3.1
293.21112	38.6
297.22348	2.7
311.23618	2.5
315.23212	8.5
327.23337	1.8
327.26794	1.4
331.22656	1.7
333.24271	63.2
334.24557	1.5
335.25824	4.0
345.24109	2.3
349.23764	10.0
351.25351	2.1
353.24673	1.8
367.24768	41.9
397.31055	1.8
405.31390	3.2
415.07703	1.6
423.32605	7.8
441.33817	2.8
443.31342	1.9
471.34305	2.0
497.36273	10.9
499.34393	9.2
513.35547	3.4
515.37964	6.4
517.35187	12.9
529.35126	5.6
533.39807	4.9
541.35223	2.0
543.36658	5.1
551.41028	4.0
555.36298	1.6
589.41681	1.6
607.34369	1.9
607.43567	19.3
625.44598	100.0
626.45081	3.5
643.45709	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	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
55.01878	10.2
55.05516	59.1
57.03446	14.7
57.07077	3.3
59.04996	1.4
65.03942	5.2
65.63825	1.4
67.05509	79.7
69.03439	3.7
69.07072	30.2
70.98444	2.4
71.04996	5.6
75.04473	5.6
75.43240	1.3
77.03910	2.6
79.05496	74.5
81.03436	5.8
81.07059	83.7
82.31428	1.4
83.04987	11.8
83.08626	41.4
85.06551	8.5
86.84745	1.4
89.06019	4.2
90.03982	1.1
91.05486	100.0
93.07051	90.1
95.04973	20.6
95.08613	59.8
97.06532	13.6
97.10168	5.9
99.08063	6.3
101.06006	2.8
103.05495	2.8
103.64338	1.4
105.04523	4.2
105.07039	96.3
107.04966	15.9
107.08602	55.6
109.06524	7.8
109.10165	29.4
111.08086	13.6
113.09665	2.1
115.05456	3.4
116.06214	2.2
117.07018	33.0
119.08590	81.5
121.06508	9.5
121.10147	37.2
123.04437	1.5
123.08079	11.4
123.11720	6.2
125.09625	7.5
127.07570	2.0
128.06238	2.9
129.05513	2.6
129.07018	17.9
130.07780	2.4
131.07597	2.4
131.08575	45.5
131.09544	2.7
133.06464	1.9
133.10139	66.2
135.08080	9.9
135.11708	25.2
137.09612	6.2
137.13298	1.8
139.11169	3.9
141.07030	3.8
142.07822	2.8
143.08580	16.0
144.09309	1.6
145.10133	45.2
147.08069	4.4
147.11702	54.5
149.09628	33.2
149.13266	14.2
151.11191	7.6
153.06934	1.6
155.08548	5.9
156.09285	1.6
157.10135	19.5
159.08072	1.7
159.11705	33.0
159.38510	1.4
161.09642	4.7
161.13275	39.3
163.11188	32.2
163.14809	5.6
165.12808	5.3
167.08583	2.9
169.10168	6.8
171.11676	18.6
173.09720	2.8
173.13284	28.4
175.11218	8.8
175.14836	18.3
177.12778	5.2
179.14366	2.8
181.10069	2.1
183.11684	8.2
185.09610	1.5
185.11676	3.2
185.13284	14.2
187.11224	2.6
187.14816	6.6
189.12798	6.0
189.16368	1.9
191.10747	1.6
195.11842	1.7
197.13281	5.3
199.14899	8.3
201.12715	2.0
203.14272	2.5
205.15901	7.2
211.14958	3.2
213.16385	5.2
215.18042	3.9
217.19627	3.2
223.13264	3.7
229.19571	3.6
231.17458	1.9
231.21112	6.2
237.18521	7.1
239.17990	12.5
241.19518	36.2
243.21162	1.8
245.19054	1.9
247.20526	3.1
255.17551	3.5
257.19034	20.7
259.20587	64.7
261.22202	3.0
273.18439	7.0
275.20081	82.9
275.31689	1.5
276.20605	3.1
277.21756	10.2
289.21609	1.5
291.19458	8.2
293.21127	9.2
315.23203	9.0
331.22791	2.6
333.24249	70.4
334.24536	1.7
335.25891	6.3
349.23752	29.1
351.25208	6.2
365.23355	5.1
367.24707	20.6
423.32620	1.6
481.32510	2.1
497.36319	2.1
499.33960	1.8
515.37659	4.0
533.40015	4.0
551.40900	4.1
607.43805	16.9
625.44641	32.7
643.45654	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	643.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03946	5.6
55.01876	10.7
55.05515	30.8
57.03444	7.0
57.07070	2.0
59.05009	1.3
65.03934	4.3
67.05509	57.8
69.03425	3.4
69.07072	20.5
69.07428	0.6
69.94571	1.9
69.94962	2.2
71.04992	4.2
77.03922	1.5
77.98978	0.8
79.05499	59.5
81.03420	8.2
81.07062	100.0
83.04987	17.3
83.08627	14.9
85.02917	4.8
85.06538	2.9
89.06025	1.3
91.05484	37.1
93.07048	52.4
94.04184	1.4
95.04971	18.5
95.08611	35.8
97.06542	8.1
97.10177	14.9
99.04459	4.1
99.08063	1.9
103.05492	1.1
105.04550	2.8
105.07042	23.7
107.04961	5.4
107.08601	32.4
109.06535	7.7
109.10162	17.2
111.04441	19.5
111.08086	8.8
115.05454	1.5
117.07024	12.5
119.08583	25.6
121.06503	7.3
121.10157	21.7
123.04453	1.4
123.08070	27.8
123.11701	3.6
125.05975	2.6
125.09635	16.4
128.06290	1.2
129.07022	4.3
131.08580	17.8
133.06480	1.5
133.10149	12.2
135.08110	5.3
135.11708	17.1
137.09622	4.1
139.11218	1.1
141.06979	1.5
143.08560	6.6
145.06522	1.0
145.10118	17.5
147.08061	7.5
147.11681	8.2
149.09679	4.9
149.13277	4.9
151.11258	1.2
152.23128	1.0
153.09129	3.9
153.12753	8.9
155.08601	2.6
157.10118	4.3
159.08076	1.8
159.11716	7.2
161.09665	3.6
161.13300	3.5
163.11179	19.7
163.12553	1.3
163.14857	1.7
165.09142	4.3
165.12791	1.5
169.10138	1.9
171.10190	2.9
171.11700	4.3
173.09650	3.9
173.13240	4.9
175.11203	2.1
175.14845	1.8
177.12776	2.1
181.10146	0.8
181.10677	1.2
181.12241	11.4
183.11734	1.2
185.13281	3.0
187.11183	1.1
187.14821	2.8
189.11212	16.8
189.12733	1.5
191.10635	7.8
193.12302	3.9
195.11754	1.3
195.13982	0.9
201.16393	1.6
207.13760	1.3
209.11739	2.5
213.16600	1.2
221.15486	0.9
223.13290	8.4
223.14873	0.9
227.12772	17.9
243.21013	1.2
245.19089	2.3
255.17491	2.6
259.20621	1.9
261.22186	6.9
263.20129	2.0
273.18515	26.5
275.20099	1.3
277.21976	1.4
283.15369	5.0
286.55630	1.0
291.19562	65.9
293.21320	1.8
309.20679	3.9
309.48938	1.0
317.24768	2.3
333.24417	2.2
335.25842	40.1
347.22208	3.4
365.23257	23.5
505.35291	1.3
515.38843	1.1
533.39636	2.1
551.40820	1.2
573.00299	1.1
607.43634	2.4
611.31940	1.0
622.41931	1.0
625.44598	26.7
643.45660	34.2
644.45660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	1.1
51.02371	1.2
52.15228	0.9
53.03949	7.5
55.01870	10.9
55.05514	30.1
57.03441	8.7
57.07080	2.2
59.05003	1.2
65.03944	5.3
67.05508	68.7
69.03428	3.5
69.07071	19.8
71.04990	4.0
71.38698	2.0
75.04488	1.4
76.55746	1.0
77.03922	1.5
79.05495	58.1
81.03419	8.2
81.07059	100.0
83.04990	16.8
83.08624	16.5
85.02899	6.1
85.06534	3.7
89.90466	0.9
91.05485	40.1
92.48450	1.0
93.07044	58.3
94.04185	0.9
95.04971	20.5
95.08610	39.0
95.34399	0.9
97.06538	7.9
97.10168	15.4
99.04460	3.9
99.08102	1.7
105.04462	1.1
105.07037	25.8
107.04952	6.9
107.08598	32.4
109.02930	1.1
109.06541	7.6
109.10164	18.4
111.04444	19.6
111.08086	8.5
115.05447	2.0
117.07026	14.2
119.08585	24.8
121.06528	7.7
121.10139	23.5
123.04436	1.1
123.08076	28.5
123.11710	3.7
125.05991	1.1
125.09647	14.8
128.06204	1.4
129.07008	4.8
131.08559	16.5
133.06517	2.6
133.10141	13.1
135.08093	4.6
135.11697	17.0
137.09618	4.9
137.13286	1.4
139.11200	2.3
141.07030	1.3
143.08571	5.3
145.10139	17.2
147.08043	8.0
147.11707	9.0
149.09634	6.9
149.13297	4.7
153.09100	2.4
153.12746	10.8
155.08578	2.2
157.10132	4.1
159.11713	7.2
161.09637	3.4
161.13240	5.5
163.11189	15.0
163.14851	1.2
165.09140	4.6
169.10170	1.3
171.10182	3.8
171.11716	4.0
173.09669	3.2
173.11916	1.2
173.13298	4.3
175.11179	3.8
175.14839	1.2
177.09198	1.2
177.12743	1.8
177.16418	1.2
181.10155	1.3
181.10646	1.4
181.12236	12.0
183.11673	2.0
185.13220	3.0
187.11186	1.2
187.14799	1.8
189.11252	17.7
189.12788	1.5
191.10678	10.1
193.12289	2.7
195.11797	1.4
197.13258	0.9
199.14828	1.9
201.16476	1.4
203.14293	1.2
209.11749	3.3
223.13228	7.7
227.12776	17.6
227.17825	1.2
237.14616	1.1
243.21117	2.1
245.19174	2.0
255.17426	2.8
259.20639	1.5
261.22171	6.9
263.20200	1.6
273.18524	27.6
275.20026	2.1
283.15387	5.0
291.19547	66.2
292.19794	1.5
309.20587	4.2
317.24677	1.5
333.24109	1.4
335.25812	57.9
347.22122	3.8
365.23254	24.6
505.34821	1.8
515.38672	1.6
551.40759	1.2
561.37598	2.2
607.43384	2.4
615.13098	1.2
625.44629	33.0
643.45721	31.0
656.36218	1.5
663.25189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.6
55.01669	1.0
55.01880	11.6
55.05517	31.6
57.03445	8.9
57.07076	2.7
60.11773	0.9
61.71357	1.0
65.03936	4.1
67.05511	67.6
68.05823	1.3
69.03422	4.1
69.07077	20.7
70.64587	1.4
70.64964	2.2
71.04994	4.8
73.82024	1.0
77.03931	1.7
78.84604	1.1
79.05502	62.7
81.03425	7.1
81.07066	100.0
82.07383	1.4
83.04993	16.3
83.08625	16.8
85.02892	4.3
85.06557	4.2
91.05490	50.7
92.05791	1.7
93.07053	58.3
95.04988	19.6
95.08617	45.3
97.06544	7.9
97.10175	13.6
99.04447	2.2
99.08097	4.5
103.05473	1.0
105.04523	1.8
105.07041	41.4
106.07358	1.5
107.04971	7.0
107.08607	33.7
109.06515	9.6
109.10174	16.8
111.04462	11.3
111.08100	9.2
115.05466	2.1
117.07021	15.5
117.40366	0.9
119.08598	34.8
120.08865	0.9
120.80952	1.0
121.06527	6.7
121.10152	25.3
123.08078	18.5
123.11707	5.3
124.87661	1.0
125.05990	1.5
125.09646	10.2
127.03873	0.9
127.07513	1.1
128.06203	2.9
129.07004	6.6
131.08578	22.8
133.06512	2.5
133.10143	22.3
134.10492	1.3
135.08072	5.9
135.11700	17.5
135.54994	1.0
137.09599	5.5
139.11215	1.9
141.06964	1.5
142.07860	1.7
143.08589	7.9
145.10133	24.1
147.08070	5.7
147.11696	18.4
149.09645	5.8
149.13293	7.0
151.11230	2.2
153.09106	2.2
153.12741	6.5
155.08578	2.7
156.09433	1.2
157.10143	7.7
159.08038	1.8
159.11707	13.3
161.09665	5.2
161.13295	9.8
163.11191	15.1
163.14836	2.7
165.09148	2.7
165.12766	1.6
167.08643	1.4
169.10143	3.4
171.10281	1.8
171.11691	5.8
173.09705	3.1
173.13287	7.6
175.11212	3.6
175.14816	3.9
177.12790	2.5
179.14395	1.9
181.10194	1.6
181.12251	8.2
183.11703	3.1
185.09662	1.2
185.13275	3.9
187.11226	2.4
187.14841	2.9
189.11229	11.6
189.12746	1.6
189.16418	1.5
191.10680	7.8
193.12350	2.1
195.11725	1.2
197.13297	2.4
199.14902	2.4
201.12708	1.1
201.16353	2.3
203.14415	1.9
205.12209	1.1
207.13826	1.4
209.11671	1.7
209.13489	1.2
213.12892	1.2
213.16466	1.3
216.62590	0.9
217.15855	1.6
217.19669	1.1
223.13275	6.8
223.14992	0.9
227.12810	12.4
227.17894	1.9
239.18010	1.4
241.19577	6.5
243.21181	2.3
245.19019	1.2
247.20425	1.1
255.17459	2.0
257.19000	3.1
259.20679	10.7
261.22202	5.7
263.20151	2.0
273.18524	21.0
274.41855	1.2
275.20145	15.1
276.20505	3.1
276.93405	0.9
277.21341	3.7
283.15494	4.3
291.19586	48.3
293.21198	2.6
309.20645	2.3
315.23203	1.9
317.24948	1.3
333.24289	15.2
335.25815	43.8
347.22092	3.5
349.23801	5.2
351.25290	3.0
365.23294	21.3
365.27792	0.9
367.24847	5.5
505.35339	1.3
515.38336	2.4
517.37756	1.3
527.37317	2.6
533.39697	2.0
543.36395	1.5
545.38037	1.9
551.41058	2.4
561.37762	2.3
607.43567	7.9
625.34576	1.8
625.44586	31.9
626.45276	1.3
643.45721	25.9
644.45422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.9
53.03947	6.3
55.01870	15.0
55.05513	34.1
57.03440	8.1
57.07079	2.1
59.05015	1.6
59.74329	1.0
65.03947	5.8
67.05508	69.8
69.03423	3.0
69.06730	1.7
69.07071	21.3
69.93160	3.9
71.04995	4.4
71.08617	1.1
72.61743	1.1
77.03915	1.3
79.05495	63.8
81.03415	7.4
81.07059	100.0
82.07375	1.1
83.04987	15.8
83.08622	16.9
85.02907	4.1
85.06538	3.2
91.05483	47.0
93.03477	1.0
93.07047	60.7
95.04974	17.5
95.08612	41.3
97.06544	11.2
97.10166	14.0
99.04462	3.2
99.08092	2.9
103.05473	1.2
105.04548	2.3
105.07030	35.5
107.04953	5.9
107.08598	38.1
109.06532	9.2
109.09464	1.9
109.10161	21.3
111.04436	15.4
111.08085	9.2
115.05409	2.2
117.07023	17.4
119.08584	33.2
121.06503	8.5
121.10150	30.2
123.08064	22.8
123.11721	4.6
125.05998	1.8
125.09630	12.2
128.06198	2.0
129.07011	7.9
131.08574	22.3
133.06514	2.2
133.10127	15.9
135.08073	5.5
135.11696	17.2
137.09581	6.4
139.11192	1.3
141.06964	2.6
142.07813	1.5
143.08551	9.8
143.10657	1.5
145.10127	21.5
147.07999	9.3
147.11696	12.1
149.09618	6.6
149.13287	5.5
151.11183	1.7
153.07002	1.2
153.09111	3.4
153.12726	7.9
155.08540	3.7
156.09406	1.4
157.10129	7.2
159.08095	2.8
159.11694	12.6
161.09618	6.3
161.13239	8.2
163.11171	18.4
163.14828	1.8
165.09123	4.6
167.08563	1.4
168.09309	1.2
169.10210	2.9
169.12178	1.4
171.10175	3.6
171.11714	7.1
173.09631	2.5
173.13295	4.8
175.11221	3.5
175.14845	2.9
177.12772	2.8
181.10185	3.5
181.12231	9.4
183.11739	3.6
185.13235	4.9
187.14825	3.7
189.11246	16.8
189.12773	1.3
191.10661	10.6
191.14378	1.7
193.12234	3.6
195.11728	3.5
195.13513	0.9
197.13239	1.7
199.13185	1.0
199.14839	3.2
203.14310	1.5
207.11845	1.0
207.13803	1.3
209.11626	1.7
209.13391	2.0
211.14818	1.9
213.16376	1.2
217.16165	1.2
221.13248	1.1
223.13223	8.7
223.14870	1.0
227.12749	14.7
227.17908	2.5
229.19579	1.2
237.16473	2.2
241.19548	3.9
243.21123	1.7
245.19092	2.2
247.20610	1.6
249.14926	1.1
255.17436	3.3
259.20593	6.8
261.22189	6.2
263.20197	4.5
269.17493	1.2
273.15494	1.4
273.18506	25.4
275.20126	6.4
283.15366	5.3
289.21768	1.3
291.19550	56.9
292.20044	1.2
293.20990	1.6
309.17484	1.1
309.20734	3.4
316.74335	1.0
317.24670	1.7
333.24176	5.1
335.25827	40.2
347.22177	3.6
349.23853	1.5
350.23849	1.2
365.23236	25.4
367.24536	1.9
515.38013	3.3
527.37158	1.5
533.39655	3.4
551.40802	3.4
607.43567	13.7
625.44641	32.8
643.46075	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
57.07078	30.2
59.05016	0.7
67.05503	1.4
69.07067	4.6
69.33896	2.2
69.34302	0.8
71.08633	30.1
73.06173	0.7
73.06555	9.1
75.04469	0.7
79.05490	0.9
81.07050	1.6
83.08623	5.1
85.10187	18.7
87.04475	6.8
89.06033	100.0
91.05461	0.6
91.07596	1.0
91.19250	0.5
93.07043	0.9
94.07316	0.4
95.08631	0.7
95.48171	0.3
97.10169	5.8
99.11729	2.7
105.07007	1.2
107.07086	2.1
109.10138	0.5
111.11718	4.1
113.13284	2.1
117.09140	7.3
125.13326	2.4
127.14836	1.6
130.08640	3.7
131.07033	1.6
133.08609	55.7
135.10155	0.9
139.14767	0.4
141.16415	1.3
145.10130	1.0
148.08548	0.4
153.16312	0.4
155.17949	1.1
161.11794	2.0
161.13103	0.5
165.12762	0.4
175.09668	1.2
177.11230	24.3
179.12804	0.5
195.12144	0.6
211.24211	2.3
219.12311	0.4
221.13826	6.1
223.15353	0.6
227.32939	0.4
239.14899	1.1
255.26901	2.3
265.16422	1.6
283.17453	1.8
299.29483	8.7
309.18951	1.1
322.33350	0.4
327.20016	1.3
343.32092	5.4
353.21783	0.7
371.22662	1.5
415.25397	5.6
449.38171	0.5
537.43225	1.0
581.45990	0.9
625.48956	9.0
642.51849	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	643.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05508	1.0
55.14882	0.5
56.05019	0.6
61.90086	0.6
67.05489	2.1
68.66196	0.7
69.07051	1.1
70.06593	3.0
70.62799	1.9
74.88339	0.6
77.03919	0.6
79.05496	1.3
79.69763	0.6
81.03406	0.8
81.07053	1.3
84.04498	1.5
84.08144	4.0
85.02867	0.6
85.07057	0.6
86.09694	1.7
91.05472	1.8
93.07060	1.2
94.06543	1.2
95.04955	2.2
95.08613	1.0
97.06540	0.9
103.05447	0.7
103.58155	0.6
104.05008	4.7
105.04507	0.8
105.07030	1.3
105.76271	0.6
106.06572	0.8
107.08576	0.8
109.10159	1.0
119.08582	0.8
120.08134	1.7
121.10108	1.1
122.06032	5.5
129.10251	1.3
130.64005	0.6
134.05997	1.9
145.10143	0.7
146.06046	4.2
152.07072	2.4
160.03969	1.5
162.05531	0.9
163.43228	0.6
168.08212	0.7
173.08307	0.8
174.09157	1.8
178.04999	28.0
180.06578	1.4
184.09911	1.3
185.08379	1.8
190.05127	0.7
197.08493	0.9
199.08694	0.7
200.10741	0.8
206.08340	1.9
207.09157	3.0
208.09854	1.2
209.10823	2.4
210.11565	1.0
211.08737	1.0
211.12318	1.3
212.09145	1.0
212.10902	1.5
213.10309	1.0
214.11014	1.5
220.09967	0.9
221.10756	2.5
222.09309	1.0
223.12415	1.9
225.10149	5.2
225.13939	0.8
226.10921	1.5
227.11800	2.5
229.09753	1.1
231.09270	0.7
233.10825	0.8
234.07938	2.1
235.08717	4.7
235.12292	1.5
236.09351	3.0
237.10225	8.2
238.11052	2.2
239.11824	7.7
240.10310	1.3
240.12555	1.4
241.09633	1.0
242.10388	3.4
248.09447	0.9
249.10237	10.8
250.10989	2.2
251.11823	9.1
252.12654	3.4
253.09903	1.5
253.13353	3.0
255.11366	3.3
256.09698	0.9
257.09329	2.4
257.12842	1.5
258.11270	1.8
263.08200	6.7
264.08954	1.1
265.09781	1.8
266.10522	2.0
267.11417	1.1
268.09787	3.9
277.09729	14.2
278.10577	1.8
279.11267	7.0
280.12073	15.9
281.09235	6.0
281.12827	4.0
283.10825	5.2
285.12381	14.4
287.10254	0.8
292.08469	1.2
295.10785	1.0
297.12317	5.4
298.13123	1.9
299.13815	4.2
301.11810	8.3
305.09189	10.2
305.92139	0.6
307.10840	3.2
309.08572	1.1
310.09546	3.3
311.10101	0.6
319.12674	1.2
323.10257	14.2
324.10886	1.8
325.11835	100.0
326.12253	1.6
333.08752	2.1
343.12881	6.6
351.09760	33.5
353.11493	0.8
369.10828	24.8
436.18439	0.9
446.17209	1.2
448.18631	2.0
456.15506	1.6
458.17410	1.0
561.21503	0.7
563.22772	1.8
579.22113	1.1
581.23859	11.1
589.20612	1.4
599.24878	4.6
607.21997	4.8
625.22949	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
51.89822	1.4
53.03943	6.7
55.01878	23.0
55.05518	50.9
57.03446	11.3
57.07074	4.1
65.03934	5.4
67.05513	84.3
69.03423	4.2
69.07072	45.8
71.04987	5.6
77.03929	2.5
79.05502	70.8
81.03432	8.9
81.07065	100.0
83.04993	14.0
83.08630	30.6
84.08153	3.7
85.02895	2.5
85.06541	6.0
91.05489	67.8
93.07054	64.1
95.04984	20.6
95.08620	57.0
97.06546	21.4
97.10172	18.3
99.04450	2.6
99.08112	4.3
103.05493	2.8
105.04523	1.9
105.07044	66.0
106.07323	1.8
107.04957	9.7
107.08601	42.1
109.06525	15.4
109.10165	26.4
111.04458	7.2
111.08093	8.4
113.06046	2.1
115.05491	4.5
117.07030	29.6
119.04947	2.4
119.08595	52.9
121.06527	8.0
121.10139	23.4
123.08081	15.4
123.11734	6.9
125.09647	18.1
128.06212	9.0
129.07014	27.7
130.07857	2.0
131.04987	1.6
131.08580	48.9
133.06509	4.6
133.10139	39.2
135.08055	9.0
135.11685	18.2
137.09657	5.0
137.13278	2.2
139.11285	2.5
141.07014	9.7
142.07832	5.8
143.08574	26.0
144.09335	2.0
145.06523	4.5
145.10132	47.0
147.08076	7.8
147.11702	22.8
149.09618	13.3
149.10660	1.9
149.13315	6.6
151.07556	2.0
151.11247	3.3
153.09122	3.8
153.12779	2.3
154.07727	1.6
155.08556	17.1
156.09351	3.4
157.10146	24.1
159.08109	5.7
159.11716	27.5
161.09648	6.0
161.13254	11.9
163.11220	13.5
165.07002	2.3
165.09113	3.2
165.12831	3.3
167.08618	6.6
169.10135	17.7
171.08083	2.4
171.10274	3.3
171.11685	22.0
173.09636	5.1
173.11780	4.5
173.13310	17.9
173.24524	1.6
175.11264	6.6
175.14859	6.7
177.12785	4.0
179.08633	4.8
179.14409	2.1
181.10179	10.6
181.12270	2.6
182.10881	2.1
183.11729	18.3
184.12297	1.7
185.09653	3.6
185.13300	17.7
187.11255	4.2
187.14856	7.9
189.11266	10.5
189.12726	3.3
189.16385	3.1
190.97293	1.8
191.10722	2.4
191.14340	3.3
193.10205	3.3
193.12305	6.2
194.11017	1.8
195.11716	11.0
197.09647	1.7
197.13252	12.7
199.11238	4.3
199.14864	9.1
201.12726	2.4
201.16432	3.7
204.09322	1.8
205.10350	2.1
205.12294	3.0
205.16016	1.6
207.11708	5.0
207.13655	1.7
209.13318	7.7
210.10498	1.9
211.11319	2.1
211.14851	8.4
213.16466	5.9
215.14430	2.2
215.18033	3.4
219.11870	2.3
219.13905	1.7
221.13371	7.5
221.15305	2.1
223.13057	3.1
223.14894	6.7
225.12776	1.8
225.16405	5.0
227.12614	10.8
227.18042	3.3
229.14304	3.4
230.23514	2.3
233.13293	2.7
235.14888	3.0
237.16425	5.7
239.18071	5.6
241.19484	8.0
247.20721	1.9
249.16531	1.9
251.14104	2.1
251.18011	2.6
255.17485	3.4
257.19049	12.9
259.20569	13.0
263.17929	2.5
265.19724	2.1
273.18652	10.2
275.20123	37.7
279.21146	1.9
283.15530	1.9
283.20547	2.7
285.22247	3.0
287.20117	2.4
289.18069	3.0
289.21503	1.8
291.19571	15.7
293.21210	5.3
295.20740	2.7
297.22293	3.2
299.23642	2.4
309.21954	2.5
313.21753	4.2
315.23270	4.4
321.22107	2.4
327.23352	3.4
331.22769	3.3
333.24332	12.8
347.22168	2.5
349.23764	13.0
363.27036	1.9
365.23312	7.9
367.25046	2.8
377.28506	3.1
379.30133	2.7
381.27911	2.4
393.27606	1.9
395.29617	6.7
397.31262	2.6
403.30618	1.9
407.29642	2.8
419.29556	1.8
421.31104	6.3
423.33115	1.7
439.32538	2.9
451.32156	3.5
453.33575	2.6
459.32901	2.2
469.32819	3.5
483.35654	1.7
489.36111	4.4
495.34900	5.4
499.34525	5.6
501.36011	4.2
507.36276	1.7
511.34399	3.2
513.36176	16.9
515.37781	8.1
525.35797	5.5
527.37585	5.5
529.35486	3.7
531.38409	9.7
543.36975	8.8
549.39502	8.8
554.36145	2.5
567.40723	8.8
569.38599	1.6
587.41638	2.6
595.43402	3.2
605.41895	16.4
623.35211	1.4
623.43097	83.9
641.44165	90.6
642.44342	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.7
53.00306	1.4
53.03749	0.7
53.03949	7.2
55.01874	11.0
55.05512	40.0
57.03440	6.3
57.07064	3.1
59.04994	1.6
63.10099	0.7
65.03941	5.9
67.05505	68.0
69.03419	4.5
69.07069	28.1
71.04996	7.1
71.52030	0.9
77.03901	1.8
79.05494	76.0
81.03426	6.9
81.07056	85.8
83.04987	8.6
83.08622	18.2
85.02895	1.4
85.06538	3.1
87.04483	0.8
91.05481	55.1
93.07045	73.0
95.04970	14.7
95.08611	43.2
97.02891	1.6
97.06535	10.2
97.10170	16.0
99.00815	2.8
99.04463	1.1
99.08096	2.6
103.05459	2.9
105.04523	2.5
105.07034	41.1
107.04961	12.5
107.08599	38.1
107.09172	0.5
109.02887	3.8
109.06512	15.0
109.10160	18.4
111.04449	4.0
111.08082	4.4
113.09657	0.7
115.05470	2.5
117.07016	20.5
119.04939	1.2
119.08582	30.3
121.02850	1.1
121.06509	8.5
121.10146	23.1
123.04432	3.2
123.08067	5.0
123.11719	4.7
125.06006	1.0
125.09629	12.6
128.06192	2.3
129.06984	7.7
130.07762	1.6
131.04955	0.9
131.08571	22.3
133.06482	3.1
133.10127	25.8
135.04469	0.8
135.08060	15.4
135.11696	14.1
137.06042	1.4
137.09605	6.3
139.07578	1.6
139.11172	1.6
139.40016	0.7
141.06985	1.9
141.79796	0.7
142.07791	2.1
143.08577	8.8
145.06483	4.9
145.10136	17.8
147.08031	4.7
147.11697	9.2
149.05997	0.8
149.09633	5.0
149.13268	5.6
151.07655	0.7
151.11234	3.6
153.06987	1.4
153.09132	2.9
153.12704	1.4
155.08554	5.5
156.09453	0.9
157.06512	1.4
157.10141	8.1
159.08089	6.1
159.11702	11.7
161.09619	7.3
161.13248	5.9
163.07542	7.9
163.11188	4.7
163.14810	2.3
165.09105	1.2
165.12726	1.6
167.08554	2.0
168.09335	0.8
169.10138	6.5
171.08063	2.2
171.10263	1.5
171.11713	7.2
173.09579	4.5
173.11891	1.4
173.13226	7.7
175.11235	3.2
175.14835	2.5
177.09126	1.6
177.12688	1.5
179.08508	1.2
179.10725	3.4
179.79771	0.7
181.10143	2.3
181.12234	1.2
183.11658	5.8
185.09715	1.9
185.13248	4.0
187.11230	2.7
187.13365	0.9
187.14722	3.8
189.09186	3.3
189.11237	7.7
189.12721	1.3
189.16397	1.5
191.10728	2.6
193.10339	1.1
193.12260	10.8
195.11745	1.8
197.13229	2.5
199.11281	1.8
199.14865	2.9
201.12839	1.7
201.16354	1.8
205.15811	1.1
207.11829	0.9
208.17009	1.5
209.13304	1.6
209.17302	1.3
211.14934	1.5
213.12814	0.8
213.16487	0.9
215.17981	0.9
221.13412	0.8
223.14955	1.0
225.11237	2.1
225.16409	1.8
227.12671	6.7
227.14537	0.7
227.18097	1.0
229.19403	1.4
233.15315	1.0
235.14905	0.9
237.16333	0.8
239.17990	1.5
241.19501	1.0
243.17537	3.7
243.21115	2.0
245.19112	0.9
253.15871	1.4
257.18951	3.6
259.20627	2.3
261.16217	1.0
261.18811	4.8
261.22141	8.5
271.17020	6.4
271.20059	1.2
273.18503	1.7
275.20099	11.1
285.22250	1.0
287.20200	0.8
287.23596	0.9
289.17978	25.9
289.21317	1.4
291.19574	2.9
299.23721	1.0
307.18951	5.3
307.22302	1.0
317.24753	2.0
327.23450	0.8
333.24377	1.9
335.25787	10.7
345.20636	1.1
349.23898	3.6
363.21683	10.6
363.25986	0.9
365.23328	2.0
379.29987	1.3
381.22842	1.7
387.25360	1.0
397.31134	4.0
421.31219	1.0
499.34415	1.5
513.36383	2.1
515.37323	0.9
525.36188	1.1
527.36884	1.2
529.34985	0.8
531.38007	2.2
543.36865	3.5
549.39819	3.4
567.40271	3.6
571.35968	1.5
572.37415	0.9
581.46429	0.8
597.68860	0.8
605.42053	3.2
609.45251	3.7
623.43109	28.7
641.44086	100.0
642.44800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01874	1.0
55.05518	4.9
56.05029	1.1
57.03454	3.5
60.04530	0.6
60.08156	1.6
61.02937	3.5
64.18364	0.5
65.03944	0.7
67.05194	0.9
67.05515	12.1
69.03417	1.3
69.07074	3.7
70.06601	6.6
71.04980	1.1
71.07362	0.8
71.52335	1.2
72.08150	2.4
73.02908	1.7
78.47579	0.5
79.05500	17.0
81.03422	2.8
81.07066	11.8
83.04990	4.3
83.06103	0.6
83.08614	2.2
84.04495	2.1
84.08152	6.7
85.02901	4.6
85.06552	1.1
86.09711	12.1
91.03967	3.4
91.05489	12.3
93.07049	17.6
95.04977	4.7
95.08614	6.7
97.02887	3.1
97.06533	1.8
97.10159	1.3
100.11253	2.2
101.11610	0.7
102.05555	1.1
103.03883	0.6
104.10756	12.3
105.07033	9.5
107.04974	1.5
107.08610	4.4
109.02898	0.8
109.06500	1.4
109.10152	2.0
110.07175	1.1
111.04480	1.0
117.07021	2.3
119.08570	6.4
120.08098	1.7
121.06487	0.9
121.10165	2.3
123.08082	1.8
123.11684	1.5
125.00053	3.0
127.03905	2.0
129.07034	4.2
129.10213	3.3
131.08582	0.7
133.10172	2.9
135.11740	0.8
136.15665	0.6
139.57024	0.6
143.08565	2.5
145.04996	1.6
145.10190	3.4
147.04436	0.9
147.08054	0.7
147.11705	11.3
151.03847	0.7
161.09607	1.9
161.13263	4.2
163.06000	1.8
163.11160	0.7
171.11726	7.8
182.15468	1.4
184.07349	12.4
189.12753	3.0
207.13847	5.0
210.14998	1.6
215.36655	0.5
228.27158	0.6
281.17499	100.0
282.17868	0.7
321.24261	0.9
339.25336	0.6
361.20331	0.9
443.22733	3.3
568.32330	1.7
596.32007	2.0
630.94122	0.6
640.31824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.8
53.04169	1.4
55.01876	23.9
55.05519	50.3
57.03441	13.6
57.07074	4.1
65.03941	4.9
67.05512	88.7
69.03434	3.3
69.07076	47.9
71.05012	6.8
71.08623	1.9
77.03914	2.0
79.05501	77.7
81.03437	7.0
81.07066	100.0
83.04996	14.8
83.08633	29.4
85.02924	2.2
85.06551	6.5
91.05490	70.1
93.03374	1.5
93.07053	63.6
95.04977	22.6
95.08616	49.4
97.02899	1.9
97.06537	20.1
97.10180	18.7
98.21548	3.0
99.04495	3.9
99.08099	3.9
103.05464	2.9
104.32005	1.3
105.04554	3.6
105.07040	63.8
107.04985	11.9
107.08607	38.3
109.06525	20.5
109.10159	36.4
111.04444	7.8
111.08095	9.6
115.05457	4.2
116.06246	2.0
117.07025	33.0
119.04982	1.5
119.08589	50.4
121.06525	8.8
121.10161	27.3
123.08080	12.0
123.11726	6.6
125.09637	18.9
128.06239	7.3
129.07016	22.1
130.07809	2.5
131.08582	46.0
133.06494	3.7
133.10150	34.1
135.08060	7.6
135.11703	15.0
137.09621	4.9
137.13290	1.7
139.07544	1.6
139.11226	3.8
141.07005	9.7
142.07799	7.9
143.08575	29.5
145.06483	5.2
145.10141	41.8
145.11305	2.0
147.08107	7.7
147.11710	23.5
149.09627	9.7
149.13295	5.6
151.11206	3.1
153.09134	3.3
153.12747	3.5
154.07770	3.2
155.08575	18.1
155.10628	1.7
156.09369	2.4
157.06584	2.3
157.10150	29.1
157.12337	1.4
159.08138	3.8
159.11705	27.8
161.09651	5.6
161.13290	11.5
163.11198	16.4
163.14784	2.2
165.07048	3.1
165.09073	2.2
165.12749	2.2
167.08580	8.8
168.09363	2.6
169.10144	20.2
171.08051	2.5
171.10272	3.4
171.11699	24.7
172.32742	1.4
173.09654	5.8
173.11874	2.5
173.13231	16.8
175.11237	5.7
175.14879	6.3
177.12816	3.1
177.25261	1.6
179.08664	3.8
180.09265	1.5
181.10121	12.3
181.12274	3.8
183.11711	19.1
185.09698	4.0
185.13306	18.1
187.11230	5.9
187.14832	9.0
189.11272	10.5
189.12753	2.9
191.10675	4.2
191.14325	1.9
193.10210	5.6
193.12273	6.9
193.97133	1.4
195.11719	11.8
197.09694	3.3
197.13248	13.5
199.11209	3.5
199.14844	9.5
201.12743	2.8
201.16518	4.8
203.14331	2.1
205.10283	2.1
205.12253	2.7
207.11778	6.0
207.13742	2.3
209.11627	2.1
209.13332	10.7
211.11183	3.3
211.14891	7.9
213.12889	2.6
213.16460	6.2
215.14479	2.7
215.18077	3.0
219.11824	1.8
221.13290	5.1
223.11475	1.6
223.13293	4.8
223.14941	6.3
223.16789	1.4
225.12852	1.7
225.16466	4.7
227.12688	12.0
227.17990	3.4
229.14355	6.3
229.19536	2.3
231.17502	2.6
233.13217	2.1
235.14915	3.5
235.17036	1.5
237.16411	6.0
239.18092	3.5
241.19606	6.3
245.19130	2.4
247.20750	1.5
251.18024	2.8
253.19864	2.5
255.17465	2.4
255.21262	1.9
257.19125	8.2
259.20599	15.8
263.17978	1.9
265.19644	1.7
271.16980	2.8
271.20425	1.6
273.18692	7.3
275.20120	23.4
283.20612	2.6
285.22229	4.2
289.18188	4.2
291.19540	17.9
293.21017	3.7
295.20712	1.7
297.22241	2.2
299.20288	1.8
299.23679	3.2
307.20309	1.5
311.23715	2.3
313.21698	3.7
315.23199	5.7
321.22180	2.1
323.23721	2.0
325.21490	2.3
327.23218	2.7
331.22830	4.6
333.24414	11.1
339.23276	3.3
347.22357	2.8
349.23871	12.8
363.21979	2.0
363.26761	2.3
365.23465	5.8
377.28625	3.4
379.30225	2.6
395.29556	9.8
397.31290	3.0
403.29782	2.4
407.29718	2.0
409.31210	1.7
421.31085	3.7
433.30875	3.1
435.33002	2.6
437.30740	2.1
451.32169	3.8
453.34000	2.3
454.24982	1.6
469.33270	4.2
471.35040	2.3
473.33188	1.9
477.33917	2.0
481.33475	2.0
487.34525	2.0
489.35760	3.5
495.34900	5.4
497.36707	2.2
499.34128	6.4
501.35834	3.3
511.34323	2.6
513.36090	19.8
515.38068	8.9
517.35242	2.9
525.35931	5.3
527.37469	4.2
529.35535	2.1
531.38318	9.5
541.35376	1.9
543.36652	6.7
549.39667	11.3
554.36206	1.7
567.40948	6.5
569.39056	1.8
595.43756	2.4
605.41937	20.8
613.44934	1.8
623.43091	91.0
624.44037	2.3
641.44189	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30657	0.6
72.50427	0.3
78.11900	0.2
87.32483	0.3
92.33526	0.3
95.40860	0.3
119.03560	0.7
120.07881	0.3
134.80666	0.3
135.04399	0.3
136.06194	100.0
137.04562	0.3
163.03886	1.6
195.21785	0.3
268.10416	29.3
443.73145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.2
53.03941	5.6
53.60229	1.3
55.01875	12.1
55.05516	48.2
57.03434	6.4
57.07065	3.4
59.05005	1.4
61.34008	1.0
62.02622	0.9
65.03938	4.7
66.19363	1.0
67.05510	50.8
68.77660	1.1
69.07069	31.6
71.53194	1.2
77.99181	1.1
79.05500	57.9
81.03419	4.9
81.07063	81.6
83.04988	7.9
83.08618	22.3
85.06563	2.6
91.05486	45.7
91.31960	1.1
93.07053	40.0
93.07643	1.9
95.04980	11.0
95.08615	30.9
97.02907	1.9
97.06529	8.8
97.10175	24.9
99.08120	2.6
103.05466	2.5
105.04483	2.2
105.07041	40.3
105.93320	1.0
107.04958	8.3
107.08612	27.0
109.02896	2.7
109.06526	22.4
109.10162	17.1
111.04495	1.9
111.08074	5.1
113.06039	1.2
115.05483	3.7
117.07026	25.5
119.04936	1.4
119.08591	29.9
121.06503	5.5
121.10143	10.7
123.04429	2.0
123.08064	5.9
123.11717	3.2
125.09637	20.5
128.06244	6.5
129.07021	19.6
130.07813	1.5
131.08588	26.2
133.06497	5.8
133.10139	19.4
134.36964	1.0
135.08041	8.4
135.11708	6.8
137.09644	3.3
141.07005	7.6
142.07794	3.9
143.08575	18.8
145.06528	6.0
145.10138	20.5
145.11284	1.2
147.08098	5.4
147.11678	9.9
149.09618	4.7
149.13278	2.5
151.11206	1.1
153.07053	2.4
153.09123	2.2
154.07787	3.2
155.08583	15.2
156.09355	3.0
157.06516	3.6
157.10130	17.0
159.08112	5.8
159.11702	15.0
161.09641	6.5
161.13322	5.4
161.14519	1.1
163.07532	2.3
163.11198	3.9
163.14775	2.0
165.07083	3.2
165.09198	1.5
167.08556	10.6
168.09392	2.8
169.10129	15.1
170.10901	1.2
171.08058	3.8
171.10188	2.8
171.11674	15.2
173.09700	4.3
173.13219	7.3
175.11197	2.4
175.14836	2.2
177.12814	2.1
178.07710	1.6
179.08575	4.9
179.10735	1.4
180.09343	1.8
181.10143	11.4
182.10832	1.9
183.08157	2.3
183.10240	1.7
183.11707	14.0
185.09692	4.3
185.13196	9.6
187.11205	5.2
187.14873	2.4
189.11261	12.0
189.12758	2.5
193.10185	4.4
193.12206	6.0
194.10896	2.1
195.08150	1.8
195.11676	10.0
196.12527	1.9
197.09563	2.2
197.13306	9.4
198.91318	1.2
199.11241	4.0
199.14825	5.3
201.12779	3.0
201.16405	2.1
207.11757	5.7
208.12540	1.6
209.13245	9.6
211.11220	2.6
211.14891	4.6
213.12804	3.4
213.16408	3.7
215.14436	1.7
217.10291	1.5
219.11768	3.4
219.13837	1.7
221.13321	4.6
223.11258	2.0
223.14893	7.2
225.12866	2.8
225.16454	4.0
227.12689	11.6
227.14232	1.3
231.11778	1.5
233.13315	2.0
233.15530	1.2
234.13898	1.3
235.14891	4.3
237.12927	1.7
237.16399	3.0
239.17967	2.7
241.19496	2.8
245.13625	2.6
247.14857	1.8
249.16573	2.2
251.14299	1.6
251.18164	2.3
253.15880	1.4
255.17444	1.8
257.19080	4.1
259.20547	7.0
263.17981	1.4
265.19574	1.7
267.17450	1.8
269.19104	1.5
271.17047	3.6
271.20502	1.3
273.18671	7.9
275.20102	4.5
277.19373	1.8
279.20963	1.8
283.20425	2.0
285.18634	2.3
285.22073	2.2
289.17963	6.7
291.19672	4.0
293.18942	2.5
297.18713	1.8
297.22244	1.9
297.47037	1.4
299.23700	1.6
307.19180	2.1
311.20108	3.3
313.21741	1.9
315.23361	2.6
321.22098	1.4
325.21677	2.6
329.21304	1.5
331.23151	1.9
333.24515	2.6
339.23157	1.4
347.22491	1.8
349.24112	2.1
363.21902	5.9
365.24991	1.7
377.28528	5.1
379.26401	2.2
385.23822	1.7
393.27869	2.2
395.29388	7.5
419.29663	3.1
431.29819	2.2
433.31534	1.8
435.29230	1.4
437.30661	2.6
445.30338	1.2
447.29065	1.2
449.30701	1.6
451.32224	3.5
465.29730	1.8
497.32907	3.2
501.37219	2.3
511.34357	6.1
513.36407	6.2
515.33661	2.4
523.34753	2.5
525.35724	3.0
529.36749	8.4
539.33752	4.4
541.35358	6.7
547.37860	9.2
552.34503	2.0
557.34497	2.4
565.39246	8.9
567.37213	1.4
567.61694	1.3
569.34863	3.3
570.35437	7.6
583.40100	1.4
593.42151	2.3
603.40552	5.4
611.43121	1.7
616.87085	1.3
621.41510	61.8
622.41547	1.5
639.42560	100.0
640.42688	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28582	1.2
51.02363	1.3
53.03952	7.1
55.01877	13.7
55.05515	57.1
57.03439	13.5
57.07053	2.0
65.03940	5.0
67.05508	62.4
69.03413	5.4
69.06731	2.0
69.07070	27.2
79.05498	61.8
81.03423	26.0
81.07062	70.7
83.04992	11.5
83.08154	2.0
83.08624	27.2
85.06545	4.1
91.05488	55.2
93.07047	49.5
93.07639	2.2
95.04972	56.5
95.08611	32.1
97.06527	6.2
97.10189	14.2
98.21494	3.6
99.08099	2.5
103.05441	3.7
105.04528	2.6
105.07033	55.0
107.04958	31.4
107.08602	31.7
109.06521	22.5
109.10154	19.0
111.04466	1.9
111.08092	9.5
115.05453	5.4
116.06228	2.4
117.07010	24.6
118.10513	1.3
119.04928	2.8
119.08583	45.4
121.06522	17.3
121.10146	19.4
123.04432	3.5
123.08084	8.4
123.11759	2.3
125.09615	12.3
128.06204	5.1
129.06989	17.4
130.07787	2.8
131.04919	1.7
131.08572	28.7
132.05721	1.6
133.06497	8.7
133.10132	26.9
135.08052	12.7
135.11661	9.2
137.05800	1.5
137.09633	6.5
141.07018	5.7
142.07770	4.0
143.08571	16.7
145.06508	11.0
145.10132	32.0
146.07272	2.1
147.08051	15.4
147.11678	13.0
149.09624	14.7
149.13252	2.5
151.11208	3.7
153.06955	2.1
153.09102	2.9
154.07808	2.5
155.08586	8.1
156.09352	1.3
157.06493	1.8
157.10120	11.4
159.08086	9.9
159.11702	17.3
161.09615	21.8
161.13286	5.7
163.11211	27.9
165.06999	1.7
165.09143	1.9
165.12732	3.8
167.08597	5.1
169.10138	9.6
171.08083	1.9
171.11661	9.4
173.09613	4.7
173.11838	3.0
173.13281	6.3
175.11224	8.2
175.14838	2.3
177.09123	1.6
177.12755	7.8
181.10150	4.4
182.40723	1.5
183.11662	6.8
185.09592	2.8
185.13263	5.2
187.11194	5.1
187.14870	2.7
189.11227	6.0
189.12807	4.1
191.10754	2.1
191.14316	1.9
193.10266	2.0
193.12262	7.2
193.15788	1.8
195.11647	3.5
197.13277	4.2
199.11116	4.0
199.14854	2.8
201.12759	2.5
203.14380	2.2
205.12247	5.3
207.11743	2.8
207.13651	2.1
209.13326	2.3
211.14841	3.7
213.12695	1.7
213.16299	2.0
215.14429	2.9
219.13857	4.0
219.17522	1.7
221.13319	1.7
221.15414	1.9
223.13298	5.7
225.16252	1.9
227.12776	7.4
227.17944	5.1
229.19534	1.6
233.15317	1.7
239.17986	2.8
245.19054	10.1
255.17494	5.1
257.19022	5.3
267.15967	4.3
269.19138	2.2
271.16995	6.1
273.18509	80.8
274.18973	2.0
275.20084	49.0
279.15881	1.7
285.18588	1.5
287.20020	2.1
289.18182	2.7
291.19589	12.2
293.17670	1.5
293.21179	3.2
295.19193	2.4
311.20160	2.6
327.23181	2.5
329.21121	9.3
329.24573	2.9
331.22726	2.7
345.21008	2.0
347.22220	29.3
349.23749	36.9
351.25366	1.4
355.26361	5.8
365.23151	2.3
377.28302	1.7
393.28476	1.5
395.29575	3.1
429.29944	2.1
437.25476	1.6
437.30704	2.0
488.09259	1.5
489.31992	2.3
511.34140	3.2
513.32196	4.4
529.36462	3.2
547.37537	3.8
565.38580	4.0
569.34796	6.1
607.43701	7.0
621.41565	33.0
639.42511	100.0
640.43225	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01879	12.7
55.05515	45.8
57.03436	7.9
57.07064	2.7
59.04995	2.5
59.84095	1.3
65.03951	3.4
67.05511	55.8
69.03428	5.6
69.07072	23.2
71.52373	2.6
79.05501	48.0
81.03423	17.9
81.07061	71.3
83.04977	9.0
83.08622	31.1
84.08182	1.6
85.02915	2.2
85.06580	2.8
91.05487	49.5
93.07047	38.5
95.04977	42.9
95.08612	25.2
97.02921	1.7
97.06529	8.4
97.10194	9.1
97.35332	1.5
99.04471	2.6
99.08118	1.7
105.04520	2.1
105.07036	40.1
107.04964	25.9
107.08604	25.8
109.06525	25.5
109.10168	18.3
111.04453	4.2
111.08097	9.1
111.64401	1.4
113.05994	1.6
115.05471	4.1
116.06308	1.5
117.07024	24.0
119.04977	2.1
119.08591	37.9
121.06527	15.9
121.10152	13.7
123.04454	2.2
123.08085	9.7
123.11734	2.5
125.09657	10.8
128.06232	4.4
129.07002	13.8
130.07809	2.8
131.04959	3.1
131.08585	21.9
133.06541	5.8
133.10133	19.5
135.08060	9.0
135.11687	8.1
137.05954	1.8
137.09645	2.1
139.11188	1.8
141.07013	5.6
143.08562	15.7
145.06532	6.9
145.10123	26.2
147.08055	14.0
147.11694	8.9
149.09631	16.9
149.13272	3.7
151.11215	3.1
153.09172	2.0
155.08531	7.5
157.06488	1.6
157.10147	13.4
159.08083	7.4
159.11678	14.4
161.09650	19.0
161.13287	5.9
163.11194	20.1
165.09155	1.5
165.12778	4.8
167.08557	2.0
169.10127	8.2
171.08038	2.6
171.10329	2.6
171.11714	7.4
173.09618	7.5
173.11821	1.7
173.13258	6.2
174.05199	1.6
175.11197	7.3
177.12787	5.1
181.10205	3.5
183.11681	7.6
185.09654	3.7
185.13321	4.8
187.11171	6.6
187.14883	2.1
189.11234	4.7
189.12802	3.9
191.14355	1.8
193.10364	1.4
193.12260	5.2
195.11765	4.7
197.09706	1.9
197.13289	3.5
199.11275	4.1
199.14853	2.3
201.12775	2.1
201.16452	1.5
203.14343	2.0
205.12277	4.9
207.13948	2.0
211.14899	3.4
217.15840	1.6
219.13809	3.1
223.11302	1.9
223.13342	5.4
225.12770	1.9
225.16463	2.0
227.12695	8.7
227.18079	2.8
229.19681	3.0
233.15388	2.2
237.16451	3.0
239.18054	3.1
245.19067	6.8
247.20610	2.2
255.17537	5.3
257.19110	6.3
265.19604	2.1
267.15985	4.3
271.16971	4.4
273.18524	59.3
275.20111	34.9
290.89606	1.7
291.19601	13.1
293.21225	2.2
325.98676	1.4
327.23300	3.3
329.21094	6.6
329.24780	2.7
331.22827	2.0
347.22137	23.6
349.23770	26.9
349.27679	2.4
355.26486	4.1
365.23373	1.7
395.29727	1.7
430.95535	1.5
435.28909	1.8
437.30969	2.0
504.70642	1.6
511.34732	3.8
513.32153	4.4
529.36255	2.7
547.38031	2.8
565.39154	5.1
569.34705	4.6
621.32104	1.6
621.41730	25.9
639.42615	100.0
640.43402	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	639.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.7
53.03941	5.1
55.01869	4.8
55.05270	2.1
55.05516	23.3
57.03441	23.2
57.07078	2.9
60.41136	1.0
65.03942	3.7
67.05510	41.5
69.07075	17.1
69.17335	12.2
74.70959	1.1
77.03951	1.2
79.05499	36.1
81.03432	6.6
81.07062	50.6
83.04982	16.5
83.08623	9.7
84.90571	1.2
85.06551	5.9
87.55302	1.1
91.05489	50.4
93.07047	40.8
95.01356	1.4
95.04983	12.0
95.08613	32.8
97.06554	5.5
97.10176	4.6
99.08105	2.4
103.05464	2.7
104.06303	1.5
104.19853	1.3
105.07040	47.9
107.04961	19.9
107.08607	20.6
109.06516	11.3
109.10175	10.4
111.04461	7.9
111.08094	3.6
113.06004	7.8
115.05444	2.8
117.07037	21.3
119.08593	32.4
121.06496	6.0
121.10152	12.1
123.04389	1.2
123.08061	6.9
123.11720	1.4
125.06023	2.0
125.09654	2.7
126.81293	1.1
127.07536	1.5
128.06232	5.1
129.07001	16.2
130.07758	1.5
131.04909	1.3
131.07097	1.9
131.08580	33.6
133.06506	3.0
133.10138	21.7
135.08070	6.4
135.11697	9.0
137.09615	3.2
139.11201	1.3
141.07011	8.9
142.07788	4.1
143.08577	14.9
145.06528	7.0
145.10133	22.1
147.08099	5.4
147.11679	11.9
149.06064	1.3
149.09663	6.4
149.13257	4.7
151.11177	1.9
153.06975	1.7
154.07805	2.4
155.08577	14.3
156.09389	2.1
157.06537	2.2
157.10162	17.2
159.08052	8.5
159.11700	18.6
161.09668	4.8
161.13217	8.2
163.07631	1.7
163.11203	5.2
165.06996	2.1
166.07761	2.3
166.68730	1.3
167.08607	6.0
168.09396	2.4
169.10149	14.0
171.08095	3.1
171.11668	11.5
173.09651	5.1
173.13235	7.5
175.07625	1.3
175.11253	5.4
177.12808	5.9
179.08600	3.7
179.10736	1.2
179.14352	1.3
180.09390	1.5
181.10124	8.4
183.08002	2.1
183.11705	8.6
185.09651	4.8
185.13280	6.7
187.11238	5.9
187.14867	4.5
189.12782	1.6
189.16364	1.5
191.08603	1.4
192.09383	1.6
193.10165	4.8
193.12260	1.6
194.11052	1.3
195.11731	8.9
195.13600	1.8
197.09691	3.0
197.13246	7.1
199.11220	3.8
199.14777	5.3
201.12869	2.3
201.16377	1.7
205.10263	2.5
205.12199	1.9
205.15938	2.8
207.11707	5.2
207.20587	1.2
209.09669	2.1
209.13219	5.8
211.11221	3.7
211.14879	3.6
213.12766	3.5
213.16434	3.8
215.14380	3.3
215.17967	1.7
217.15958	1.4
219.11768	3.1
221.13335	3.4
223.11449	1.7
223.14951	3.6
225.12860	2.7
225.16475	3.3
227.14482	1.6
231.13898	1.4
233.13304	2.5
233.15443	4.6
235.14903	3.5
235.17007	1.2
237.12823	2.0
237.16435	3.0
239.14366	2.0
239.18088	3.0
241.14323	2.0
241.19592	2.5
243.17545	1.8
247.14754	1.7
249.16435	2.1
251.14438	2.1
251.18285	1.2
253.15773	2.8
253.18153	3.5
257.19113	3.7
259.20688	4.6
261.18637	2.8
263.17834	1.8
271.17056	4.8
271.20654	1.4
273.18527	4.2
275.20197	4.3
279.15753	10.9
285.22278	3.9
289.18005	10.4
291.19702	3.9
307.19162	2.5
311.20166	1.5
313.21658	2.5
315.23212	3.1
321.22198	1.2
323.23773	2.2
325.21759	1.4
325.25323	2.3
327.23254	1.6
333.24417	5.7
339.23227	2.6
341.24835	4.1
343.26443	4.7
347.22580	1.3
349.24451	1.5
351.23401	2.4
361.25336	1.7
363.21783	7.5
365.24072	1.3
369.24435	3.3
377.24890	1.4
381.27975	1.2
401.27057	1.3
415.28287	1.3
443.27908	2.9
445.35031	1.6
457.30667	1.3
473.34430	4.3
489.33139	1.6
491.35312	4.9
509.36380	3.4
511.35614	5.0
519.38550	1.9
525.00647	1.3
527.37134	1.9
529.37122	6.9
539.33759	2.4
547.38000	11.2
549.35608	1.6
565.38879	22.9
567.37036	2.6
583.39929	3.3
593.42133	1.4
603.40796	7.9
607.43353	1.9
611.43250	1.3
621.41553	100.0
622.42120	2.4
639.42560	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
55.01876	5.4
55.05278	1.1
55.05519	16.4
56.97808	0.9
57.03442	9.3
57.12441	0.9
65.03929	3.4
67.05507	25.2
69.03429	11.3
69.07077	7.5
70.06579	3.3
71.04998	6.1
71.10287	1.5
73.02927	0.9
79.05496	23.6
81.03421	100.0
81.07060	27.8
83.04985	19.7
83.08627	24.1
84.08149	1.9
85.02435	1.7
85.02910	21.1
85.06532	2.5
86.09702	1.5
89.39808	1.0
91.05486	31.4
93.07046	19.1
93.07633	1.1
95.04975	27.4
95.08598	8.4
97.02899	14.3
97.06532	5.8
97.10173	6.8
99.04446	4.4
105.07040	23.3
107.04959	8.1
107.08591	9.4
109.02882	19.3
109.06509	4.6
109.10169	4.4
111.04449	13.6
111.08087	10.4
113.06020	1.8
115.05418	1.6
117.07026	3.6
119.04958	2.2
119.08590	21.4
121.06506	5.4
121.10139	9.5
123.04429	2.3
123.08058	2.8
123.11710	2.7
125.05969	1.3
125.09626	5.7
127.03903	9.0
128.06241	1.1
129.05498	2.4
129.07008	11.1
131.04948	2.0
131.08578	12.1
133.06485	4.8
133.10149	11.0
135.08090	2.3
135.11693	2.6
137.06007	1.8
137.09634	2.7
142.07791	2.5
143.08563	1.9
145.06511	2.0
145.10147	4.5
147.04456	1.4
147.08073	3.8
147.11705	16.7
149.06050	1.2
149.09642	7.6
151.03831	1.3
151.11203	1.3
153.12775	2.1
155.08504	1.3
157.06461	1.3
157.10136	14.7
161.06010	1.3
161.09604	1.5
163.03954	1.1
163.11179	5.4
165.12749	5.5
171.08183	1.6
171.11693	1.1
173.04565	2.0
173.05911	1.2
175.11197	16.5
179.64429	1.1
181.12283	4.1
183.06731	1.2
189.05447	1.4
189.11240	2.1
189.12778	1.6
191.10738	2.8
193.12251	44.8
199.11270	1.3
201.07556	1.2
207.13721	1.3
209.11816	1.9
211.13295	58.6
213.12849	1.0
213.14847	1.2
227.12682	5.6
229.14351	2.2
249.14984	2.4
259.13428	1.3
267.13043	1.4
267.15912	27.5
267.18616	1.6
273.14929	3.9
277.14365	1.9
283.15387	3.2
285.17032	16.0
291.16193	1.3
301.14322	6.2
309.16827	1.3
313.16357	1.3
319.15466	2.8
337.16592	4.0
355.17575	5.5
367.22815	2.0
385.23758	5.9
393.19113	5.4
397.24057	1.1
403.24863	3.3
411.20245	6.3
429.21130	5.5
459.27472	14.2
477.28558	20.7
477.35446	1.1
495.29575	20.0
501.28745	1.6
511.28955	2.7
519.30017	2.4
561.30554	2.4
567.29590	1.1
573.31091	2.2
585.30743	4.7
603.31750	4.9
621.32813	19.8
639.33777	54.4
640.34290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	1.0
53.03950	10.4
55.01876	14.3
55.05515	40.9
55.76947	1.1
57.03439	14.1
57.07080	1.8
65.03941	5.6
67.05509	78.9
69.03437	14.0
69.07074	23.2
71.04990	6.2
73.02925	1.7
77.03943	1.3
79.05499	80.8
81.03423	44.4
81.07063	87.8
83.04989	25.4
83.08627	20.5
85.02903	6.3
85.06551	3.4
91.05488	68.8
93.07053	67.7
95.04977	33.3
95.08614	36.7
97.02901	6.5
97.06529	11.8
97.10177	15.8
98.20657	3.2
99.04466	5.2
99.08098	3.4
103.05492	3.6
105.04545	2.7
105.07036	48.9
107.04958	18.1
107.08604	32.4
109.02886	3.7
109.06525	16.2
109.10156	14.5
111.04447	6.3
111.08096	7.1
113.09623	1.5
115.05477	6.4
117.07029	24.7
119.04954	1.7
119.08590	39.6
121.06511	11.2
121.10148	17.3
123.04438	1.4
123.08076	8.9
123.11738	4.6
125.09643	8.1
127.03938	5.3
128.06216	7.4
129.05528	5.3
129.07019	20.8
130.05609	1.2
130.07814	2.3
131.04938	3.1
131.08574	20.6
133.06487	7.1
133.10135	17.9
135.08044	8.1
135.11676	9.8
137.09605	3.0
139.11229	1.7
141.07001	4.6
142.07806	3.6
143.08569	15.9
144.09219	1.5
145.06491	8.1
145.10135	18.0
147.08037	9.8
147.11697	24.9
149.06052	1.5
149.09683	5.3
149.13232	8.8
151.07527	1.6
153.06955	2.0
153.09055	1.3
154.07854	1.4
155.08580	7.4
156.09392	1.9
157.06500	4.1
157.10133	13.4
159.08089	11.2
159.11668	12.6
161.05981	1.4
161.09644	14.2
161.13289	12.5
162.75861	1.3
163.07658	1.1
163.11182	7.7
165.07025	1.8
165.12808	2.4
166.07869	1.8
167.08618	3.8
169.06512	2.5
169.10106	10.0
171.08125	4.5
171.11690	19.4
173.04544	2.2
173.09669	5.5
173.11865	1.7
173.13229	2.8
175.11252	4.8
177.12759	5.6
179.08627	2.3
179.14267	1.5
181.10144	4.4
183.08122	4.2
183.11685	5.9
185.09685	3.6
185.13324	5.2
187.11209	4.2
187.14891	2.1
189.11250	3.4
189.12822	7.4
191.14311	2.4
193.10281	2.6
193.12341	4.6
195.08119	1.3
195.11835	4.2
195.13889	5.8
196.08937	1.3
197.09615	4.3
197.13353	2.3
199.11249	5.4
199.14941	1.8
201.12790	2.8
201.16391	1.9
205.12334	2.8
207.11731	3.8
207.13776	20.1
208.08954	1.5
209.09761	1.3
209.13297	3.4
211.11237	3.6
211.14818	2.4
213.12781	4.0
213.14760	2.6
215.14322	1.1
219.13829	2.6
221.13368	2.5
223.11223	3.0
223.14938	2.8
225.12914	2.1
225.16530	2.6
227.12801	4.8
227.14638	2.5
227.18190	1.3
231.17549	1.4
233.13300	1.9
235.14876	1.4
237.12880	1.6
239.14432	1.5
239.18250	1.4
241.15952	2.3
243.17538	1.4
245.19122	2.4
253.15918	1.5
255.17436	1.7
259.16934	2.0
265.15891	1.6
267.16110	4.3
269.17435	7.0
271.17038	3.7
273.18494	19.7
275.20172	2.7
281.17468	56.8
287.16647	2.5
291.19644	4.5
293.15366	1.3
309.18036	1.2
311.20139	1.6
327.23267	2.2
329.21143	2.3
339.18176	5.2
347.22296	5.9
353.24808	8.0
361.20969	1.5
371.25986	1.2
377.24841	2.1
389.24475	1.4
393.28143	4.6
395.20648	2.8
407.25983	1.5
413.21881	10.5
433.23114	1.5
457.29517	3.7
475.30612	71.7
477.29974	2.0
487.27307	3.4
525.28680	2.3
527.35162	3.8
545.36584	7.6
555.33258	1.4
563.37085	5.6
567.33411	1.9
568.34198	10.0
619.35248	25.5
637.32556	5.9
637.41125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3586
Annotation	Withanoside XI
Peak:m/z	Relative Intensity
53.03946	8.9
55.01866	5.2
55.05519	22.0
57.03447	11.4
57.07079	2.5
59.18707	1.5
61.58892	1.4
62.83144	1.6
65.03941	2.8
67.05512	55.1
69.03439	11.9
69.07072	19.4
70.06285	3.2
70.06668	6.0
71.01349	2.3
71.04995	7.5
73.02908	1.6
77.03915	2.0
79.05500	68.8
81.03426	26.7
81.07063	75.9
83.04994	23.5
83.08630	12.5
85.02893	5.5
85.06557	4.0
91.05495	50.3
93.07053	65.9
95.04975	18.3
95.08614	29.3
97.02877	7.3
97.06537	11.1
97.10171	5.9
99.04456	2.8
99.08071	3.0
105.04518	3.0
105.07037	36.6
107.04965	6.3
107.08606	27.4
109.02903	4.1
109.06499	11.0
109.10177	8.9
111.04450	2.9
111.08101	4.8
115.05453	1.8
116.06177	1.5
116.67628	1.6
117.07022	14.6
119.08588	20.4
121.06517	7.0
121.10177	10.9
123.08096	5.8
123.11748	4.1
126.37791	1.5
127.03925	3.7
128.06186	2.6
129.05516	5.2
129.07007	17.1
131.08592	16.1
133.06479	3.4
133.10155	16.1
135.08066	6.5
135.11719	5.8
137.09650	2.2
141.07018	2.6
142.07845	1.9
143.08556	10.0
145.06454	2.5
145.10152	11.0
147.08078	5.5
147.11696	29.0
149.09673	3.3
149.13257	11.2
155.08488	1.9
157.10179	3.8
159.08112	4.3
159.10503	2.2
159.11667	10.3
161.09633	4.8
161.13258	8.3
163.11172	3.8
165.12807	1.6
166.97891	1.6
169.10139	2.2
171.11694	19.5
173.04442	1.8
173.09538	1.6
173.13264	2.5
175.11229	1.8
177.12747	3.0
179.11299	1.3
179.14328	2.0
183.11745	2.8
189.12823	6.4
195.13809	6.3
207.13786	20.4
213.14938	2.2
215.14496	1.7
220.63809	1.4
225.14906	4.5
269.17651	7.4
273.18716	3.4
275.20145	3.3
279.97537	1.7
281.17480	62.4
284.28891	1.4
293.91168	1.5
299.30273	1.6
321.17160	2.4
324.56747	1.7
339.17966	5.2
395.20715	3.1
413.21680	11.1
457.29660	2.5
475.30588	100.0
476.30588	2.5
601.33765	2.0
619.34521	39.6
637.41382	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	637.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.5
54.14667	1.3
55.01875	8.6
55.05517	24.1
56.45714	1.3
57.03442	9.2
64.41537	1.3
65.03940	2.0
67.05183	2.4
67.05511	31.0
69.03430	17.7
69.07067	10.7
70.06595	4.8
71.04988	8.2
79.05498	32.6
81.03421	100.0
81.07061	32.5
83.01329	3.4
83.04986	21.6
83.08624	20.8
84.08136	4.0
85.02918	17.6
85.06571	1.9
86.09688	2.0
91.04977	2.6
91.05490	29.7
93.03419	1.4
93.07055	31.4
95.04963	24.5
95.08607	13.8
97.02911	14.1
97.06531	7.6
97.10171	11.1
98.80880	1.3
99.04454	8.4
101.02384	1.4
105.07047	24.1
107.04959	12.2
107.08611	15.9
107.95084	1.8
109.02884	20.9
109.06508	9.3
109.10165	8.6
111.04433	13.7
111.08088	8.6
113.06014	2.8
117.07030	10.6
119.08598	16.9
121.06518	6.3
121.10157	12.7
123.04442	4.3
123.08054	6.4
123.11652	2.4
125.09651	9.1
127.03931	10.9
128.06215	1.5
129.07024	10.1
129.10262	2.5
130.07831	1.7
131.04973	2.6
131.08566	13.0
131.17613	1.5
133.06506	3.9
133.10158	8.8
135.04451	2.1
135.08055	4.7
135.11684	9.1
137.06000	3.4
137.09578	1.7
143.08565	4.0
145.06458	4.8
145.10143	11.8
147.04500	1.6
147.08055	5.6
147.11694	12.2
149.09641	4.9
153.12726	8.3
155.08585	2.0
157.10132	9.5
161.05936	2.2
161.09711	2.7
163.11182	16.7
165.12799	2.3
171.11642	2.1
173.04454	5.7
173.09668	3.7
175.11237	8.8
177.12936	1.4
181.12216	8.0
189.09282	2.5
189.11246	5.5
189.12820	2.4
191.10698	5.6
193.12260	23.1
205.12245	1.7
207.13805	2.1
209.11693	8.1
211.13304	39.9
217.12247	1.6
223.13300	1.9
227.12784	18.4
231.13779	2.0
259.13330	1.4
267.13168	2.2
267.15848	16.0
273.14862	1.8
277.14340	2.1
280.02859	1.5
283.15399	11.6
285.16983	3.6
297.49942	1.8
301.14502	4.0
309.17123	2.1
313.16403	1.9
317.14136	2.2
319.15280	1.7
324.79053	1.7
335.15057	2.1
337.16306	2.0
353.15863	9.3
383.22113	5.0
385.18716	1.5
391.17938	1.8
393.19104	2.2
401.23166	3.0
409.18573	5.0
411.19846	2.9
427.19650	6.1
457.25974	5.5
468.73596	1.4
475.26691	20.0
493.27994	17.0
510.22888	1.6
545.27533	1.5
583.28864	2.0
601.29852	3.3
619.31189	18.1
637.32141	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55991	1.0
53.03943	2.5
55.01873	2.0
55.05272	1.4
55.05511	16.9
57.03435	3.6
57.07065	2.0
61.02922	3.1
62.23990	0.9
67.05188	1.6
67.05511	25.7
69.03416	3.6
69.07071	14.7
70.06576	3.4
71.04985	2.8
71.52200	1.1
71.52728	1.5
72.08158	2.0
73.02905	1.6
79.05080	1.4
79.05499	16.5
81.03428	8.2
81.06599	1.9
81.07065	28.6
83.05014	5.0
83.08627	19.0
84.08134	2.0
85.02901	7.3
85.06497	2.1
86.09697	4.3
87.00847	1.0
88.03815	1.1
91.05487	19.6
93.07052	23.4
95.04971	8.5
95.08618	20.5
97.02879	3.8
97.06509	6.7
97.10156	3.1
99.04459	2.5
99.08086	1.5
100.90245	1.0
105.01861	1.1
105.07034	28.2
107.04967	7.1
107.08599	21.4
109.02907	1.1
109.06533	4.6
109.10165	19.1
111.08092	6.0
111.11684	1.7
117.07009	8.6
119.08585	25.4
120.08085	1.4
121.06500	5.8
121.10155	13.9
123.08121	4.8
123.11707	5.4
125.09634	3.8
127.03922	2.9
127.07520	1.5
127.11203	12.2
129.07011	3.2
129.10193	1.2
131.08583	14.1
133.06494	1.2
133.10139	22.8
135.08078	5.0
135.11713	9.0
137.09619	6.7
139.11183	2.0
143.08557	2.1
145.04964	1.3
145.10130	17.7
147.08037	2.1
147.11708	17.3
149.09633	22.4
149.13268	2.4
150.10185	1.1
151.11198	9.3
153.12747	2.2
155.08614	1.8
157.10126	3.2
159.08093	1.3
159.11711	11.8
161.09679	2.6
161.13246	3.8
163.11192	19.1
163.14804	1.1
165.12759	10.0
167.10657	1.1
169.10139	3.4
169.12241	1.3
171.11670	4.0
173.09619	2.0
173.13274	4.6
175.11235	4.7
175.14857	1.8
176.58974	1.0
177.12784	4.3
179.10651	1.6
179.14301	2.3
181.12270	1.2
183.11717	3.5
184.07350	4.1
187.11142	1.4
187.14833	1.2
191.14330	1.8
193.12267	9.3
197.13248	3.4
201.12804	1.3
205.12244	1.8
205.15739	1.3
207.13828	1.5
211.13286	3.3
213.16333	1.1
215.17940	2.8
229.14345	10.6
229.19536	3.7
239.18002	10.2
243.15912	1.0
247.20610	3.3
257.19031	14.9
275.20081	100.0
285.17004	1.4
293.21228	5.5
297.17001	2.8
317.24835	2.8
335.25854	8.8
349.23758	99.3
353.26910	14.4
367.24792	33.0
367.29395	1.4
371.27945	18.1
439.23007	8.6
439.27380	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	636.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01873	4.7
55.05512	19.3
56.05038	1.6
56.59090	1.4
57.03431	4.4
61.02911	4.5
64.81782	1.4
65.03935	1.7
67.05195	1.9
67.05511	20.4
69.03415	2.9
69.07078	9.8
70.06587	6.2
70.17816	2.7
70.18208	3.9
71.04996	2.9
72.08162	2.6
79.05491	23.3
81.03399	4.7
81.07057	28.6
83.04979	4.8
83.08616	16.3
84.08126	4.9
85.02895	6.0
85.06515	1.5
86.09684	6.3
91.05481	22.8
93.07046	21.1
93.57517	1.4
95.04977	18.5
95.08609	15.8
97.02896	2.0
97.06541	4.3
97.10179	2.3
105.07030	26.6
107.04969	9.7
107.08601	20.3
109.06503	3.8
109.10163	10.6
111.08076	6.1
116.39716	1.6
117.07015	11.5
119.08578	24.2
121.06527	10.1
121.10155	13.5
123.08036	3.7
123.11727	3.4
125.09634	6.1
129.06990	2.5
129.10266	3.3
131.08580	14.6
133.10132	22.5
135.08022	6.3
135.11661	5.3
137.09598	4.7
143.08617	1.7
145.10135	19.5
147.07991	1.6
147.11705	12.6
149.09631	16.6
149.13275	4.1
151.11163	6.4
157.10138	3.7
159.11671	9.2
161.09615	2.4
161.13297	3.0
163.11174	21.8
165.12773	5.0
169.10075	2.7
171.11682	4.3
173.09554	2.4
173.13268	4.7
175.11137	2.0
177.12759	3.5
184.07349	3.6
187.11101	2.6
189.11151	2.9
193.12199	3.1
197.13292	3.4
201.12698	1.8
205.12282	5.5
215.14381	2.0
227.12746	3.7
229.19630	2.9
239.17902	7.2
245.13867	3.1
247.20528	3.8
257.18991	12.9
269.17435	2.5
275.20065	100.0
293.21191	4.3
296.59756	1.6
297.16885	9.6
335.25809	4.1
349.23721	80.8
367.24774	56.7
411.58871	1.6
439.23285	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
51.95758	0.5
53.03944	1.5
55.01856	0.8
55.05508	3.0
57.03434	0.5
57.06874	0.5
57.07084	6.1
57.42444	0.6
59.05003	1.1
65.00778	0.5
65.03946	0.8
67.05514	7.2
69.03419	3.1
69.07075	3.8
69.43728	0.5
70.89953	0.5
71.04993	1.2
71.48727	0.6
79.05080	0.7
79.05497	9.0
81.03429	2.7
81.07060	13.8
83.04982	15.7
83.08631	1.2
85.06547	2.5
91.05481	11.1
93.07048	15.6
94.81265	0.7
95.04984	9.6
95.08609	9.0
97.02937	0.6
97.06534	8.5
98.21438	0.7
103.05502	0.9
105.04506	0.7
105.07039	19.7
106.07404	0.7
107.04946	1.2
107.08599	14.0
107.09309	0.9
108.05741	0.7
109.06516	5.4
109.10162	5.8
111.04409	0.8
111.08086	1.5
115.05469	1.0
117.07023	4.2
119.05027	0.8
119.06207	0.8
119.08588	16.4
121.06532	4.2
121.10151	15.8
122.10422	0.6
123.08068	13.3
123.11726	1.0
125.05997	26.2
128.06258	2.4
129.07014	3.3
130.07806	2.5
131.08583	6.5
132.09309	0.6
133.06516	2.4
133.10139	9.0
135.08057	4.4
135.11703	4.0
137.05997	0.9
137.09621	3.1
139.07562	2.3
139.11244	0.8
141.07014	1.3
142.07788	3.4
143.08574	5.6
144.09343	1.6
145.10127	14.3
147.08047	5.7
147.11687	4.7
148.08734	0.8
149.09619	3.4
149.13222	0.5
151.07542	16.4
153.07019	0.6
155.08548	3.4
156.09375	3.1
157.10155	7.0
158.10916	0.8
159.08105	2.0
159.11723	5.0
161.09669	2.5
161.13251	3.5
163.03935	0.6
163.11188	56.5
165.07037	0.7
165.09113	8.4
165.12817	0.9
167.08553	1.5
167.10776	0.8
168.09320	1.3
169.10083	3.7
170.10947	1.4
171.11699	5.3
173.09683	1.8
173.13332	3.2
175.11200	2.2
177.09180	1.4
177.12842	0.8
179.08517	0.9
180.09171	0.7
181.10184	2.5
181.12234	25.3
182.10980	0.7
183.11702	5.6
185.09601	1.2
185.13239	2.8
187.05540	0.6
187.11365	1.2
189.12738	5.3
191.14352	1.3
193.10208	0.9
194.10858	0.9
195.11752	2.9
195.13821	1.2
196.12549	1.0
197.09711	1.0
197.13341	2.1
199.11237	2.3
199.14799	0.7
201.12778	4.9
203.14278	3.4
206.10857	0.7
207.11836	1.1
207.13850	5.4
209.13316	2.2
209.15324	1.1
210.14058	0.6
211.11153	1.3
211.14894	1.7
213.12793	1.9
215.10820	0.8
215.14375	1.0
221.13332	1.1
221.15353	12.5
221.17569	0.8
223.14896	1.3
225.12688	1.4
225.14793	7.5
225.16609	0.7
227.10826	0.6
227.14427	0.8
229.12314	1.0
229.15912	0.6
233.15445	1.1
235.14737	0.6
237.12787	0.7
239.14368	0.9
249.16295	0.7
251.17813	0.7
253.15948	0.8
255.13884	1.0
261.16794	0.8
269.19034	0.6
279.17575	0.7
281.18942	0.9
285.18701	1.3
286.19336	2.1
287.20154	2.4
297.18509	1.4
299.20029	1.2
311.20111	0.8
312.20892	6.8
317.21155	19.5
329.21252	0.8
391.26321	2.8
409.27362	29.0
506.04095	0.6
541.35181	12.4
615.22028	1.3
615.40167	2.4
633.41443	100.0
634.41742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4153
Annotation	Methylene-bismehranine
Peak:m/z	Relative Intensity
53.03932	1.5
55.01849	0.9
55.05508	4.0
57.03426	0.6
57.07076	6.7
57.27331	0.6
59.04979	1.7
63.51891	0.6
65.03920	1.7
66.99773	0.5
67.05505	8.6
69.03436	3.9
69.07076	3.5
70.06594	0.9
79.05070	0.8
79.05491	8.9
81.03431	3.7
81.06602	0.7
81.07056	12.7
83.04987	18.5
83.08614	1.5
84.08162	0.7
85.02908	0.8
85.06525	2.0
86.09715	1.1
91.05486	12.1
93.07043	16.7
95.04971	11.6
95.08610	11.5
95.41204	0.6
96.63940	0.7
97.02878	0.9
97.06526	13.3
97.10153	0.6
100.19045	0.6
103.05454	0.9
105.04496	0.7
105.07034	21.8
107.04942	2.6
107.08600	17.3
107.30531	0.8
109.06507	5.2
109.10175	5.1
111.08081	0.9
113.06067	0.8
115.05402	0.8
116.81184	0.7
117.07034	5.4
119.08582	18.0
121.06523	5.6
121.10152	19.7
122.07276	0.8
123.08068	16.9
123.11723	1.6
125.05999	39.5
125.09679	0.5
128.06192	1.5
129.07016	2.0
130.07793	3.0
131.08575	6.4
132.09372	1.0
133.06476	2.4
133.10135	7.8
135.08072	3.4
135.11708	6.3
137.06001	0.7
137.09633	4.7
139.07552	2.9
139.11252	1.2
141.06996	1.1
142.07805	1.3
143.08597	4.9
144.09332	1.2
145.06564	0.8
145.10126	17.2
147.08051	5.4
147.11705	6.6
148.08904	1.1
149.09601	4.3
151.07544	26.4
153.09102	1.3
155.08539	2.2
156.09357	2.1
157.10170	5.0
159.08028	1.6
159.11725	4.3
161.09601	2.9
161.13220	3.9
163.11183	100.0
164.11617	0.8
165.09114	7.5
165.12762	1.1
167.08626	1.1
167.10675	1.0
168.09326	1.2
169.08684	1.3
169.10156	3.4
170.10986	0.9
171.08028	0.9
171.11656	3.5
173.09630	1.4
173.11905	0.6
173.13272	2.1
175.11183	1.8
175.14832	0.7
177.09181	0.7
179.08643	0.7
181.10217	1.9
181.12239	34.0
183.11707	4.7
185.09613	1.2
185.13289	2.4
187.11208	1.2
187.14775	0.8
189.12752	6.8
190.13486	0.7
191.14325	1.0
193.10127	0.6
193.12277	0.8
195.11740	2.3
195.13768	1.0
197.09631	0.7
197.13264	1.1
199.11101	1.3
201.12776	4.5
203.14374	2.9
207.11861	0.9
207.13779	7.5
209.13280	2.0
209.15414	2.7
211.11060	1.1
211.14813	1.7
213.12823	1.3
215.14346	0.9
219.13921	1.2
221.13409	0.7
221.15358	16.9
223.14769	1.0
225.12776	1.3
225.14827	20.2
225.16872	1.2
227.14398	1.1
229.12355	0.7
229.15787	0.7
233.15419	1.3
243.13818	0.9
251.17896	0.6
269.19138	0.9
285.18655	1.2
286.19357	1.9
287.20108	4.1
297.18515	0.8
299.20053	2.2
307.60312	0.7
311.19928	0.9
312.20850	5.0
317.21106	19.0
329.20908	0.9
391.26358	1.9
399.58670	0.6
407.25540	0.8
409.27380	34.4
410.27762	0.8
498.49094	0.7
541.35321	8.7
613.51740	0.6
615.21002	0.8
615.40558	1.4
633.41492	88.8
634.41882	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72506	1.0
53.03945	4.9
54.15696	0.8
55.01871	4.9
55.05275	1.2
55.05515	19.2
57.03440	5.4
57.07069	2.0
59.05003	3.9
65.03938	3.6
66.79376	0.7
67.05507	100.0
69.03433	40.8
69.07066	12.3
71.04994	5.6
72.20133	0.8
73.06553	1.0
73.21934	0.8
79.05495	32.6
81.02939	1.0
81.03423	24.5
81.07059	46.9
83.04986	9.7
83.08625	10.6
85.02901	4.1
85.06554	4.4
87.04486	1.4
91.04918	1.5
91.05489	34.7
93.07048	36.4
95.04980	11.0
95.08611	29.2
97.02891	5.2
97.06522	4.1
97.10155	6.3
98.20673	1.3
99.04469	3.4
99.08111	1.3
105.04500	1.4
105.07035	27.3
105.39829	0.8
107.04969	3.6
107.08597	22.6
109.02865	5.9
109.06530	5.3
109.10162	61.9
111.04441	6.7
111.08092	5.9
113.05988	1.6
115.05465	1.6
116.06244	0.9
117.07021	14.0
119.04967	1.2
119.08588	19.9
119.32133	0.8
121.06505	4.6
121.10147	15.9
123.04442	1.0
123.08057	2.9
123.11720	2.1
125.05991	1.8
125.09641	6.4
127.03949	4.9
128.06242	2.9
129.05522	1.5
129.07014	9.1
130.07800	1.3
131.04939	1.1
131.08572	19.4
133.06508	4.0
133.10132	15.8
135.08026	4.5
135.11688	8.4
137.05946	0.8
137.09636	4.5
139.11163	1.6
141.07022	3.5
142.07770	1.3
143.08578	9.8
145.06483	2.6
145.10136	14.6
147.08034	4.0
147.11679	8.9
149.05968	0.8
149.09619	3.3
149.13287	3.3
151.07542	2.3
151.11174	1.0
154.07835	0.9
155.07388	0.8
155.08582	5.3
155.10628	3.9
157.10132	7.9
159.08064	3.1
159.11696	9.8
161.09659	3.0
161.13222	4.6
163.11195	3.3
163.14874	1.4
165.07033	1.4
165.09019	1.1
165.12743	0.9
167.08620	1.9
169.10110	4.7
171.08066	1.9
171.11690	6.2
173.09634	2.2
173.11763	16.9
173.13289	5.4
175.11215	2.5
175.14856	2.1
177.12788	1.1
179.10727	1.5
181.10201	2.8
181.12263	1.1
183.11694	3.8
185.09676	2.7
185.13231	4.4
187.11220	2.6
187.14879	3.4
189.11163	2.3
189.12756	1.8
191.14316	1.1
193.15678	0.8
195.11800	2.0
195.13603	1.1
197.09712	1.3
197.11731	0.9
197.13351	2.8
199.11253	1.8
199.14870	1.8
201.12854	1.5
203.14334	1.4
209.11642	1.2
209.13354	2.2
211.14900	2.5
213.12804	1.8
213.16461	1.2
215.17995	1.0
219.13828	0.9
221.15411	2.1
223.14893	1.3
225.12711	1.9
225.16312	0.8
227.12706	2.3
227.14633	1.0
229.14313	20.3
229.56479	0.9
233.15454	1.1
235.15013	1.0
237.16556	1.8
239.14369	1.4
243.21185	1.4
257.13693	1.4
257.19006	1.1
259.20667	1.8
261.22217	2.5
271.20682	1.1
273.22025	1.0
277.21609	4.1
283.20520	1.4
285.22052	1.2
289.21759	1.2
291.49435	0.8
299.14890	2.3
301.21561	7.1
313.21686	1.7
315.23254	2.0
319.22748	3.5
323.23676	1.2
327.23148	1.8
341.24728	2.5
345.24234	2.6
351.23199	6.0
353.24890	1.7
355.17462	3.2
357.24670	1.1
359.26126	1.5
369.24301	11.8
371.26096	1.7
387.25262	6.6
389.26877	1.1
425.26703	1.1
443.27872	4.6
461.29019	7.2
489.35773	2.0
529.35608	1.2
555.37219	1.1
559.36206	1.3
577.17108	1.0
585.37848	1.2
597.37872	7.0
615.38812	10.2
633.39972	60.2
634.40118	1.3
641.30377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.01871	4.6
55.05515	20.3
57.03444	6.9
57.07064	2.3
59.04994	3.1
61.10688	0.8
62.23661	0.7
65.03938	3.7
66.04753	0.9
67.05508	100.0
67.76891	0.9
68.05859	0.9
69.03433	33.6
69.07070	14.2
69.48029	6.2
71.01344	1.5
71.04982	6.5
77.03924	1.3
77.35423	0.9
79.05500	32.9
81.03423	24.5
81.07058	47.9
82.01812	0.8
83.04985	9.0
83.08623	11.5
85.02908	3.7
85.06546	3.4
87.04485	1.3
91.04899	1.5
91.05482	34.0
93.07047	36.6
95.04981	11.9
95.08611	31.9
97.02895	3.7
97.06526	5.5
97.10175	7.4
98.20719	0.8
99.00172	0.9
99.04472	2.6
99.08076	1.0
103.05456	1.6
105.07040	25.8
107.04964	4.4
107.08607	22.1
107.54965	0.8
109.02860	4.8
109.06509	6.5
109.10163	64.6
111.04478	6.0
111.08090	5.3
113.06030	1.2
115.05479	2.7
117.07027	13.0
119.08582	25.0
121.06528	3.3
121.10138	14.2
123.04430	2.1
123.08091	5.1
123.11708	2.7
125.06004	1.7
125.09631	5.8
127.03931	2.9
127.11202	0.9
128.06241	3.6
129.05536	1.7
129.07008	8.9
131.04948	2.3
131.08588	16.7
133.06470	4.7
133.10139	15.7
134.44043	0.8
135.08061	6.9
135.11711	9.9
137.06018	1.9
137.09624	7.3
137.13246	1.1
139.07611	1.0
141.06990	2.0
142.07785	2.5
143.08586	9.5
145.06473	2.6
145.10135	17.4
147.08090	3.6
147.11682	8.2
149.09660	3.7
149.13266	4.2
151.07539	2.5
151.11244	2.2
153.09212	1.4
155.08597	4.9
155.10706	3.9
157.06482	2.0
157.10149	8.4
159.08067	3.1
159.11700	10.8
161.05962	0.9
161.09660	4.1
161.13306	4.5
163.07585	1.2
163.11226	3.2
163.14844	1.5
165.09161	1.6
165.12724	1.1
167.08603	2.3
168.09366	1.0
169.10126	5.8
171.08070	2.4
171.10362	1.5
171.11659	6.0
173.09645	3.5
173.11771	15.0
173.13303	5.3
175.11217	3.9
175.14870	2.3
177.12759	1.5
179.08540	1.3
181.10191	3.4
181.12274	1.8
183.08180	1.3
183.11766	5.0
185.09641	2.4
185.13280	4.8
187.11217	2.3
187.13109	0.9
187.14885	2.8
189.11215	3.3
189.12799	4.1
191.10651	1.2
195.11732	2.8
197.09639	0.9
197.13316	3.6
198.10490	0.8
199.11220	2.4
199.14870	3.7
201.12799	2.0
201.16486	1.4
203.14317	0.9
205.12152	1.3
205.15990	0.9
207.11855	1.1
207.13751	1.2
209.13344	2.3
211.11208	1.4
211.13130	1.3
211.14941	1.8
213.12773	2.6
215.14369	1.7
217.15948	1.6
219.11893	1.2
219.13844	1.7
221.13409	1.3
221.15398	2.0
223.14877	1.1
225.12747	1.6
227.12695	2.2
227.14616	1.2
229.14359	21.2
241.16005	1.2
243.17438	0.9
245.13733	2.3
247.16902	1.3
249.14995	0.9
253.15988	1.1
259.20599	2.7
261.22073	2.4
273.22229	2.2
275.20114	2.2
277.21707	2.7
283.20493	0.9
287.20114	1.3
289.21710	3.2
297.22540	1.1
299.14969	1.9
301.21597	7.6
303.23151	1.4
308.34607	0.9
313.21710	1.3
315.23279	1.7
317.24667	1.1
319.22772	3.0
323.23660	1.0
327.23239	2.4
329.21271	1.1
331.22662	1.6
339.23438	1.2
341.24866	2.3
343.22549	1.2
345.24161	1.3
351.23123	6.0
353.24615	1.6
355.17581	3.3
357.24207	1.0
359.25748	1.2
369.24307	11.1
371.25970	1.0
375.25302	1.4
387.25406	7.1
393.26324	1.6
405.26584	2.0
425.27121	3.9
443.27930	5.8
461.28952	7.8
489.35840	1.1
492.37808	3.4
529.35736	1.3
547.36700	1.2
555.37134	1.5
559.36658	1.6
573.37640	1.5
587.40082	1.4
597.38007	9.4
615.38818	12.0
633.40082	67.6
634.40747	1.7
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
53.03942	0.8
55.01878	3.1
55.05516	7.8
56.05033	1.6
57.03429	1.1
58.99588	6.9
60.04535	0.8
61.01133	0.6
65.03949	0.6
67.05515	6.7
68.05045	0.7
69.03433	1.3
69.07076	8.6
70.06594	6.5
70.24460	1.1
71.05004	0.8
72.08162	1.1
73.01169	0.5
74.00661	1.8
74.06107	0.5
76.02235	25.8
76.04013	2.8
77.03952	0.5
79.05497	8.1
80.05009	2.4
81.03407	1.8
81.07065	13.2
82.06593	1.7
83.04989	3.3
83.06099	4.2
83.08640	4.5
84.04511	11.5
84.08150	4.7
85.01125	0.8
85.02900	0.6
85.04045	0.9
85.06555	0.7
86.00651	1.2
86.09684	1.9
86.99085	2.9
88.02212	1.1
89.34952	0.4
91.05495	5.3
93.07059	6.4
94.06561	0.9
95.04977	1.8
95.08614	5.0
96.04528	0.6
97.01112	2.3
97.02892	1.3
97.06543	2.0
97.10165	4.8
98.00658	1.0
99.02680	0.9
99.05579	1.7
99.08104	0.5
100.02209	0.9
101.00589	0.5
102.05551	1.1
105.07053	3.5
105.13551	0.5
107.04969	1.8
107.06042	0.5
107.08603	6.2
108.04504	0.7
109.02902	0.7
109.06541	2.6
109.07657	0.8
109.10172	3.6
110.07181	0.7
111.02685	1.3
111.04430	1.5
111.08076	0.9
112.02191	4.1
113.00593	2.4
113.02946	0.7
113.04303	0.5
114.03780	1.9
115.05486	0.5
116.01687	13.6
117.07004	2.5
119.08591	3.9
120.08111	1.8
121.06532	1.3
121.10139	1.7
123.02704	1.1
123.04440	1.5
123.08086	2.4
124.02177	4.5
125.00462	0.6
125.09623	4.5
126.03746	4.2
127.02228	0.5
129.06644	3.2
129.10269	2.1
130.05014	5.0
130.06517	0.7
131.04494	0.7
131.08585	2.5
132.08171	0.5
133.06535	0.9
133.10158	2.5
134.09665	0.8
135.02693	0.8
135.08055	2.9
135.11737	2.2
136.02179	1.3
136.03970	0.5
136.07562	1.0
137.04239	1.0
137.09619	0.9
138.03745	1.3
139.02193	0.9
139.05803	0.8
140.01657	1.0
140.34599	0.5
141.04877	1.2
142.03250	3.5
143.02681	0.6
143.08563	1.7
144.01151	5.1
145.06087	2.5
145.10149	2.0
146.09669	0.5
147.02536	0.5
147.08060	1.4
147.11693	0.7
148.11180	0.5
149.09645	1.1
150.03825	0.5
151.05759	1.3
151.11214	0.8
152.01656	1.2
153.06622	1.5
153.09140	0.8
153.12727	3.5
155.08261	1.4
159.08017	1.3
161.04114	0.6
161.09636	2.4
162.02226	11.8
162.03621	0.8
163.05899	0.5
163.07613	1.0
163.11198	1.8
165.07338	0.6
165.09187	0.7
169.06851	0.6
170.02766	2.3
171.10149	0.6
173.09651	0.7
175.05690	0.8
175.11133	0.6
176.10768	0.7
176.14406	0.7
177.03319	3.1
177.07379	1.0
178.06868	0.7
178.12328	1.0
179.04872	12.1
179.10759	0.7
181.06126	1.5
181.12228	0.9
184.11595	0.7
185.03816	3.2
187.05315	3.2
188.03809	0.5
189.03448	0.7
189.07379	1.3
189.11234	1.4
191.05334	0.6
191.10689	0.9
192.08430	2.9
193.07013	2.4
193.12297	1.7
194.09958	3.3
195.08400	0.8
196.11548	0.6
199.07179	1.1
201.07524	0.6
204.08597	0.5
205.06764	0.9
211.07619	0.6
212.11005	0.6
215.04904	1.2
219.08455	1.2
222.09544	2.3
223.07990	0.9
223.59494	0.5
224.11098	1.9
225.01196	0.5
225.09489	1.1
227.12726	2.4
228.10669	0.5
230.12198	0.7
231.04401	5.6
233.05945	6.3
236.11115	1.5
238.12688	1.8
240.10538	4.2
241.11281	1.3
242.12073	2.7
243.17574	0.7
245.05994	1.2
250.12448	0.8
254.11934	3.5
256.13776	1.1
266.12109	2.5
268.13660	1.0
271.17279	1.0
278.12088	2.4
282.11606	1.1
284.13144	0.9
289.17996	6.1
291.19699	0.6
293.15790	0.8
297.12527	1.2
303.14142	1.7
307.19141	2.8
308.09122	7.3
311.14273	4.3
312.12698	1.2
319.17282	0.8
321.15234	8.8
323.14127	0.6
329.15781	1.3
339.16434	0.7
343.13318	1.1
345.14789	1.5
346.18350	7.8
347.16641	2.8
357.14810	7.2
364.19427	18.8
365.17868	7.4
369.14813	2.2
374.17688	0.8
382.20471	6.7
383.19113	1.0
383.27313	0.6
384.27994	0.7
387.16000	1.0
392.19080	1.9
400.21707	1.4
421.21945	0.9
439.22693	0.5
449.21109	2.7
450.19922	0.7
467.22189	20.8
485.23212	100.0
486.23700	1.0
503.23526	0.8
521.22852	1.0
528.31519	0.7
533.23297	0.7
539.24353	0.8
546.33453	1.9
557.25311	7.0
570.33685	0.8
578.25818	0.6
588.34161	6.4
596.26477	4.4
614.27850	1.5
632.32886	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	631.3992
Annotation	(-)-Pleiomutine
Peak:m/z	Relative Intensity
53.03944	1.4
53.59412	0.4
55.01868	0.9
55.05513	3.6
57.07072	2.2
59.05000	0.8
65.03943	1.1
66.98875	0.4
67.05507	7.5
69.03432	3.4
69.07074	2.3
70.06602	0.6
71.04985	0.9
77.03944	0.8
79.05494	7.6
81.03426	0.8
81.07063	9.5
83.04985	2.3
83.08625	2.0
84.12459	0.6
85.02896	0.6
85.06532	2.1
85.10206	0.6
86.86989	0.5
90.89829	0.5
91.05488	10.4
93.07045	11.5
94.17191	0.5
95.04975	5.0
95.08614	6.0
97.02876	1.6
97.06547	1.8
99.04457	0.9
103.05477	1.0
105.04535	0.7
105.07038	14.4
107.04975	1.4
107.08599	9.7
109.02890	1.8
109.06525	3.9
109.10162	12.5
111.04462	1.3
111.08130	0.8
113.58366	0.6
115.05465	1.0
117.07018	3.9
119.04930	0.7
119.08591	11.6
121.06509	3.4
121.10147	16.0
122.07339	0.5
123.04439	1.0
123.08077	6.2
123.11681	0.6
125.05991	2.4
125.09631	1.0
128.06241	2.0
129.07042	3.6
130.07780	1.0
131.08585	6.7
132.09340	0.5
133.06494	1.8
133.10130	8.1
135.08069	5.7
135.11681	4.1
137.06003	1.0
137.09624	3.9
139.07555	0.8
139.11201	1.7
141.07025	1.5
142.07788	4.8
143.08575	8.1
144.09413	1.1
145.06519	1.6
145.10127	8.5
145.11174	0.8
146.07285	0.6
147.08064	5.5
147.11714	2.0
149.05984	1.0
149.09615	2.9
151.07542	5.8
151.11226	0.8
153.06984	0.8
154.07872	0.5
155.08580	2.8
156.09358	2.5
157.10146	8.4
158.10928	1.0
159.08078	3.3
159.11691	4.8
160.08778	0.8
161.09639	4.3
161.13264	1.7
163.11185	3.7
165.07056	1.3
165.09120	7.0
166.07820	0.7
167.08589	1.9
167.10635	0.8
168.09459	0.9
169.10118	4.8
170.10971	1.6
171.08023	1.5
171.11681	6.9
173.09700	2.9
173.13315	2.1
174.10425	0.6
175.07631	0.8
175.11227	1.9
175.14771	0.7
177.09196	1.1
177.12822	0.8
179.07231	0.6
179.08623	2.0
179.10692	3.2
180.09398	1.2
181.10150	3.2
181.12193	2.5
182.10918	1.4
183.11708	4.9
184.12508	0.7
185.09698	1.2
185.13280	1.5
187.11223	1.8
189.11302	0.6
189.12823	2.3
192.09366	1.2
193.10196	2.6
193.12086	0.8
194.10916	1.5
195.11743	3.2
195.13795	1.6
196.12480	0.7
197.09763	0.8
197.11990	2.4
197.13223	3.0
199.11176	2.5
199.14874	1.3
201.12759	1.6
203.14349	2.0
204.31708	0.7
205.10233	0.7
205.12199	0.7
206.10912	1.0
207.11743	2.6
207.13882	3.7
208.12448	1.2
209.09819	0.7
209.13332	2.1
210.10345	0.6
211.11230	1.9
211.14870	1.2
212.12003	0.8
213.12834	2.2
215.10698	0.8
215.14343	0.8
217.12221	0.9
219.11777	0.6
219.13832	0.7
220.12468	1.1
221.13269	2.6
221.15434	10.9
222.10600	0.6
222.14024	0.7
223.14845	1.6
225.12816	1.3
225.16418	1.2
227.14423	1.4
229.12349	1.2
231.13809	0.8
233.13306	1.0
233.15462	0.9
234.16112	1.3
235.14871	0.7
237.12831	0.6
239.14336	1.2
241.12251	0.7
245.13329	0.9
247.11299	0.7
247.14807	1.3
249.12784	0.9
255.17418	0.8
261.16486	0.9
267.13916	0.7
271.17102	0.9
277.15936	0.9
279.17392	0.8
283.16983	1.3
285.18591	1.8
286.19232	2.7
287.20123	1.5
298.19385	1.5
299.20166	1.1
312.20782	0.6
317.18958	0.5
363.23300	0.8
363.37277	0.6
378.25699	2.1
435.29218	0.8
451.26831	0.9
494.04083	0.6
539.33630	10.4
613.38727	3.6
631.39941	100.0
632.40210	1.7
648.94843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01858	5.2
55.05513	31.2
57.03448	7.7
57.07067	3.8
59.04987	4.9
60.51792	1.1
65.03928	4.8
67.05509	100.0
69.03090	1.7
69.03433	25.7
69.07073	14.3
71.01350	1.3
71.04978	6.8
73.06552	2.7
79.05498	42.5
80.50724	1.3
81.03428	25.4
81.06602	2.5
81.07064	45.8
83.04981	12.4
83.08620	16.9
85.02911	6.2
85.06543	6.7
91.05489	47.6
93.06494	2.3
93.07051	42.3
95.04976	18.8
95.08614	28.6
97.02882	6.6
97.06525	7.5
97.10188	11.2
99.04472	6.0
99.08067	2.1
101.02345	2.3
101.05999	2.8
103.05453	3.4
105.03399	1.3
105.04517	1.7
105.07040	40.8
107.04961	15.6
107.08603	28.4
109.02859	5.5
109.06538	10.4
109.10165	67.0
111.04456	6.3
111.08096	4.0
113.05982	2.3
115.05432	4.7
116.06244	2.6
117.07028	22.3
119.04986	2.3
119.08588	36.0
121.06522	8.3
121.09364	1.2
121.10157	18.9
122.07285	1.3
123.04430	1.7
123.08089	8.9
123.11697	4.1
125.05995	3.4
125.09635	9.9
127.03913	3.5
128.06215	8.5
129.07011	17.7
130.07764	3.1
131.08565	28.2
133.06479	5.0
133.10150	20.2
135.08072	14.8
135.11696	8.8
137.05939	1.8
137.09627	9.7
139.07532	1.7
139.11230	1.8
141.06993	7.8
142.07751	5.1
143.08566	21.4
144.09297	2.6
145.06474	5.1
145.09053	2.4
145.10126	26.9
147.08057	7.0
147.11705	9.5
149.05997	1.9
149.09619	8.4
149.13272	2.1
151.07532	5.0
151.11191	2.8
153.06998	4.5
153.09113	2.5
154.07787	2.7
155.08569	11.4
155.10640	4.0
156.09274	2.5
157.06480	4.6
157.10127	19.6
158.10919	1.6
159.08037	6.9
159.11703	15.9
161.09698	8.0
161.10884	1.8
161.13226	5.3
163.07600	1.7
163.11171	6.4
165.06949	3.5
165.09180	2.9
166.07771	1.8
167.08560	6.1
167.10719	6.2
168.09351	3.3
169.10147	14.1
170.10965	2.0
171.08003	6.4
171.10385	2.0
171.11710	12.7
173.09634	5.2
173.11728	15.5
173.13249	8.5
175.11180	4.1
175.14772	3.7
177.09094	2.3
178.07800	1.5
179.08553	5.7
179.10678	2.6
180.09317	1.5
181.10068	7.8
181.12215	4.0
182.10844	2.4
183.08064	4.0
183.11716	13.4
185.09709	6.6
185.13304	8.0
187.11153	4.1
187.14813	3.2
189.09222	1.1
189.11203	6.9
189.12758	3.6
191.08507	1.8
191.10635	2.2
191.14282	1.9
192.09357	2.1
193.10159	3.6
194.10947	1.8
195.08110	2.1
195.10091	1.8
195.11736	11.5
197.09549	4.1
197.11609	1.8
197.13284	9.0
199.11192	5.7
199.14847	3.6
201.09219	1.5
201.12730	3.5
203.14333	3.7
205.10179	1.7
205.15880	1.8
206.10904	2.0
207.11652	5.4
207.13782	4.2
208.12505	1.7
209.09726	2.5
209.11533	2.2
209.13339	6.5
209.15143	1.6
211.11230	5.3
211.12994	1.5
211.14813	3.6
213.09122	1.4
213.12758	4.1
215.14339	3.9
217.12270	1.5
219.11583	2.6
221.13248	4.2
221.15395	8.8
223.11154	2.8
223.14825	3.3
223.16907	2.5
225.12759	2.0
225.16438	2.7
227.10753	1.4
227.12592	5.8
229.14296	18.1
233.15352	4.9
235.14819	2.8
237.12766	3.2
237.16554	1.6
239.14244	2.8
239.17970	2.1
241.19559	2.1
243.13763	1.4
245.13745	5.1
247.16991	1.3
253.15991	1.9
255.13785	1.6
255.17403	1.6
257.18994	2.7
259.17252	1.2
259.20520	5.5
263.17801	2.1
265.16183	1.7
269.18817	1.8
271.17462	1.8
271.20667	4.3
275.20044	4.2
281.19131	2.0
283.20566	1.8
285.18689	1.9
287.19965	2.9
295.20477	2.6
297.18652	1.4
297.22031	2.4
299.14767	3.0
299.20078	4.4
301.21692	2.9
307.20593	1.7
309.22202	1.8
311.19977	3.1
313.21494	4.6
317.21057	1.9
321.22198	3.0
323.19943	1.7
323.23605	2.2
325.21622	5.3
329.21078	1.6
337.16208	1.4
337.21579	2.7
339.23184	4.9
343.22772	1.5
349.21600	7.5
351.23248	8.9
355.17703	3.2
357.24057	1.8
364.23621	1.3
367.22635	11.6
369.24185	5.1
385.24036	7.3
387.25220	3.0
396.33423	1.3
403.25214	1.3
408.26727	1.5
409.27463	2.9
422.28427	1.4
423.24808	2.7
425.26724	2.5
441.26187	4.8
443.27408	1.5
459.27444	6.3
487.34009	3.0
495.73251	1.3
503.33401	2.2
511.64740	1.3
513.35492	1.2
539.33508	2.3
541.35382	2.8
553.35236	1.6
557.34717	2.1
559.34344	1.5
571.36127	2.8
577.35455	2.2
583.36377	5.8
585.23486	1.4
595.36377	22.6
599.40930	1.5
613.37427	32.7
631.38586	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	631.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
56.05030	1.5
59.64791	0.6
60.04525	0.6
62.69643	0.6
63.28381	0.6
67.05498	0.9
69.03408	0.7
69.07078	0.9
69.40577	3.5
69.40982	1.5
70.06596	9.2
71.06958	0.7
72.08146	2.9
81.03426	0.8
84.04514	2.6
84.08144	7.7
85.02914	1.1
86.09720	4.5
89.98470	0.8
91.05504	1.5
93.07027	0.9
97.02924	0.7
105.07022	0.9
109.02858	0.8
110.07157	1.2
119.08573	0.7
120.08130	2.0
129.10249	3.1
129.43320	0.8
135.08073	0.8
135.11734	0.6
136.07634	1.5
137.09679	0.7
145.10045	0.8
147.04453	1.4
171.11563	0.7
177.05519	1.2
231.09723	0.8
282.02777	0.7
335.24435	2.2
383.27707	5.2
425.28860	1.0
455.54416	0.7
485.23318	1.2
521.67291	0.8
527.31592	3.0
539.31989	1.1
545.33069	8.7
569.33051	1.9
587.34027	27.9
613.32269	1.8
631.33032	100.0
632.33551	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	631.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94558	0.7
55.05523	1.1
55.67210	0.6
56.05042	1.4
64.74541	0.6
67.05492	0.9
69.03420	0.7
69.07092	0.6
69.72809	2.1
69.73218	1.5
70.06596	11.3
72.08163	3.5
74.06077	0.7
79.05506	1.0
81.03472	0.6
81.07075	1.0
83.06068	0.6
84.04521	3.0
84.08144	7.5
85.02904	1.4
86.09715	6.0
91.05503	1.8
94.06612	0.7
95.08633	1.1
97.02916	0.7
98.20840	1.2
110.07187	2.0
113.81075	0.7
117.03387	1.2
118.03727	0.8
119.04990	1.7
119.08591	0.8
120.08151	2.7
122.06021	0.9
129.07011	0.7
129.10245	3.0
136.07632	1.7
145.02852	4.4
146.03239	1.2
147.04396	9.0
147.05356	0.7
148.04771	1.1
163.03961	2.5
164.04312	0.8
177.05490	5.4
178.05859	2.6
181.05016	0.7
204.10226	4.5
205.10603	2.2
230.11957	0.9
234.11351	1.2
243.11516	0.7
255.11273	0.7
257.13034	0.8
272.11700	1.1
285.12500	2.3
303.13425	1.6
322.21506	0.9
383.27631	5.2
425.28864	1.1
437.15573	0.7
455.24234	0.8
459.38821	0.7
467.23993	0.9
468.25171	2.9
469.25381	8.5
484.25018	1.0
485.24887	1.8
527.31366	2.3
539.32440	0.7
545.33087	8.0
558.70715	0.7
569.32941	2.2
581.23712	1.5
587.25122	3.4
587.33984	29.0
613.32434	1.6
631.33081	100.0
632.33820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.9
57.07078	34.3
59.05008	1.0
67.05505	1.9
69.03428	0.7
69.07051	2.4
70.16064	0.4
71.08635	24.9
71.96725	0.4
73.02912	0.8
73.06177	0.8
73.06559	9.1
79.05491	0.8
81.07069	1.2
83.08599	2.5
85.06504	0.4
85.10186	21.0
87.04469	7.8
89.06033	100.0
91.05482	1.7
91.07584	0.9
93.07055	1.3
95.04947	0.9
95.08603	1.3
97.10183	4.0
98.20737	1.1
99.11729	4.2
105.07023	1.4
107.07084	1.9
107.08612	1.1
109.10170	1.2
111.11725	0.7
113.13278	1.8
117.09139	8.2
119.08634	0.9
121.10092	0.9
130.08626	2.3
131.07054	2.4
131.08578	0.5
133.08606	53.9
134.10544	0.4
135.08081	0.5
135.10164	1.3
135.11690	0.4
145.10152	0.6
155.17937	4.4
159.11699	0.5
161.09662	0.8
161.11781	2.2
163.11110	0.5
171.11658	0.5
175.09648	1.8
177.11230	21.8
179.12781	0.4
192.83694	0.4
199.20578	4.2
221.13785	4.8
221.15514	0.5
239.14807	0.7
240.23245	1.3
243.23206	11.9
265.16406	1.4
283.17465	1.7
287.25797	7.7
309.19110	1.2
327.20062	0.9
353.21704	0.8
371.22684	0.5
415.25574	0.9
437.34576	0.5
438.92249	0.4
459.28085	3.9
489.36066	0.5
513.87994	0.5
525.40039	0.6
531.68622	0.4
569.42719	0.5
583.37726	0.4
613.45300	7.6
630.48468	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	630.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01862	1.6
55.05509	2.6
56.05038	1.1
57.03442	0.8
58.06314	0.6
61.02909	1.0
65.54916	0.6
67.05504	3.7
69.03440	3.1
69.07079	5.1
70.06597	21.7
71.05017	2.9
71.06920	1.1
72.08156	5.4
73.02900	0.6
74.06061	0.6
77.03913	0.7
79.05492	7.0
81.03432	1.6
81.07065	16.5
83.04981	4.3
83.06098	1.1
83.08606	1.8
84.04517	2.9
84.08154	8.3
85.02905	6.5
85.06543	1.8
86.09721	4.8
88.04012	1.0
91.03971	0.7
91.05476	5.7
93.06486	1.1
93.07053	19.4
95.04983	5.0
95.08614	8.5
97.02883	1.8
97.06540	15.5
99.04465	6.4
101.06017	1.0
102.05541	1.9
103.05458	0.7
105.07033	12.0
107.04955	3.1
107.08612	11.7
109.02869	0.7
109.06518	14.8
109.10157	2.5
110.07175	8.9
111.04457	0.9
111.08091	5.8
112.08723	1.5
113.06001	1.7
115.07581	1.0
115.08739	1.0
117.03338	0.6
117.05483	0.7
119.04942	1.5
119.07802	0.9
119.08577	7.8
120.08102	2.1
121.06511	36.7
121.10126	3.1
123.04430	1.7
123.08078	2.6
123.11692	2.8
125.06009	5.9
127.03931	1.6
127.07562	5.8
129.07018	1.3
129.10254	4.3
130.04987	0.6
130.10551	0.9
131.08594	1.4
133.06476	1.5
133.10123	6.7
135.04449	1.6
135.08060	5.0
135.11612	0.6
136.07588	3.5
137.05977	2.7
137.13300	0.8
139.07552	12.0
141.05461	1.5
142.07759	1.2
143.07060	4.1
143.08557	2.7
145.04985	1.6
145.06273	0.6
145.10146	3.3
147.04378	0.8
147.08047	1.6
147.11700	21.4
149.13257	1.5
151.07544	1.2
151.11180	1.8
153.09053	0.7
155.08356	0.7
156.09389	1.0
157.08603	7.9
157.10115	6.9
159.06660	0.7
159.08090	0.9
161.06013	1.0
161.09705	1.0
161.13266	5.6
165.12749	10.7
166.07817	0.8
169.12221	3.9
169.13457	1.3
171.08035	0.9
171.11691	9.4
173.09595	1.8
175.11200	18.7
179.14313	0.6
181.04906	1.4
181.10100	2.3
184.08817	1.2
189.12775	13.9
191.14323	1.0
192.07698	1.0
193.10477	0.9
193.12253	17.4
199.11191	19.0
207.13795	7.9
211.13330	14.9
211.15532	2.1
217.12254	54.3
218.12555	0.8
229.14339	2.2
235.13301	53.0
253.14366	100.0
254.14769	0.7
271.15411	26.0
283.13165	0.9
289.16467	41.3
300.16022	1.5
303.04980	1.9
304.05353	1.3
356.14804	0.7
410.21283	0.7
458.73734	1.0
467.10391	0.9
468.10107	2.0
474.91116	0.7
494.26987	1.5
508.27124	2.4
530.38837	0.7
564.81006	1.5
614.60327	0.7
630.36340	3.2
630.85803	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01876	12.9
55.05511	30.7
57.03444	5.9
57.07071	8.0
58.07393	1.2
59.05001	11.3
65.03938	4.0
67.05505	80.7
68.05833	2.2
69.03419	3.2
69.07072	29.4
71.04971	4.5
71.08635	6.2
73.06565	1.7
75.04469	5.1
76.13568	1.1
77.03917	1.3
79.05494	49.9
80.05793	1.0
81.03408	4.1
81.07058	100.0
81.10261	1.1
82.07378	2.4
83.04986	8.8
83.08617	17.8
85.06554	5.9
85.10159	2.5
89.06049	6.3
91.05482	43.3
92.05807	2.6
93.07045	48.9
94.07371	2.7
95.04964	14.0
95.08608	66.2
96.08924	2.7
97.06520	14.6
97.10150	6.9
99.04433	1.4
99.08076	4.7
103.05460	1.7
105.04564	1.4
105.07034	44.7
105.26330	1.2
106.07352	1.7
107.04953	8.5
107.08593	34.0
108.08911	1.7
109.06525	12.9
109.10157	29.9
110.10434	1.1
111.04412	1.3
111.08080	6.2
111.11716	1.6
113.09671	1.5
117.07015	10.8
119.08587	40.8
120.08905	1.5
121.06501	4.7
121.10145	28.4
122.10461	2.5
123.08060	7.4
123.11702	12.8
125.06019	2.1
125.09636	6.6
127.07545	1.5
128.06200	2.6
129.06999	5.6
130.07829	1.4
131.08582	19.6
132.08942	1.2
133.06491	3.0
133.07677	1.2
133.08603	4.0
133.10127	28.2
135.08061	10.7
135.11702	11.6
137.09647	6.5
137.13264	2.7
139.07538	1.2
139.11160	1.9
141.06976	1.4
142.07750	1.5
143.08559	8.4
145.10118	21.7
146.10565	2.0
147.08041	4.2
147.11687	21.1
149.09630	16.8
149.13257	6.8
151.07483	1.9
151.11165	3.4
153.12782	1.4
155.08571	5.3
156.09329	2.1
157.10155	10.7
159.08113	2.1
159.11702	15.3
161.09598	3.9
161.13263	8.1
163.11179	11.8
163.14833	2.4
164.11513	1.7
165.07036	1.4
165.09079	1.9
165.12781	7.4
167.08522	1.2
167.10663	5.2
169.10136	3.8
171.11661	7.1
173.09645	2.2
173.11897	2.0
173.13258	10.3
175.11263	2.8
175.14781	4.9
177.11284	2.1
177.12785	2.8
179.14415	2.5
180.01332	1.4
181.10144	2.9
181.12233	5.3
183.11736	5.9
185.09633	1.3
185.13260	3.1
187.11200	2.4
187.14835	4.8
189.11266	1.4
189.12735	2.6
189.16380	2.0
191.14285	4.1
193.10210	1.5
193.12268	2.5
194.10796	1.7
195.11682	2.7
197.13249	4.4
199.11162	1.7
199.14754	2.2
201.12654	1.4
201.16422	1.7
203.14433	1.3
205.15910	3.8
207.11757	1.6
207.13660	2.1
209.13303	2.1
210.13733	1.4
211.11333	1.2
211.13142	1.6
211.14946	2.3
213.12778	1.4
213.16451	2.0
215.14334	3.5
215.17833	1.8
221.13400	1.7
221.15413	3.3
223.16927	3.9
227.12689	2.8
229.19559	3.5
233.15353	2.3
237.12724	1.5
237.16571	1.5
239.17992	2.8
245.22649	1.4
247.20636	2.7
257.19049	7.3
259.20761	1.1
261.22272	1.3
263.23544	2.7
267.15833	2.9
275.20078	48.8
276.20413	2.6
277.21494	2.2
278.00735	1.1
293.21136	5.5
313.21707	1.7
321.24197	1.5
331.22684	1.4
335.25806	6.1
336.26016	2.3
337.27383	34.1
349.23752	20.7
351.25122	2.6
367.25159	1.4
369.31586	1.2
407.29532	1.7
467.37833	1.3
519.42151	1.8
537.42480	3.4
597.39532	3.2
611.46765	36.8
612.46686	2.3
629.48065	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	629.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25246	3.7
53.03938	4.3
55.05500	14.4
57.07074	5.5
57.20996	3.3
59.04988	10.6
60.39083	3.8
62.96750	3.6
67.05506	22.4
67.32381	4.5
67.65666	3.4
69.07059	10.1
69.84565	20.4
71.04970	11.8
73.06546	8.2
73.95106	3.5
75.04482	16.0
79.05488	29.6
81.07060	38.9
82.55410	3.7
83.04991	8.4
83.08607	5.8
85.06088	5.5
85.06554	50.5
89.06001	8.4
91.05481	39.2
93.07044	36.6
95.04965	16.9
95.08638	25.1
97.06545	5.0
103.05447	5.9
105.06403	6.2
105.07044	64.2
107.08582	33.2
109.06520	30.4
109.10160	21.5
111.08084	53.7
115.05449	9.1
115.07561	10.6
117.07012	46.4
119.07811	7.0
119.08593	76.5
121.06493	5.8
121.10150	35.7
123.08075	16.9
123.11683	9.2
125.05996	5.3
128.06215	12.8
129.06981	14.2
130.07784	8.7
131.08566	39.0
132.09338	12.8
133.06505	5.5
133.10139	41.5
135.08104	20.6
135.11661	14.0
136.08871	4.2
137.09621	17.2
139.11125	8.0
141.09109	6.2
142.07764	18.0
143.08574	42.9
144.09354	9.4
145.10135	71.5
147.08025	12.1
147.11703	19.2
149.09621	33.2
151.11197	8.0
152.11952	7.1
155.08554	10.1
156.09361	9.1
157.10175	26.3
159.08047	5.6
159.11652	19.1
160.08821	5.4
161.09679	7.2
161.13237	10.6
162.10428	5.8
163.11200	11.8
164.11980	10.2
165.09164	5.0
165.12747	20.6
167.08667	5.4
168.09312	4.7
169.10123	21.9
170.10916	7.7
171.11653	15.5
173.09647	10.0
173.13278	12.4
175.11200	52.7
177.12689	9.0
179.08534	8.0
179.10713	4.9
181.10100	14.1
181.12276	8.3
182.10916	7.7
183.11665	14.1
185.13234	10.7
187.11203	6.2
189.12669	6.2
193.10167	8.4
194.10939	7.7
194.12962	10.3
195.11729	16.0
196.12494	4.5
197.13208	15.1
199.11287	6.8
199.14812	7.2
201.16328	4.7
203.14352	13.9
205.15813	4.9
206.11066	6.9
207.11681	12.8
207.13765	5.0
208.12405	7.3
209.13278	21.0
213.12767	5.7
215.14349	7.6
221.13434	6.9
221.15388	14.9
223.14812	8.7
225.16428	5.4
233.15356	7.2
235.14737	4.1
245.13153	4.1
247.14813	7.7
253.15915	4.7
255.17447	7.8
256.18307	51.7
260.17603	5.8
273.21780	3.9
286.19348	15.1
350.44373	3.5
408.30289	100.0
531.40240	8.3
597.42535	11.5
629.45721	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	628.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01872	0.8
55.05512	5.4
56.05853	0.5
57.03425	0.6
57.07080	34.8
59.05005	0.7
65.03942	0.8
67.05234	0.5
67.05520	5.5
68.05843	0.9
69.03416	0.5
69.07076	7.1
70.68713	0.8
71.04988	0.6
71.08637	30.2
73.06561	8.7
75.04477	1.0
79.05503	5.1
80.05826	0.8
81.07063	7.3
82.07393	0.9
83.04983	1.0
83.08629	6.1
85.06535	0.6
85.09667	0.7
85.10188	17.6
87.04471	6.8
89.06039	100.0
91.05472	3.3
91.07615	0.9
91.16680	0.4
92.05824	0.9
93.07053	4.6
94.07383	1.1
95.04966	2.4
95.08610	4.2
96.05299	0.8
96.08942	1.1
97.06528	0.9
97.10175	6.7
99.11739	2.8
105.07050	3.9
105.36481	0.4
105.86484	0.4
106.07396	0.9
106.40333	0.4
107.04985	0.5
107.07076	1.3
107.08591	3.3
108.08945	0.6
109.06545	0.7
109.10182	1.7
110.10533	0.7
111.04472	0.7
111.11728	3.1
113.13287	1.7
116.59137	0.4
117.06986	1.0
117.09154	6.5
119.08570	2.8
120.08940	0.7
121.06562	0.6
121.10143	2.2
123.11722	0.5
125.09662	0.9
125.13275	1.5
127.14850	1.7
129.07002	0.7
130.08681	3.9
131.07053	2.0
131.08597	1.5
132.08881	0.7
133.08612	55.2
133.10225	1.5
134.10524	0.6
135.10178	1.3
135.11699	1.9
136.12071	0.7
137.09583	0.5
139.14830	1.3
141.16415	1.0
143.08577	0.7
145.10173	1.5
147.11737	1.0
149.09689	1.1
150.09956	0.5
155.17944	0.5
157.10201	0.6
159.11748	1.3
160.12071	0.6
161.11786	2.2
161.13242	0.7
163.11211	1.1
170.10512	0.5
173.13287	0.6
175.09651	0.9
177.11240	23.8
180.61223	0.5
183.11687	0.7
197.22664	2.2
201.69191	0.4
221.13788	4.3
223.13362	2.1
224.13608	0.7
225.13364	0.4
225.36464	0.4
239.15082	0.8
239.17935	0.7
241.25264	3.1
265.16525	1.5
275.20163	2.3
276.20435	2.1
278.04562	0.5
278.07458	0.4
283.17413	2.7
285.27911	9.4
285.30835	0.8
293.21268	0.9
294.21494	1.0
309.19086	1.1
312.83395	0.5
327.20206	1.4
329.30539	4.6
335.25879	0.7
336.26208	1.2
349.23911	0.5
350.24091	0.6
371.22690	0.8
391.34003	0.6
415.25482	5.5
448.47049	0.6
523.42035	0.7
567.44879	1.1
610.45795	2.4
611.47369	10.8
628.47473	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.3
52.92838	1.3
53.03949	7.7
55.01877	15.8
55.05513	33.1
57.03440	6.5
57.07075	2.3
59.04987	1.8
65.03943	7.5
67.05508	83.8
69.03436	4.3
69.07070	28.5
71.04980	4.3
71.08637	1.8
73.06563	1.5
77.03919	2.1
79.05498	71.4
81.03435	2.6
81.07059	100.0
83.05010	7.9
83.08619	18.1
85.06544	2.3
91.04904	2.3
91.05483	50.0
93.07048	72.4
95.04977	9.4
95.08612	57.4
97.06534	20.5
97.10190	7.8
98.33923	1.3
99.08092	2.0
100.69657	1.3
103.05483	2.1
105.04510	2.1
105.07034	50.1
105.20094	1.2
107.04951	10.3
107.08598	42.5
109.06529	11.5
109.10163	27.0
111.08111	5.3
115.05499	2.2
117.07030	19.5
119.08592	43.1
121.06509	4.6
121.10150	30.4
123.08084	5.0
123.11703	11.6
125.09568	6.3
128.06233	1.5
129.07027	6.1
130.07816	2.1
131.08559	24.9
133.06540	1.9
133.10135	29.7
135.08069	6.1
135.11693	21.4
137.09624	4.7
137.13272	1.7
139.11192	2.9
141.07019	3.5
143.08568	8.4
145.06520	1.9
145.10127	25.7
147.11702	26.2
149.09642	15.5
149.13272	6.9
151.11185	2.9
155.08585	3.7
157.10141	9.8
159.11674	16.3
161.09669	2.5
161.13260	11.2
163.11221	10.7
163.14865	3.2
165.12785	4.5
169.10156	4.3
171.11656	8.3
173.09605	1.9
173.13272	10.9
175.11238	2.3
175.14842	4.8
177.12750	3.7
179.14351	2.3
181.10164	3.1
183.11749	4.1
185.13319	5.0
187.14865	4.7
189.11214	2.9
189.16394	2.2
191.14412	2.4
195.11729	2.1
197.13367	3.1
199.14871	2.7
201.16443	2.9
205.12355	1.3
205.15974	2.0
207.13733	1.5
211.14748	2.5
213.16426	3.2
215.18057	1.9
219.17621	1.6
227.12813	5.4
229.19580	4.2
239.18057	4.8
241.19644	1.5
243.16023	1.4
247.20837	2.1
249.22375	1.5
257.19031	9.1
259.20697	6.3
261.22253	6.4
275.20078	61.6
277.21481	3.0
293.21091	8.1
317.24780	2.3
331.22653	2.4
333.24484	2.5
335.25821	39.9
349.23767	28.7
351.25571	1.4
356.98425	1.3
376.48505	1.7
412.30243	1.4
515.37347	4.1
517.40698	3.0
529.39160	2.1
535.41553	4.1
553.41919	3.9
591.44275	2.3
609.45184	48.3
627.46228	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.5
55.01883	20.0
55.05268	3.1
55.05516	42.1
57.03443	12.4
57.07077	4.3
61.39108	1.5
62.80191	1.7
65.03953	4.5
67.05511	81.7
68.05846	3.0
68.47011	1.6
69.03440	4.5
69.07069	34.0
71.04998	6.2
71.08649	2.7
75.04482	3.6
77.03969	1.8
77.41155	1.5
79.05499	59.5
79.44910	1.7
81.03445	3.9
81.07061	83.7
83.04996	7.1
83.08626	19.0
85.06552	6.3
89.06020	2.1
91.05488	53.8
92.05836	1.8
92.30577	1.5
93.07049	58.6
94.07367	2.3
95.04979	12.3
95.08616	52.1
96.08986	1.9
97.06539	24.3
97.10196	10.5
99.08114	1.7
103.05484	2.0
105.04591	1.9
105.07041	51.8
106.07365	2.3
107.04964	10.9
107.08606	41.6
109.06547	6.7
109.10170	31.3
111.08099	5.6
115.05486	2.9
117.07030	22.0
119.08575	37.8
119.09356	2.5
121.06548	6.6
121.10152	28.1
123.08106	4.8
123.11725	10.4
125.09637	8.1
128.06252	3.8
129.07025	10.9
131.08575	35.7
133.10147	38.5
135.08070	4.5
135.11697	16.9
137.09656	4.8
137.13301	3.0
139.11211	3.4
141.07028	4.4
142.07805	3.7
143.08589	17.0
144.10573	1.7
145.10129	37.6
147.08089	2.2
147.11687	24.3
149.09637	23.6
149.13292	6.6
151.11238	3.7
155.08589	8.5
156.09276	2.0
157.10143	19.0
159.11688	23.5
159.12863	1.9
161.09657	2.4
161.13266	11.4
163.11195	13.2
163.14810	3.0
165.09084	2.3
165.12814	3.2
167.08664	4.1
169.10124	12.6
171.11713	14.6
173.11899	3.2
173.13254	15.2
175.11276	3.9
175.14908	7.4
177.12761	3.5
181.10229	4.5
182.10773	1.9
183.11681	14.4
185.13292	11.2
186.14011	1.8
187.14830	8.9
189.11270	3.9
189.12752	2.0
189.16393	3.2
195.11784	6.9
197.13280	9.9
199.14874	5.9
201.12659	2.1
201.16396	4.2
203.14481	2.4
207.11711	3.1
209.13336	4.4
211.14798	8.4
213.16451	5.5
215.17955	2.5
219.17561	1.8
221.13309	2.0
223.14915	3.4
225.16409	3.5
227.12871	5.7
227.18103	3.8
229.19551	3.9
231.17403	2.9
233.89590	1.8
235.15044	1.9
239.18141	4.8
241.19675	3.9
243.21346	2.7
249.16483	1.8
255.17465	2.1
257.19183	6.5
259.20801	3.4
261.22260	3.7
273.18652	2.8
275.20102	42.1
277.21637	2.8
285.22263	2.3
293.21252	4.0
317.24759	2.4
333.24573	3.0
335.25818	34.5
335.29837	1.9
349.23749	22.4
367.25217	2.1
367.29999	2.5
369.28137	2.0
423.32486	2.3
441.33762	2.0
497.36172	3.1
513.39612	2.0
515.37341	20.0
517.40387	6.7
529.39081	2.5
535.41931	11.6
543.62561	1.8
553.42542	10.9
575.58258	1.7
591.44019	3.6
609.45074	84.6
610.45258	2.9
627.46191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.0
55.01878	24.9
55.05271	1.8
55.05518	26.7
57.03440	11.4
57.07080	2.5
59.05001	2.3
65.03938	5.6
67.05510	91.1
67.35894	1.2
69.03420	3.0
69.07071	41.5
69.92827	5.3
71.04992	3.8
71.08621	1.5
73.06553	1.8
75.04475	3.1
79.05499	64.1
81.03410	8.7
81.07060	96.9
83.04982	8.2
83.08630	11.1
85.06540	5.1
90.85220	1.2
91.05488	72.2
92.94309	1.1
93.07049	68.3
95.01330	9.7
95.04973	16.4
95.08610	61.4
95.79865	1.2
97.06535	37.0
97.10167	4.4
98.21535	1.6
99.08086	2.9
100.48216	1.2
103.05470	2.9
105.04530	3.1
105.07037	81.3
107.04964	17.3
107.08596	37.1
109.06528	12.8
109.10163	19.7
111.08083	4.9
115.05449	1.5
117.07018	20.4
119.04938	1.3
119.08594	49.4
120.46593	1.3
121.06517	4.2
121.10152	29.8
123.04382	2.3
123.08083	7.5
123.11696	4.5
125.09637	3.7
129.07007	4.9
130.07866	1.5
131.08585	31.6
133.06563	2.0
133.10136	43.7
135.08084	7.0
135.11705	17.1
137.09596	7.0
137.13283	2.5
139.11208	1.6
141.07018	2.7
142.07805	1.5
143.08557	6.9
145.06551	2.0
145.10121	24.5
147.08011	2.3
147.11700	22.5
149.09627	8.0
149.13275	8.7
151.11168	3.7
155.08578	3.8
156.09489	1.6
157.10107	6.2
159.08115	1.5
159.11690	17.8
161.09557	1.4
161.13271	7.4
163.11192	8.0
163.14891	3.5
165.09123	1.7
165.12755	2.8
169.10132	4.6
171.11726	5.4
173.13297	7.8
175.11221	3.0
175.14870	3.7
177.12732	7.2
179.14340	15.8
180.09090	1.3
183.11693	5.2
185.13297	2.6
187.11179	5.0
187.14880	3.5
189.12689	2.0
193.12274	1.5
197.13286	4.5
199.14745	1.7
201.12836	1.7
201.16530	1.5
209.13300	1.7
213.12790	1.3
215.17824	1.4
219.17406	3.3
229.19565	1.8
239.17900	2.6
247.20570	3.8
257.18997	7.6
261.22137	3.2
273.18674	3.0
275.20078	96.2
276.20532	1.9
291.19540	4.2
293.21146	11.1
317.24982	2.5
335.25809	100.0
349.23749	34.1
529.39038	2.3
595.41315	1.7
609.45178	94.1
610.44788	1.9
616.27386	1.6
627.46832	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	627.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90418	0.1
55.01869	0.2
57.03422	0.5
61.02928	4.6
65.03931	0.3
68.99794	0.4
69.03438	0.8
70.06573	0.6
71.01362	0.1
71.04986	0.3
71.51502	0.1
71.51935	0.2
72.08131	0.2
73.02927	1.0
81.03411	0.5
85.02907	4.9
91.03509	0.2
91.03964	2.3
95.04967	0.1
97.02895	2.2
99.04429	0.2
105.29263	0.2
109.02861	0.5
111.00795	0.9
121.02849	0.7
123.04416	0.2
124.02023	0.1
127.03919	0.9
137.02344	2.7
137.03391	0.1
139.03900	0.3
145.04956	0.6
147.04341	0.2
149.02342	0.5
153.01851	2.9
157.06482	0.2
161.06001	0.2
163.03957	0.7
165.01837	1.9
173.05963	0.3
181.05014	0.2
183.02841	0.7
183.04303	0.2
195.02919	0.2
198.13071	0.1
201.05476	1.0
205.04822	0.2
207.02852	0.1
215.03381	0.2
219.06691	0.2
229.04968	3.3
247.06041	0.6
257.04471	2.0
274.04749	0.8
285.03964	1.0
303.04990	100.0
304.05240	0.7
319.04584	1.5
345.05814	0.3
366.62527	0.1
465.10300	12.2
481.10477	0.3
599.67474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
56.05027	0.3
57.03421	0.7
60.25530	0.2
61.02932	7.6
68.99780	0.7
69.03419	1.0
70.06604	2.4
71.04979	1.2
71.52309	0.3
71.52730	0.4
72.08157	0.5
73.02646	0.2
73.02924	2.5
81.03408	0.9
84.04494	0.4
84.08141	1.2
85.02909	9.8
86.09693	1.2
91.03424	0.4
91.03963	5.6
95.40751	0.3
97.02901	4.3
97.25024	0.3
99.04471	0.4
101.02373	0.5
109.02880	0.9
110.07164	0.3
111.00871	0.5
115.03918	0.5
120.08109	0.4
121.02859	0.8
123.04417	0.5
127.03924	2.7
129.10234	0.7
136.07594	0.4
137.02351	3.0
140.25542	0.3
145.04976	3.1
153.01843	4.0
155.04903	0.4
163.03871	0.3
163.06004	1.9
165.01837	2.1
173.05983	0.4
183.02904	0.8
201.05467	1.2
229.05002	3.7
239.90291	0.4
245.04485	0.5
247.06068	0.6
257.04510	2.9
273.03864	0.3
274.04626	0.8
275.05478	0.3
285.03894	1.0
303.05002	100.0
304.05334	0.4
315.04990	1.4
319.04517	7.6
327.05072	0.5
328.28543	0.3
339.04913	0.4
341.06424	0.3
345.06061	1.7
369.06009	1.0
429.07803	0.6
465.10300	2.4
481.09692	2.8
627.06726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01865	2.5
55.05507	13.8
57.03426	4.4
57.07074	13.1
57.36380	2.0
59.04990	3.5
60.04504	3.2
61.02901	2.1
67.05501	17.5
69.03429	17.3
69.07069	68.8
69.58686	8.9
70.06329	1.8
70.06596	19.6
71.05000	6.0
71.08624	2.6
72.08144	9.0
73.02889	3.6
74.06068	2.3
79.05494	11.1
81.03417	10.2
81.07059	100.0
83.04978	6.5
83.08625	16.1
84.04498	4.7
84.08135	14.9
85.02900	21.7
85.06541	20.2
86.09695	16.2
87.00830	6.5
91.05477	7.8
93.07042	34.3
95.04959	5.2
95.08602	51.5
97.02906	10.1
97.06539	10.1
97.10156	3.6
99.04467	6.0
99.08092	10.8
101.06069	2.3
101.93017	1.8
102.05585	2.1
105.01847	8.2
105.07046	12.6
107.05000	2.0
107.08591	29.2
109.02867	8.9
109.06503	7.8
109.10156	39.6
110.07171	4.3
111.08070	19.4
111.11712	14.8
113.06004	2.7
113.09644	3.0
119.08586	8.1
120.08116	8.1
121.06566	2.4
121.10138	15.7
123.08086	2.5
123.11709	98.5
125.09661	2.7
125.13264	3.1
127.03922	11.4
127.11205	19.6
129.10281	9.6
129.12723	2.1
131.08548	2.0
133.10141	6.6
135.11681	20.1
136.07616	2.6
137.13264	23.0
139.11223	3.7
145.05020	3.2
145.10124	6.1
147.11684	8.2
149.13274	7.0
151.11198	4.6
151.14781	2.5
153.12738	36.2
155.14232	2.5
159.11726	7.5
161.13257	4.9
163.11227	4.2
163.14827	2.3
165.12802	9.5
171.13754	12.1
173.13109	2.4
175.14691	2.6
183.13699	3.1
185.02992	2.1
187.14885	3.0
193.16002	2.7
217.85695	2.4
219.17528	2.8
237.18486	19.7
255.19495	11.5
277.25262	12.8
289.25293	15.0
295.26270	30.9
307.26303	79.0
313.27478	13.9
325.27350	65.0
343.28424	69.6
434.82166	2.4
455.64993	2.1
537.30475	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	626.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01867	4.9
55.05514	16.2
57.07080	10.3
60.04475	2.8
60.12422	2.5
67.05515	17.6
67.20201	2.5
69.03421	13.8
69.07072	100.0
70.06595	41.5
71.04989	5.4
71.52492	3.0
72.08165	20.3
79.05517	5.9
81.03416	12.2
81.07061	75.6
83.04979	6.7
83.08618	14.4
84.04503	10.5
84.08144	34.9
84.15723	3.0
85.02918	22.4
85.06561	10.0
86.09711	31.2
87.00840	8.3
91.05460	5.7
93.07043	20.1
95.04986	6.2
95.08608	55.0
97.02896	6.9
97.06548	11.4
97.10178	4.0
99.04469	2.6
99.08102	8.5
101.06014	4.0
102.05564	3.7
105.01860	7.5
105.07037	8.1
107.08614	19.3
109.02907	8.5
109.06515	3.3
109.10163	35.6
110.07167	9.0
111.08075	13.5
111.11739	34.7
113.06030	3.2
115.08716	3.9
119.08587	6.7
120.08122	16.7
121.10154	18.4
123.08115	3.0
123.11711	50.7
125.09630	4.7
127.03914	10.2
127.04874	2.5
127.11192	21.2
129.10269	22.1
133.10146	7.0
135.11688	12.2
136.07561	9.3
137.13274	10.9
139.11176	23.6
145.04999	4.2
145.10109	5.9
147.11806	6.8
149.09578	3.6
149.13289	8.1
151.14845	5.3
153.12759	15.0
157.12270	7.9
159.02992	3.1
159.11737	5.9
161.13307	6.9
163.14853	4.3
165.12766	7.4
171.13805	4.4
237.18613	17.4
239.11705	2.9
245.22893	3.7
250.22086	3.0
255.19588	13.2
265.12280	4.2
277.25427	4.1
281.24957	4.8
289.25333	7.9
295.26321	38.2
306.25266	4.4
307.26321	56.0
313.27408	4.6
324.26123	5.3
325.11887	12.8
325.27399	92.3
343.12906	7.0
343.28455	37.4
386.94073	3.0
424.08353	3.0
433.29385	3.3
543.31482	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	626.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01881	5.2
55.05515	1.1
56.05038	2.7
57.03437	3.9
60.04523	1.1
61.02918	3.0
68.05004	1.0
68.99768	1.4
69.03437	19.7
69.07059	1.1
69.87065	2.4
69.87469	3.3
70.06593	19.8
71.01368	0.9
71.04986	3.2
71.06937	1.2
72.08158	6.0
73.02917	3.8
74.06078	2.7
79.05485	2.1
81.03423	16.4
81.07043	2.2
83.04992	1.2
84.04499	7.7
84.08148	15.4
85.02909	48.5
85.08477	1.7
86.09710	16.6
87.00317	1.2
87.00836	20.1
87.05601	1.7
91.03918	1.0
91.05485	7.9
94.04194	1.1
95.04958	3.4
97.02898	18.3
99.04455	7.8
101.02368	1.0
101.07144	2.2
102.05556	2.7
103.05470	3.4
105.01865	17.2
105.07008	2.4
107.04951	2.6
109.02237	1.4
109.02895	14.7
109.06527	2.8
110.07176	3.0
111.04438	1.3
115.03932	3.3
115.05447	1.2
117.01871	2.8
118.80825	0.9
119.04947	5.8
119.08608	1.0
120.08128	7.0
121.06526	2.3
122.03660	3.8
123.08032	1.1
127.03923	26.8
129.01932	2.4
129.07008	3.2
129.10242	10.6
131.04918	2.6
131.11804	1.3
133.06226	1.9
135.08154	1.6
136.05197	1.3
136.07574	2.7
137.05988	59.9
143.04945	1.4
145.04968	10.2
147.02957	1.1
149.05948	5.8
151.03922	5.9
151.07550	46.6
157.06493	4.2
159.02936	9.7
161.05984	9.9
161.09645	2.1
163.07547	16.0
165.06935	1.2
165.09195	1.5
167.07150	1.2
167.08559	3.5
174.06824	2.3
175.07544	9.7
177.09106	14.0
181.06445	1.4
187.07526	2.3
189.09129	15.2
191.85789	1.1
193.06450	1.9
193.10191	1.7
195.08040	6.5
195.10159	3.4
196.08641	1.2
197.06065	1.2
199.07567	1.2
201.09129	2.0
203.06970	2.4
207.10197	2.9
209.07977	2.5
209.09802	1.3
212.08220	1.1
213.09068	2.1
215.07068	1.2
217.08170	1.6
219.05022	1.8
219.08156	1.1
219.10199	3.3
221.05928	3.3
221.09573	2.7
221.11745	2.3
223.07626	3.0
224.08270	1.7
225.09103	2.9
227.10666	12.7
231.05008	4.5
233.09598	1.4
235.07458	1.7
237.09154	2.4
239.10654	1.6
240.07916	2.0
241.08672	1.5
241.12390	1.1
245.07704	1.2
247.07544	1.7
249.08990	2.3
249.11224	4.3
253.08646	5.7
253.12294	7.3
255.10208	13.2
261.11328	2.5
265.08691	2.4
267.10184	2.9
269.08115	1.9
273.11374	1.3
277.08633	1.6
279.10101	1.7
281.08301	1.6
281.11758	2.9
284.10495	1.6
285.11267	8.8
287.12827	20.0
291.09973	2.1
293.11768	2.3
297.11182	5.7
299.12894	9.7
305.11789	1.5
309.11191	2.7
311.12799	13.5
313.14325	15.8
315.12369	1.3
317.11469	1.0
321.11188	1.9
323.12970	2.8
325.14331	2.0
331.15414	100.0
335.12808	1.9
337.14377	2.0
341.13861	3.6
343.15436	32.3
353.13849	2.2
355.15445	10.6
361.14514	1.9
365.13763	1.6
367.15384	5.9
379.15234	1.7
385.16364	2.0
389.13983	1.1
397.16553	7.3
403.15451	4.0
419.13333	1.8
421.16434	12.1
437.14297	1.7
439.17627	6.0
468.86102	1.0
507.16061	1.3
525.17505	4.7
543.18823	9.7
561.19672	5.5
579.20685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01869	1.9
55.05503	1.0
56.05028	2.7
57.03437	1.4
60.04522	1.2
61.02923	1.0
67.05505	1.6
67.82050	0.6
69.03439	5.4
69.03756	0.9
69.07059	0.7
70.06597	20.7
71.04996	1.0
71.52437	0.8
72.08167	5.6
73.02914	2.0
74.06085	1.8
79.05507	0.9
81.03432	5.5
84.04498	4.4
84.08147	11.8
85.02914	13.0
86.06053	0.9
86.09710	6.2
87.00851	4.3
88.03992	0.7
91.05468	2.8
96.16240	0.6
97.02888	5.7
99.04456	2.1
102.05542	1.6
105.01910	3.6
109.02875	4.5
110.07166	4.1
113.07085	0.8
115.03902	1.9
115.05459	1.0
115.08700	1.3
120.08102	3.1
123.68393	0.6
127.03913	8.5
128.06204	1.2
129.07057	3.9
129.10248	8.7
131.04892	1.2
131.08553	5.5
136.07578	2.8
137.06001	6.0
141.07005	3.6
143.04941	1.0
143.08647	0.9
144.05704	0.8
145.04953	3.0
145.06505	0.9
147.04431	1.0
151.03978	1.5
151.07538	1.1
157.06482	4.9
158.07309	1.0
159.02914	1.9
159.08086	5.3
161.04512	1.2
161.09625	0.8
163.07503	0.8
168.83902	0.7
169.06445	1.7
169.13188	0.7
170.07234	1.0
171.08022	1.5
174.06776	11.3
175.07510	4.1
186.06808	2.9
187.07555	1.1
188.08369	1.2
189.09119	24.4
191.10684	1.9
197.13005	0.7
201.03986	0.7
201.09113	8.9
203.10683	10.4
217.08260	1.5
219.10176	100.0
220.10410	1.0
221.11722	1.3
231.04982	1.9
237.11281	1.1
247.04514	1.4
325.14435	0.9
346.70239	0.8
413.87292	0.8
467.15427	1.6
626.24670	1.8
626.33722	1.1
645.07697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.3
53.03936	3.7
55.01882	8.4
55.05512	29.0
57.03447	6.4
57.07068	3.3
59.03023	1.0
65.03943	2.5
67.05510	53.9
69.03426	4.6
69.07073	24.9
69.10202	1.1
71.05009	5.8
71.52764	1.3
76.06740	0.9
77.03937	1.4
79.05499	39.9
81.03423	4.0
81.07062	55.7
83.04982	7.1
83.08621	14.6
85.02911	1.6
85.06536	3.2
91.05486	40.1
93.07052	45.1
95.04967	7.4
95.08607	36.4
97.02881	1.7
97.06543	11.8
97.10180	9.1
99.08115	2.0
103.05467	1.6
105.04507	1.2
105.07037	35.0
107.04950	5.1
107.08601	26.8
109.02895	2.0
109.06532	5.9
109.10158	18.5
111.04443	1.1
111.08086	5.0
115.05461	2.7
117.07029	17.8
119.08586	30.9
121.06543	3.6
121.10145	18.1
123.08073	3.3
123.11712	11.0
125.06010	1.4
125.09630	8.0
128.06200	5.3
129.07014	15.1
130.07835	1.7
131.08574	25.4
133.06459	1.6
133.10136	22.7
135.08069	4.4
135.11700	10.4
137.09601	3.5
139.11179	2.4
141.06958	6.8
142.07779	4.9
143.08597	17.6
145.06541	2.1
145.10123	24.5
147.04381	1.0
147.08075	2.8
147.11700	11.6
149.09657	5.8
149.13237	7.0
151.11220	2.0
153.07019	1.8
153.09175	1.2
154.07779	1.4
155.08553	10.1
156.09412	1.7
157.10132	20.4
159.08092	1.8
159.11716	19.3
159.12982	0.8
161.09622	1.9
161.13271	8.7
163.11186	4.5
163.14902	1.3
165.07053	2.1
167.08583	5.1
168.09317	1.8
169.10120	15.0
170.10864	1.7
171.08064	1.0
171.11688	13.5
173.09641	2.3
173.11845	1.4
173.13240	11.6
175.11179	1.4
175.14845	4.3
177.12807	2.8
179.08595	3.3
179.14354	1.3
181.10172	7.1
182.10995	1.2
183.11708	17.2
185.09712	1.4
185.13272	11.2
187.11221	1.3
187.13419	1.3
187.14796	5.4
189.11232	3.8
189.12779	1.3
189.16434	1.2
191.14337	1.6
193.10182	4.3
194.10973	1.1
195.11723	7.8
195.13576	1.8
196.12476	1.3
197.13271	10.7
199.11244	1.7
199.14809	8.8
201.12775	2.0
201.16466	3.6
203.14371	1.2
205.15891	1.5
207.11726	4.3
207.13521	1.0
209.13271	7.8
211.11319	1.2
211.14841	7.4
213.13033	1.5
213.16487	5.1
215.18095	1.4
221.13332	3.6
223.14857	4.3
225.16473	5.7
227.12669	5.2
227.18056	2.9
233.13268	1.2
235.14818	3.0
237.16438	4.1
239.17938	5.0
241.19611	5.7
243.16003	3.2
249.16502	2.4
251.18008	2.5
253.19693	2.4
255.17506	1.3
257.19006	4.8
259.20676	6.3
265.19556	2.0
267.21136	1.4
269.17633	3.9
273.18661	2.7
275.20096	11.9
276.20743	1.2
277.21857	1.2
279.21335	1.4
297.22119	1.2
309.22180	1.5
311.23477	1.3
315.23282	2.3
325.21649	1.2
325.25143	1.1
331.22754	1.3
333.24414	5.7
341.24979	1.8
349.23779	5.4
353.24765	1.7
365.28461	6.3
367.26065	1.5
367.99350	1.1
377.28439	1.4
381.27536	1.6
381.31952	2.4
383.29379	2.4
395.29764	1.3
417.32529	1.0
421.30963	3.0
433.30795	1.0
439.32159	3.2
445.30655	1.7
459.32999	1.1
463.30774	6.2
495.34793	3.0
497.37714	1.6
499.34671	1.2
513.35730	12.1
515.38879	6.8
527.37451	1.5
533.39905	13.5
550.94543	1.1
551.41254	7.6
567.40399	1.4
571.41992	1.2
589.42969	3.8
607.34973	3.3
607.43524	51.6
625.44647	100.0
626.44916	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76160	0.8
53.03939	4.9
55.01876	9.9
55.05516	27.2
57.03436	5.9
57.07072	2.5
64.27483	1.0
64.46275	1.0
65.03941	2.5
67.05509	48.1
69.03425	2.8
69.07072	28.2
71.04998	4.0
71.08635	1.6
73.14686	0.8
79.05499	35.7
81.03430	1.6
81.07060	52.6
82.54340	0.9
83.04979	4.9
83.08619	12.3
85.06524	2.2
91.05487	37.8
92.32221	1.0
93.07051	32.9
93.07642	1.7
95.04962	5.3
95.08613	36.4
97.06541	9.8
97.10171	7.5
99.08081	1.8
103.05527	1.2
103.77282	0.9
105.04578	1.1
105.07035	35.9
107.04947	2.9
107.08601	22.0
109.06537	4.7
109.10164	16.1
111.08111	2.4
115.05481	2.7
117.07013	16.7
119.08588	33.5
121.06506	2.5
121.10149	14.4
123.08093	2.0
123.11711	6.5
125.09655	5.3
128.06258	3.9
129.07010	15.3
130.07843	2.2
131.08575	25.3
131.09535	1.5
133.06490	1.6
133.10135	26.2
133.11090	1.6
135.08089	3.2
135.11703	9.0
137.09689	3.0
139.11243	1.8
141.06956	5.8
142.07793	4.1
143.08568	17.3
143.47131	0.9
145.06494	1.6
145.10141	24.5
147.08037	2.5
147.11708	14.1
149.09593	6.6
149.13287	4.2
151.11182	2.5
153.07008	1.4
154.07771	2.0
155.08565	10.6
156.09425	1.6
157.10138	20.6
159.08038	1.9
159.11681	17.2
161.09624	2.1
161.13246	7.3
163.11203	2.9
165.12752	2.3
166.07788	1.2
167.08559	4.2
168.09418	3.5
169.10138	14.8
171.08090	1.4
171.10251	1.9
171.11684	16.7
173.09637	1.3
173.11832	1.1
173.13248	10.6
175.11206	1.9
175.14871	3.5
177.12802	1.4
179.08595	2.2
179.14369	1.0
180.09373	1.3
181.10156	8.2
182.11040	1.1
183.11696	13.7
185.13292	10.5
187.11243	1.9
187.13295	1.7
187.14757	5.3
189.11230	1.6
189.12794	1.7
189.16425	2.3
191.14333	1.2
193.10162	3.8
194.79437	0.9
195.11713	9.0
197.09669	1.4
197.13277	11.2
198.13881	0.9
199.11281	1.7
199.14822	5.7
201.12744	2.1
201.16481	2.7
203.14227	1.1
207.11780	3.4
209.13226	6.5
211.14828	7.6
213.12910	1.9
213.16425	3.8
215.14299	1.3
215.17911	1.8
219.11768	1.5
221.13379	2.6
223.14912	5.9
223.16843	1.3
225.16466	3.4
227.12836	3.5
227.18028	2.5
229.14397	1.7
229.19576	2.2
231.17522	1.3
235.14973	2.4
237.16455	3.5
239.18019	3.7
241.19624	4.3
243.15883	1.3
249.16554	1.9
251.17958	2.7
253.19731	1.5
255.17392	1.1
257.18939	4.2
259.20575	5.8
263.18045	1.3
265.19638	2.4
267.21048	1.4
273.18634	2.3
275.20190	8.6
277.21777	1.5
279.21109	1.4
295.20462	1.0
297.22058	1.5
309.22198	1.0
311.23572	1.1
313.21729	1.9
315.23169	2.5
323.23810	2.0
327.23291	1.4
329.25076	1.2
333.24454	4.6
337.25278	1.1
341.24985	1.5
349.23709	5.9
363.26828	2.0
365.24451	1.3
365.28510	3.8
367.26193	1.4
379.30139	1.9
381.31760	1.3
383.29413	1.6
389.27423	1.1
403.30273	1.0
407.29205	1.0
421.31125	3.4
423.32489	1.3
439.32291	2.8
445.31400	1.1
481.32745	1.3
495.34778	2.6
497.37183	2.1
499.34445	1.0
505.40833	1.0
511.37970	1.1
513.35773	19.4
514.36182	1.1
515.38660	8.2
527.37256	2.5
533.39850	12.6
551.40985	9.4
555.37317	1.9
589.42645	3.0
597.45740	1.3
607.43573	54.6
625.44635	100.0
626.44836	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01876	14.5
55.05272	1.6
55.05514	22.2
57.03439	6.0
57.07071	3.1
59.04977	1.5
65.03930	2.9
67.05507	45.6
69.07071	36.7
71.04996	3.2
79.05495	41.0
81.03425	2.8
81.07059	54.6
83.04983	6.3
83.08630	12.3
85.06544	2.9
91.05482	39.2
93.07050	35.9
94.07322	1.0
95.01346	1.4
95.04975	9.4
95.08612	32.6
97.06533	16.1
97.10168	5.0
99.08123	2.6
105.04524	2.1
105.07030	37.5
107.04964	8.7
107.08593	23.2
109.05894	0.9
109.06527	6.9
109.10166	14.0
111.04482	1.8
111.08086	3.4
115.05451	2.6
117.07021	14.6
119.08583	29.2
121.06497	5.3
121.10147	16.6
123.08087	4.2
123.11732	3.2
125.09644	4.7
128.06229	3.9
129.07011	13.0
130.07832	1.1
131.08580	25.9
133.06494	2.7
133.10133	24.4
135.08075	4.5
135.11694	10.3
137.09648	3.4
139.11282	1.0
141.06989	6.0
141.47031	1.1
142.07826	2.9
143.08559	16.5
144.09317	1.7
145.06471	3.0
145.10124	23.3
147.08063	5.1
147.11697	13.9
149.09636	6.3
149.13289	5.4
151.11133	1.5
152.04610	1.0
155.08582	8.5
157.06612	1.3
157.10133	12.7
159.08075	2.4
159.11679	17.0
161.09619	5.8
161.13249	9.5
163.11235	4.9
163.14879	1.4
165.09174	1.6
167.08556	4.4
169.10126	9.5
170.10901	1.0
171.08083	1.1
171.10289	2.1
171.11691	14.0
173.09634	1.7
173.13275	9.0
175.11234	2.8
175.14876	4.6
177.12814	2.7
179.14346	2.0
180.09404	1.6
181.10138	5.8
183.11694	8.3
185.13223	10.0
187.11241	2.3
187.14848	4.9
189.12831	1.4
191.14148	1.4
193.10149	2.3
195.11710	6.5
197.09654	1.6
197.13309	7.7
199.11172	2.0
199.14787	5.9
201.12953	1.3
201.16489	2.4
203.14401	1.4
205.10091	1.4
207.11711	2.0
209.13278	4.5
211.14873	4.4
213.12766	1.5
213.16435	3.5
215.14438	1.6
215.17967	1.4
221.13333	2.6
223.14888	4.0
225.12888	1.3
225.16467	2.6
227.12709	1.3
227.18015	1.2
229.19522	1.7
231.21193	1.7
235.14857	2.1
237.16397	2.9
239.18001	3.1
241.19569	7.6
245.19150	2.0
249.16379	1.2
251.17818	1.7
255.17500	1.9
257.19031	5.0
259.20581	11.0
261.22260	3.0
263.20264	1.3
265.19614	1.5
267.21207	1.6
271.20773	1.4
273.18518	16.1
275.20120	17.7
289.21542	1.4
291.19565	7.7
293.21262	3.3
297.22147	1.5
309.22165	1.2
313.21631	1.7
315.23264	3.1
333.24231	9.8
335.25955	4.9
347.22128	5.4
349.23724	11.1
435.32745	3.4
437.34329	4.3
475.36105	1.3
493.37149	1.6
499.34482	1.5
501.36246	1.7
511.38232	5.1
513.35712	6.5
515.38666	3.9
527.37518	4.4
529.38885	2.6
533.39783	8.1
551.41034	4.2
555.36877	1.9
556.37543	2.5
589.42267	1.9
597.45001	2.4
607.43597	42.0
625.44647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.50441	0.8
55.01871	5.7
55.05515	22.8
57.03447	3.9
57.07080	2.6
59.05007	0.8
61.06172	0.8
65.03935	2.7
67.05511	36.3
69.03436	1.7
69.07074	17.1
71.04994	2.8
77.03983	1.0
79.05500	24.8
81.03429	1.0
81.07062	37.1
82.02990	0.8
83.04989	4.8
83.08625	12.4
85.06553	2.4
85.69986	0.9
90.48479	0.8
91.05491	22.5
93.07052	23.4
93.07642	1.2
95.04988	3.4
95.08617	20.8
95.09182	1.5
97.06537	6.0
97.10184	10.7
98.21509	2.7
103.05429	1.1
105.04546	0.9
105.07039	23.6
107.04987	2.7
107.08604	17.7
109.06550	3.4
109.10159	12.7
111.08114	2.9
113.09706	1.0
115.05473	2.5
116.06235	1.2
117.07029	12.0
119.08595	18.1
121.06506	1.9
121.10155	9.2
123.08099	2.6
123.11714	10.2
125.09645	8.9
128.06253	3.5
129.07024	13.3
131.08578	17.4
133.10141	16.1
135.08051	1.9
135.11682	5.7
141.06996	5.9
142.07816	3.0
143.08578	18.1
144.09325	1.0
145.06514	1.1
145.10136	17.0
147.08121	0.9
147.11722	9.6
149.09554	4.1
149.13324	2.6
151.11223	1.1
153.07053	2.0
153.09164	0.9
154.07787	1.3
155.08557	10.3
156.09387	2.0
157.10117	16.9
157.11296	1.0
159.08101	1.7
159.11707	11.6
161.09703	1.1
161.13245	5.3
163.11259	3.0
163.14871	1.6
165.07004	1.4
166.07686	1.0
167.08632	4.8
168.09387	2.3
169.10149	14.8
171.11679	15.6
173.11920	1.2
173.13297	8.6
175.11229	1.5
175.14870	2.7
177.12785	1.4
179.08643	2.5
179.14397	1.4
180.09364	1.0
181.10126	7.0
182.10872	1.5
183.11711	13.7
184.12460	1.2
185.13242	9.3
187.11263	1.6
187.13329	2.7
187.14899	4.2
189.11285	3.5
189.12814	1.6
193.10162	2.5
195.11746	7.1
196.12518	1.2
197.13300	11.7
197.15112	1.2
199.11310	1.2
199.14813	6.6
201.12769	1.2
201.16486	1.9
207.09937	0.8
207.11768	3.6
207.13751	1.5
209.13257	6.5
210.14194	1.1
211.14856	8.2
213.16446	3.8
215.18091	1.0
219.11789	1.0
221.13356	2.2
223.14902	4.1
225.12907	1.3
225.16342	5.0
227.12730	4.3
227.18015	3.2
229.14294	1.0
229.58900	0.9
235.14899	2.6
237.16376	5.0
239.18034	3.1
241.19591	4.1
243.16020	3.3
247.20880	1.1
249.16504	1.6
251.17990	2.9
253.19633	3.0
257.19019	2.2
259.20715	2.9
265.19650	1.6
267.21155	1.0
273.18561	1.9
275.20135	4.4
283.20587	1.0
295.20541	1.8
297.22250	1.2
309.22403	0.9
315.23260	1.5
321.22333	1.2
325.21735	0.8
325.25217	1.0
327.23090	0.9
331.22818	1.0
333.24536	4.2
341.24741	1.1
349.23886	2.4
353.24911	1.2
363.26770	2.0
365.28458	8.3
377.28616	1.1
379.30139	1.4
381.31821	2.5
383.29483	2.4
395.29379	1.3
407.29169	1.0
421.31046	3.3
423.33270	0.9
439.32220	4.3
445.55594	1.0
473.35052	0.9
481.33847	0.9
495.34854	1.4
513.35748	12.4
515.39185	7.8
527.37256	1.4
533.39862	8.6
551.40857	5.1
555.36865	1.6
589.42389	3.2
607.43561	37.2
608.44824	0.9
625.44690	100.0
626.45038	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.1
55.01872	26.5
55.05513	26.1
57.03440	8.6
57.07078	2.6
59.05016	1.6
65.03946	3.4
67.05505	52.4
68.47971	1.1
69.03421	1.9
69.07070	53.7
71.04981	3.1
71.08604	1.3
77.03949	1.6
79.05495	41.7
81.03429	4.4
81.07063	61.0
83.05003	8.3
83.08623	10.8
85.06535	3.1
91.05486	51.3
93.07046	40.5
93.87010	1.0
95.01330	3.1
95.04971	10.7
95.08614	40.1
97.06538	31.5
97.10162	6.0
99.08104	4.5
103.05479	2.0
105.04535	1.8
105.07034	62.9
107.04960	13.7
107.08598	25.4
109.06548	5.8
109.10159	14.8
111.08095	3.7
111.11731	1.2
112.31066	1.4
113.09708	1.1
115.05492	2.2
117.07019	22.6
118.07829	1.6
119.08582	42.5
121.06516	4.0
121.10141	18.2
123.04484	1.4
123.08096	5.0
123.11727	3.6
125.09643	4.9
128.06232	4.2
129.07016	14.5
130.07764	1.9
131.08569	34.5
133.06517	2.1
133.10141	34.6
134.95453	1.1
135.08066	3.1
135.11714	10.2
137.09628	3.1
139.07591	1.5
139.11211	1.4
141.07008	5.7
142.07811	2.5
143.08577	18.1
145.06476	2.5
145.10133	27.2
147.08086	3.9
147.11688	23.3
149.09589	7.3
149.13229	5.8
151.11238	2.7
155.08562	11.0
156.09300	2.4
157.10115	16.4
159.08121	2.5
159.11703	23.3
161.09648	4.2
161.13269	16.6
163.11157	5.5
163.14879	2.5
167.08574	5.2
169.10130	13.0
171.08086	1.6
171.10222	2.3
171.11649	18.1
172.45204	1.1
173.09619	2.0
173.13248	15.9
175.11214	2.0
175.14828	8.2
177.12759	2.6
179.08574	2.8
179.14355	4.4
181.10115	8.4
182.10979	1.4
183.11688	11.6
185.09584	1.6
185.13281	12.6
187.11217	4.5
187.14795	5.6
189.12810	2.5
193.10141	2.5
195.11697	6.4
197.13257	10.6
199.11205	2.0
199.14844	8.9
201.16440	2.2
207.11768	1.7
209.13286	5.6
211.14812	5.1
213.12830	1.8
213.16409	5.0
215.18022	2.4
217.15907	1.0
217.19571	2.3
219.17508	1.4
221.13322	2.1
223.14879	3.7
225.16437	4.0
227.18060	2.3
229.19492	1.3
229.54463	1.3
231.17497	1.6
231.21068	3.1
235.14952	2.1
237.16437	3.5
239.17990	5.2
241.19543	13.5
243.21330	1.1
251.18105	2.1
257.19040	7.0
259.20581	17.9
269.18973	1.0
273.18451	12.8
275.20093	38.5
279.16031	1.7
279.21060	1.3
283.20673	1.4
291.19495	5.1
293.21201	2.3
295.20514	2.0
297.22192	2.6
313.21616	2.8
315.23157	6.1
323.23663	1.6
325.25415	1.9
327.23169	1.3
331.22864	2.4
333.24295	19.2
335.25882	4.5
339.23193	2.1
347.22458	4.2
349.23727	28.9
355.26501	1.7
363.26913	1.4
409.31036	1.4
419.33405	3.0
421.31003	2.3
435.32684	5.3
437.34229	14.0
450.09491	1.6
455.35309	2.2
481.33020	1.2
493.36755	4.1
495.35031	1.9
499.34515	1.5
501.36340	1.9
505.40109	1.5
509.36420	2.3
511.37686	14.1
513.35846	7.3
515.38684	6.4
527.37512	5.0
529.38916	7.0
533.40076	7.9
551.41071	6.4
555.36633	2.4
556.37726	3.6
589.42578	2.6
597.45563	1.9
607.43573	60.7
625.44659	100.0
626.44916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03953	8.4
55.01876	10.7
55.05515	42.4
57.03440	8.3
57.07069	2.5
65.03934	4.8
67.05508	63.3
69.03421	2.9
69.07071	25.4
70.70120	2.0
70.70467	1.1
71.04998	4.6
79.05496	63.1
81.03427	8.2
81.07059	80.3
83.04984	8.2
83.08618	24.5
85.02903	2.2
85.06551	1.9
91.05484	48.9
93.07047	57.9
95.04974	21.0
95.08611	41.2
97.06537	8.3
97.10177	8.9
98.94664	0.8
99.04449	1.5
99.08082	1.5
103.05503	1.8
105.04530	3.0
105.07038	39.4
107.04961	10.6
107.08600	27.9
109.06518	9.2
109.10168	17.0
111.04460	4.2
111.08067	5.4
111.71014	1.1
113.09733	1.4
115.05457	2.8
116.06239	1.2
117.07027	20.1
119.08588	35.9
121.06523	6.2
121.10150	19.1
123.08073	7.4
123.11727	5.0
125.09624	6.3
128.06233	3.5
129.07002	14.7
130.07776	1.0
131.08578	22.0
132.05731	1.0
133.06538	3.0
133.10144	19.3
135.08035	5.6
135.11697	12.5
137.09654	3.6
141.06992	3.4
142.07793	3.9
143.08566	14.3
145.06526	2.9
145.10141	24.0
147.08052	9.3
147.11699	10.4
149.09592	5.2
149.13272	4.6
151.11211	1.5
152.78149	0.9
153.12805	1.1
155.08565	6.9
156.09395	1.2
157.10120	13.5
159.08080	4.1
159.11708	13.4
161.09642	12.8
161.13280	6.6
163.11165	8.7
163.14821	1.0
165.09138	1.8
165.12793	1.3
167.08618	2.4
169.10152	6.5
171.08005	1.2
171.11670	12.2
173.09686	2.7
173.13263	7.4
175.11224	2.9
175.14885	3.1
177.12796	1.9
181.10063	4.5
181.12303	1.7
183.11699	7.1
185.09590	1.7
185.11835	1.7
185.13263	7.6
187.11232	2.2
187.14847	3.6
189.11249	3.6
189.12807	3.3
191.10670	1.5
193.10213	1.9
193.12213	1.8
195.11853	4.3
195.13425	0.9
196.12454	1.1
197.13261	5.1
199.11208	1.6
199.14798	4.3
201.12770	1.0
201.16440	1.4
203.14339	1.2
205.12358	1.3
207.11710	1.7
207.13803	1.1
209.13309	2.9
211.14888	3.8
213.16432	3.2
217.15872	1.6
219.17383	1.8
221.13252	1.3
223.13248	2.5
223.15068	1.6
225.16370	1.8
227.12796	1.8
227.18098	2.4
231.21097	1.2
235.14798	1.4
237.16519	3.3
239.18025	2.4
241.19478	4.9
243.21167	1.5
245.19083	4.8
255.17538	3.9
257.19070	2.6
259.20584	6.9
261.22229	3.1
273.18509	45.4
274.99362	1.0
275.20053	8.9
277.21799	1.5
291.19547	22.3
313.21747	1.7
315.23264	1.7
317.24789	1.0
327.23355	1.0
329.21207	2.6
333.24280	6.6
335.25833	23.0
347.22159	13.3
349.23648	6.7
365.23395	1.4
421.31146	1.5
423.32751	2.6
497.36343	3.3
499.34058	4.6
513.35901	1.9
515.38660	2.8
533.39886	4.8
551.40979	3.2
569.41748	1.5
580.75555	1.1
607.43573	19.5
625.44666	100.0
626.45032	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95166	0.5
51.02398	0.8
53.03940	2.2
55.01875	5.3
55.05514	16.6
57.03432	4.5
57.07072	1.9
60.55861	0.6
63.77369	0.6
65.03941	2.5
67.05507	33.0
69.03423	1.6
69.06718	0.5
69.07071	13.8
71.04993	2.4
79.05495	28.3
81.03415	3.9
81.07059	37.3
83.04989	4.1
83.08625	8.0
83.09077	1.0
85.02909	1.4
85.06543	2.2
91.05485	29.5
92.05796	0.6
93.07050	26.7
93.07642	1.3
95.04973	5.0
95.08608	23.9
97.06529	4.7
97.10173	4.1
99.04425	0.6
99.08086	1.2
103.05487	1.2
105.04563	1.5
105.07036	29.7
107.04953	4.1
107.08597	17.7
109.06524	7.2
109.10159	11.7
111.08092	2.0
115.05459	2.0
116.06250	0.7
117.07025	14.2
119.08586	19.7
121.06503	4.4
121.10153	8.7
123.04433	1.4
123.08064	4.3
123.11729	2.6
125.09612	2.9
128.06242	2.7
129.07007	10.8
130.07777	0.6
131.08566	16.9
133.06541	2.7
133.10146	17.0
135.08083	4.6
135.11697	6.2
137.09663	2.1
137.13336	0.7
141.06999	4.3
142.07747	2.8
143.08565	11.8
144.09363	0.7
145.06493	2.2
145.10130	16.9
147.08084	2.6
147.11702	9.3
149.09618	3.8
149.13321	1.9
149.91090	0.6
151.11217	3.9
153.07002	0.9
154.07785	1.6
155.08559	7.0
156.09366	1.6
157.06555	1.5
157.10135	12.2
159.08102	2.7
159.11687	10.1
161.09659	2.8
161.13261	5.2
163.11176	2.8
165.07059	1.3
166.07857	1.1
167.08595	4.1
168.09409	1.4
169.06409	0.8
169.10150	9.2
169.12268	0.8
170.10962	0.8
171.08104	1.5
171.11700	10.5
172.12436	0.6
173.09669	2.6
173.13264	5.5
175.11197	2.5
175.14888	1.6
177.12755	1.4
179.08571	3.9
180.09428	1.0
181.06549	0.8
181.10135	6.2
182.10901	0.8
183.08052	1.6
183.11700	7.7
184.08856	0.6
185.09683	2.3
185.13280	7.1
186.13887	0.6
187.11229	2.1
187.14859	2.5
189.11227	1.1
189.12807	1.9
189.16408	0.7
192.09311	1.1
193.10335	4.2
193.12073	4.3
194.10869	0.8
195.11703	6.1
195.13522	0.8
196.12399	0.6
197.09669	2.4
197.13263	6.1
199.11229	2.1
199.14827	3.5
200.28400	0.7
201.12805	1.2
201.16365	1.5
205.10229	1.5
207.11710	3.8
209.09795	1.2
209.13287	5.3
211.11256	1.7
211.14810	5.1
213.12891	1.9
213.16382	3.1
215.12715	0.8
215.18007	1.3
219.11723	1.4
219.17635	1.0
221.13289	3.6
221.15147	0.7
223.11264	1.2
223.14850	3.4
225.12860	1.3
225.16457	2.6
227.18033	1.6
229.16043	0.9
233.13240	1.7
235.14867	1.9
237.12752	1.0
237.16426	1.7
239.14363	0.9
239.18054	1.8
241.19485	3.2
245.13387	1.2
247.14944	1.6
249.16483	2.2
251.18031	1.9
253.14090	3.6
255.17639	1.4
257.19092	3.5
259.20621	3.4
261.16397	0.9
261.18814	1.0
263.17969	1.6
265.15738	0.9
265.19559	1.0
269.19061	0.9
271.16977	1.7
273.18549	3.8
275.20166	9.8
281.19116	0.7
289.18097	2.3
291.19702	2.2
293.21329	1.0
297.22308	1.0
313.21606	1.3
315.23209	1.4
321.22089	1.2
323.23712	0.9
325.21777	0.8
331.22781	1.4
337.21704	0.9
337.25458	1.0
347.22739	1.3
349.24127	0.9
351.23169	1.0
351.27011	1.4
353.24649	0.8
353.28552	2.7
359.24039	0.7
365.23962	1.2
367.26657	0.8
379.26117	0.7
381.28085	0.7
389.28214	1.2
405.27966	0.9
407.29575	1.4
409.31091	1.2
419.29639	1.2
421.31256	0.8
433.31055	0.7
457.30295	0.7
481.32584	1.0
485.32324	0.9
487.33688	0.9
494.36917	0.7
503.38739	1.4
511.34464	2.0
513.37091	4.1
525.35712	1.0
531.38379	10.1
537.36572	0.7
541.35388	0.8
549.39410	10.3
551.36981	1.0
553.35773	1.0
554.36127	1.3
567.40558	1.6
587.41077	1.0
593.41809	0.6
595.42877	2.9
605.41998	23.8
623.43091	100.0
624.43695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.01869	5.1
55.05512	15.0
57.03441	3.6
57.07074	1.1
65.03941	1.9
67.05506	23.1
69.03428	1.3
69.07072	10.4
71.05000	2.1
77.03915	0.4
79.05495	21.0
81.03416	3.7
81.07059	38.5
83.04981	3.3
83.08617	7.1
85.06551	1.0
91.05482	18.6
93.07043	17.5
95.01373	0.5
95.04968	6.3
95.08611	16.0
97.06528	4.4
97.10172	5.5
103.05455	0.7
105.06325	1.0
105.07033	19.0
107.04962	5.0
107.08598	12.0
109.06519	12.2
109.10158	8.9
111.08086	2.2
112.32259	0.5
115.05462	1.7
116.06237	0.5
117.07014	10.9
119.08585	13.2
121.06499	2.5
121.10162	6.5
123.08103	2.3
123.11719	1.8
125.09642	3.9
125.31356	0.5
128.06235	1.9
129.06998	6.6
130.07793	1.0
131.08577	12.0
133.06491	1.6
133.10130	10.4
135.08060	2.6
135.11713	3.6
137.09644	1.6
139.07605	0.5
141.06981	3.1
141.64429	0.4
142.07797	2.1
143.08557	9.3
144.09354	0.7
145.06517	1.7
145.10126	11.1
147.08009	2.2
147.11699	5.9
149.09615	3.5
149.13274	1.9
151.07478	0.5
151.11177	0.7
153.07033	1.3
154.07840	1.0
155.08540	5.6
156.09367	0.8
157.06491	0.5
157.10117	7.4
159.08096	2.1
159.11687	7.8
159.12898	0.7
161.09615	3.3
161.13211	2.3
163.11194	2.9
163.14897	0.6
165.06958	0.8
166.07799	0.9
167.08598	3.4
168.09352	1.0
169.06432	0.5
169.10139	6.4
171.08058	1.5
171.10225	0.9
171.11679	7.5
173.09633	1.7
173.11897	0.8
173.13310	3.6
175.11217	1.6
175.14856	1.7
177.12785	1.5
177.16339	0.5
178.07893	0.5
179.08537	2.2
179.14371	1.6
180.09344	1.1
181.10139	5.4
182.10847	0.7
183.08142	1.1
183.11710	6.4
185.09645	1.7
185.13268	4.0
187.11371	1.0
187.14864	1.7
189.11223	1.2
189.12787	0.8
189.16420	1.0
191.14406	0.5
193.10176	2.1
193.12173	1.1
194.10956	0.8
195.11737	4.5
196.08905	0.6
196.12593	0.6
197.09663	1.6
197.13235	4.9
198.13998	0.7
199.11252	1.9
199.14818	3.5
201.12891	0.6
201.16467	1.1
205.10246	1.1
205.12352	0.9
207.11734	2.9
207.13585	0.5
209.09747	0.7
209.13252	5.5
210.10451	0.7
211.11237	1.5
211.14830	2.9
213.12704	1.2
213.16466	1.5
215.14395	0.8
215.17990	0.8
219.11795	1.1
219.13847	0.5
219.17448	0.7
221.13322	2.3
222.14180	0.7
223.11305	1.0
223.14787	2.5
225.12859	1.1
225.16502	1.7
227.12791	1.4
227.14676	0.6
227.18047	1.0
229.14304	0.8
229.19644	1.1
231.11705	0.8
233.13292	1.5
235.14900	2.0
237.12793	1.0
237.16397	2.8
239.14267	1.3
239.17957	2.5
241.15883	0.6
241.19597	1.0
247.14917	1.2
249.16518	1.5
251.14311	0.7
251.18048	1.8
255.17445	1.2
257.18997	4.1
259.20679	1.7
261.16299	0.7
263.18039	0.8
265.19550	1.0
267.16037	1.4
269.19064	0.8
271.17090	1.4
271.20535	0.6
273.18640	3.5
275.17316	0.8
275.20102	8.4
277.19406	0.7
283.20541	0.6
291.19891	1.1
293.21326	0.7
295.20444	0.7
299.20108	0.7
309.22339	0.6
311.20142	0.5
311.23773	0.8
313.21539	1.0
321.22183	0.6
325.21747	0.7
325.25473	0.8
327.23117	0.6
331.22717	1.5
332.15799	0.5
333.24512	1.3
337.21988	0.6
339.26886	1.6
347.22498	1.4
349.24146	0.9
351.23166	1.2
355.22836	0.5
363.26880	1.1
377.28464	2.0
379.29919	1.8
391.26392	0.5
393.28149	0.6
395.29416	0.8
405.27524	0.5
419.29993	0.7
421.31317	0.6
431.28726	0.5
433.31259	0.7
435.32941	0.6
445.31177	0.5
461.30399	0.6
463.31802	0.7
490.65405	0.5
499.34467	0.7
503.39224	0.8
513.37280	3.1
531.38263	4.7
541.35248	0.8
549.39282	3.9
553.35480	1.6
554.36053	4.9
567.40076	0.8
587.40125	0.9
595.43860	0.7
598.21960	0.5
605.42029	13.7
623.43060	100.0
624.42975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.4
53.03957	4.2
55.01663	0.7
55.01880	7.4
55.05268	1.0
55.05518	16.0
57.03446	8.4
57.07072	2.2
59.05006	0.8
63.87021	0.6
65.03944	3.9
67.05511	47.6
69.03429	2.3
69.07076	15.3
70.21156	2.6
71.05013	3.7
76.03888	0.6
77.03947	0.8
79.05500	35.9
81.03426	6.2
81.07065	52.1
83.04993	4.4
83.08618	6.9
85.02878	0.8
85.06548	6.3
91.05489	38.8
93.07054	32.2
95.01352	1.5
95.04980	33.5
95.08617	24.7
97.06544	8.9
97.10178	3.8
99.08092	1.1
103.05481	1.2
105.04546	0.9
105.07040	37.1
107.04972	10.0
107.08607	18.5
109.06528	28.6
109.10175	7.3
111.04439	1.7
111.08087	3.1
113.06021	12.6
115.05470	2.5
116.06234	1.5
117.07029	20.2
119.04934	0.9
119.06072	0.9
119.08597	22.7
121.06507	3.6
121.10141	9.9
123.04464	0.9
123.08090	5.9
123.11723	1.9
125.09664	2.6
128.06230	3.0
129.07024	12.3
130.07837	1.2
131.04878	0.8
131.08588	23.3
133.06505	1.7
133.10146	18.8
135.08073	12.7
135.11700	7.4
137.05997	1.0
137.09630	2.5
141.06982	4.3
142.07809	3.2
143.08572	12.4
144.09373	1.5
145.06506	2.5
145.10135	18.9
147.08041	4.3
147.11716	8.8
149.09657	3.6
149.13315	3.4
151.11192	1.5
153.06966	1.0
154.07809	1.1
155.06038	0.9
155.08577	6.8
157.06551	1.3
157.10150	9.3
159.08087	3.2
159.11717	14.2
161.09648	4.8
161.13277	5.8
163.07547	0.8
163.11171	4.9
163.14842	1.2
165.07043	1.1
165.09140	0.8
166.07950	0.6
167.08600	2.6
168.09377	1.2
169.10130	7.8
171.08090	1.3
171.11699	8.8
173.09659	2.3
173.13255	7.2
175.11224	2.5
175.14888	2.4
177.12781	3.1
179.08549	1.7
179.14346	2.7
180.09430	0.9
181.10135	4.9
182.10828	0.8
183.11711	5.5
185.09706	1.9
185.13269	5.1
187.11220	3.5
187.14862	3.5
189.12790	1.5
189.16426	1.1
191.08565	0.7
191.14407	0.9
193.10188	2.6
194.10925	0.7
195.11708	4.7
195.13391	0.8
197.13306	4.8
199.11113	1.4
199.14890	3.8
200.87807	0.7
201.12744	1.5
201.16451	1.8
205.10281	1.0
205.12177	0.7
207.11728	1.9
207.13718	1.1
209.13257	3.8
211.14862	2.1
213.12918	1.0
213.16434	1.9
215.14381	0.8
215.17978	1.4
217.15907	4.5
219.11714	0.7
221.13425	3.1
223.14857	2.2
225.12863	0.7
225.16504	1.8
227.17957	1.1
229.19576	1.0
233.13374	1.4
235.14934	1.5
237.12735	1.3
237.16615	1.6
239.14366	1.0
239.18002	1.7
241.14206	1.0
241.19566	2.5
245.19162	1.3
247.14818	1.2
251.17955	1.3
253.15915	0.8
255.17413	1.5
257.19052	6.2
259.20538	5.2
273.18509	15.0
275.20135	13.3
279.15851	5.1
291.19562	21.0
293.21274	1.5
299.23724	0.8
311.23730	1.3
313.21558	0.9
315.23172	3.2
325.21851	1.2
325.25443	1.4
327.26865	2.1
331.22791	1.2
333.24396	3.4
347.22229	5.8
349.23981	1.8
353.24899	0.9
365.23779	1.1
387.26825	0.8
393.28128	1.5
416.93237	0.7
423.28793	0.8
449.31021	0.8
459.32761	1.0
461.29245	1.0
511.33994	1.4
513.36951	2.6
531.38147	5.4
549.39471	2.9
551.37000	1.3
554.36310	1.5
567.40619	2.6
577.42358	0.7
587.41003	1.6
595.43213	1.5
605.41998	15.2
623.43103	100.0
624.43268	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	618.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51495	0.3
54.29691	0.3
55.01851	0.8
55.05513	5.2
56.05038	3.1
57.03413	1.0
57.07079	8.3
58.06602	2.1
67.05505	7.9
68.05024	1.7
69.06747	0.3
69.07069	5.0
70.02951	0.6
70.06596	2.0
71.08301	0.4
71.08634	5.1
71.38322	0.3
72.04491	1.3
74.06078	0.5
79.05488	2.8
80.05024	2.3
81.07062	10.7
82.06583	5.1
83.04957	0.5
83.08628	2.8
84.08150	5.7
85.10196	2.9
87.04465	5.0
91.05485	2.3
93.07050	2.8
94.06543	1.1
95.07327	0.4
95.08608	9.0
96.08131	1.8
97.10139	1.3
98.06061	5.1
98.09691	0.7
98.98459	0.7
100.07616	0.4
103.07552	0.5
103.63640	0.4
105.07047	1.7
107.08572	1.3
108.08109	1.3
109.08858	0.4
109.10143	2.6
110.09669	1.8
111.11758	0.4
119.08562	1.2
120.08070	0.4
121.10174	0.8
122.02197	0.3
122.09673	0.9
123.08064	0.3
123.11694	0.9
124.11192	0.4
125.00021	0.7
135.11717	0.7
136.01614	2.5
138.09201	0.3
147.11705	0.9
151.73734	0.4
160.29442	0.3
162.03194	0.6
163.11211	0.5
180.04160	0.7
180.17480	2.7
182.15419	0.5
184.19978	0.3
206.15327	0.4
208.16972	100.0
213.58847	0.4
226.18030	17.3
229.57225	0.5
246.18428	0.4
264.19559	2.2
270.12686	0.5
282.20581	3.5
283.26187	0.4
288.13687	3.4
291.19833	0.5
300.21725	0.5
306.14661	19.2
313.27380	12.7
324.15714	8.4
362.17325	14.9
362.21054	0.3
362.21988	0.6
380.18326	31.7
520.43518	3.8
618.41296	71.8
619.41370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98035	0.5
53.03937	2.2
55.01870	1.9
55.05513	19.0
57.03442	0.8
57.07076	6.8
58.22734	0.5
59.04995	1.9
60.81660	0.6
65.03937	1.6
67.05508	9.8
69.03427	6.5
69.07065	4.4
69.16550	3.5
69.16960	1.5
70.06607	0.6
71.04996	2.3
79.05494	9.5
81.03419	1.5
81.07058	17.1
83.04981	5.9
83.08618	28.6
84.08167	0.7
84.17724	0.5
85.06553	8.5
87.04469	1.0
87.31420	0.6
89.04507	0.5
91.05480	13.1
93.07043	18.5
95.04968	6.3
95.08608	12.0
97.06532	7.7
97.10146	1.1
98.21551	1.2
99.04469	1.7
99.08145	0.6
103.05505	1.0
105.04548	1.1
105.07034	26.1
107.04974	1.5
107.08598	22.4
108.08920	0.5
109.06516	8.4
109.10150	7.8
111.04540	0.6
111.08067	2.0
113.06016	1.6
113.09660	2.3
115.05455	1.5
117.07029	4.9
119.08585	23.1
121.06480	4.0
121.10145	13.3
123.08072	14.0
123.11722	1.9
125.05994	2.2
125.09624	5.9
128.06227	3.1
129.07005	4.2
130.07794	1.6
131.08565	10.5
133.06558	1.8
133.07608	0.6
133.10130	16.2
134.10515	0.6
135.08047	6.7
135.11693	4.7
137.05994	1.6
137.09618	5.5
139.07559	2.0
139.11194	4.2
141.07031	1.8
142.07780	5.4
143.08545	10.9
144.09328	3.3
145.06482	0.6
145.10123	16.1
147.08054	9.2
147.09109	0.9
147.11693	6.3
149.09627	5.3
149.13303	0.9
151.07533	9.4
151.08650	0.6
151.11183	1.5
153.09128	1.2
154.07802	0.9
155.08572	7.1
155.10617	3.4
156.09375	4.3
157.10133	16.0
158.10870	2.5
159.08102	2.4
159.11691	11.2
161.09636	3.7
161.13232	2.8
163.11197	6.9
164.11581	1.0
165.07042	1.1
165.09131	15.1
165.12823	0.8
165.57487	0.6
166.07806	0.5
167.08623	2.0
167.10689	1.4
167.14352	0.7
168.09381	1.6
169.10120	9.8
169.11386	0.7
170.10950	2.3
171.08098	1.2
171.10190	2.0
171.11726	9.2
172.08797	0.6
173.09631	3.3
173.13252	4.8
175.11169	3.3
175.14896	1.6
177.09113	2.0
177.12796	1.6
179.08589	2.3
179.10733	1.2
179.14339	2.7
180.09386	1.1
181.10175	5.0
181.12279	10.4
182.10968	2.3
182.12553	1.1
183.11662	7.9
183.13370	0.8
183.13675	0.7
184.12454	1.8
185.09596	1.6
185.13252	3.9
187.11270	2.4
187.14879	1.4
189.12759	3.7
190.13644	0.9
191.10725	0.8
191.14244	3.3
192.09372	0.7
193.10175	3.7
193.12048	1.2
194.10960	2.4
195.11732	6.1
195.13574	0.8
196.12515	1.4
197.13281	8.7
199.11223	1.6
199.14870	1.6
200.11925	0.8
201.12753	2.9
201.16408	0.6
203.14352	7.0
206.10936	1.0
207.11760	3.4
207.13870	6.0
208.12524	1.8
209.13312	5.7
209.15381	1.7
211.11238	1.6
211.14777	3.2
212.15555	0.7
213.12756	1.8
215.14395	1.0
217.10175	0.6
217.12204	0.8
219.11742	1.3
219.13760	1.0
220.12483	1.1
221.13300	2.8
221.15353	31.8
222.13924	0.8
223.11221	1.2
223.14891	5.5
224.11987	0.7
225.12697	1.8
225.14888	4.2
225.16707	1.3
227.14482	0.8
229.12277	1.4
229.16107	1.0
231.11758	1.1
231.13722	1.1
233.13164	2.0
233.15460	5.8
235.14815	2.9
235.16982	2.0
237.12802	1.1
237.16508	2.0
239.14291	1.2
239.18073	1.0
241.15999	1.2
243.17461	0.8
245.13339	1.0
245.15588	0.8
247.14870	1.2
247.17039	2.8
248.15585	0.7
249.16360	0.9
251.14311	1.5
251.18031	0.7
253.15903	0.6
255.17587	0.7
257.19189	0.7
259.17068	1.2
261.16357	1.1
265.16220	0.6
265.19308	0.7
267.17456	0.6
271.16916	1.1
273.18564	1.0
275.20261	1.2
281.18912	0.6
283.17236	0.6
285.18573	1.7
286.19382	1.5
287.20123	4.2
293.18631	0.6
299.20117	2.8
301.21570	0.7
311.20206	1.1
313.21603	1.1
321.22324	0.7
347.90741	0.6
351.23196	1.0
359.23672	0.7
364.23965	2.1
365.24771	1.0
377.24576	1.4
391.26514	1.6
409.27274	0.7
431.29504	0.9
441.30283	0.7
459.31290	2.6
507.34555	1.7
511.34387	1.9
525.35754	63.7
538.36737	0.8
581.39600	1.5
599.33026	0.7
599.41138	5.5
617.41998	100.0
618.42328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.8
53.03933	2.7
55.01863	2.6
55.05277	0.8
55.05518	9.7
57.03428	1.4
57.07080	7.9
59.04984	2.8
65.03941	2.4
67.05508	14.2
69.03425	5.5
69.07075	7.6
69.31688	6.8
71.04993	1.3
79.05494	16.4
79.75357	0.8
81.03416	1.4
81.06593	1.3
81.07059	23.0
83.04982	4.2
83.08621	4.2
85.06556	6.8
89.01581	1.0
91.05481	22.9
93.07045	26.6
93.18401	0.8
95.04972	8.7
95.08601	11.7
97.06548	5.1
97.10145	1.9
98.21548	1.6
103.05473	2.5
105.04491	1.7
105.07032	30.6
107.04943	3.0
107.08592	21.6
109.06519	9.9
109.07256	1.2
109.10162	10.2
111.04459	1.3
111.08072	2.1
113.05993	0.8
115.03143	1.3
115.05452	4.2
117.07022	11.6
119.04912	1.2
119.06107	1.2
119.08585	34.0
121.06508	5.0
121.10151	15.9
123.08067	9.0
123.11691	2.0
125.05993	2.5
125.09608	1.5
127.03098	2.6
128.06241	6.4
129.04675	1.3
129.07019	11.0
130.07764	2.7
131.08563	19.4
133.06497	3.6
133.07465	0.8
133.10132	18.1
135.08054	10.4
135.11714	6.0
137.06018	1.6
137.09628	7.0
139.03105	2.9
139.07542	2.3
139.11273	0.9
141.04674	3.0
141.06972	4.5
142.07787	11.3
143.06256	1.6
143.08563	21.6
144.09335	5.4
145.10135	23.2
147.04407	0.9
147.08063	12.1
147.11710	6.6
149.09608	5.3
149.13257	1.7
151.07538	10.0
151.11188	0.8
153.04662	9.7
153.06956	2.0
154.07742	1.6
155.06189	1.8
155.08566	8.8
156.09325	8.5
157.10123	24.1
158.10902	4.6
159.08064	4.2
159.11696	13.4
161.09581	5.4
161.13287	3.6
163.07524	1.5
163.11185	6.3
163.14850	1.1
165.04727	1.1
165.06992	3.1
165.09119	15.2
166.07729	1.7
167.06233	3.9
167.08556	5.4
167.10742	1.9
168.09369	4.0
169.07826	1.2
169.10126	15.0
170.10921	4.3
171.08093	1.8
171.11693	17.3
172.08882	1.3
172.12485	1.4
173.09599	3.3
173.13249	11.8
175.11179	3.2
175.14832	1.9
177.09143	1.0
177.12732	1.6
178.07732	1.1
179.06218	4.7
179.08546	5.4
179.10085	0.8
179.10643	0.8
180.09377	1.7
181.07809	1.1
181.08597	1.0
181.10136	9.7
181.12152	5.5
182.10907	5.3
183.05713	1.4
183.11690	12.5
184.12532	3.7
185.09650	2.5
185.13257	7.2
186.10437	0.9
187.11198	2.3
187.14835	2.4
189.12712	4.5
191.06247	1.7
191.08659	1.2
191.10706	1.0
191.14296	2.1
192.09340	1.8
193.07764	1.4
193.10141	7.0
193.12091	1.6
194.10881	6.0
195.11710	12.0
195.13564	1.5
196.12439	3.6
197.09608	2.4
197.13252	11.3
199.11186	2.5
199.14760	4.4
201.12747	1.6
203.14330	6.1
205.10141	2.1
205.12027	0.7
206.10918	2.7
207.09618	1.2
207.11681	9.6
207.13815	8.7
208.12451	3.3
209.11134	1.5
209.13248	9.0
210.14085	1.8
211.11223	2.6
211.14796	4.7
212.11974	1.1
213.12817	1.9
215.08546	0.8
215.10638	1.4
215.14331	2.1
216.59621	0.8
217.07918	1.3
217.10106	1.9
217.15862	1.1
218.10934	1.3
219.09555	1.3
219.11742	3.4
219.13725	1.0
220.12328	3.8
221.10927	3.1
221.13245	6.5
221.15385	24.4
222.14030	1.9
223.11177	1.6
223.14842	4.4
224.15503	1.2
225.12845	2.1
225.16364	3.7
227.14301	2.6
227.17963	1.0
229.12263	3.3
230.11095	0.8
231.11711	2.4
232.12398	1.6
233.13223	4.7
233.15430	1.8
234.14124	1.9
235.12698	1.0
235.14754	3.7
236.15462	1.0
237.12793	1.1
237.16382	3.3
239.11981	1.8
239.14346	2.3
239.17982	2.1
241.15764	0.8
243.11594	1.3
243.17175	1.1
245.13326	2.3
246.14012	2.1
247.14859	4.1
247.17111	1.2
248.15601	2.4
249.12598	1.2
249.16495	1.9
250.17123	1.2
251.14217	0.9
251.18039	1.3
253.15894	1.5
255.17537	1.5
255.39421	0.9
257.13229	1.3
258.14130	1.2
259.14789	2.7
260.15576	1.0
261.16376	2.9
262.17130	0.9
263.14331	1.0
263.17966	4.6
265.16138	0.8
265.19513	1.5
271.14731	1.7
273.16119	2.0
273.18811	4.2
275.14374	0.8
275.17966	1.1
281.18970	1.4
283.20615	0.9
285.18811	1.5
286.19345	1.7
287.14490	0.8
287.20059	3.3
289.19464	1.5
291.19586	9.5
293.18878	0.9
299.20306	1.3
311.20096	1.6
319.18079	0.9
329.22598	1.7
347.23599	1.6
359.24216	0.9
364.23923	2.7
373.25296	1.1
377.24832	1.7
390.25665	1.4
409.22958	1.8
459.26346	5.5
471.32455	0.9
489.33542	7.5
511.29562	3.3
525.31317	100.0
526.31635	2.3
538.31702	1.0
581.40308	10.7
599.39557	1.6
617.37427	91.5
618.37787	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.4
57.07076	27.3
57.71665	0.5
59.05008	0.9
67.05501	2.5
69.03446	0.8
69.07059	2.2
71.04994	0.5
71.08634	27.8
71.52694	0.6
73.06556	10.0
79.05483	1.6
81.07063	2.0
83.05001	0.9
83.08620	4.0
85.10184	23.4
87.04471	7.4
88.06402	0.5
89.06031	100.0
89.47190	0.6
91.05485	2.0
91.07619	1.1
93.07046	2.7
94.07372	0.7
95.04991	1.1
95.08588	1.3
97.10168	1.3
99.11750	2.8
99.82574	0.6
105.07037	2.6
107.07077	2.4
107.08599	2.2
108.08939	0.6
109.06510	0.6
109.10145	1.4
117.07030	0.5
117.09136	7.6
119.08575	2.7
121.10166	2.2
122.10542	0.6
123.08050	1.5
125.05958	0.5
128.06198	0.5
129.07025	0.9
130.07816	0.6
130.08653	3.3
131.07050	2.1
131.08594	1.3
133.08606	53.3
134.10457	0.6
135.08049	1.3
135.10165	0.8
141.16388	3.9
142.07724	0.5
143.08525	1.1
145.10135	2.2
147.08018	0.8
149.09618	1.1
151.07588	1.1
157.10184	1.0
159.11749	0.7
161.09618	0.9
161.11749	2.2
163.11220	0.5
165.09143	0.9
167.10707	1.1
169.10081	0.6
171.11798	0.8
175.09692	1.9
177.11235	22.7
185.19022	6.5
195.11667	0.6
206.36548	0.5
221.13759	5.3
221.15703	0.7
222.15999	0.6
223.15236	0.5
226.21674	1.7
229.21635	11.6
233.15338	0.7
239.14841	1.2
265.16431	1.7
273.24237	9.1
283.17606	1.8
327.20313	1.0
346.28867	0.6
369.28610	0.7
415.25555	1.0
434.03537	0.5
459.28195	3.6
471.59744	0.6
511.38757	0.6
536.98401	0.6
555.40881	0.8
598.38586	0.9
599.43695	10.2
616.39844	2.6
616.46277	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07189	1.4
55.01873	7.2
55.05511	7.5
56.05039	3.5
57.03427	1.5
67.05508	15.0
69.03430	2.0
69.07069	7.1
69.24813	1.5
70.02946	2.4
70.06589	5.2
70.64642	4.1
72.04507	2.0
72.08157	2.2
73.06531	1.2
74.00674	8.9
75.01432	1.5
76.02254	1.7
76.04007	15.3
79.05483	16.5
81.07060	34.0
83.04982	3.1
83.06084	2.7
83.08616	5.7
84.04506	35.9
84.08141	9.1
85.04025	21.0
86.09699	5.7
90.00117	3.1
91.00922	4.0
91.05481	16.0
92.01714	13.4
93.07050	13.4
95.04961	7.2
95.08603	11.6
97.06539	2.7
99.05583	41.5
100.03959	3.0
105.07036	14.0
107.04956	5.0
107.06070	7.6
107.08612	9.6
108.04475	1.9
109.06519	14.4
109.07642	6.2
109.10175	4.8
111.08101	1.6
112.03985	10.5
113.03510	6.6
116.01700	1.6
117.07004	5.2
119.08592	13.6
120.08099	3.5
121.06522	4.0
121.10170	6.7
123.08068	3.0
124.91476	1.4
126.05563	2.1
127.05008	7.9
129.06888	1.5
129.10211	3.9
130.05002	55.9
131.04518	22.1
131.08565	5.4
132.05324	8.8
133.06499	1.8
133.10158	7.3
135.05536	6.0
135.08017	3.2
135.11729	2.8
136.03905	3.1
137.09624	3.8
142.04974	1.6
145.06088	47.8
145.10117	7.8
146.57513	1.6
147.08002	2.1
147.11705	5.5
149.03778	6.1
149.09598	3.4
149.13339	1.5
153.06606	20.2
155.08150	16.0
157.10164	2.7
158.02670	1.5
159.11737	4.1
160.00673	5.5
161.09639	1.5
163.11208	3.7
163.14897	1.9
165.12831	2.7
166.06920	3.5
168.05351	4.3
173.13310	2.0
177.03291	100.0
178.01695	2.5
181.06093	38.7
182.06793	1.5
185.03830	6.3
186.06442	2.3
193.02751	2.4
193.12474	1.6
194.03616	9.6
195.04414	3.4
199.07153	19.7
211.07089	1.6
223.13284	2.2
225.65111	1.4
229.19449	2.3
231.04349	4.8
243.08617	3.6
247.03812	2.0
247.20547	3.1
248.04643	3.1
249.05391	1.8
256.09256	13.3
257.18945	3.4
268.08875	2.8
274.10349	29.3
275.20056	58.8
277.87146	1.5
288.06485	14.4
291.19424	2.8
292.22632	3.3
293.21063	10.4
306.07571	48.2
314.06033	1.5
322.07037	17.0
323.07877	12.7
324.08572	10.0
325.11810	3.2
326.12216	2.9
348.19962	2.4
350.21506	6.6
366.21069	4.2
394.20404	2.6
451.22610	13.4
469.23697	14.5
524.71216	1.4
584.25800	8.3
598.27252	1.7
616.29651	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	616.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
54.44182	0.3
55.05495	1.0
56.05027	0.5
56.14431	0.3
58.06606	1.8
60.04524	0.3
63.02355	0.4
65.03933	0.9
65.63049	0.2
69.07056	0.7
70.06592	4.8
71.51963	0.3
71.52338	0.4
72.08158	16.2
74.06054	0.4
75.09229	1.2
79.05476	0.5
81.03429	0.6
81.07063	0.4
82.06585	0.4
83.02608	0.3
84.04510	1.5
84.08149	7.2
85.02908	0.6
85.08493	0.3
86.06024	0.3
86.09706	3.5
89.03912	3.3
91.05482	7.1
95.04951	0.5
98.06017	0.3
100.07563	0.3
100.11271	0.7
101.07181	0.3
102.05549	0.4
103.05444	0.3
107.04967	1.4
110.07158	0.5
110.09682	0.4
111.04443	0.4
112.07553	0.3
112.11242	6.6
117.03376	3.9
119.04944	16.3
120.08116	2.2
121.06491	0.3
129.10245	2.4
129.13879	3.9
135.04413	9.8
136.07556	0.4
145.02850	10.0
145.03987	0.8
146.16556	2.8
147.04410	52.2
148.04698	0.4
155.11784	2.4
159.09253	0.4
162.05576	0.5
163.03903	100.0
164.04219	0.4
172.14424	1.4
182.15385	0.4
185.28261	0.3
203.11827	0.5
204.10204	16.6
210.14929	0.4
211.72557	0.3
218.11852	0.6
219.11307	3.6
220.09689	57.5
233.12894	1.9
234.11247	8.3
237.12390	1.6
263.13797	0.3
275.17462	2.0
281.15128	0.9
290.18643	1.2
291.17047	12.4
292.20178	2.2
308.19675	16.0
318.18158	0.5
334.17654	0.8
436.22205	2.0
437.20755	2.0
442.28909	0.3
452.21826	28.5
453.20166	0.5
454.23373	42.5
455.23584	0.4
470.22873	62.8
471.22818	0.7
480.21509	0.5
616.26550	5.3
616.42096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01870	0.9
55.05514	14.4
56.85950	0.5
57.03441	4.0
57.07077	5.1
57.26975	0.5
65.03941	1.6
67.05507	36.3
68.31451	0.5
69.07068	19.2
69.30401	1.1
69.30793	3.9
71.04993	1.4
71.08636	2.1
72.08890	0.6
79.05495	18.6
81.07059	40.8
83.04993	1.2
83.08624	10.6
85.06552	1.9
85.10206	0.7
91.05481	15.0
93.07049	28.0
95.04961	1.6
95.08611	35.5
97.06537	2.8
97.10176	5.9
99.08076	1.3
101.15788	0.5
105.04502	0.5
105.07039	15.9
107.08601	17.1
109.10165	16.6
111.08101	1.5
111.11692	1.2
117.07029	5.4
119.08587	16.0
121.10150	17.3
123.08097	0.8
123.11710	7.2
125.09660	1.5
129.07008	2.3
131.08569	10.3
131.09514	0.7
133.10133	14.3
135.11694	10.2
137.13266	2.7
139.11214	1.0
143.08559	2.7
145.10130	10.1
147.11682	9.2
149.09578	0.7
149.13275	6.1
151.11302	0.6
151.14868	1.8
155.08551	0.7
157.10127	2.4
159.11711	7.1
161.13260	5.9
163.11252	0.8
163.14822	3.4
165.12778	0.7
165.16415	1.0
169.10080	0.9
171.11746	2.1
173.13258	5.3
175.11284	0.5
175.14825	3.7
177.12645	0.7
177.16420	1.9
183.11723	1.2
185.13235	2.3
187.14807	2.9
189.16341	2.6
191.14449	0.5
191.18001	0.9
197.13301	0.7
199.14902	1.5
201.16476	2.0
203.18015	1.2
205.19496	1.0
211.14841	0.9
213.16537	0.9
215.18057	1.6
217.19543	0.7
219.17697	0.7
219.21132	1.4
225.16693	0.6
229.19650	1.0
233.22736	1.2
241.19597	2.1
243.21172	1.8
245.22754	1.0
246.11829	0.5
247.20584	0.7
247.24261	0.6
259.20627	3.2
261.22171	8.0
263.23776	2.2
273.22183	0.7
275.23853	0.9
277.21729	0.9
279.23346	0.9
287.23596	1.0
289.25302	0.8
299.23810	0.7
301.25150	0.7
305.24670	0.7
311.25882	0.7
315.23325	0.9
315.26846	1.1
317.24838	1.3
317.28342	0.7
321.24512	0.7
323.25671	0.5
329.28558	0.7
331.26566	0.6
333.24341	2.2
335.25839	7.1
337.27402	9.5
339.29044	3.4
347.25876	0.7
359.29578	0.6
491.37213	0.8
517.38995	1.0
523.45142	3.5
531.40912	1.3
541.46100	1.7
545.42297	0.8
597.48718	10.4
615.49835	100.0
616.49866	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01869	1.0
55.05513	14.8
57.03430	3.4
57.07079	4.1
57.17261	0.7
60.46169	0.8
61.52166	0.8
63.59331	0.7
65.03929	1.4
67.05507	32.3
69.07069	19.1
70.81667	2.0
71.08633	2.3
73.99437	0.8
79.05497	15.3
81.07057	39.8
83.04998	1.4
83.08616	9.8
85.06541	2.2
89.06024	1.5
91.05483	14.2
93.07044	25.8
95.04981	1.9
95.08610	34.5
96.36458	0.7
97.06548	2.9
97.10174	5.0
99.08104	1.3
105.07034	16.2
107.08594	15.4
109.06477	1.4
109.10156	13.9
111.08092	1.6
111.11727	1.7
117.07023	4.6
119.08581	15.6
119.21939	0.8
120.08857	1.0
121.10141	13.2
123.08081	1.0
123.11687	5.5
125.09646	2.1
129.07060	2.3
131.08543	10.1
133.10143	11.7
135.11700	10.0
137.13226	2.1
139.11243	1.3
143.08585	2.8
145.10114	9.1
147.11691	7.2
149.13313	6.2
151.14813	1.9
155.08539	1.1
157.10162	3.0
159.11687	7.8
161.13278	5.0
163.14830	4.4
165.12802	0.9
169.10219	1.0
171.11697	2.3
173.13251	5.1
175.14792	3.8
177.16476	1.5
179.14337	1.1
179.17873	1.2
185.13271	2.6
187.14877	3.2
189.16423	2.2
191.14330	1.1
191.18015	1.3
199.14893	1.5
201.16286	1.5
203.17882	1.3
213.16466	1.0
215.17883	1.1
225.16338	0.9
243.21159	2.4
245.22775	0.9
259.20636	2.7
261.22192	6.6
271.20511	0.9
273.22281	1.0
279.23340	0.9
315.26709	1.2
317.24817	1.3
317.28406	1.1
321.24149	1.3
327.17932	0.9
333.24237	2.0
335.25806	6.3
337.27335	8.8
339.28979	2.7
421.29709	0.9
489.35791	0.8
523.45355	4.1
531.40387	1.3
541.46271	2.1
545.41327	1.0
597.48798	12.6
615.49847	100.0
616.50067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42825	0.9
51.52383	0.7
53.03944	1.7
55.01872	1.2
55.05507	5.9
57.03438	1.0
57.07065	3.4
59.05001	1.7
62.14974	0.7
65.03942	1.9
67.05511	10.3
69.03426	2.9
69.07064	5.9
69.84509	1.8
69.84926	2.2
70.06575	1.3
71.04996	1.1
73.44809	0.7
79.05501	10.6
80.05815	1.2
81.03435	1.9
81.07058	18.0
81.22793	0.7
82.07403	1.3
83.04980	4.7
83.06124	0.8
83.08614	3.9
84.04523	1.6
84.08154	1.0
85.06551	2.1
86.09714	1.1
86.82861	0.8
86.93781	0.8
91.05480	14.3
93.07046	17.1
94.07419	0.8
95.04958	5.5
95.08598	8.4
97.02910	0.9
97.06524	3.8
97.10185	2.0
98.20762	1.4
99.01434	0.9
100.02209	1.1
103.05463	1.2
104.68060	0.8
105.04563	1.3
105.07036	22.1
107.04958	2.8
107.08600	13.1
109.06525	8.6
109.10145	5.0
110.10473	0.9
111.08090	1.8
112.02187	2.2
114.03757	2.6
115.05513	0.9
117.07053	5.6
119.04953	1.5
119.08588	16.7
120.08890	1.1
121.06479	3.9
121.10153	13.5
123.08072	7.5
123.11687	1.9
125.05973	1.9
125.09644	2.6
126.03777	0.9
127.04183	0.7
128.06268	3.9
129.05540	1.5
129.07033	5.6
130.07790	1.6
131.08588	9.4
133.06561	3.7
133.10129	9.8
135.08080	6.7
135.11697	4.1
137.09621	5.1
138.03714	1.0
139.07571	1.6
139.11163	1.4
140.05356	1.0
141.07030	2.2
142.07802	3.7
143.08554	10.4
144.09352	2.2
145.06509	1.8
145.10132	11.1
147.08051	9.5
147.11682	4.8
149.09619	6.3
151.07501	6.1
151.11259	1.6
153.07019	0.9
153.09152	0.8
155.08556	3.6
156.09361	3.6
157.10139	9.4
158.10953	1.5
159.08099	3.5
159.11703	8.8
161.09624	4.9
161.13264	1.9
163.07506	1.2
163.11201	6.1
163.14888	1.0
165.07051	1.6
165.09134	9.4
166.07791	1.1
166.93536	0.7
167.08557	3.1
167.09419	0.8
167.10686	8.6
168.08409	2.3
169.08797	1.9
169.10091	7.5
170.10954	2.2
171.08096	1.4
171.11697	6.2
173.09671	3.0
173.13322	3.4
175.11226	4.1
177.09174	2.3
177.12796	1.2
179.08582	2.2
179.10739	1.1
180.09334	0.9
181.10196	4.1
181.12148	4.6
182.10950	3.1
183.11734	6.1
185.03857	0.9
185.09644	1.4
185.13245	4.1
186.10413	0.9
187.11238	2.7
187.14835	1.0
189.11372	0.9
189.12723	4.9
191.08736	0.9
191.10733	1.0
191.14403	1.2
192.09381	1.0
193.10188	3.0
193.12216	1.6
194.11053	1.2
195.11630	5.1
195.13794	0.8
196.12486	1.9
197.13239	6.4
198.14020	1.1
199.11211	3.0
199.14854	0.9
200.12062	1.0
201.12746	2.7
203.14413	3.8
204.02238	0.8
207.11769	4.1
207.13881	4.1
208.12549	1.4
209.13309	3.7
209.15169	0.8
210.14055	1.3
211.11281	2.0
211.14816	1.9
212.11961	1.1
213.12733	2.4
213.16299	0.8
215.10831	1.0
215.14388	1.3
218.10919	0.8
219.11771	1.5
219.13820	2.0
220.12482	1.4
221.13315	3.1
221.15445	13.9
223.11259	1.3
223.14905	1.2
225.12801	1.9
225.16414	2.3
229.12230	2.2
230.12976	1.0
231.04347	1.0
231.11737	1.3
233.13333	1.5
233.15395	4.5
234.16176	1.4
235.14873	1.8
237.12762	1.0
237.16502	1.1
239.14287	0.9
241.16078	1.0
243.11859	0.9
245.13260	1.3
245.15446	1.0
247.14809	1.8
247.16982	1.2
249.12761	1.0
249.16649	1.4
255.17496	0.9
259.14749	1.1
260.15710	1.4
261.16632	1.2
267.17474	1.2
271.17093	2.1
273.18686	1.4
275.20163	1.5
276.20694	0.9
285.18542	2.7
286.19312	8.4
287.20142	1.8
296.16898	3.5
297.16946	4.4
298.19363	1.4
299.20178	2.0
309.18628	1.3
321.18491	0.8
365.23761	1.8
366.23541	1.1
377.24811	2.2
378.25546	2.6
383.24423	1.5
384.20126	2.2
398.19022	1.5
399.19217	2.7
409.27673	1.3
413.60895	0.8
417.20175	1.3
418.20804	5.7
419.21216	0.9
467.25818	6.1
468.26071	22.9
523.34241	19.3
540.28235	3.5
572.39111	1.0
597.39166	3.1
615.40448	100.0
616.40515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01849	0.7
55.05523	1.4
57.03434	0.5
57.07082	10.3
59.05005	1.2
67.05516	1.9
69.03432	1.3
69.07079	2.3
71.05003	0.4
79.05500	4.6
81.03420	2.0
81.06663	0.3
81.07066	3.8
83.04987	19.0
83.08616	0.6
84.04490	0.7
85.02886	0.2
85.06544	0.4
85.70632	0.2
91.05489	3.2
93.06494	0.3
93.07052	5.8
95.04374	0.4
95.04980	7.4
95.08617	1.9
97.06540	10.5
98.20813	0.6
105.07042	5.0
107.04959	1.0
107.08601	4.3
109.06538	1.6
109.07238	0.2
109.07471	0.2
109.10149	1.0
111.04450	0.3
111.08102	0.3
111.11680	0.3
115.05459	0.3
117.07021	1.4
119.04961	0.2
119.08591	4.4
121.06523	1.7
121.10158	7.4
123.04472	0.3
123.08058	1.4
123.11701	0.3
125.06001	40.4
128.06229	0.3
129.06964	0.7
130.07777	0.8
131.08585	2.3
133.06511	0.5
133.10135	2.4
135.08049	1.1
135.11716	2.2
137.09572	0.5
139.11221	0.3
141.07036	0.4
142.07802	0.7
143.08592	1.8
145.09062	0.4
145.10138	5.4
147.08002	1.3
147.11702	1.0
149.09639	1.5
151.07532	1.1
155.08543	0.6
156.09361	0.8
157.10155	1.5
158.10846	0.3
159.08035	0.6
159.11729	1.4
161.09602	0.6
161.13254	0.5
163.11192	40.7
164.11588	0.3
165.09151	1.2
167.10689	5.4
169.10098	1.0
171.11699	1.4
173.09592	0.5
173.13280	0.9
175.11218	0.4
175.14796	0.2
177.09103	0.4
179.08632	0.4
179.80882	0.2
180.09489	0.2
181.12245	100.0
182.10999	0.3
182.12637	0.6
183.11693	0.9
184.07300	0.2
185.09613	0.4
185.13277	0.4
187.11186	0.5
187.14832	0.5
189.09146	0.2
189.12761	0.6
193.10281	0.3
194.10916	0.3
195.11745	1.0
195.13695	0.3
196.12456	0.3
197.13235	1.2
199.11244	0.4
201.12740	0.4
203.10632	0.3
203.14291	0.5
207.11751	0.6
207.13846	0.8
208.12640	0.2
209.13284	0.6
211.11226	0.4
211.14868	0.4
213.12749	0.3
215.14320	0.2
215.17851	0.2
221.13396	0.4
221.15337	2.3
225.12807	0.4
233.13383	0.4
233.15456	0.6
239.14337	0.3
273.18668	0.3
285.18625	0.5
286.19376	0.6
289.18048	0.6
291.19458	0.3
299.19901	0.3
305.19101	0.2
344.66174	0.2
347.84573	0.2
357.22308	0.3
363.23325	0.3
375.22855	0.2
377.24982	0.3
381.24286	0.2
407.25867	0.3
485.20068	0.2
523.34033	1.8
579.38354	0.5
597.39233	0.8
615.40405	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	615.2814
Annotation	Quivisianone
Peak:m/z	Relative Intensity
52.83685	0.9
55.05502	1.7
61.02925	0.8
67.05505	1.5
69.07051	1.2
70.06595	7.6
71.32328	1.2
72.08143	2.3
75.10275	0.9
79.05507	2.0
81.03408	1.0
81.07064	2.0
84.04510	1.2
84.08154	7.1
85.02915	1.5
86.09702	4.6
91.05470	1.9
93.07028	1.5
94.06561	1.3
95.04974	0.8
101.63438	0.8
108.04523	0.9
108.08136	1.1
110.06016	1.0
110.07153	1.9
113.66002	1.1
118.08501	0.8
119.08572	1.2
120.08119	3.1
122.06019	4.5
129.10240	3.8
130.06451	1.0
133.10146	1.0
133.65761	0.8
134.06007	4.6
136.07590	2.8
138.05522	1.3
138.09131	2.6
146.05998	4.6
148.07567	7.0
150.09193	1.3
152.07097	1.5
163.05038	1.4
166.05008	2.6
172.38533	0.9
174.09167	2.6
178.04996	1.0
180.06656	1.5
183.09207	1.3
185.08379	2.1
186.12749	1.1
196.09917	2.2
197.10687	4.0
198.09241	1.8
198.11476	1.3
199.12302	1.0
209.10663	4.1
210.11522	12.7
211.08612	1.3
211.12257	6.7
212.10889	1.7
212.12970	1.6
213.10236	1.0
213.13873	2.5
214.10767	1.7
214.12502	1.8
214.56137	0.9
223.12311	1.2
224.09431	1.8
224.13150	2.7
225.10233	8.8
226.11102	3.4
227.11816	2.4
229.13371	1.6
230.11844	1.8
237.10220	8.3
238.10997	2.8
239.08353	4.8
239.11787	20.9
240.10439	1.8
240.12584	3.6
241.09572	1.0
241.13368	1.8
242.10576	3.4
243.11302	4.6
243.14809	0.9
244.09474	1.1
251.11794	2.7
252.12593	3.8
253.09732	2.0
253.13365	4.4
255.11351	1.8
257.09213	1.5
257.12854	5.4
259.14386	2.4
265.09708	4.6
266.10526	1.0
267.11188	1.5
269.12869	15.8
270.09995	1.6
271.10776	6.1
272.11594	8.6
279.11105	1.8
280.12082	21.8
281.12839	6.3
283.10904	4.8
283.13910	1.1
285.12317	17.8
287.13809	1.4
297.12308	3.5
298.09396	2.5
298.13010	2.0
299.13898	15.1
301.11786	7.7
301.15228	1.9
303.13284	2.2
307.10803	1.3
310.09546	1.2
313.11847	3.7
315.13120	1.4
325.11826	100.0
327.13333	1.4
381.34412	0.9
418.17432	1.8
422.20740	1.5
436.18646	1.6
456.35123	0.9
462.19641	1.1
485.19604	0.9
535.26544	0.9
541.24756	1.9
555.25800	5.0
564.05688	0.9
583.25531	99.6
584.25214	1.4
615.31146	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	614.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.0
57.07080	58.4
59.04992	0.9
67.05498	2.2
69.07073	8.1
69.95053	3.2
71.08637	52.5
73.06555	6.7
77.86711	0.6
79.05493	1.2
81.07069	1.0
83.08634	4.2
85.10187	32.9
86.96761	0.9
87.04475	8.1
87.14082	0.7
89.06038	100.0
91.05492	1.4
93.07060	1.1
95.04984	0.9
95.08619	1.2
97.10181	3.0
98.21431	0.7
99.11754	7.3
105.07034	1.5
107.07111	1.5
107.08604	1.4
109.10147	1.3
111.11716	4.8
113.13301	6.4
117.09138	7.9
119.08601	2.0
121.10188	1.6
123.08054	0.8
125.13297	2.5
127.14863	4.0
128.98218	0.6
130.08669	2.7
131.07079	3.0
131.08598	1.1
133.08611	72.4
135.10220	1.9
143.08635	0.7
145.10147	1.7
157.10149	0.8
159.11705	0.9
161.11794	2.8
175.09703	1.6
177.11237	33.9
179.12869	0.8
181.12292	1.0
183.21114	2.1
193.48679	0.8
195.12256	0.7
197.13315	1.0
221.13766	9.6
223.15337	1.4
227.23756	1.6
239.15038	1.6
265.16498	3.3
271.26309	6.5
283.17468	3.1
307.30716	0.7
309.19202	1.8
315.29019	7.3
327.20328	3.3
353.21793	1.1
371.22800	1.8
415.25446	10.1
438.43552	0.9
509.40616	1.3
553.43463	1.2
585.22754	0.9
597.45886	21.4
614.39282	1.6
614.48480	10.4
615.39331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70630	0.4
55.05513	3.6
57.07079	32.1
59.04990	1.7
61.64465	0.5
67.05511	3.3
69.03418	1.4
69.07072	4.7
69.60067	3.3
71.08635	30.3
73.02932	0.5
73.06558	8.4
79.05494	1.7
81.07066	2.9
82.07445	0.5
83.08611	3.3
85.06551	2.5
85.10185	17.0
87.04476	6.9
89.06036	100.0
91.05473	2.4
91.07584	1.2
93.07040	2.8
95.04976	0.7
95.08608	3.5
97.10164	4.1
97.79401	0.4
99.11723	2.7
105.07027	6.0
106.07356	0.9
107.07084	1.4
107.08585	2.7
109.06528	0.7
109.10171	2.9
110.10503	0.8
111.11715	3.1
113.13300	2.2
117.07021	0.8
117.09129	5.9
119.08580	6.2
120.08925	1.3
121.10175	2.6
122.10485	0.6
123.08096	1.2
123.11774	0.7
123.57455	0.5
125.13277	1.5
127.14851	1.7
129.06999	0.5
130.08659	3.0
131.07054	2.6
131.08580	1.7
133.08612	53.5
133.10065	4.6
134.10446	1.0
135.08051	0.7
135.10144	1.2
135.11699	1.2
137.09615	1.0
141.16420	0.9
142.07811	0.7
143.08575	1.2
145.10149	2.0
146.10506	0.6
147.08028	1.2
147.11720	0.9
149.09566	1.2
151.07553	0.9
151.11136	0.6
156.09293	0.5
157.10117	1.2
159.11745	1.6
161.09602	0.6
161.11758	1.7
161.13127	0.6
165.09140	1.7
167.10818	0.6
169.10173	1.3
170.10823	0.6
171.11775	1.0
173.13316	1.2
175.09622	1.1
175.14844	3.9
176.15215	2.2
177.11237	24.4
180.13834	3.9
181.12381	0.8
182.10779	0.5
183.11740	0.9
183.21056	3.4
185.09706	1.1
193.10138	0.6
197.13324	1.0
198.15056	1.1
199.11018	0.5
199.14856	0.5
203.14285	0.6
207.17462	10.0
208.17767	4.9
209.13231	0.6
221.13565	4.1
221.15802	3.2
223.15175	0.6
227.23729	2.5
239.14828	2.0
265.16525	1.9
271.26337	8.5
278.11530	0.9
283.17584	2.3
283.20456	0.5
309.19046	1.4
315.28955	6.0
327.20151	2.3
352.15317	2.1
371.22827	1.1
387.25183	0.6
393.24423	0.6
405.89908	0.5
415.25397	8.4
416.26178	0.5
465.37781	0.6
473.71487	0.6
493.33344	1.1
494.04980	0.6
509.40875	0.7
553.43127	1.2
564.39465	0.8
582.40588	1.2
585.39661	1.9
597.45819	11.3
613.09625	0.7
614.39227	4.6
614.48468	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	614.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05503	0.3
55.05503	0.5
57.07076	6.5
57.81824	0.3
58.06599	1.8
62.25819	0.3
62.99353	0.3
65.03941	0.4
67.05495	0.9
69.03414	0.3
69.07052	0.6
69.94952	1.1
70.06595	15.1
71.08634	2.7
72.08154	0.6
73.60390	0.3
74.06042	0.5
79.05484	0.7
81.07052	0.6
83.04998	0.3
83.08621	0.4
83.66103	0.3
85.10193	0.8
88.07634	19.3
91.05449	1.1
93.07049	0.9
95.04948	0.4
95.08611	0.7
97.06514	0.5
98.20768	0.4
102.09184	14.8
104.36871	0.4
105.03416	0.4
105.07026	0.9
107.08559	0.7
109.06487	0.4
109.10136	0.6
117.03704	0.3
119.08551	0.5
121.02820	0.4
121.10150	0.5
125.05994	0.4
128.79202	0.3
131.04927	0.5
131.08562	0.3
133.10089	0.5
137.09531	0.3
145.10101	0.5
147.04388	0.5
149.02344	38.1
151.07504	0.3
155.08464	0.3
159.11636	0.4
163.11186	0.6
169.10048	0.4
175.03900	0.6
179.71320	0.3
181.12209	0.9
193.04968	45.6
195.11653	0.3
212.23804	0.7
219.06508	0.7
221.15388	0.5
225.05466	0.7
233.13234	0.4
256.26358	41.8
269.04422	1.4
297.03888	2.3
313.07031	2.2
341.06583	9.7
359.07581	5.8
385.09183	46.4
522.32666	0.6
523.34906	0.3
596.30579	0.4
596.38916	0.4
614.33142	100.0
615.32782	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82153	0.4
55.01877	3.0
55.05517	6.6
55.25585	0.5
56.05024	0.4
57.03429	2.1
57.07081	0.5
58.99593	1.3
61.02939	0.6
65.03947	0.6
67.04252	0.5
67.05507	11.8
67.88840	0.4
69.03430	1.0
69.06778	0.5
69.07075	4.9
70.34364	1.0
70.34722	0.9
71.01358	0.5
71.04980	0.9
73.01150	0.8
74.00673	2.4
76.02220	1.9
77.03928	0.5
79.05497	11.1
80.05021	1.8
81.03425	1.4
81.07064	23.3
83.04986	1.8
83.06101	1.9
83.08622	2.9
84.04501	3.9
85.01121	0.9
85.02904	0.8
85.06538	1.2
86.00640	1.1
88.02206	0.6
91.05495	7.4
93.07047	9.5
94.06565	1.0
95.04979	3.1
95.08617	11.0
96.05777	0.6
97.01132	1.1
97.06523	1.8
97.10156	2.0
98.21472	0.6
99.01411	3.1
99.02687	0.7
99.08119	0.5
100.02200	5.7
105.06400	0.7
105.07041	8.5
106.06590	0.6
107.04958	2.1
107.08598	6.3
108.08109	0.8
109.06518	6.4
109.10154	5.4
111.08077	1.4
112.02200	7.5
113.02985	1.6
114.03774	6.7
115.05733	0.5
116.01678	1.3
116.04743	1.0
117.07018	3.4
119.08598	6.9
120.08119	1.3
121.06504	2.4
121.10140	4.4
123.08070	2.0
123.11678	1.5
125.04240	1.4
125.09618	2.3
126.03736	3.1
128.06303	0.6
129.05498	2.5
129.06674	2.7
130.05013	1.6
131.08574	4.2
133.06474	0.9
133.10146	4.6
134.09619	0.6
135.08073	1.9
135.10550	0.4
135.11691	1.3
137.04202	0.7
137.09613	1.7
138.03740	2.3
138.10428	0.8
139.02176	0.6
139.03247	0.7
139.05835	0.5
139.11127	0.5
140.01636	0.5
140.05305	7.1
141.07034	0.8
142.06796	0.7
143.07014	0.6
143.08577	1.9
145.06259	1.0
145.10150	3.8
147.08064	1.6
147.11688	4.3
149.09642	2.7
149.13210	2.1
152.05321	2.0
154.06873	1.0
155.08374	0.5
157.08636	0.8
157.10144	1.2
159.11694	2.2
161.09625	1.8
161.13287	0.9
162.02205	1.0
163.11179	2.8
163.14906	1.0
165.07402	0.5
165.12837	1.0
166.06833	1.1
168.08443	15.9
169.10153	1.0
171.11676	1.4
173.09595	0.5
173.11887	0.8
173.13266	2.7
175.11270	0.8
176.03738	0.4
179.04929	1.2
180.08356	0.7
181.06097	0.8
183.11723	0.8
185.03796	2.3
187.05400	0.9
187.11243	0.9
189.12816	0.6
191.14359	1.6
202.04120	1.8
209.09305	0.6
216.05701	2.0
221.15373	0.6
229.14334	1.7
229.19434	0.6
231.04390	4.3
233.06044	1.1
236.14708	1.6
241.06487	1.3
250.18140	1.3
255.08034	2.7
256.08939	0.4
257.19089	0.8
264.14185	5.3
269.09598	1.6
270.10367	5.8
271.11218	1.2
273.18512	2.0
275.20108	6.3
290.97107	0.5
295.16110	1.1
296.16818	29.3
307.22702	3.1
308.09180	1.5
325.15744	1.1
333.18890	0.9
337.17618	0.6
338.21603	0.7
347.21954	0.8
349.23801	0.7
350.21417	0.9
364.23056	2.9
365.23251	3.1
382.24112	8.9
383.19809	3.4
398.18701	11.1
399.19595	2.8
417.20392	15.1
467.25803	100.0
468.26212	1.0
497.36914	0.5
507.25513	0.5
521.26758	0.6
539.27893	13.3
592.38477	0.6
596.30170	0.7
614.31006	7.4
614.40436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.1
53.03944	2.6
55.01873	4.1
55.05307	1.3
55.05516	12.5
55.35376	1.0
56.05040	1.2
57.03434	5.0
57.07071	1.1
60.02139	1.0
61.02925	2.4
65.03935	2.3
67.05509	23.3
69.03449	1.4
69.07082	9.7
70.06573	1.1
70.64898	2.2
70.65237	1.4
71.01366	1.4
71.04993	2.6
73.02921	1.0
74.00677	3.0
79.05069	1.6
79.05502	19.0
80.05012	1.5
81.03436	3.3
81.07067	35.2
83.04979	3.0
83.06113	2.7
83.08615	7.5
84.04510	3.6
85.02883	2.5
85.06557	1.5
86.00671	1.4
91.05490	16.2
93.07056	17.0
94.06575	1.4
95.04984	8.0
95.08620	14.5
97.02888	1.7
97.06539	4.9
97.10187	5.7
98.07334	1.1
99.01423	4.7
99.02687	1.3
100.02195	5.7
105.07030	11.8
107.04959	6.4
107.08608	13.1
107.86050	1.1
108.08125	1.6
109.06522	10.2
109.10174	13.2
110.07240	1.1
111.08102	2.1
111.27690	1.0
112.02183	6.0
114.03765	8.9
116.01689	2.1
116.04716	2.8
117.07037	7.7
119.08595	12.2
120.08121	1.4
121.06503	3.6
121.10151	7.4
123.08054	3.6
123.11667	2.0
125.09642	8.1
126.03729	2.3
129.05495	6.4
129.07005	2.3
131.08563	5.9
133.06494	3.0
133.10150	7.5
134.09692	1.1
135.08057	4.8
135.11696	3.0
137.04207	2.3
137.09627	4.2
138.03754	1.4
138.10388	2.2
140.05284	5.4
143.07086	1.4
143.08571	3.6
145.10155	8.3
147.08017	2.9
147.11691	6.4
149.09634	5.5
149.13297	1.7
152.05273	2.9
154.06880	1.7
155.10709	1.3
157.08623	3.5
157.10103	2.0
159.11739	3.6
161.09641	4.4
162.02135	1.8
163.11203	4.6
165.12782	1.4
168.08426	14.5
169.10114	1.3
171.11702	2.1
173.07251	1.4
173.11766	4.4
173.13277	4.6
175.11272	2.8
178.33369	1.1
184.07350	1.2
185.03827	3.4
185.13306	1.1
189.06746	1.4
189.12808	1.5
199.11107	1.2
203.14337	1.0
216.05684	2.2
218.15520	1.1
227.17938	2.5
229.14256	7.1
231.04303	5.1
233.05965	1.5
236.16591	1.4
255.08029	2.5
264.14142	7.0
269.09521	3.6
270.10349	5.0
271.11081	1.2
273.18533	7.7
275.20151	5.5
289.18170	1.9
295.15906	1.4
296.16800	31.7
307.22665	2.7
309.16318	1.7
313.16571	1.6
325.15585	2.0
333.18784	1.9
347.22174	2.6
349.23511	2.4
356.54916	1.2
364.22974	3.2
365.23349	13.3
366.35751	1.1
381.63977	1.1
382.24051	11.2
383.19907	14.1
398.18661	11.5
399.19434	2.6
417.20419	54.6
435.22971	1.2
467.25821	100.0
539.27832	14.3
596.30975	1.3
614.31256	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	614.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55764	0.3
51.84858	0.3
53.64026	0.2
55.05504	0.3
56.05033	0.3
58.06598	0.6
60.69864	0.2
63.02380	0.4
65.03938	1.3
67.05501	0.3
69.00688	0.2
69.07082	0.3
70.06602	1.8
71.11091	0.6
71.13634	0.2
72.08162	9.3
75.09232	0.4
83.13291	0.2
84.04494	0.4
84.08149	2.5
85.02931	0.4
86.09722	1.4
89.03919	2.6
91.05486	10.7
95.05019	0.3
96.92023	0.3
103.05449	0.3
110.09686	0.5
112.11255	3.9
117.03386	8.7
119.04950	22.1
120.08115	0.5
129.10278	0.7
129.13881	3.0
134.03664	0.7
135.04407	0.4
136.07654	0.3
137.05896	0.3
145.02853	32.5
146.16525	0.7
147.04417	100.0
148.04779	0.3
149.05984	2.3
155.11783	1.8
163.03949	0.4
172.14458	1.0
177.05479	48.8
186.05519	0.6
203.11813	3.8
204.10211	58.8
217.13417	0.4
218.11821	1.4
221.12766	1.3
232.12044	0.5
233.12932	0.6
234.11263	5.6
247.14459	2.3
248.12836	4.8
274.19147	0.5
275.17563	15.0
277.15329	0.4
292.20212	7.0
305.18539	2.0
318.18228	0.9
322.21213	6.8
348.19342	0.8
420.22855	2.1
421.21176	0.5
435.21536	0.4
438.23935	10.2
450.23926	35.9
451.22290	1.7
464.22113	0.3
468.24982	74.6
469.25177	1.1
614.28973	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	613.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01861	1.4
55.05516	14.8
57.03454	3.1
57.07084	4.0
58.42067	1.1
59.04999	2.0
59.82110	1.1
63.88385	1.0
65.03940	2.6
67.05509	35.9
68.05833	1.1
69.07069	14.9
71.05015	1.6
71.08656	3.0
71.53299	1.4
73.06574	1.5
75.04482	4.9
78.67995	0.9
79.05501	24.2
81.07059	35.5
83.04984	1.7
83.08620	7.8
85.06547	6.3
91.05486	22.4
91.06019	1.5
93.07047	27.3
95.04985	4.3
95.08614	30.4
97.06557	3.8
97.10187	4.3
99.08118	1.9
103.05521	1.2
105.04544	1.2
105.07040	28.0
107.08598	21.4
107.09303	1.5
109.06554	2.9
109.10155	16.4
111.08074	5.9
115.05459	1.6
115.07559	1.3
117.07011	10.3
119.08586	27.7
120.06818	1.1
121.06584	1.3
121.10160	20.7
123.08064	5.2
123.11725	5.0
125.09698	1.2
128.06287	2.2
129.07033	6.8
130.07790	1.0
131.08580	20.4
131.09544	1.4
133.10130	21.5
133.11064	1.2
135.08113	3.4
135.11690	12.4
137.09639	3.0
137.13313	1.7
139.11148	1.3
141.06982	1.7
142.07823	2.8
143.08571	12.8
144.09354	1.9
145.10132	23.6
146.10646	1.1
147.08121	1.6
147.11705	11.0
149.09691	3.2
149.13330	3.7
151.07584	1.7
151.11201	2.5
154.91852	1.0
155.06133	1.0
155.08582	4.9
156.09410	2.5
157.10149	11.9
159.08130	2.8
159.11703	14.2
161.09682	2.0
161.13287	7.8
163.11278	2.2
163.14821	1.6
165.09154	2.5
165.12808	2.0
167.08629	2.1
167.10614	2.0
168.09377	1.7
169.10167	8.0
171.11685	7.5
173.09732	1.4
173.13266	12.0
175.14871	7.4
179.08598	1.6
179.14328	2.3
181.10190	3.1
181.12231	1.1
183.11703	5.2
185.13245	8.1
187.14839	7.4
189.16415	1.4
191.14345	1.5
194.10945	1.7
195.11778	4.3
197.13246	5.8
199.11279	1.6
199.14896	4.1
201.12775	1.5
201.16560	3.6
203.14368	2.3
205.16014	3.3
207.11771	1.4
207.13899	1.4
207.17509	3.8
209.13396	3.7
211.11458	1.4
211.14952	3.8
213.16377	2.6
215.18057	3.0
217.19664	1.2
219.11830	1.3
221.13396	2.6
221.15504	5.3
223.14862	2.5
227.18095	2.5
229.19707	1.6
233.13113	1.9
235.14911	1.7
239.18010	1.7
245.22781	1.3
247.14877	1.3
247.20680	1.5
255.21382	1.1
259.20676	2.2
261.22269	2.8
263.18066	1.3
285.22195	1.3
287.20245	1.9
287.23984	1.3
333.24576	1.6
335.25912	2.1
356.35312	1.1
437.34131	1.2
521.36780	1.1
521.43622	4.4
539.45245	2.9
543.40466	1.4
581.40576	3.7
595.47668	8.5
613.48511	100.0
613.59662	6.9
614.49023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.29544	0.5
53.03957	1.5
53.59194	0.5
55.01860	0.9
55.05516	15.3
55.47975	0.6
57.03444	4.8
57.07085	2.9
65.03944	2.0
67.05508	44.0
69.07067	16.3
71.04992	1.3
71.08627	0.8
73.06572	0.7
75.04457	0.8
79.05499	26.5
81.07059	46.8
83.04995	0.8
83.08156	0.8
83.08624	8.5
85.06554	1.1
91.05485	19.9
91.40746	0.6
93.07049	31.7
95.04967	2.2
95.08611	36.4
97.06528	2.1
97.10166	3.6
99.08111	1.3
105.04555	0.9
105.07037	20.2
107.08603	23.0
109.06522	1.3
109.10160	19.2
111.08031	1.5
111.11768	0.7
113.09707	1.0
117.07024	8.4
119.08590	18.9
121.10143	16.3
123.08067	0.7
123.11716	8.4
128.06215	0.7
129.06995	3.8
131.08566	16.2
133.10135	17.0
133.11090	0.9
135.11700	11.0
135.84552	0.6
135.97308	0.6
137.13283	2.8
141.07040	1.4
143.08546	4.7
144.09288	0.6
145.10133	14.5
147.08087	0.6
147.11674	12.4
149.09653	0.8
149.13264	7.1
151.11201	0.6
151.14848	0.9
155.08592	1.3
157.10136	4.7
157.62975	0.7
159.11708	13.5
161.13252	9.0
163.11301	1.0
163.14848	3.6
169.10207	2.2
171.11714	4.7
173.13268	9.7
175.14839	4.6
177.16356	1.4
179.14458	0.7
181.10010	0.7
183.11748	2.3
185.13295	5.1
187.14871	5.1
189.16377	2.1
191.17982	1.3
197.13313	1.9
199.14833	3.6
201.16396	2.8
203.17935	1.0
205.19487	0.9
209.13417	0.7
211.14821	1.2
213.16437	0.8
215.18086	0.8
217.19473	1.0
223.14948	0.8
225.16461	1.0
227.16209	0.8
229.19551	1.6
231.21089	1.5
239.18002	0.8
241.19592	2.5
243.21216	2.4
245.19156	0.7
247.20673	1.3
259.20563	7.0
261.22162	8.8
263.23770	1.7
267.19843	0.7
268.02521	0.6
273.22354	1.1
275.23901	0.9
279.23401	0.8
285.22128	1.3
287.23825	1.8
299.23834	1.8
301.25171	0.8
303.26672	0.8
313.25388	1.7
313.34384	0.7
315.23215	0.8
317.24847	1.0
331.26160	0.7
333.24286	5.2
335.25839	12.9
337.27377	7.3
347.25745	1.2
355.30103	0.8
357.04431	0.7
451.35519	0.7
489.35541	1.4
503.36835	1.4
521.43518	4.6
529.38788	1.0
531.40881	0.7
539.44617	2.2
543.40515	1.7
571.84399	0.8
595.47186	10.5
600.76544	0.7
613.48291	100.0
614.48474	1.9
632.74823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02374	0.7
53.03937	2.8
55.01865	1.9
55.05516	18.7
56.00248	0.6
57.03445	5.1
57.07077	5.0
59.04992	1.7
63.66890	0.6
65.03948	3.0
67.05508	46.2
69.03414	0.9
69.07073	19.0
71.04993	1.0
71.08623	2.7
73.06558	1.1
75.04480	3.0
79.05500	26.0
81.07062	49.7
83.04987	1.5
83.08629	11.9
85.06542	5.1
91.04904	1.2
91.05484	26.8
93.07049	34.8
95.04993	3.8
95.08613	36.3
97.06526	4.1
97.10156	3.9
99.08107	2.5
103.05515	1.7
104.06239	0.6
105.04517	1.2
105.07038	34.6
107.08603	23.3
109.06537	1.6
109.10165	17.6
111.08100	2.7
111.11728	1.1
113.09648	0.9
115.05446	2.1
117.07014	11.0
119.08591	36.5
121.06516	0.9
121.10149	19.4
123.08071	2.8
123.11725	7.2
125.09653	2.4
127.72363	0.6
128.06239	2.4
129.07016	7.3
130.07826	1.2
131.07599	1.3
131.08571	21.1
133.09126	1.3
133.10135	25.1
135.08080	2.3
135.11688	11.3
137.09650	2.3
137.13272	2.3
139.11285	0.9
140.95323	0.7
141.07019	1.5
142.07838	1.7
143.08574	9.7
144.09360	0.9
145.10133	23.6
147.08086	1.5
147.11703	17.7
147.12813	1.3
149.09636	2.5
149.13263	7.1
151.07605	0.8
151.11235	2.0
151.14978	0.7
153.12761	1.0
155.08559	4.3
156.09416	1.3
157.10143	10.3
159.08093	1.4
159.11703	14.7
161.09616	0.9
161.13263	13.7
163.11218	1.6
163.14818	3.5
165.06987	0.8
165.09093	0.8
165.12775	1.7
165.16350	0.7
167.08563	1.3
169.10147	4.5
171.11688	10.3
173.09778	0.9
173.13271	12.4
175.11241	2.4
175.14853	10.2
177.12831	1.4
177.16446	1.3
179.08542	0.9
179.14325	0.9
181.10120	1.4
183.11617	4.2
185.13255	7.3
187.14819	5.7
189.12830	1.3
189.16443	2.4
189.35721	0.6
191.14264	0.9
194.10837	0.8
195.11714	3.2
196.12636	0.7
197.13309	2.8
199.14844	4.8
201.16420	4.2
203.14392	1.5
205.15919	0.9
207.11772	1.4
207.17418	1.2
209.13315	2.2
209.15349	0.8
211.14847	3.1
213.12808	1.0
213.16408	3.3
215.17847	3.2
217.19539	1.0
219.17488	0.9
221.13364	1.5
221.15431	1.1
223.14862	1.9
223.20580	0.6
225.16457	2.1
227.18019	1.5
229.19536	1.5
231.17442	1.0
231.21086	3.2
233.13258	0.7
233.19243	1.0
237.16505	1.1
239.18048	2.0
241.19604	10.4
243.21181	2.4
245.22696	1.0
247.14767	0.7
251.17976	0.8
253.19673	0.8
255.21121	1.5
257.19046	3.6
259.20575	21.6
261.22183	2.4
263.23761	1.5
267.21207	0.9
269.19025	0.8
269.22522	0.8
271.24399	0.8
273.22156	0.9
275.20325	0.9
277.21771	1.0
287.20230	0.9
299.23715	0.9
311.23660	0.7
315.23254	2.2
325.25604	0.7
333.24286	12.5
335.25854	5.8
337.27396	20.2
339.29431	1.1
355.30029	0.9
357.81015	1.0
369.31744	1.1
395.33331	0.7
437.34201	0.8
501.35895	1.0
503.42923	1.6
521.36493	1.2
521.43567	6.6
539.44653	2.5
543.40472	1.1
581.42090	1.3
595.47253	9.1
613.48340	100.0
614.48474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.7
53.03941	4.2
54.28562	1.9
55.01865	2.1
55.05295	1.6
55.05515	13.4
57.07076	9.8
58.21656	1.5
59.04996	3.4
60.94289	1.4
65.03911	3.7
65.11230	1.4
66.58810	1.6
67.04642	1.4
67.05505	29.0
69.03431	13.8
69.07063	15.6
70.97999	3.9
71.04996	3.5
71.08632	4.6
73.06544	4.8
73.22231	1.5
73.63994	1.4
77.03896	1.6
79.05497	23.0
81.07055	30.0
83.04962	2.8
83.08627	8.0
85.06537	2.4
85.10171	1.6
89.06026	6.2
91.05483	40.6
93.06481	3.3
93.07044	46.2
95.04969	10.0
95.08608	40.8
97.06533	2.2
102.15015	1.5
103.05484	3.4
105.07034	61.8
107.08601	50.8
109.06532	18.4
109.10162	39.5
111.08058	3.3
115.05416	4.0
116.06239	2.2
117.07015	16.2
119.06049	2.0
119.08589	71.5
121.06519	8.0
121.10152	63.3
123.08084	9.7
123.11701	10.1
123.32413	1.9
125.09624	3.0
128.06213	6.4
129.06993	12.9
130.07788	5.7
131.08568	34.6
133.06462	5.7
133.08566	5.3
133.10136	100.0
135.08063	12.6
135.10693	3.3
135.11699	47.8
137.09589	3.0
139.11212	1.9
140.50816	2.0
141.06999	7.2
142.07774	17.1
143.08582	24.3
144.09363	7.6
145.06493	3.7
145.10132	58.3
147.08029	8.4
147.11691	24.0
149.09592	4.6
149.13255	4.8
151.07549	2.1
151.11179	2.7
153.07010	3.1
153.09167	1.6
154.07718	2.2
155.08578	12.5
156.09338	8.9
157.10130	35.2
158.10876	5.5
159.08098	10.4
159.11702	28.4
160.12535	1.6
161.09590	5.9
161.13260	6.0
163.07545	2.6
163.11145	3.4
163.14847	3.4
165.07024	6.4
165.09143	2.2
166.07806	4.5
167.08588	6.9
167.10670	2.0
168.09375	3.2
169.10138	15.9
170.10919	5.3
171.08051	4.5
171.11696	21.1
172.12463	5.7
173.09662	5.7
173.13272	35.8
175.11198	5.0
175.14850	26.5
177.09145	2.4
177.12752	2.3
177.16466	2.1
178.07796	2.7
179.08554	5.7
180.09360	5.2
181.10159	11.3
181.11774	1.3
181.12102	1.4
182.10938	5.4
183.08066	2.3
183.11691	15.6
184.12424	3.8
185.09621	36.3
185.13226	13.0
187.07610	2.1
187.11154	5.4
187.14822	32.8
189.09152	4.5
189.12788	2.8
189.16365	5.7
191.08586	1.8
191.14307	7.0
192.09258	3.6
193.10176	9.8
194.10948	4.5
195.08142	3.6
195.11655	15.8
196.08861	3.1
196.12485	5.0
197.09644	6.5
197.13255	12.3
199.11148	9.3
199.14827	11.3
201.09122	2.3
201.12743	2.9
201.16400	5.2
203.14365	3.2
205.10175	3.3
205.15881	3.5
206.10864	4.5
207.11713	8.6
208.12645	2.5
209.09665	5.7
209.13318	10.4
210.14059	2.9
211.11255	11.8
211.14880	8.8
213.09172	2.4
213.12711	5.3
213.16438	3.7
215.14323	2.8
217.10025	2.5
219.11742	4.0
220.12370	3.4
221.13284	8.7
221.15390	3.8
223.11171	6.8
223.14786	8.2
225.12833	9.5
225.16315	7.4
227.10645	2.3
227.14357	3.9
227.17862	1.9
230.10971	2.3
231.11676	3.8
233.13266	5.8
234.13983	2.4
235.11095	4.3
235.14742	5.4
236.15820	1.7
237.12701	6.2
237.16338	4.0
239.14330	5.0
239.17953	3.9
241.12187	3.9
243.11746	2.2
243.13914	2.6
243.17397	3.0
244.12495	2.7
245.13284	4.6
247.11215	3.9
247.14813	4.9
248.11914	1.8
249.12680	4.3
249.16370	4.0
251.14317	7.3
251.17940	1.7
253.12231	2.8
253.15898	4.2
255.13887	3.2
255.17552	2.2
257.13260	2.7
258.14081	2.2
259.14822	4.7
261.12732	2.2
261.16412	2.7
262.13705	1.6
263.14279	4.1
263.18030	2.5
265.12494	1.8
265.15817	3.5
267.13824	7.2
267.17435	2.6
269.19104	1.8
270.13919	1.7
271.14737	3.7
273.16293	1.7
275.14258	3.9
275.17917	2.4
277.15894	4.4
277.19135	1.9
279.17419	4.2
289.15768	3.2
291.17453	2.1
293.15579	2.3
301.15881	3.7
301.19437	2.4
303.17224	2.3
307.17056	3.8
307.20377	2.3
319.20544	2.4
321.18567	2.7
321.22076	2.5
327.21161	2.1
331.20486	2.0
343.20392	1.9
345.22031	3.5
349.21582	2.9
357.22141	3.6
363.23215	30.1
369.22153	2.6
373.21255	2.2
373.25378	3.3
375.23120	4.8
387.23215	2.8
389.24741	3.3
393.31363	3.9
399.26614	2.1
415.25659	2.2
423.26608	1.8
425.27869	2.1
427.26086	2.3
429.27817	4.9
441.27975	4.4
443.29431	7.4
461.30414	4.8
465.31485	2.2
469.31473	2.0
481.30325	2.1
507.32962	2.5
545.37866	9.9
563.38910	25.4
581.39935	51.1
582.40936	2.4
595.38898	2.2
599.11890	1.8
613.41351	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	613.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43184	2.1
51.02385	3.3
53.03940	7.6
54.75061	2.0
55.01876	2.5
55.05514	23.0
57.07060	8.3
59.05008	5.9
65.03932	6.8
67.05505	42.8
69.03419	7.6
69.07071	23.1
70.06579	1.8
75.04483	12.2
79.05497	38.8
81.07061	52.5
83.04971	4.4
83.08624	12.2
85.06530	7.9
91.05486	68.0
93.07046	70.6
95.04960	11.6
95.08612	43.4
97.06516	5.8
98.20792	4.9
103.05484	5.8
105.04505	2.9
105.07033	100.0
107.08603	61.9
107.09275	2.3
109.06522	11.9
109.10159	43.4
111.04438	2.5
111.08057	6.3
111.11679	2.8
115.05440	8.7
116.06270	5.0
117.07018	32.1
119.08588	92.8
121.06511	14.0
121.10148	92.7
121.11048	3.1
123.08070	11.0
123.11726	12.9
125.05922	2.0
128.06201	8.6
129.07007	14.2
130.07782	7.9
131.08574	70.9
132.09290	2.5
133.06483	6.2
133.10135	70.1
135.08060	13.0
135.11678	29.7
137.09605	6.8
139.11189	3.0
141.06984	7.1
142.07780	19.3
143.08569	45.0
144.09331	9.2
145.06490	20.2
145.10138	83.7
147.08041	12.5
147.11696	33.3
149.05992	6.1
149.09648	13.9
149.13249	7.5
151.11128	3.1
153.07018	4.1
154.07800	4.3
155.08537	17.8
156.09338	12.7
157.10130	47.2
158.10889	8.2
159.08081	23.9
159.11697	40.6
161.09618	8.6
161.13231	15.6
163.07527	7.8
163.11191	5.8
165.06895	2.5
165.09082	5.3
165.12810	3.1
166.07837	2.4
167.08556	7.4
167.10652	21.4
168.09328	11.9
169.10156	28.2
170.10902	5.8
171.08104	3.9
171.11694	27.8
173.09669	14.0
173.13266	43.8
175.11163	9.4
175.14819	18.8
177.09079	6.5
177.12685	6.7
178.07764	2.9
179.08600	6.6
180.09338	5.4
181.10098	14.1
181.11954	2.8
182.10875	10.0
183.11696	20.6
185.09615	9.1
185.13277	16.4
187.07585	15.8
187.11198	6.8
187.14812	13.7
189.12746	5.8
189.16396	2.6
191.14212	2.7
192.09151	2.3
193.10168	7.1
194.10901	5.7
195.08060	2.5
195.11707	11.2
196.08899	2.7
196.12494	4.0
197.09621	4.6
197.13206	22.7
199.11171	6.8
199.14821	21.8
201.12706	15.3
201.16435	9.8
203.14268	5.8
207.11717	9.9
207.17416	4.5
208.12508	2.4
209.09741	2.8
209.13321	10.0
210.10522	2.7
211.11186	8.8
211.14816	8.5
213.12758	5.3
213.16438	4.3
215.14305	13.8
219.11734	4.3
219.13800	6.9
220.12517	2.7
221.13264	8.6
221.15306	3.0
223.11206	3.1
223.14816	6.9
225.12785	5.1
225.16434	5.0
227.17896	6.7
233.13251	5.0
233.15450	5.8
235.11105	3.3
235.14882	4.3
237.12700	5.2
237.16304	4.1
239.14301	3.6
239.17833	4.2
241.15871	2.7
241.19461	3.9
243.13780	3.5
247.14934	5.2
249.12810	3.6
249.16405	2.4
251.14287	3.5
251.17853	2.8
253.12450	3.5
253.15889	4.0
259.14685	3.6
259.20535	6.2
261.14828	6.2
265.15927	5.6
265.19485	3.6
267.17368	3.9
267.21103	2.4
273.18521	2.8
279.17456	2.5
281.18991	4.2
285.18588	2.9
291.17468	2.7
291.21027	3.5
319.24335	2.7
321.18210	2.6
327.19604	6.4
331.20633	3.7
337.27325	4.7
367.22653	4.3
369.24271	5.5
380.23523	2.6
393.24286	2.7
459.28415	3.4
461.30478	11.5
471.32367	3.2
489.33600	32.9
563.38629	5.9
581.39911	67.2
613.41034	7.7
613.47913	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75765	1.8
53.03938	6.6
54.41856	1.7
55.01854	2.3
55.05515	15.2
57.07060	7.0
59.05011	2.3
64.05653	1.9
65.03931	5.2
67.05506	28.5
69.03435	19.0
69.07068	17.0
71.04992	4.0
71.08596	2.1
73.06547	5.6
77.03948	1.9
79.05502	28.1
81.07064	32.7
82.07365	2.2
83.04977	3.9
83.08617	6.4
84.63419	2.3
85.06529	6.1
86.99860	1.7
89.06010	3.6
91.05485	41.9
92.05798	1.9
93.07047	54.1
95.04974	8.2
95.08611	41.1
97.06510	2.6
97.10184	2.3
99.08068	3.5
103.05459	3.4
103.42770	1.6
105.04536	2.7
105.07039	72.3
107.08601	57.8
109.06499	9.1
109.10157	36.1
111.08083	3.8
115.05440	5.6
116.06233	1.7
117.07020	14.7
118.07829	2.3
119.08584	78.7
121.02752	1.6
121.05785	1.6
121.06509	8.7
121.10147	60.5
123.08067	19.9
123.11691	10.2
125.09618	3.3
128.06210	6.5
129.07011	18.1
130.07800	2.3
131.07617	2.6
131.08572	34.4
132.08916	1.8
133.06502	4.4
133.10138	100.0
135.08075	8.4
135.11703	41.2
137.09625	5.5
139.11174	1.7
141.06972	7.1
142.07787	20.1
143.08569	22.9
144.09283	4.2
145.06487	5.5
145.10135	55.5
147.08055	11.5
147.11702	26.8
149.09590	8.0
149.13243	5.8
151.07532	3.2
151.11157	3.1
153.07011	3.0
153.12756	1.9
154.07762	2.8
155.08522	9.4
156.09370	9.4
157.08972	2.8
157.10147	39.8
158.10870	6.6
159.08051	11.4
159.11716	29.6
161.09660	8.5
161.13286	8.4
163.11176	7.0
163.14838	2.3
165.06982	5.7
165.09099	3.5
165.12773	5.2
166.07835	2.7
167.08537	7.0
168.09305	3.4
169.10146	15.3
170.07281	4.2
170.10857	7.0
171.08025	4.5
171.11713	20.6
172.12202	1.9
173.09583	7.4
173.13275	43.7
175.11169	4.3
175.14824	27.6
177.12790	2.2
178.07774	2.6
179.08575	9.9
180.09328	5.3
181.10039	10.6
181.12285	2.2
182.10887	4.6
183.11679	16.2
184.12241	2.0
185.09625	54.5
185.13307	12.4
187.11185	6.3
187.14836	34.4
189.09108	4.0
189.12737	3.6
189.16437	5.4
191.14334	13.7
192.09439	2.6
193.10110	6.8
194.10939	5.2
195.08031	4.0
195.11707	11.8
196.08836	2.1
196.12477	5.3
197.09673	8.3
197.13283	12.8
199.11197	11.1
199.14868	10.1
201.12709	5.0
201.16402	8.5
205.10150	3.9
205.15916	3.8
206.10907	3.1
207.11705	10.2
208.12389	2.9
209.09615	5.6
209.13275	12.0
210.13948	2.3
211.11234	11.0
211.14799	10.5
213.12811	8.2
213.16478	8.6
215.14290	2.4
217.10141	2.9
218.10930	2.5
219.11702	4.7
221.13254	8.7
221.15352	4.5
222.10411	2.0
223.11140	7.7
223.14825	5.2
225.12732	8.3
225.16360	5.6
227.10600	3.5
227.14365	3.0
227.17924	2.6
229.10170	2.5
229.12273	3.0
231.11707	2.4
232.12444	2.6
233.13214	4.3
233.18936	2.5
234.13991	2.5
235.11139	5.7
235.14856	5.2
237.12779	8.3
237.16365	4.8
239.10509	2.0
239.14267	6.5
241.12157	4.4
245.13239	5.4
246.14113	2.5
247.14868	6.9
249.12709	6.4
249.16420	5.7
251.14326	9.7
251.17999	3.9
253.12230	4.6
255.13812	6.1
257.13193	2.2
258.14114	2.1
259.14771	5.9
261.12738	3.5
261.16266	4.2
263.14276	4.9
265.15787	3.2
265.19434	2.2
267.17368	2.3
269.18881	3.1
271.14777	3.9
273.16367	4.9
275.14316	3.5
275.17758	3.0
277.15768	5.4
277.19345	2.7
279.17508	4.4
287.14389	2.2
289.15848	5.2
289.19379	2.7
291.17514	2.4
291.20819	2.7
295.17072	3.0
303.17343	3.4
305.15668	2.3
305.19034	3.0
317.18820	2.4
321.18518	2.6
321.22134	5.0
331.20367	2.9
339.26572	2.0
345.21979	4.3
357.22128	6.1
363.23114	12.5
371.23984	2.5
373.25211	3.3
375.23138	6.3
377.25235	2.4
381.24097	4.9
399.26862	2.1
404.68454	1.9
415.25610	2.2
425.28284	3.2
441.27771	4.0
443.29401	7.5
459.29291	2.0
461.30386	12.8
521.36169	3.4
545.37622	4.1
563.38678	21.9
581.39905	58.2
595.45294	2.4
613.42529	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
53.65068	1.0
54.15126	1.0
55.01878	1.7
55.05515	9.5
56.29745	1.5
57.07082	7.5
59.05010	6.6
65.03946	3.3
67.05510	15.9
69.03434	6.0
69.07075	9.3
70.41179	3.9
71.05001	1.9
73.06558	7.3
79.05497	16.1
81.07059	21.7
83.04989	14.2
83.08607	7.9
85.06556	9.7
91.05482	23.5
93.07053	26.0
95.04977	6.7
95.08619	14.8
97.06538	3.5
98.97575	1.0
99.04479	1.5
103.05461	2.5
105.04529	1.5
105.07040	46.5
107.04973	1.5
107.08609	28.3
109.06515	9.8
109.10162	18.7
111.08119	5.1
115.05460	2.2
117.07017	10.1
119.06096	2.3
119.08588	42.7
121.06512	6.3
121.10152	22.0
123.08064	17.7
123.11719	2.2
125.06015	3.4
125.09625	6.1
128.06215	5.6
129.07005	9.7
130.07800	2.9
130.79144	1.1
131.08572	21.8
133.06514	2.1
133.10139	23.6
133.11095	1.8
134.01285	1.3
134.18279	1.2
135.08066	13.9
135.11723	6.5
136.08861	2.2
137.06006	1.4
137.09607	13.1
139.07574	2.2
139.11212	10.5
141.07002	4.5
141.09163	1.4
142.07787	12.7
143.08565	20.9
144.09381	4.3
145.06487	2.8
145.10141	24.7
147.08066	13.9
147.11693	7.8
149.09628	54.1
149.13239	1.8
151.07552	9.8
151.11189	5.0
153.07034	3.1
153.09129	2.0
154.07813	1.9
155.08549	10.5
156.09352	10.1
157.10130	27.9
157.11333	2.2
158.10921	4.0
159.08044	6.8
159.11699	15.5
160.08864	2.0
161.09651	9.1
161.13287	3.6
162.10324	1.2
163.11194	9.2
165.07011	2.8
165.09114	19.7
165.12814	3.8
167.07320	1.5
167.08568	5.9
167.10716	8.7
168.09363	5.9
169.07742	1.2
169.10135	17.2
170.10947	4.7
171.11694	15.6
173.09608	6.5
173.13286	14.4
174.10428	2.2
175.11185	10.7
175.14763	2.7
177.09247	2.3
177.12750	2.8
178.06549	1.3
179.08557	5.8
179.10722	2.8
180.09364	3.1
181.10153	8.9
181.12259	5.2
182.10982	6.3
183.08163	1.5
183.11729	19.6
183.13841	3.7
184.12576	2.8
185.09695	3.7
185.13257	6.7
187.11237	5.2
187.14879	3.6
188.12047	1.3
189.12787	6.1
191.10680	1.6
191.14395	4.8
192.09521	2.0
193.10181	9.2
193.12263	5.5
194.11006	4.7
195.11749	9.9
195.13524	2.0
196.12590	3.7
197.13257	12.7
198.10526	1.2
199.11227	4.7
199.14890	4.6
200.12180	1.3
201.12769	3.9
203.10583	1.3
203.14365	10.1
205.10237	2.6
205.15843	8.4
206.10988	3.8
207.11766	11.4
207.13838	7.2
208.12622	2.1
209.09828	1.5
209.13350	12.9
209.15210	2.3
210.13988	1.3
211.11281	2.9
211.14890	5.4
212.53137	1.2
213.09032	1.1
213.12790	3.8
213.16551	2.0
215.14360	4.7
217.10077	1.7
217.15948	4.2
219.11653	3.0
219.13617	1.9
220.12497	3.3
221.13289	6.9
221.15335	39.7
222.14040	1.5
223.11276	2.9
223.14912	3.9
223.17021	11.4
225.12885	2.6
225.16412	3.1
227.14369	3.3
229.12270	2.6
231.11778	4.6
231.13878	1.6
231.17548	2.0
232.12436	1.6
233.13263	5.1
233.15509	3.9
234.13976	2.3
235.14877	5.5
237.12762	1.9
237.16394	2.8
239.14355	3.3
241.15808	1.6
243.11707	2.1
243.13927	2.0
244.12509	1.7
245.13382	4.5
246.13956	1.9
247.14827	5.9
247.17099	3.2
248.15594	1.3
249.12794	1.3
249.16412	2.0
249.18567	10.2
251.14235	2.2
253.16019	2.4
257.13223	1.7
258.14066	2.8
259.14706	2.6
260.15555	2.7
261.16354	1.8
263.18066	3.0
265.15997	2.0
265.19559	2.2
267.17480	1.8
269.18936	2.2
271.14825	2.2
273.16315	2.9
275.17953	2.0
281.18979	6.8
285.18478	3.6
287.20477	2.6
289.19305	2.4
293.05450	1.5
293.19171	2.0
295.20587	2.2
299.20288	2.6
303.20969	1.3
311.20197	2.9
312.20743	1.3
313.21680	4.8
315.23318	3.6
317.18100	1.5
325.21609	1.8
333.22296	2.1
351.23318	1.6
355.24246	1.4
364.23965	1.9
373.25241	3.1
377.24838	3.4
379.25946	1.2
405.28162	2.6
415.28580	11.0
429.30026	4.7
434.65506	1.3
437.30655	1.3
455.31613	8.3
489.33499	5.6
507.34631	4.0
521.36279	79.5
534.36902	2.4
553.27234	1.6
581.39691	4.5
595.42267	1.4
613.42578	100.0
614.42200	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	613.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
54.86466	2.2
55.01878	4.6
55.05515	24.1
56.05864	2.0
56.16195	2.0
57.03437	5.8
57.07070	8.7
58.83848	2.0
59.05010	4.1
65.03930	4.3
67.05508	52.6
68.05836	6.9
69.03432	7.7
69.07076	31.3
71.04993	2.9
73.06559	5.5
75.04485	12.2
75.34216	1.9
79.05492	46.4
80.05815	5.8
81.07059	59.3
82.07398	9.8
82.96931	2.2
83.04966	4.6
83.08633	11.4
85.06544	13.3
91.04919	3.4
91.05483	56.6
91.06024	3.7
92.05827	7.9
93.07048	77.4
94.07381	8.9
95.04937	10.9
95.08610	47.7
96.08950	7.8
97.06540	5.8
97.10163	3.4
98.20741	5.6
100.06338	2.1
103.05479	5.1
105.07035	77.6
106.07378	4.9
107.08601	50.5
108.08925	6.3
109.06528	7.0
109.10156	30.3
110.10497	4.4
111.08072	7.7
115.05432	10.0
117.07024	21.3
119.06067	2.6
119.08587	68.3
119.28759	2.0
120.08953	6.9
121.06522	9.3
121.10146	83.0
122.10478	4.2
123.08073	8.3
123.10955	2.0
123.11688	10.3
125.09557	2.0
128.06227	7.2
129.07008	13.2
130.07779	6.0
131.08583	51.2
132.08957	6.0
133.06503	4.4
133.10133	49.2
134.10466	4.0
135.08061	8.5
135.11702	23.3
136.12006	5.6
137.09593	4.8
139.11220	3.3
141.07016	7.7
142.07817	11.7
143.08589	28.8
144.09177	4.7
145.06514	4.9
145.10141	54.6
146.10503	7.2
147.08038	12.6
147.11717	23.7
148.12009	5.1
149.09634	20.3
149.13275	4.4
150.13562	3.3
151.07593	2.7
151.11206	3.6
153.06981	2.6
153.54694	2.0
154.07756	3.3
155.08539	11.6
156.09247	6.2
157.10147	31.7
158.10698	3.9
159.08090	19.6
159.11714	31.5
160.12048	4.2
161.09645	6.2
161.13240	10.6
162.13614	4.0
163.07520	2.8
163.11203	5.1
163.14914	3.2
165.07011	3.7
165.09027	3.5
167.08557	5.6
167.10687	54.9
168.09343	3.4
169.10143	18.7
170.10889	4.2
171.07990	2.8
171.11691	20.3
172.12146	3.6
173.09647	6.0
173.13319	28.7
174.13626	6.0
175.11226	8.0
175.14812	18.0
177.09116	8.3
179.08572	2.8
180.09396	2.6
181.10144	9.1
181.12218	3.2
182.10808	3.1
183.11719	11.9
184.12148	2.9
185.09627	4.2
185.13370	9.8
186.10425	2.6
187.07596	10.2
187.11162	3.3
187.14844	13.2
189.12743	3.8
189.16446	4.2
193.10150	5.2
194.10907	2.6
195.11714	12.7
196.12422	2.7
197.09625	3.0
197.13235	11.4
199.11142	4.7
199.14862	12.4
201.12761	7.5
201.16351	5.6
203.14388	3.2
205.16113	2.4
207.11734	6.6
207.17458	6.1
208.12457	2.7
209.13200	10.7
210.13844	3.8
211.11298	5.3
211.14833	7.9
213.12764	3.8
213.16437	4.2
214.16771	2.1
215.14294	7.7
219.11684	3.2
219.13734	3.6
221.13232	5.2
221.15408	5.4
223.14859	6.5
224.15385	2.8
225.12775	5.7
225.16341	3.9
227.14398	2.6
233.15517	6.5
235.14905	5.5
237.12816	2.6
237.16278	4.3
239.14281	2.3
239.18027	3.0
241.19470	4.3
242.19940	2.7
245.13200	3.0
247.14751	3.0
249.16411	3.1
257.18921	2.3
259.20474	7.6
260.20947	7.5
261.21405	2.9
263.17993	2.7
265.19370	5.2
289.17926	2.6
291.17627	2.6
297.18549	3.3
327.19611	4.1
330.87411	2.1
333.24249	3.1
334.24661	4.7
335.25510	7.4
336.26010	5.9
337.26587	6.4
381.24261	3.1
489.33578	17.4
521.42560	5.7
539.43469	3.4
563.38196	3.7
581.39832	36.1
595.46307	8.8
612.59015	3.2
613.47949	100.0
613.59210	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	613.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
53.06926	0.6
55.01873	0.8
55.05512	23.3
56.05013	1.6
57.07053	2.2
67.05482	2.5
68.04980	0.6
69.03403	1.5
69.07072	3.7
70.06271	1.0
70.06596	11.4
71.52258	0.7
72.08164	3.6
73.02879	0.8
73.06507	0.7
74.06040	0.9
78.04670	0.7
79.05484	1.0
81.03404	1.1
81.07047	2.5
82.06585	4.2
83.04560	0.7
83.04985	7.0
83.08167	1.3
83.08624	18.0
83.09113	1.0
84.04478	2.3
84.08150	8.0
85.02904	1.7
85.06523	2.6
86.09714	7.3
88.78200	0.7
91.05457	2.1
93.07041	1.1
94.06562	1.0
95.04951	1.0
96.08085	0.7
97.02858	0.8
97.04514	0.6
97.06512	1.9
98.06051	0.7
98.09687	3.9
100.07000	1.0
100.07625	17.7
100.11266	66.6
101.06012	1.2
105.07009	0.9
109.02877	0.9
109.06526	0.9
110.06020	2.0
110.07159	2.5
111.04450	27.7
111.05222	1.3
112.07623	8.4
115.05451	0.9
115.07546	1.7
115.84828	0.8
117.07006	2.3
117.13829	0.8
119.04950	1.9
119.08584	0.8
120.08101	3.3
123.04457	1.7
123.08070	0.6
126.09151	5.8
127.03876	0.9
127.08707	1.3
128.07094	20.9
129.05461	1.9
129.10234	3.0
133.10149	0.9
136.07532	2.0
137.05986	2.8
139.08670	2.7
140.07071	11.6
143.07048	1.5
145.06419	2.9
147.04422	2.6
147.11700	1.9
149.13278	1.2
150.06363	0.6
155.05928	0.7
164.14343	1.6
166.15964	1.6
167.07051	14.3
168.13869	1.7
173.06036	4.0
181.05002	5.6
182.15417	87.5
192.13841	3.0
192.96127	0.6
201.76367	0.7
209.16505	14.2
210.14908	100.0
226.19156	2.3
227.17566	6.6
228.15961	11.0
235.04677	0.7
235.09546	0.9
242.17525	6.6
245.18594	3.7
259.20197	6.4
309.25302	0.8
336.22739	3.1
337.21246	13.6
354.23978	1.7
355.22296	11.7
359.77698	0.8
368.25613	2.3
369.23856	17.2
385.12921	3.1
387.14404	1.5
417.15457	1.8
435.33325	1.5
436.31937	2.0
453.34317	3.6
454.32828	4.4
467.36505	1.2
468.34256	5.5
471.35168	0.9
485.22705	0.7
485.37119	1.2
563.37872	3.6
574.61914	0.9
577.39746	0.8
581.39203	8.3
583.23187	0.8
595.33319	0.8
595.40698	32.8
613.22601	7.4
613.41772	90.6
614.42096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01866	0.8
55.05511	3.0
57.03444	0.7
57.07074	1.7
59.04993	2.4
65.03944	1.1
66.28894	0.6
67.05505	7.7
69.03424	3.9
69.07069	8.7
69.76548	1.8
69.76959	2.2
71.04967	1.0
72.14123	0.7
78.11323	0.6
79.05492	11.8
79.98859	0.6
81.03430	1.2
81.07055	11.2
83.04987	2.9
83.08610	1.2
85.06543	2.7
91.05486	13.5
93.07044	28.2
95.04973	4.8
95.08613	8.5
96.65311	0.6
97.02898	1.0
97.06521	3.3
97.10187	0.8
97.14533	0.6
103.05497	1.7
105.07032	20.0
107.04948	2.0
107.08589	8.8
109.06513	4.2
109.10160	4.2
111.04438	2.5
111.08044	0.9
111.11729	1.6
113.06023	0.6
115.05496	1.4
117.07025	4.9
119.04966	1.5
119.08585	17.6
119.46944	0.6
121.06559	4.1
121.10145	35.5
123.04449	1.2
123.08070	6.5
125.05989	1.5
128.06244	3.0
129.06998	4.0
130.07813	1.0
131.08571	8.9
132.09386	1.0
133.06453	3.3
133.10133	8.2
135.08031	5.2
135.11676	1.8
137.05977	1.2
137.09601	3.7
139.07556	1.6
139.11201	2.1
141.07034	2.0
142.07712	3.6
143.08553	7.5
144.09355	2.0
145.06500	1.6
145.10132	13.0
146.07231	0.9
147.08049	7.1
147.11676	3.1
149.02361	1.5
149.09627	9.7
149.13264	0.7
151.07542	6.0
151.11243	0.9
153.07022	1.5
154.07730	0.9
155.08524	5.0
156.09372	2.6
157.06552	0.8
157.10129	9.7
158.10898	1.5
159.08043	4.0
159.11690	5.3
160.08842	0.8
161.09634	5.5
161.13251	1.7
163.07523	1.0
163.11177	3.1
165.07040	1.8
165.09119	8.0
167.08481	2.2
167.10678	61.5
168.09398	1.6
169.10132	5.9
170.10936	1.5
171.08020	1.2
171.11656	5.2
172.08850	0.8
173.09669	3.5
173.13277	2.7
175.11145	3.5
177.09119	2.3
177.12766	1.0
179.08565	3.9
179.10631	0.8
180.09341	1.9
181.10175	4.0
181.12241	1.8
182.10916	1.6
183.08112	1.4
183.11678	6.1
185.09636	3.2
185.13277	1.6
187.07585	1.5
187.11244	2.5
189.09149	0.9
189.12694	3.2
191.14360	1.0
192.09380	1.0
193.04967	1.2
193.10216	3.0
193.12163	1.3
194.10884	1.4
195.08038	0.9
195.11714	6.1
196.12552	1.2
197.09634	2.6
197.13310	3.0
199.11270	3.5
199.14883	0.7
201.09109	1.5
201.12794	2.2
203.10719	0.8
203.14352	1.9
205.10236	0.9
206.10944	1.3
207.11716	3.2
207.13863	4.0
208.08911	0.7
208.12537	1.4
209.09599	1.1
209.13289	3.1
211.11258	2.9
211.14864	1.2
213.12744	2.3
215.14410	1.4
217.10289	1.0
219.11717	1.9
219.13683	1.2
220.12407	1.1
221.13312	3.2
221.15439	9.1
223.11186	2.0
223.14870	1.7
225.12781	2.3
225.16417	1.4
227.14470	0.9
229.12276	2.2
231.11789	1.1
232.12511	0.8
233.13268	2.0
233.15459	2.2
235.11285	0.9
235.14990	1.6
237.12775	2.0
238.08057	0.9
239.10764	0.9
239.14334	1.0
241.16089	0.8
243.11653	0.8
243.13799	1.4
243.53676	0.7
245.13390	1.5
249.12799	0.9
249.16466	0.7
251.14366	1.5
253.15981	0.9
261.14813	3.3
263.14221	0.9
265.16003	1.0
267.17358	1.0
271.17206	0.9
279.17664	1.2
283.17078	1.5
285.18503	2.0
286.19244	2.2
287.16528	3.8
287.19894	1.1
289.18317	1.4
299.20145	1.5
311.20230	1.2
312.20953	1.1
313.18015	6.5
323.20428	0.8
327.19739	1.0
337.07150	0.7
363.23331	1.0
377.24911	1.2
387.23193	1.0
405.24402	2.6
415.26260	0.7
464.67880	0.8
469.29590	1.2
479.31537	4.9
507.30972	0.7
521.32623	9.8
577.36639	0.8
595.37988	4.2
613.38898	100.0
614.38904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01872	8.8
55.05505	12.7
56.05027	2.2
57.03439	13.7
57.59138	2.3
59.05016	2.9
61.02921	5.0
67.05506	65.8
69.03425	9.8
69.03780	2.7
69.07076	35.8
69.78730	6.8
69.79143	5.4
70.06587	10.9
71.04997	8.3
72.08176	5.6
73.06528	2.5
79.05491	27.0
81.03425	15.3
81.07061	46.1
83.04989	9.9
83.08625	10.2
84.04527	3.5
84.08157	8.1
85.02916	10.3
85.06551	5.2
86.09715	8.5
88.01510	2.2
91.05482	26.4
93.07052	30.3
94.29581	2.4
95.04970	10.3
95.08608	32.3
97.02919	4.3
97.06541	18.0
97.10168	5.3
97.18443	2.2
99.08110	3.7
103.03960	7.1
105.07030	20.0
107.04958	7.6
107.08597	19.3
109.06488	3.8
109.09460	4.7
109.10160	46.9
111.08105	8.2
114.00114	2.6
117.07042	10.8
119.08574	23.1
120.08122	2.9
121.06499	3.9
121.10168	13.0
123.08039	5.5
123.11726	4.5
125.09599	3.2
127.03924	8.2
129.05484	2.8
129.10254	4.1
131.08612	12.0
133.10139	14.9
135.08040	4.9
135.11694	9.1
137.09619	13.9
139.11163	4.7
143.08559	4.0
145.10135	10.6
146.83360	2.3
147.04414	3.3
147.11719	7.7
148.73059	2.6
149.09618	12.5
149.13268	5.6
151.11211	3.1
155.10635	4.5
157.10132	4.1
159.11734	16.2
159.71922	2.1
161.13278	5.6
163.11157	6.0
167.10510	2.8
169.10251	4.0
171.10226	7.2
171.11633	2.8
173.11758	29.9
173.13222	5.7
177.12743	11.6
179.14354	5.2
184.07365	7.3
189.11279	2.5
189.12868	2.6
193.12296	4.9
193.70534	2.4
195.13757	3.8
209.48309	2.6
214.07932	2.6
227.12489	3.2
229.14345	100.0
239.17792	2.5
243.15768	5.2
247.20532	4.2
257.19092	4.0
269.17480	47.0
271.15466	3.2
273.18546	3.7
275.20065	21.8
285.17099	2.6
291.19516	3.1
349.23776	46.2
367.24850	10.1
381.26260	5.4
473.16284	2.5
521.65930	2.5
612.31677	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	611.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19182	0.5
51.02386	0.6
53.03945	1.5
55.01882	1.8
55.05516	12.8
57.03436	2.8
57.07077	2.9
59.04995	0.5
65.03944	1.0
67.05511	21.7
69.07074	10.7
69.22025	4.6
71.04998	1.3
71.08635	1.5
75.04485	0.6
79.05502	14.6
80.05832	0.5
81.03481	0.5
81.07065	22.8
83.05003	1.8
83.08627	6.4
85.06549	1.3
85.10217	0.5
91.05489	12.2
93.07053	14.5
95.04986	2.3
95.08616	18.1
96.08974	0.6
97.06506	2.2
97.10166	2.9
97.97790	0.5
99.08103	0.7
103.05479	0.5
105.04529	0.6
105.07041	14.6
106.07346	0.6
107.04957	0.9
107.08602	8.7
109.06523	1.2
109.10168	8.1
111.08110	1.2
113.09669	0.5
115.05432	0.6
117.07011	7.0
119.08595	11.8
121.10164	6.9
123.08086	1.4
123.11716	1.9
125.09675	1.7
128.06248	1.6
129.07016	7.9
130.07797	0.9
131.08582	15.1
133.10146	9.8
133.11089	0.7
135.08043	0.8
135.11694	3.9
137.09628	1.0
141.06993	2.8
142.07828	2.5
143.06862	0.5
143.08574	11.4
143.09685	0.6
144.09283	0.5
145.10135	13.8
145.11301	0.7
147.11687	4.8
149.09636	0.9
149.13289	1.9
151.11212	0.9
153.07108	0.8
155.08553	7.1
156.09303	0.9
157.10143	11.2
158.10864	0.5
159.11697	10.8
161.13301	3.0
163.11194	0.9
163.14865	1.3
167.08595	2.8
167.10744	0.5
168.09428	0.9
169.10152	8.9
171.11691	9.8
173.13272	6.0
175.14847	2.4
177.16409	0.8
179.08604	0.9
179.14244	0.8
181.10146	4.5
183.11710	8.5
185.13272	6.3
187.14827	4.6
189.16451	1.2
191.17934	0.5
193.10167	1.2
195.11725	4.0
197.13293	5.7
199.11305	0.6
199.13266	0.8
199.14890	5.8
201.16418	2.8
203.17998	0.8
205.10300	0.5
207.11699	0.9
208.12393	0.5
209.13312	3.0
211.14856	4.4
213.16502	4.3
215.17992	2.5
221.13292	1.3
223.14848	2.6
225.16418	3.4
227.14471	0.6
227.18048	2.6
229.19595	2.2
233.13446	0.5
233.60300	0.5
235.14952	1.5
237.16431	1.9
239.18040	2.6
241.19640	2.8
243.21109	1.0
249.16548	1.0
251.18048	1.9
253.19571	1.6
255.21335	1.1
257.19156	1.0
257.22598	0.7
259.20544	0.9
263.18143	0.6
265.19672	1.3
267.21152	1.3
275.20105	2.8
275.22855	0.5
279.20996	0.8
281.22922	0.8
283.20764	0.7
295.24097	0.5
297.22314	1.1
297.25797	0.8
299.20035	0.5
309.22162	0.6
313.21744	0.7
323.23828	1.0
325.21854	0.6
325.25433	1.1
339.26971	1.7
341.24661	0.9
341.28427	0.7
353.28418	1.1
367.30237	0.9
375.26755	0.5
379.25842	0.6
379.30469	0.7
381.32004	0.7
383.29568	0.6
393.31729	0.6
395.33701	0.7
435.32373	0.7
449.34265	0.8
451.35941	0.6
467.35486	0.7
501.40820	1.6
519.42072	10.6
537.43262	5.8
541.38721	0.6
567.43750	0.6
569.40607	0.5
575.44617	1.8
593.45673	13.8
611.46747	100.0
612.47040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26998	0.7
53.03943	2.8
55.01873	1.4
55.05243	0.9
55.05514	14.0
55.40120	0.7
56.90305	0.7
57.03432	4.7
57.07072	3.1
62.25209	0.7
65.03938	1.5
67.05508	37.5
67.65717	0.7
69.07069	12.0
69.96963	0.7
70.69929	2.3
71.04999	1.6
71.08624	0.9
74.79870	0.7
76.37473	0.7
77.03922	1.4
79.05024	0.7
79.05496	27.7
81.07060	39.6
83.04986	1.5
83.08626	7.6
85.06535	2.1
86.06513	0.6
91.05483	24.4
93.06593	0.5
93.07047	30.5
95.04983	3.1
95.08611	30.5
97.06554	2.1
97.10170	3.6
99.43474	0.8
104.11245	0.7
105.04533	1.1
105.07034	25.7
107.08601	18.6
109.10160	12.8
111.08093	1.3
113.09652	0.8
115.05463	1.3
117.07030	11.8
119.08584	25.6
121.10147	15.4
121.10936	1.2
123.11726	4.1
128.06233	1.8
129.06996	8.6
130.07796	1.5
131.08572	20.8
133.10139	19.2
135.08070	1.0
135.11705	12.0
137.08536	0.8
137.09604	1.0
137.13289	1.4
139.11252	1.0
141.06999	2.1
142.07762	1.5
143.08553	8.8
145.10127	18.2
147.11685	16.0
149.09549	1.2
149.13272	5.9
151.14752	0.9
155.08545	4.0
156.09325	1.0
157.10143	9.9
159.11705	13.5
161.09688	0.8
161.13251	9.5
163.11246	0.8
163.14850	3.2
167.08658	1.7
169.10153	5.4
170.10995	1.0
171.11699	11.5
173.13271	10.9
175.11206	0.9
175.14806	4.3
177.12671	0.9
181.10149	2.3
183.11639	5.4
185.13277	8.8
187.14841	4.1
189.16438	2.2
195.11729	2.0
197.13272	4.7
199.14842	4.7
201.16420	3.1
203.17975	1.0
209.13332	2.3
211.14867	2.7
213.16486	4.6
215.17917	1.8
217.19431	0.9
223.14717	0.9
225.16447	1.5
227.18144	1.5
229.19559	1.4
231.21222	2.4
235.14897	1.1
239.18108	2.2
241.19623	7.2
243.21214	1.9
250.81735	0.9
251.17978	1.3
253.19894	1.2
255.21426	0.8
257.19153	2.8
259.20584	16.9
261.22168	3.6
297.22052	1.1
307.40359	0.8
311.23654	0.9
313.25650	1.0
315.23331	1.4
333.24240	9.5
335.25803	15.9
337.27509	1.3
339.26834	1.1
351.25842	0.8
353.28436	1.6
367.30148	1.5
387.37402	0.8
451.71616	0.7
487.34589	0.9
489.36209	1.0
501.41037	1.1
519.42108	6.1
537.43280	3.1
541.38806	1.1
555.40771	0.9
593.45544	8.2
611.46735	100.0
612.47229	1.3
619.74890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62310	0.9
53.03945	2.5
55.01867	1.5
55.05265	1.4
55.05513	16.8
57.03438	5.3
57.07065	4.6
57.67194	0.8
65.03957	2.9
67.05508	43.5
69.07072	17.0
69.25861	3.0
69.26294	4.2
71.04985	2.4
71.08640	1.5
77.03965	0.9
78.96603	0.7
79.05495	30.6
80.06259	0.8
81.07058	44.5
83.04980	2.6
83.08630	8.0
85.06549	2.6
89.06053	2.0
91.04910	1.2
91.05483	29.1
93.07050	36.8
93.07643	1.9
95.04975	3.4
95.08609	32.4
97.06548	2.5
97.10171	3.1
99.08105	1.5
105.07038	29.4
107.08597	23.2
107.09308	1.3
109.10163	15.8
111.08060	1.7
111.11717	0.9
115.05478	1.5
117.07019	10.9
119.08589	28.8
121.06503	0.9
121.10143	18.7
123.08097	2.0
123.11698	5.4
125.09671	1.6
128.06252	2.0
129.07004	8.6
130.07846	1.3
131.08572	22.0
133.10138	22.1
135.11697	10.9
137.13287	2.0
139.11214	1.2
141.07024	2.3
142.07782	1.5
143.08560	10.4
145.10126	20.1
145.99286	0.8
147.11700	18.2
148.24680	0.8
149.09605	1.0
149.13280	6.5
155.08522	4.6
156.09315	1.5
156.83435	0.9
157.10132	14.1
159.11703	16.0
161.09642	1.0
161.13264	12.6
163.14862	3.5
167.08548	1.5
167.10698	0.9
168.09358	1.1
169.10164	5.7
171.11670	13.1
173.13272	12.9
175.11139	1.0
175.14861	7.0
177.16400	1.3
181.10164	2.6
183.11737	6.1
185.13257	8.4
185.46501	0.8
187.14801	6.1
189.12859	1.0
189.16391	1.9
195.11734	1.9
197.13336	4.0
199.14764	5.8
201.16455	3.3
203.17970	1.0
208.12303	0.9
209.13326	2.7
211.14888	2.9
213.16454	3.0
215.18001	2.6
221.13235	1.4
223.14882	1.8
225.16428	1.4
227.18030	1.8
229.19524	2.0
231.21028	1.9
239.18036	1.6
241.19580	8.9
243.21214	1.6
247.16954	0.9
249.16385	1.0
251.18031	0.9
255.19774	1.1
257.19067	3.9
259.20560	17.8
261.22171	3.2
273.22110	1.0
275.20303	0.9
297.22083	1.1
315.23175	1.7
331.22678	1.5
333.24237	11.9
335.25806	22.8
337.27454	2.8
339.26801	1.1
353.28644	1.6
519.41821	6.2
523.38080	1.0
527.37476	1.2
537.43030	4.2
541.38751	1.2
593.45520	10.0
611.46710	100.0
612.46783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.4
55.01873	15.8
55.05510	56.0
57.03433	12.2
57.07055	3.6
64.33844	3.1
65.03933	7.4
67.05505	77.9
69.03419	8.6
69.07077	27.4
71.04977	9.2
71.53515	4.1
76.68198	2.6
79.05070	5.4
79.05496	71.7
79.39433	2.6
81.03416	21.2
81.07059	75.1
83.04982	35.5
83.08621	29.7
85.02900	10.4
85.06541	8.6
91.05474	48.6
93.03424	3.7
93.07048	65.7
94.07909	3.4
95.04972	91.6
95.08607	31.1
95.77114	3.0
97.02905	4.1
97.06549	18.5
97.10159	13.6
99.04465	7.3
99.08087	4.9
105.07018	38.4
107.04961	50.0
107.08598	56.6
109.06509	16.7
109.10160	17.2
111.04462	50.5
111.08109	15.2
116.31255	3.2
117.07041	26.4
119.08588	38.5
121.06496	15.6
121.10159	53.2
123.08044	9.5
125.05954	4.0
125.09641	14.8
127.03944	5.4
129.06989	7.5
131.08583	28.2
133.06445	4.5
133.10144	17.6
135.08073	9.7
135.11700	40.8
139.11125	4.2
143.08575	4.8
145.06500	7.5
145.10129	57.9
147.08072	5.0
147.11681	6.0
149.09602	29.3
153.12730	14.1
155.08578	12.5
157.10101	6.4
159.11714	11.8
161.09668	3.2
161.13365	3.2
163.11192	64.9
165.12715	3.8
168.98734	2.8
169.10085	4.5
171.11722	4.7
173.09619	24.7
173.11742	5.0
181.12221	19.6
187.11143	5.1
189.11205	16.1
191.10709	26.2
201.12613	3.7
205.12245	8.7
209.11705	13.6
223.13312	63.6
227.12842	19.8
239.17938	6.0
247.20374	3.9
257.19098	8.5
265.14346	100.0
275.20065	72.8
283.15421	63.0
293.21133	57.0
294.89694	3.1
301.16492	59.6
303.04718	3.8
306.63190	3.4
349.23703	18.7
355.07410	4.8
367.24838	31.9
393.28403	3.1
463.59787	3.2
529.35144	3.8
539.33533	5.7
557.34772	24.8
575.35748	42.8
593.36920	33.2
611.33081	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	611.1607
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03941	0.3
57.03443	2.1
61.02915	0.7
68.99777	0.3
69.03422	1.0
69.94984	1.1
70.06578	0.3
71.04996	10.4
73.02934	0.5
75.04453	0.3
81.03422	0.3
83.04970	0.5
85.02911	13.3
87.04469	0.3
91.03963	0.4
95.04949	0.2
97.02895	1.2
98.21404	0.4
99.04388	0.2
109.02875	0.3
111.00790	0.6
111.04389	0.3
120.54279	0.2
121.02887	0.6
127.03934	0.6
129.05499	3.3
130.73372	0.2
137.02356	2.7
137.12730	0.2
145.04941	0.7
147.06522	1.1
149.02362	0.4
153.01851	2.8
163.03987	0.4
165.01839	1.2
173.06010	0.3
176.16463	0.2
183.02910	0.7
201.05502	1.4
219.06482	0.3
229.04956	3.1
247.06070	0.7
257.04446	1.9
261.32111	0.2
274.04816	0.4
285.03836	1.3
287.05521	0.4
303.05005	100.0
304.05396	1.0
465.10431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03709	0.7
53.03942	7.4
55.01876	8.7
55.05512	22.7
57.03193	0.6
57.03438	4.2
57.07063	1.7
65.03947	3.9
67.05506	61.7
69.03423	2.1
69.07070	34.6
70.10213	1.5
71.04988	2.2
77.03909	1.7
79.05495	61.3
81.03420	6.6
81.07057	70.1
82.11060	0.6
83.04987	7.7
83.08621	8.7
85.06551	2.8
91.05482	71.2
93.07045	61.9
95.01331	12.9
95.04972	12.4
95.08608	44.5
95.09241	1.0
96.63031	0.7
97.06532	17.1
97.10158	3.8
99.08082	1.8
103.05467	2.7
103.32027	0.5
105.04549	4.1
105.07033	76.9
107.04956	18.1
107.08594	26.7
109.06519	5.9
109.10162	11.4
111.04437	1.0
111.08091	2.7
113.09631	1.3
115.05457	1.4
116.06216	1.0
117.06233	1.1
117.07027	17.9
118.07799	0.7
118.78275	0.6
119.08582	38.4
121.06547	3.0
121.10152	18.1
123.04445	2.3
123.08051	5.0
123.11701	2.8
125.09653	2.1
128.06242	1.3
129.07031	3.6
130.07782	1.3
131.08568	30.1
133.06491	1.5
133.10133	43.9
135.08054	3.5
135.11685	10.6
137.09622	2.1
139.07532	1.2
139.11200	1.2
141.06998	1.9
142.07851	0.7
143.08583	4.5
144.09372	0.8
145.06511	2.1
145.10120	23.2
147.08075	1.0
147.11691	20.1
149.09618	6.3
149.13246	5.4
151.11160	1.4
153.12744	0.8
154.07742	0.7
155.08592	2.1
157.10110	3.3
159.08046	1.1
159.11691	12.3
161.09628	1.0
161.13246	7.3
163.11162	3.8
163.14836	1.3
165.09142	1.9
165.12802	0.9
169.10091	1.7
171.11685	3.6
173.13309	4.8
175.11208	1.3
175.14880	1.2
177.12759	3.5
179.14320	17.9
183.11736	2.6
185.13344	1.4
187.11136	2.8
187.14830	0.8
189.12839	1.0
193.12303	0.8
195.11641	0.7
195.13806	1.2
197.13292	2.0
201.12798	1.2
201.16483	1.2
203.14360	0.6
205.12135	1.2
207.13971	0.8
211.15031	0.6
215.18018	1.1
219.13846	0.7
219.17462	12.3
223.13240	0.7
229.19545	1.7
233.15398	1.3
239.18016	2.7
241.14436	1.7
243.21114	0.8
247.20502	2.8
257.19037	9.6
261.22174	1.1
275.20065	100.0
279.15851	0.6
293.21152	8.5
317.24634	1.0
331.22821	1.8
335.25931	1.4
349.23618	3.4
609.45148	99.1
610.45300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02367	0.6
53.03938	1.5
55.01869	0.9
55.05270	0.9
55.05516	10.6
57.03441	3.2
57.07071	2.2
59.55116	0.4
60.81588	0.4
65.03938	1.2
67.05508	19.7
67.20041	0.4
68.78353	0.4
69.06731	0.7
69.07076	9.6
69.17654	5.0
71.05004	0.8
71.08614	0.4
77.03921	0.4
79.05499	13.6
79.05962	0.7
81.07062	19.9
83.04991	0.9
83.08627	5.8
85.06539	0.8
91.05486	11.5
93.07049	13.1
95.04974	1.1
95.08614	17.5
97.06546	1.7
97.10163	3.4
103.05465	0.8
105.07039	11.2
107.08600	8.9
108.24825	0.5
109.10162	6.9
111.08092	0.8
115.05479	0.9
116.06196	0.4
117.07027	6.3
119.08591	11.5
121.10156	6.7
123.08107	0.7
123.11736	2.5
125.09621	0.7
128.06229	2.5
129.06998	7.8
130.07761	0.7
131.08569	10.7
133.10141	9.9
135.11685	3.0
137.09598	0.5
141.07005	4.0
142.07799	2.2
143.08578	10.7
143.09706	0.7
144.09412	0.6
145.10132	11.8
147.11679	5.0
149.09645	0.5
149.13290	1.9
149.25674	0.4
153.07040	1.0
154.07770	1.5
155.08565	10.5
156.09375	1.4
157.10143	11.7
159.11694	6.4
161.13280	2.4
163.14833	1.1
165.06969	0.6
167.08571	4.8
168.09364	1.2
169.10129	13.4
170.10960	0.8
171.11707	9.4
173.13275	4.8
175.14839	1.7
177.16479	0.8
179.08565	1.9
180.09323	0.5
181.10136	7.1
182.10901	1.3
183.10086	0.7
183.11707	14.2
185.13261	7.4
187.14780	3.2
189.16412	1.3
193.10139	2.7
194.10866	0.5
195.11711	7.4
196.12532	0.5
197.13283	11.2
199.13191	0.7
199.14807	4.6
201.16415	2.0
203.17932	0.9
207.11670	2.4
208.12662	0.5
209.13274	6.1
211.14836	6.7
213.14586	0.7
213.16374	4.0
215.18021	0.6
219.11775	1.0
221.13232	2.6
223.14833	4.7
225.16417	3.5
227.18109	2.6
233.13327	1.0
235.14795	2.6
237.16418	3.4
239.18024	3.0
241.17793	1.1
241.19913	0.8
244.00523	0.5
247.14841	1.1
247.90976	0.5
249.16306	1.3
251.17897	2.6
253.19595	1.7
255.19490	0.6
263.17926	1.0
265.19507	1.0
267.21118	0.9
275.20377	0.8
277.19586	0.8
279.21179	0.7
281.18948	0.7
283.20761	0.9
291.21021	0.6
293.22583	0.6
295.20575	0.6
299.23895	0.5
305.19147	0.6
309.22318	0.7
311.20239	0.7
313.21643	0.9
319.24380	0.6
321.22076	1.5
321.25665	0.5
323.23721	1.5
325.25269	0.6
327.23187	0.6
335.23578	1.0
337.25473	1.4
339.23264	0.8
339.26935	0.7
341.24719	0.5
349.25446	1.2
351.26923	1.5
363.26694	0.8
365.24420	0.5
365.28537	1.3
377.28418	1.0
379.30328	0.7
381.27756	0.7
391.30005	0.6
393.27512	0.7
393.31918	0.9
395.29666	0.6
407.29028	0.6
411.29117	0.6
422.88699	0.5
435.32742	0.5
447.32678	1.9
449.34323	0.9
461.33850	0.6
499.39392	1.3
513.35291	0.5
517.40460	11.7
521.36340	0.8
535.41602	5.5
539.37292	1.6
541.38733	0.6
553.42029	1.0
555.42084	0.7
565.42706	0.5
573.43060	2.0
591.44122	13.4
609.45160	100.0
610.45294	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	609.4512
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03941	1.9
55.01870	1.7
55.05268	0.9
55.05513	10.0
57.03429	2.3
57.07059	1.4
62.36769	0.5
65.03930	1.4
67.05507	19.9
69.07071	9.2
70.38773	0.5
71.04985	1.7
71.28613	0.6
75.36831	0.5
79.05492	13.0
81.07060	19.2
83.04980	1.3
83.08623	4.9
85.06542	1.0
91.04913	0.7
91.05481	14.4
93.07043	15.6
95.04964	1.1
95.08607	15.7
97.06526	1.7
97.10177	2.9
103.05475	0.7
105.07034	12.2
107.08594	9.6
109.06547	0.7
109.10159	6.4
111.08080	1.2
112.14680	0.5
115.05457	1.6
116.06142	0.6
117.07019	7.9
119.08578	11.5
121.10146	6.6
123.08064	1.0
123.11749	1.1
125.09624	1.0
128.06232	1.8
129.07005	6.4
131.08568	9.7
132.25482	0.5
133.10135	8.9
135.08044	0.7
135.11696	4.4
137.13292	0.8
141.06979	3.7
142.07790	2.2
143.08575	10.2
145.10129	12.1
147.11707	5.0
149.09653	0.9
149.13290	1.6
151.11325	0.6
153.06953	0.8
154.07794	1.0
155.08551	8.4
155.09724	0.7
156.09314	1.4
157.10138	9.5
159.11679	7.9
161.13248	2.9
163.11113	0.9
163.14876	1.1
165.07004	0.9
167.08545	3.6
168.09373	1.3
169.10126	10.9
170.10921	1.2
171.11690	8.7
173.13277	4.6
175.14836	2.1
179.08546	1.6
179.14268	0.8
181.10110	6.5
182.10870	1.0
183.11699	11.9
183.13251	0.9
185.13280	5.9
187.14781	2.8
189.16405	0.8
191.08580	0.9
193.10129	2.1
195.11671	6.4
196.12492	0.8
197.13255	8.3
199.13196	0.9
199.14818	4.4
201.16403	1.4
207.11714	2.2
208.12578	0.6
209.13258	6.6
211.14847	5.6
213.16391	3.0
215.17854	0.9
219.11732	0.6
221.13307	2.2
223.14821	4.1
225.16422	3.5
227.17975	1.9
229.19522	0.8
231.43311	0.5
233.13466	0.7
235.14902	1.7
237.16440	2.8
239.14259	0.6
239.17987	2.0
241.19720	0.9
249.16365	1.1
251.18021	2.0
253.19633	1.2
255.21291	0.6
257.19064	2.3
263.18030	0.8
265.19586	1.2
271.20660	0.7
275.20157	2.8
279.21109	0.6
281.22537	0.6
297.18729	0.5
297.22189	0.9
299.20041	0.7
304.32602	0.5
307.24442	0.5
309.22052	0.8
311.23743	0.7
321.22174	0.8
323.23795	1.1
325.25360	0.7
327.22989	0.6
335.26089	0.9
337.25510	1.4
339.23117	0.7
351.26965	1.2
353.24597	0.6
355.26398	0.7
363.26880	1.2
365.28448	1.3
379.30154	1.4
381.28131	0.7
391.29883	0.6
393.31699	0.9
395.98773	0.6
425.30353	0.7
433.31155	0.8
435.32538	0.8
447.32510	1.6
449.33789	0.7
461.33994	1.1
463.42786	0.6
473.32651	0.6
499.39090	1.0
501.35806	0.7
517.40509	10.6
535.41595	5.3
539.37170	1.3
553.42712	0.7
573.43103	1.4
591.35480	0.9
591.44092	11.2
609.45129	100.0
610.45422	1.5
612.02966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
52.64765	0.6
53.03932	1.4
54.09895	0.8
55.01883	1.8
55.05513	15.8
57.03428	3.3
57.07074	2.5
65.03945	1.1
67.05508	22.2
69.07069	12.5
71.04964	1.2
79.05494	14.2
81.07059	23.9
83.08631	7.1
85.06540	1.6
91.05489	13.3
93.07048	17.3
94.69550	0.9
95.05003	1.0
95.08609	20.6
97.06533	2.3
97.10180	4.8
102.42299	0.7
105.07040	12.8
107.08598	10.5
109.10167	8.0
111.08099	1.8
115.05430	1.5
116.07644	0.7
117.07014	7.5
119.08584	13.8
120.94424	0.8
121.10141	7.4
123.08106	1.3
123.11739	3.0
125.09666	1.6
128.06238	2.8
129.07019	10.9
130.07892	1.0
131.08569	12.7
133.10159	10.5
135.11728	4.1
137.13194	1.4
141.06960	5.0
142.07796	2.7
143.08566	14.6
145.10123	12.9
147.11703	5.2
149.13275	2.3
153.07025	1.8
154.07854	0.9
155.08551	11.6
156.09370	2.1
157.10129	15.0
157.11311	1.0
159.11711	11.9
161.13266	3.4
163.14824	1.8
165.06973	1.6
166.07809	1.0
167.08595	7.4
168.09392	2.3
169.10133	19.7
170.10985	1.2
171.11681	12.8
173.13240	5.2
175.14874	1.9
177.12778	0.9
179.08569	2.6
181.10100	9.1
182.10953	1.2
183.11714	17.3
185.13269	9.6
187.14844	3.8
189.16454	0.9
193.10168	3.6
195.11702	10.5
196.12425	1.0
197.13235	14.4
199.13191	1.4
199.14825	5.4
201.16345	2.2
204.93440	0.8
207.11757	4.1
209.13257	10.0
211.14784	10.1
213.16483	3.7
215.17911	1.3
219.11659	1.3
221.13338	3.5
223.14870	7.0
225.16379	5.9
227.18126	4.2
229.55154	1.0
233.13289	1.2
235.14857	3.1
237.16377	4.5
239.17928	3.8
241.19588	2.3
249.16335	2.5
251.18007	3.4
253.19666	1.6
255.21362	0.8
263.17856	2.0
265.19577	2.6
267.21158	2.3
285.22095	0.9
287.23322	0.8
293.22235	0.9
295.20563	1.4
309.22147	1.2
321.21985	1.3
323.23782	1.4
325.25421	1.0
335.23663	0.8
337.25000	1.2
349.25183	1.6
351.26889	2.5
365.28613	1.3
367.26364	1.1
377.28674	0.9
391.30051	1.2
397.27527	1.0
403.29950	0.9
421.30991	1.5
447.32422	1.5
461.33704	1.5
475.35806	1.4
499.39725	2.1
517.40411	15.3
525.35443	1.0
535.41742	7.2
539.37054	1.5
553.42499	1.3
573.43152	2.6
586.73199	0.8
591.44110	20.4
609.45160	100.0
610.45428	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01870	19.1
55.05267	2.9
55.05509	29.3
57.03442	9.0
62.06092	2.2
65.03935	5.2
67.05508	61.3
69.03426	5.7
69.07074	16.6
69.74659	3.4
69.75069	5.6
70.06590	3.4
71.04997	6.8
71.19083	1.9
79.05497	67.0
81.03421	17.4
81.07059	100.0
83.04983	34.7
83.08620	12.5
84.04485	1.8
84.08134	4.0
85.02899	8.0
85.06538	5.8
86.09715	3.3
91.05482	37.1
93.03374	1.7
93.07049	49.2
94.07844	1.5
95.04967	26.4
95.08607	24.3
97.02893	3.3
97.06532	16.1
97.10184	13.4
99.04465	6.4
99.08112	2.6
105.07037	28.8
107.04964	27.8
107.08595	36.1
109.02889	2.3
109.06533	12.8
109.10164	17.0
111.04444	43.4
111.08084	16.9
117.07025	17.8
119.08600	26.7
120.08128	2.2
121.06516	12.5
121.10150	29.5
123.08067	30.1
123.11726	2.0
125.06010	5.6
125.09645	17.4
128.06262	2.4
129.05446	1.7
129.07005	8.5
130.07787	4.2
131.08589	19.4
133.06493	2.7
133.10159	10.8
135.08043	9.6
135.11691	30.2
136.07599	2.4
137.09601	4.4
139.07542	2.9
141.06929	1.9
143.08562	8.2
145.06499	5.0
145.10121	36.2
147.08066	9.5
147.11700	5.4
149.09645	11.6
151.11232	2.5
153.09027	2.5
153.12724	18.3
155.08572	7.8
157.10117	6.0
159.11684	4.9
161.09641	5.9
163.11191	48.4
165.09125	3.8
165.12764	1.8
171.11670	2.6
173.09615	17.5
175.11038	1.6
181.10696	2.8
181.12239	24.4
185.13257	2.1
187.38870	1.6
189.11238	15.5
189.12753	2.2
191.10672	24.5
193.12253	2.7
199.11241	2.6
199.14827	2.2
205.12270	3.1
209.11682	12.0
211.13251	2.3
219.13979	1.9
223.13342	8.5
227.12775	37.0
242.71365	1.9
245.18842	2.4
247.10335	1.7
255.17599	2.8
265.14355	46.3
273.18484	31.1
283.15421	36.1
291.19550	66.6
301.16489	23.1
309.20633	4.8
329.21396	1.7
347.22107	8.7
365.23227	22.6
435.24185	2.6
539.56262	1.7
555.33179	7.6
573.34326	20.8
591.35400	19.8
609.35956	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01871	4.1
55.05515	18.4
56.05056	4.3
57.03438	5.1
57.07067	8.3
57.07324	2.1
57.63219	2.0
58.42339	1.8
58.78152	1.8
67.05512	17.7
68.59383	2.7
69.03438	15.6
69.07076	100.0
69.33776	14.6
69.34189	4.4
70.06596	29.1
70.43887	2.0
71.04987	2.7
71.06905	2.2
71.08609	2.1
72.08156	15.8
73.02908	3.6
79.05505	17.3
81.03410	8.7
81.06594	3.8
81.07063	73.4
83.04988	6.4
83.08629	11.4
84.04530	9.9
84.08150	30.5
85.02908	18.3
85.06541	8.8
86.09715	24.5
87.00821	2.8
88.03977	4.7
91.05489	8.8
93.07043	21.2
95.04973	9.0
95.08613	45.2
97.02882	6.3
97.06536	10.8
97.10161	6.7
99.04453	2.3
99.08093	8.4
101.06012	2.6
105.01891	4.2
105.07048	10.9
107.04966	3.4
107.08588	18.0
108.15002	2.3
109.02926	10.2
109.06551	4.5
109.10164	29.8
111.04423	5.4
111.08119	10.0
111.11725	27.5
113.06003	2.3
117.07011	3.9
119.04955	2.4
119.08625	9.9
120.08096	17.6
121.10189	14.4
123.08060	6.5
123.11716	40.0
123.93459	2.0
125.09635	5.0
127.03928	10.6
127.11201	14.6
129.10233	12.5
131.08554	6.2
132.08093	3.0
133.10133	9.0
135.08153	3.5
135.11697	10.9
136.07565	7.5
137.05946	1.9
137.09656	3.2
137.13261	6.4
139.11163	19.1
145.10104	3.4
147.07912	2.6
147.11649	6.1
149.09619	2.3
149.13263	6.8
151.14830	3.9
153.12770	12.1
157.12245	7.4
159.11723	4.3
161.13225	2.8
163.11192	6.2
165.12741	4.7
171.13799	4.4
173.13196	2.8
179.14452	2.4
187.73653	2.1
189.11154	2.3
191.10643	3.3
195.97227	2.0
205.44919	2.5
219.17522	2.8
227.12779	4.8
237.18495	9.3
255.19623	4.9
273.18546	6.1
277.25302	3.6
281.25024	3.5
289.25220	6.3
291.19550	19.3
295.26321	28.7
307.26361	40.1
309.20508	2.5
325.27393	49.4
335.59888	2.3
343.28375	5.4
364.50421	2.2
365.23233	15.3
591.24396	4.5
609.23755	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47750	1.6
55.01870	2.9
55.05515	10.1
56.05029	3.9
67.05511	10.8
69.03411	2.4
69.07066	6.1
69.17393	2.0
69.17782	15.8
70.06587	13.6
72.08163	9.0
74.06057	2.2
79.05509	8.0
81.03416	3.3
81.07061	20.9
83.04979	3.3
83.08609	4.3
84.04515	6.7
84.08154	15.2
85.02905	2.9
86.09707	13.4
88.03952	1.5
91.05493	8.7
91.80003	1.6
93.07049	6.8
94.96664	1.7
95.04977	5.0
95.08619	4.3
97.02836	1.6
97.06537	2.9
97.10172	6.8
103.05487	1.6
105.07030	5.2
107.04992	3.3
107.08610	7.0
109.06555	3.2
109.10175	3.8
110.35090	1.6
111.04443	4.9
111.08054	2.0
117.07017	3.5
119.08582	6.1
120.08118	12.0
121.06541	2.3
121.10135	4.9
123.08097	7.4
125.09626	6.2
129.10220	6.9
131.08588	3.6
133.10149	3.0
135.08075	3.9
135.11696	5.2
136.07590	6.1
137.09615	2.0
139.11217	2.7
145.10138	5.6
147.04443	4.7
147.08044	3.5
147.11676	2.5
149.09616	2.1
152.12206	1.8
153.12740	2.8
157.10120	2.5
159.09215	2.1
159.11632	2.9
161.09622	3.0
163.03830	2.1
163.11188	7.5
165.09045	2.3
173.09549	1.8
175.11212	3.1
181.12236	3.8
184.07443	1.8
188.07002	1.5
189.11238	8.8
191.10745	2.3
193.12213	1.9
196.61455	1.5
216.13388	1.7
223.13354	1.5
227.12813	7.7
245.13921	2.0
255.17467	2.9
273.18509	17.9
283.15390	3.6
285.45560	1.6
291.19562	59.2
301.16446	2.4
309.20612	10.4
347.22232	8.8
365.23251	100.0
383.24316	65.2
495.65854	1.7
608.35846	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	609.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65707	0.9
55.01860	2.3
55.05271	1.2
55.05515	13.3
56.05040	1.5
57.03426	3.1
57.07070	4.0
59.04989	2.1
61.02922	1.2
67.05508	9.1
67.56336	1.0
68.05049	1.5
69.03429	6.0
69.07073	100.0
70.06601	10.8
71.04999	1.8
71.31609	2.2
72.08149	3.8
73.02917	1.6
79.05503	3.9
81.03416	5.4
81.06593	1.9
81.07059	32.8
83.04942	1.1
83.08607	6.0
84.04493	3.8
84.08157	10.3
85.02902	10.6
85.06538	4.1
86.06075	1.7
86.09710	7.9
87.00840	5.1
91.05479	3.1
93.07051	10.8
95.04944	1.1
95.08616	23.8
97.02887	4.4
97.06538	5.7
97.10172	3.6
99.04455	1.4
99.08089	3.7
101.06030	1.8
105.01878	4.0
105.07024	5.3
107.08596	7.3
109.02888	5.2
109.06499	1.5
109.10165	17.2
111.08083	3.2
111.11733	30.6
119.08595	5.2
120.08134	5.0
121.06523	1.7
121.10132	11.0
122.98896	1.1
123.08119	1.4
123.11724	23.5
127.03929	6.5
127.11192	4.5
129.10260	4.1
129.12758	2.0
131.08539	1.8
132.08049	1.1
133.10150	3.7
135.08139	1.3
135.11696	6.9
136.07578	2.4
137.09575	1.3
137.13284	2.6
139.11182	25.1
145.04930	1.7
145.10190	1.7
147.04430	1.3
147.11705	3.4
149.13274	7.7
151.14813	5.7
153.12785	2.9
157.12239	9.0
159.11684	3.1
161.13272	2.7
163.11253	1.5
163.14832	2.4
165.12796	3.3
173.13297	1.5
175.14822	1.0
177.16335	1.3
179.14340	2.7
201.16374	1.2
219.79205	1.0
231.05048	1.2
237.18503	1.5
245.21400	1.1
263.23618	1.7
271.24240	1.3
273.18002	1.4
277.25330	2.5
289.25235	7.2
295.23105	1.9
295.26334	28.1
307.26318	60.5
325.27390	35.8
343.28137	1.7
366.23718	1.4
384.24609	3.3
415.28094	1.2
433.29285	1.8
450.58392	1.1
537.30371	1.8
537.86652	1.2
555.31683	1.5
609.22296	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01876	2.5
55.05515	12.7
57.03444	3.5
57.07076	1.2
59.05024	0.5
65.03937	1.4
67.05509	27.6
69.03433	2.6
69.07071	12.5
71.04996	2.6
71.53356	0.6
77.03951	0.8
79.05498	18.0
79.05977	0.9
81.03422	7.1
81.07062	29.8
83.04982	3.1
83.08617	6.5
85.02905	0.9
85.06536	2.1
91.04906	0.8
91.05486	19.0
93.07047	20.8
95.04977	3.5
95.08613	19.4
97.02903	1.3
97.06541	3.3
97.10165	2.7
99.08099	0.7
103.05469	0.9
105.04536	1.1
105.07036	16.2
107.04980	2.0
107.08601	12.0
109.02864	1.7
109.06519	2.3
109.10160	7.2
111.04445	0.8
111.08089	1.4
113.09663	0.5
115.05466	1.4
117.07025	9.4
119.08581	11.3
121.06513	1.4
121.10151	6.2
123.08073	1.4
123.11745	2.4
125.09628	1.6
128.06230	2.7
129.05527	0.6
129.07005	8.0
130.07800	0.9
131.04913	0.7
131.08577	12.8
133.06503	1.4
133.10141	9.6
135.08031	1.6
135.11705	4.0
137.09634	1.0
141.06990	5.7
142.07791	2.6
143.08575	10.5
144.09341	0.7
145.06415	0.6
145.10133	11.4
147.08075	1.6
147.11691	6.4
149.09637	1.3
149.13278	3.4
151.11169	0.6
153.06979	1.4
154.07793	1.3
155.08556	9.0
156.09325	1.6
157.10129	8.4
159.08148	0.7
159.11693	7.9
160.63475	0.5
161.09686	0.7
161.13229	2.5
163.11162	1.0
165.07024	1.9
165.12746	0.5
166.07750	1.1
167.08583	5.5
168.09361	2.0
169.10136	12.1
170.10886	0.5
171.08057	0.6
171.11697	8.1
172.12357	0.5
173.09743	0.9
173.13275	4.8
175.11124	0.5
175.14890	1.1
177.12740	1.5
178.07890	0.7
179.08574	4.3
179.14342	0.5
180.09349	1.8
181.10139	10.6
182.10950	1.5
183.11710	11.4
184.12370	0.5
185.13263	4.2
187.11235	0.6
187.13324	0.4
187.14742	2.4
189.12802	0.5
189.16386	0.5
191.08575	1.0
192.09311	0.9
193.10150	5.0
194.10945	1.4
195.11725	9.5
195.13808	1.7
196.12524	1.0
197.13255	8.2
199.14835	2.9
201.12820	0.7
201.16423	1.3
203.08585	0.6
203.14291	0.4
205.10170	1.4
206.10910	1.1
207.11720	5.5
207.13594	0.8
208.12500	1.1
209.13263	8.1
211.14839	4.8
213.12859	0.6
213.14673	0.6
213.16437	1.6
215.17955	0.6
219.11896	2.0
219.13708	0.7
220.12401	0.7
221.13283	6.1
222.14073	0.5
223.14836	5.9
224.15672	0.5
225.16455	2.9
227.14476	0.6
227.17979	1.3
231.11641	0.6
233.13304	2.2
233.15385	0.6
235.14841	2.9
236.15482	0.5
237.16382	3.5
239.17941	2.3
241.19690	0.6
243.21179	0.5
245.13223	0.7
247.14854	1.4
249.16479	2.6
251.18016	1.9
253.19678	1.1
257.18970	1.2
259.14728	0.5
259.20685	0.9
261.16370	0.7
263.17917	2.4
265.15628	0.6
265.19589	2.0
269.17319	1.1
273.18646	1.0
275.20361	2.3
277.19577	1.2
279.21021	1.3
283.20694	0.5
291.20981	0.5
293.18832	0.5
293.22449	0.5
297.21960	0.6
299.23569	0.5
303.16159	0.5
303.21198	0.6
305.18982	0.6
305.22861	0.7
307.20587	0.9
307.24042	0.4
309.21985	0.5
311.20023	0.7
311.23434	0.6
313.21771	0.5
315.23376	0.7
319.20645	0.5
321.16904	0.7
321.22192	1.1
323.23581	0.9
325.21771	0.9
333.22260	0.9
335.23767	1.5
337.25281	0.9
339.18121	1.1
339.23068	1.0
341.24753	0.7
345.21689	0.5
347.23572	0.7
349.25293	1.4
351.23352	0.8
351.27118	0.6
353.24667	0.6
359.23419	0.4
363.26862	1.6
365.24557	0.8
375.26877	0.8
377.24359	0.6
377.28592	0.6
379.26355	0.9
381.27994	0.5
389.28522	0.6
391.30258	1.3
393.27991	0.9
395.20572	1.6
395.29471	0.7
403.30093	0.8
407.29440	1.0
417.31958	0.7
419.29047	0.6
421.30829	0.9
445.30560	1.7
447.32816	0.7
463.30746	2.1
493.32825	0.6
497.37558	1.5
515.31519	0.6
515.38953	8.3
519.35046	0.7
523.34503	0.5
529.31287	0.4
533.39850	5.7
537.35730	1.1
538.36469	1.1
551.41223	3.7
553.40277	0.6
571.33154	0.5
571.41321	1.0
589.34222	1.1
589.42773	7.5
607.34808	10.5
607.43549	100.0
608.34589	0.6
608.43683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38078	0.5
53.03951	2.1
55.01874	3.1
55.05514	12.7
57.03440	3.0
57.07072	1.4
59.04984	0.5
65.03932	1.3
67.05508	21.8
69.03422	1.3
69.07072	12.6
71.04978	1.2
73.06583	0.4
77.03939	0.7
79.05497	18.0
81.03429	2.1
81.07059	25.8
83.04990	2.6
83.08625	5.5
85.06541	1.1
91.05485	24.2
93.07047	18.7
93.07640	0.9
95.01322	1.0
95.04977	3.0
95.08612	17.1
97.06524	3.3
97.10159	2.3
99.08083	0.8
103.05449	0.6
105.07037	21.6
107.04977	3.0
107.08597	11.2
109.06515	1.7
109.10160	5.3
111.08067	1.0
115.05444	0.7
117.07022	9.7
119.08584	14.9
121.06479	1.0
121.10141	7.2
123.04479	0.4
123.08079	1.4
123.11697	2.0
125.09621	1.1
128.06233	2.1
129.05490	0.5
129.06995	7.4
130.07823	0.9
131.08572	13.7
133.06479	0.6
133.10141	12.2
135.08049	1.7
135.11687	4.3
137.09622	1.0
139.11234	0.5
141.06987	4.3
142.07820	2.1
143.08569	8.9
145.10138	11.5
147.08067	0.7
147.11693	7.1
149.09636	1.7
149.13261	2.2
151.11241	0.7
153.06995	1.4
154.07751	0.9
155.08556	8.5
156.09453	0.5
157.10136	8.5
159.08139	0.6
159.11699	9.3
161.09657	1.1
161.13278	3.1
163.11214	2.3
163.14816	0.6
165.06981	2.3
165.12828	0.5
166.07803	1.2
167.08577	5.5
168.09370	1.5
169.10135	8.1
170.10873	0.5
171.11697	6.4
173.09633	0.7
173.13254	4.5
175.11179	0.5
175.14832	1.4
177.12761	1.4
177.16489	0.5
178.03667	0.4
178.07768	0.5
179.08554	3.2
179.14360	2.4
180.09380	1.2
181.10118	8.4
182.10886	0.5
183.11702	8.3
183.13235	0.7
185.13274	4.7
187.11246	0.6
187.14819	1.7
189.12737	0.9
191.08594	0.7
192.09457	0.5
193.10129	4.5
194.10934	1.1
195.11726	8.6
195.13583	0.6
196.12488	1.1
197.13293	7.1
199.14825	2.7
201.16429	0.9
203.14262	0.5
204.09175	0.5
205.10156	1.4
206.10907	0.7
207.11699	4.7
208.12534	0.9
209.13280	6.8
210.14012	0.5
211.10992	0.4
211.14809	4.6
213.14661	0.5
213.16476	2.2
217.09996	0.5
219.11714	1.8
219.17471	1.0
220.12495	0.9
221.13257	4.8
222.14154	0.5
223.14835	5.0
225.16360	2.2
227.14308	0.5
227.18100	0.7
229.10103	0.5
229.19495	0.6
231.11708	0.5
231.96394	0.5
232.12573	0.4
233.13307	1.7
233.15448	0.7
235.14847	3.6
235.16873	0.7
237.16315	2.6
239.17989	2.6
241.19505	1.5
245.13293	0.7
247.14886	1.2
249.16370	2.3
251.18025	2.1
253.19623	0.7
255.17465	0.5
257.19083	1.7
259.14835	0.7
259.20609	1.7
261.16446	0.9
263.17984	1.8
265.16006	0.8
265.19647	1.3
267.21054	0.4
273.18533	2.0
275.17725	0.7
275.20151	9.0
277.19516	1.2
279.21078	0.5
289.19214	0.9
291.21103	0.9
297.22137	0.5
301.19247	0.5
307.20584	1.0
309.22290	0.7
315.23309	2.9
319.20547	0.8
321.22165	0.7
323.20157	0.6
323.23660	0.5
325.21719	0.6
333.21936	0.6
335.23770	0.6
337.25552	0.7
339.23227	0.6
347.23816	0.8
349.24353	1.6
351.23145	0.6
353.24887	1.1
361.25235	0.9
363.26947	0.8
365.24655	0.8
367.26514	0.5
375.26999	0.9
377.28412	1.0
379.26288	0.6
389.28345	1.1
395.20798	0.6
405.31732	0.6
407.29132	0.7
433.31052	0.6
445.30896	1.0
459.32321	0.7
463.31274	0.5
495.33951	0.5
497.37964	1.4
515.38910	6.9
533.39862	4.2
537.35632	1.0
538.36414	1.1
551.40881	1.8
571.41321	0.9
589.34082	0.9
589.42535	5.9
607.43591	100.0
608.43903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14545	0.3
51.34723	0.3
53.03944	1.3
55.01863	1.9
55.05514	10.1
56.08161	0.3
57.03440	2.8
57.07076	1.2
57.51232	0.3
58.63182	0.4
65.03936	1.1
67.05506	18.3
69.03426	0.8
69.07071	9.5
71.04986	1.0
77.03919	0.5
79.05499	13.0
79.05962	0.7
81.03408	1.5
81.07058	19.0
83.04984	1.6
83.08630	4.6
85.06537	1.3
91.05482	14.6
93.07047	12.9
95.04965	1.4
95.08608	13.7
97.06532	2.0
97.10146	2.3
98.20757	1.3
99.08101	0.7
103.05457	0.9
105.07030	12.4
107.04972	1.3
107.08589	9.2
109.06526	1.0
109.10167	5.7
111.08087	1.1
115.05494	0.8
117.07021	7.7
119.06062	0.4
119.08584	10.7
121.06537	0.7
121.10145	5.6
123.08075	1.1
123.11742	1.4
125.09629	1.0
128.06223	1.9
129.06998	6.5
130.07811	0.7
131.08575	10.8
133.10130	8.0
135.08095	0.7
135.11700	3.1
137.09615	0.9
138.24286	0.3
141.06985	4.6
142.07806	2.0
143.08557	9.2
144.09352	0.7
145.06525	0.6
145.10124	9.6
147.08066	0.9
147.11676	4.5
149.09650	0.8
149.13264	1.5
151.11220	0.5
153.06970	1.8
154.07820	1.2
155.08548	8.0
156.09386	0.9
157.08832	0.5
157.10132	8.1
159.11693	7.4
161.09709	0.6
161.13251	2.2
163.11186	1.7
163.14847	0.7
165.07010	2.3
166.07808	1.1
167.08554	6.8
168.09370	1.5
169.10120	10.0
170.10880	0.4
171.08107	0.4
171.11693	7.6
173.13266	3.7
175.14870	1.0
177.16522	0.3
178.07828	0.7
179.08536	4.3
180.09354	1.4
181.10136	8.5
182.10905	1.1
183.11707	8.9
185.13269	4.6
187.11334	0.4
187.14885	1.5
189.16443	0.7
191.08656	1.2
192.09357	0.9
193.10135	4.8
194.10892	1.2
195.09959	0.5
195.11708	9.8
196.12541	1.0
197.13254	7.4
199.11314	0.4
199.13307	0.5
199.14807	2.6
201.16415	0.9
205.10165	1.5
206.10997	1.0
207.11722	6.0
207.13545	0.6
208.12502	1.3
209.13278	7.9
210.13954	0.5
211.14824	4.4
213.12920	0.7
213.16505	2.0
217.10106	0.9
219.11722	2.3
219.13560	0.5
219.17418	0.6
220.12520	0.6
221.13283	5.0
222.14055	0.5
223.14838	5.6
225.16388	3.0
227.18149	0.5
229.59357	0.4
231.11787	0.7
232.12541	0.5
233.13208	2.0
234.14142	0.5
235.14847	3.9
236.15636	0.6
237.16356	4.5
239.17993	2.1
241.19681	0.8
245.13409	0.6
247.14894	1.1
248.15599	0.6
249.16379	2.4
251.14255	0.4
251.18069	2.1
253.19563	1.2
255.17354	0.5
257.19086	0.9
259.20630	0.9
261.16458	1.1
263.17883	1.9
265.19608	1.2
267.21222	0.5
273.18582	1.2
275.17709	0.5
275.20279	1.9
277.19485	1.0
279.17758	0.7
279.21085	1.2
281.22742	0.4
283.20432	0.6
289.19540	0.4
295.20471	0.6
303.21094	0.4
305.19049	0.6
305.22696	0.4
307.20425	0.8
309.18771	0.5
309.22284	0.6
311.20325	0.5
313.21671	0.7
315.23315	0.9
319.20682	0.7
319.24179	0.6
321.22144	1.0
321.25946	0.5
323.23846	0.6
325.25162	0.4
335.23804	1.4
337.21655	0.4
337.25333	0.6
339.23022	0.6
347.23926	1.0
349.25204	1.6
351.23138	0.8
351.26956	0.6
353.24908	0.4
359.23407	0.5
361.25247	0.6
363.26938	1.4
375.26956	0.6
377.28546	1.0
377.72675	0.4
379.26395	0.7
381.27829	0.6
391.30078	0.8
393.27756	0.6
395.20590	0.4
395.29654	0.5
403.30115	0.5
405.27817	0.4
407.29272	0.5
419.28836	0.8
427.29633	0.4
429.31708	0.4
433.30890	0.5
435.32684	0.5
445.30862	1.1
447.32755	0.7
459.32809	0.9
495.34976	0.7
497.38339	1.0
515.38892	8.1
519.34882	0.5
523.33752	0.4
525.35895	0.5
533.40057	5.4
537.35645	1.5
538.36481	0.7
551.41473	2.8
553.39771	0.5
565.39203	0.4
571.41602	1.2
589.33386	0.3
589.42529	6.4
607.43616	100.0
608.44037	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80264	1.1
53.00292	3.5
53.03949	6.9
55.01871	15.1
55.05514	34.6
57.03444	8.2
57.07071	1.5
59.04987	2.2
65.03943	4.2
67.05508	53.7
69.03429	8.7
69.07069	16.4
70.06590	2.1
71.01330	1.4
71.04990	5.3
71.52473	1.5
76.07307	1.2
79.05493	50.7
81.03421	28.7
81.07058	100.0
83.04982	21.6
83.05463	1.4
83.08625	21.3
84.08138	1.5
85.02911	6.8
85.06541	4.3
91.05483	44.7
93.07047	49.6
95.04975	20.1
95.08604	21.6
97.02889	6.6
97.06532	10.4
97.10170	13.5
99.00813	13.2
99.04450	5.5
99.08083	1.9
103.05488	3.8
105.07032	36.0
107.04948	12.4
107.08598	27.9
109.02890	11.9
109.06528	9.3
109.10160	12.0
111.04451	18.8
111.08081	13.4
115.03945	2.3
115.05456	2.4
117.07010	14.6
119.04988	2.2
119.07802	2.2
119.08588	26.8
121.06511	14.0
121.10137	15.4
123.04421	1.7
123.08068	23.0
123.11713	4.8
125.06010	2.5
125.09642	14.6
127.03922	5.1
128.06236	2.6
129.07010	5.3
131.08583	15.5
133.06485	3.7
133.10133	33.2
133.11108	2.2
135.08089	5.1
135.11697	10.9
137.06001	2.4
137.09619	5.1
139.07547	2.8
142.07771	1.2
143.08556	9.1
145.06418	2.4
145.10129	14.1
147.08038	8.0
147.11691	6.9
149.09645	5.1
149.13234	7.0
151.11209	10.4
153.09125	3.0
153.12781	7.8
155.08606	2.0
157.10146	4.8
159.08052	2.0
159.11726	7.3
161.09616	18.3
163.11201	16.2
165.09096	2.9
165.12744	2.1
169.10208	1.3
171.08090	2.6
171.10245	1.8
171.11665	2.5
173.09621	4.6
175.11203	2.8
177.12717	3.3
179.10712	7.9
181.12219	8.9
183.11816	1.2
185.13269	2.4
187.11143	2.3
189.09140	6.4
189.11247	15.3
189.12746	2.3
191.10683	8.4
193.12347	2.5
195.12006	1.1
195.13811	4.6
197.11734	1.8
199.11163	1.4
205.12279	2.3
207.10216	3.4
209.11816	3.5
223.13345	8.1
225.11192	9.5
227.12782	18.2
227.18024	1.6
243.12386	3.2
245.19197	1.8
245.32704	1.1
249.14888	2.3
255.17537	2.5
267.15933	2.1
269.17487	3.5
273.18494	25.8
273.21246	2.0
279.15933	1.4
281.13727	2.8
283.15485	4.8
291.19559	66.9
299.14896	44.9
309.20703	3.9
339.17944	2.8
347.22104	4.5
347.74139	1.3
365.23257	20.5
395.20813	3.8
445.29346	1.4
463.30774	2.5
469.24219	2.3
497.29480	1.3
561.34149	2.8
571.32526	3.5
589.33722	27.5
607.34778	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25173	0.1
52.42584	0.1
56.05030	0.2
57.03445	0.3
57.04558	0.4
60.04514	0.2
65.03939	0.2
67.05516	0.2
69.03438	0.2
69.07072	0.2
69.95680	0.2
69.96092	0.4
70.06603	2.0
72.03367	0.1
72.08143	0.3
73.02926	0.1
74.06075	0.2
84.04506	0.4
84.08155	1.1
85.02904	0.5
86.09712	0.8
87.05602	0.3
91.05489	0.2
93.03442	0.2
94.04060	1.8
95.04981	0.1
96.05642	0.2
97.02901	0.1
97.06491	0.1
102.05576	0.2
108.04376	0.2
110.03632	0.1
112.05087	0.2
115.03931	0.1
119.03556	0.3
119.04893	0.2
120.08098	0.8
123.06683	1.5
125.06008	0.3
129.10254	0.6
130.06570	0.2
132.08130	0.2
133.05122	0.4
136.07585	0.8
137.04523	0.2
137.05820	0.1
148.06226	0.3
150.07767	100.0
151.35471	0.1
153.05478	0.2
159.09232	0.4
169.13376	0.2
171.06482	0.4
176.05693	0.4
181.04973	7.3
184.77164	0.1
219.01573	0.1
231.09946	0.3
249.10899	0.8
277.10489	1.4
282.11993	6.0
295.11401	0.8
301.18832	0.3
400.68619	0.1
405.68564	0.1
475.15781	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	605.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.3
53.58701	2.9
55.01874	19.0
55.05513	37.4
57.03431	7.3
57.07078	55.6
65.03946	6.4
67.05508	83.2
69.07076	35.6
71.02430	6.7
71.02782	3.7
71.04977	4.9
71.08646	37.0
79.05492	52.0
80.02780	3.5
81.03401	3.7
81.06593	5.2
81.07060	88.9
83.04967	4.3
83.08625	27.0
85.10178	18.7
91.05482	42.9
93.07052	40.3
95.04983	8.4
95.08615	65.3
97.06531	23.2
97.10182	16.4
105.07051	50.0
107.04990	19.5
107.08599	38.2
109.06540	15.6
109.10161	35.7
112.24711	3.2
112.95423	2.7
115.94321	3.0
117.07038	12.5
119.08586	31.7
121.06582	4.3
121.10143	16.6
123.08047	8.9
123.11694	13.3
125.09647	13.4
128.18874	3.0
129.06999	3.7
131.08589	18.7
133.10129	34.7
134.51453	3.1
135.08032	12.7
135.11700	9.2
137.09682	4.0
141.29004	3.0
143.08521	5.3
145.10136	26.4
147.11694	27.1
149.09628	33.2
157.10124	6.2
159.11693	10.8
161.13255	7.4
163.11165	8.5
165.12715	5.4
169.10182	4.9
171.11691	4.4
173.13269	8.6
177.12697	4.9
185.13336	3.4
185.45796	3.7
189.11226	8.8
190.48956	3.2
197.13229	5.8
227.12805	17.7
229.19490	4.2
239.18022	6.6
239.23663	9.2
247.20464	5.8
257.19003	14.0
275.20099	100.0
293.21280	15.6
313.27359	84.1
313.30151	1.9
334.59833	3.1
349.23743	47.9
507.40460	4.1
587.38251	4.6
587.46887	61.4
605.48706	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	606.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93530	9.6
64.01191	0.9
69.03452	1.0
69.85793	4.8
71.93005	3.8
72.93793	6.2
73.93905	0.9
74.23637	0.9
77.38866	0.9
79.00475	0.9
79.05504	1.2
81.03439	1.5
85.02900	1.3
89.03938	7.6
89.94044	1.8
90.94838	4.6
107.04942	3.3
107.95072	1.6
115.51270	1.0
117.03387	10.2
120.95820	1.2
122.55441	1.0
128.96399	1.5
131.95058	5.8
132.95851	1.7
133.96568	1.2
135.04424	17.9
144.95850	10.8
145.02847	16.4
145.96571	1.2
149.96103	2.3
151.97643	1.3
157.96646	1.6
161.96104	3.1
162.96895	3.0
163.03920	100.0
169.96570	1.2
171.94528	1.1
173.96140	4.4
174.96968	2.1
185.96094	9.2
186.96922	3.5
189.95590	1.2
193.96680	1.6
197.96159	4.1
198.96924	1.1
201.95595	1.5
203.97252	1.4
204.97894	1.1
205.88426	1.1
205.96588	5.3
206.97417	4.1
211.97588	1.2
213.95557	1.1
215.97185	2.5
216.95872	1.8
217.95082	4.2
217.96722	3.6
223.97696	4.1
224.98442	2.7
233.96089	1.1
233.98233	2.3
234.96916	22.5
234.99162	2.5
235.94003	1.2
235.97733	10.0
243.96523	1.3
247.94064	3.5
248.94861	5.6
249.95480	1.3
251.97168	10.6
252.97964	26.2
253.00438	1.9
259.97763	1.9
267.96619	1.8
275.97174	26.7
276.97946	5.7
277.98776	1.8
287.97168	20.4
288.97635	1.2
289.00360	2.2
289.97226	3.6
300.97888	1.2
303.96140	1.0
305.98508	5.2
307.01193	2.3
307.98477	1.7
311.99466	1.8
317.96439	4.6
323.97760	8.2
328.99783	1.0
335.98007	1.3
351.97110	7.9
353.98828	2.6
355.96594	2.0
356.79962	0.9
361.97086	1.2
378.00217	1.3
379.98196	2.6
390.97510	1.7
396.01450	1.2
407.97733	9.4
408.98550	5.4
414.02368	1.4
425.98865	7.8
426.99677	11.3
443.99701	2.1
453.99173	1.0
461.99512	1.2
467.99908	3.4
480.00113	1.2
486.00821	4.2
514.00592	1.8
548.00647	1.2
559.49707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46709	4.6
55.05515	31.5
67.05515	44.5
69.07047	20.1
69.28165	19.7
69.28607	26.1
74.09701	4.7
79.05490	38.1
81.03391	8.9
81.07056	37.2
83.04982	8.4
83.08608	23.4
91.05484	38.8
93.07050	42.1
95.04976	24.2
95.08594	20.9
97.10184	5.7
98.20769	7.2
100.42385	4.7
105.07040	42.2
107.04972	6.1
107.08591	22.1
109.06558	7.7
109.10152	14.1
111.08109	7.0
117.07022	15.7
119.08586	34.3
121.06490	8.3
121.10130	18.8
131.08557	17.9
133.10146	28.1
135.11685	7.0
143.08560	7.1
145.10127	27.7
147.11670	12.8
149.09573	19.2
159.11682	16.4
162.20055	5.7
163.11235	25.7
171.11639	6.0
171.45988	5.5
223.13303	18.6
239.17976	7.7
257.18976	10.1
275.17340	8.0
275.20111	100.0
277.21582	14.0
293.21155	20.6
337.20847	6.0
441.33813	7.3
604.46313	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	605.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.9
55.01879	5.0
55.05516	22.6
57.03445	18.1
57.03673	2.6
61.02931	23.9
67.05513	34.0
69.03428	33.1
69.07066	16.2
70.06593	26.9
71.04987	8.8
71.52238	3.7
71.52617	3.4
72.08141	10.2
73.02913	10.6
73.12304	3.0
79.05081	3.6
79.05502	49.5
81.03426	32.7
81.07060	35.8
83.04983	10.6
83.08622	8.1
84.04484	5.5
84.08144	15.2
84.34521	3.5
85.02914	48.1
85.06516	2.7
86.09691	10.9
87.04480	14.0
91.03955	11.7
91.05488	43.9
93.07061	45.4
95.04980	15.7
95.08612	26.2
97.02904	39.5
97.06518	4.1
97.10161	9.2
99.04454	11.3
101.02385	7.1
101.46620	2.8
103.03950	3.9
103.05442	3.9
105.07050	34.6
107.04990	15.3
107.08642	15.9
107.09240	2.9
109.02871	11.6
109.06499	9.1
109.10146	6.4
110.07162	3.5
111.04504	3.6
117.07053	16.1
119.04943	2.9
119.08595	19.9
120.08099	7.2
121.06487	6.6
121.10129	8.0
123.04455	4.3
123.08082	6.0
123.11690	4.7
125.09541	3.8
127.03917	21.4
128.06189	5.8
129.07011	19.8
129.10236	5.0
131.04893	3.3
131.08572	9.9
133.06506	5.5
133.10123	13.3
135.08018	3.2
135.11673	4.2
136.07619	3.3
137.09596	4.5
139.11137	4.9
141.06955	3.2
143.08563	13.6
145.05002	6.7
145.06454	5.0
145.10132	16.9
147.08028	7.6
147.11719	23.0
149.13248	4.7
157.10103	5.0
159.08063	7.7
159.11745	5.0
161.09622	3.1
161.13271	7.3
163.07481	3.8
163.11221	4.3
167.08508	5.4
169.10072	4.2
171.08022	3.9
171.11687	24.5
173.04419	8.3
173.13226	6.3
181.10216	3.8
183.06485	2.9
185.09564	4.3
185.13408	3.8
187.07561	2.9
189.12749	14.6
198.28748	2.7
207.13811	31.9
241.15709	3.7
247.16667	3.1
255.15819	4.0
259.17026	4.0
269.15533	6.0
281.17496	100.0
287.16458	12.4
295.18939	4.2
303.22961	4.4
309.16843	5.9
310.42444	3.0
321.24146	6.0
323.18460	9.1
333.20306	3.9
339.25400	4.2
343.18857	7.3
361.20123	19.1
379.21356	4.1
389.19461	6.1
407.20355	6.5
425.21729	17.7
443.22855	8.7
605.27759	22.4
615.14740	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	602.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05514	3.1
56.05037	1.5
57.03445	1.0
60.04520	1.7
62.06083	0.9
66.89520	0.8
67.05524	4.0
68.46600	0.8
69.03439	4.1
69.07064	6.7
70.00258	0.7
70.06597	7.9
71.06929	0.8
71.15962	0.8
71.52504	1.1
72.08149	4.3
73.02905	1.4
79.05494	2.7
81.03414	2.4
81.07061	7.1
82.06544	1.4
83.08627	1.3
84.04508	2.6
84.08147	6.9
85.02914	7.8
86.06078	14.6
86.09706	7.3
88.04040	1.0
91.05479	4.8
93.07049	2.2
94.06591	1.6
95.04992	1.4
95.08627	2.7
96.08128	7.7
97.02885	2.4
97.06520	1.5
98.06054	5.9
98.09711	2.3
99.04473	3.2
105.07035	3.2
107.08619	2.0
108.08128	3.6
109.02881	1.5
109.06534	2.8
109.10161	2.0
110.07191	2.0
110.09680	1.8
112.07630	1.5
114.09200	0.9
116.10732	5.4
119.04948	0.7
119.08610	2.5
120.08112	2.8
120.19720	0.9
122.09688	1.5
123.08064	1.3
123.11713	1.2
124.07596	2.7
125.74031	0.9
126.09212	1.2
127.03931	2.6
129.10258	3.0
133.10175	2.2
134.09674	1.0
136.07579	2.4
136.11255	1.1
138.09160	2.3
140.10730	1.0
142.08647	13.7
147.11668	4.2
148.11113	1.0
149.09773	0.8
150.12762	1.0
151.11224	2.7
152.10762	2.5
152.14377	1.2
154.12282	2.5
157.10159	1.2
162.12799	0.9
164.14388	1.9
165.12839	1.0
166.08636	0.9
168.13889	0.9
169.12247	3.2
174.12811	1.0
175.11221	2.2
192.13933	1.2
194.15352	5.4
208.17017	3.7
210.18536	23.0
212.16467	100.0
236.16457	21.0
254.17526	12.9
255.15929	1.2
272.18582	91.1
360.29208	1.0
375.83929	0.8
378.30170	1.0
379.24985	2.1
380.23956	1.0
422.29199	3.2
434.23898	10.4
440.30124	44.5
473.95477	0.8
489.90555	0.9
541.30298	1.6
584.34235	2.6
602.35406	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24303	0.5
53.72075	0.4
55.05494	0.6
56.05016	0.6
56.79211	0.4
60.50177	0.4
65.54596	0.5
67.05502	0.8
69.20526	3.8
70.06568	1.8
72.08142	0.9
79.05482	0.5
81.07037	1.3
81.85699	0.4
83.01107	12.1
84.01883	3.0
84.04483	0.6
84.08134	0.7
85.02908	0.6
86.09676	1.3
91.05465	1.0
93.07007	0.7
95.01091	7.7
95.04991	0.5
95.08585	0.6
96.01349	0.5
96.01875	5.9
97.02632	3.7
101.88068	0.5
102.66426	0.4
105.06995	0.6
107.08556	0.7
107.09246	0.4
109.10147	0.5
111.00393	0.4
111.04248	0.6
113.02098	1.0
119.04914	1.2
120.08104	0.5
121.10194	0.5
123.04337	0.5
127.03704	1.1
128.04417	0.9
129.10216	0.6
133.10065	1.3
137.09529	0.7
139.03667	2.9
143.44572	0.5
143.77896	0.4
145.10132	0.6
147.04431	2.5
148.04701	0.8
149.09601	0.5
153.01585	0.4
155.03162	2.5
156.02719	0.6
156.03925	7.5
157.04735	4.5
163.03963	0.7
166.02330	0.9
167.03131	1.1
171.02640	0.9
179.08673	0.5
183.02592	1.2
184.03435	11.0
184.07294	0.5
185.02562	0.7
185.04218	15.3
201.03708	19.8
203.05281	12.6
204.10057	0.8
205.10374	0.5
223.13081	3.0
241.06827	3.1
257.06314	1.7
258.07056	3.8
259.07886	14.1
269.13535	1.5
275.07230	1.4
290.05838	0.5
301.08966	0.6
309.12601	0.7
317.08374	0.6
318.09113	1.1
331.10007	19.5
345.11453	3.3
350.08142	1.6
359.13220	3.3
373.14661	3.1
385.18219	0.8
387.16248	1.3
401.17786	1.4
417.17194	0.6
431.18552	1.8
439.26874	0.7
443.18744	6.7
454.23352	0.4
455.23587	0.7
457.20154	1.1
472.25058	1.5
485.19720	1.8
515.20941	2.9
517.47107	0.4
583.27167	3.1
584.27264	0.6
601.28082	100.0
602.28516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19530	0.3
55.05507	0.6
56.05031	0.4
57.07076	4.8
58.06604	1.7
60.04521	0.5
65.03925	0.6
67.05477	1.2
68.04990	0.4
69.07040	0.7
70.06596	16.5
70.87197	0.6
71.08637	2.9
72.08141	0.6
74.09694	0.3
79.05492	0.4
81.03422	0.6
81.07045	1.2
83.08564	0.4
84.08123	1.0
85.02881	0.6
86.06061	0.4
86.09685	1.3
88.07635	19.7
91.05475	1.0
93.07047	0.7
95.04924	0.4
95.08568	0.6
98.09710	0.3
102.09184	14.1
104.10696	0.6
104.41131	0.3
105.07034	0.4
119.08599	0.8
126.18079	0.4
131.04945	0.5
131.08551	0.4
132.10101	0.4
133.10159	0.5
139.03912	0.3
146.11751	0.4
147.04401	0.7
147.11676	0.3
149.02350	32.1
156.17499	0.9
162.12695	0.4
175.03862	0.9
177.05505	0.9
184.07326	1.7
191.07056	0.4
193.04973	41.2
200.20102	46.8
212.16446	1.4
219.06563	0.8
225.05469	0.9
237.07581	12.1
244.22827	1.6
254.17450	0.7
269.04468	1.4
272.18588	1.2
275.20248	0.8
282.40082	0.3
297.03778	1.6
313.06995	1.9
341.06528	9.1
343.08261	0.4
349.23730	0.6
356.04108	0.3
359.07611	5.2
385.09180	18.5
387.21082	0.7
429.11847	24.3
440.30136	0.6
584.28424	1.1
596.38519	0.3
599.48389	0.4
602.29578	100.0
603.30011	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40136	1.3
53.03935	2.5
55.01874	4.7
55.05318	1.5
55.05518	13.9
57.03436	5.5
57.07062	1.7
60.08151	4.2
61.02930	4.1
65.03951	1.6
67.05506	28.6
69.03403	2.6
69.07072	14.8
69.57973	9.4
70.06596	3.7
71.04991	3.3
72.08152	1.6
76.99731	4.5
79.05504	26.1
81.03416	6.0
81.07058	42.2
83.04988	4.2
83.08626	13.1
84.04485	1.5
84.08147	1.8
85.02895	5.1
85.06554	3.1
86.09709	14.3
91.05488	42.2
93.07051	27.8
95.04961	5.6
95.08614	17.1
97.02877	3.2
97.06534	4.8
97.10180	3.4
98.91908	1.6
99.08101	2.8
104.10730	3.1
104.99191	2.1
105.07034	43.5
107.04961	5.2
107.08595	21.8
109.06506	8.8
109.10165	11.7
111.08070	5.1
113.01659	1.6
115.05440	1.8
117.07018	19.7
119.08587	35.5
121.06499	2.3
121.10148	15.4
123.08068	4.0
123.11712	4.9
125.00034	10.4
125.09637	4.2
129.07028	9.0
131.08572	26.9
133.06465	1.6
133.10129	33.7
135.08064	2.8
135.11665	5.7
137.09674	3.3
141.06964	2.3
143.08531	5.8
143.60016	1.6
145.10136	27.1
147.04436	3.0
147.08023	2.8
147.11681	21.6
149.09596	7.2
149.13242	2.4
151.11215	2.9
155.06114	1.6
155.08563	3.9
157.10147	8.6
159.11691	21.3
161.09639	1.5
161.13255	6.2
163.11191	7.5
165.27544	1.6
169.10153	6.3
171.11700	11.0
173.11765	2.3
173.13249	18.8
175.11208	5.1
175.14789	2.4
177.12679	2.1
183.11688	6.1
183.60342	1.8
184.07341	49.2
187.11263	1.8
187.14847	2.3
189.12827	1.8
191.14337	1.6
197.13268	6.2
201.12764	1.8
211.14822	2.5
213.16454	1.8
215.10837	1.8
215.17828	1.6
229.19583	5.3
239.17990	12.9
247.10776	1.9
247.20547	2.7
249.10832	1.7
257.19028	26.4
273.18445	6.0
275.20081	80.4
305.13263	6.7
311.17758	12.9
316.42191	1.9
325.21194	1.5
329.17526	1.6
331.22568	2.0
349.23730	100.0
350.24066	1.6
367.24872	12.4
385.21408	97.3
403.20615	18.8
522.45300	1.7
528.00195	1.6
600.26636	2.2
619.09045	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01871	4.2
55.05518	11.4
55.53169	2.0
57.03433	7.5
59.04995	2.0
59.42377	2.0
61.02923	5.5
67.05506	37.9
69.03420	4.2
69.07068	16.2
70.06586	5.8
71.05009	2.7
71.52410	2.1
72.08140	4.4
75.00046	5.2
76.99731	8.4
79.05499	25.9
81.03393	6.5
81.07064	53.7
83.04974	5.7
83.08624	9.9
84.08141	5.2
85.02881	4.6
86.09710	7.7
91.03998	3.1
91.05487	42.1
93.07053	30.2
95.04981	8.0
95.08607	19.4
97.02923	4.3
97.06525	4.5
97.10170	5.1
102.16001	1.8
104.10732	3.0
105.07032	40.8
107.04912	4.1
107.08592	20.6
109.06507	7.3
109.10179	10.0
111.08071	3.8
117.07013	16.0
118.76942	1.8
119.04940	3.6
119.07729	2.3
119.08578	40.1
120.08088	3.7
121.06542	3.2
121.10177	11.1
123.08122	2.1
123.11703	2.8
125.09668	4.1
129.07042	9.4
131.08560	29.5
133.10126	35.9
135.08054	5.2
135.11708	5.9
137.09604	4.5
139.42799	1.9
143.08568	6.3
145.10144	22.5
147.04398	6.0
147.08102	2.7
147.11696	20.6
149.09627	5.4
149.13258	4.3
151.07533	2.2
151.11159	3.5
155.08525	3.4
157.10071	6.3
158.64890	1.8
159.07999	2.3
159.11678	19.2
161.13231	4.8
163.03891	1.9
163.11171	4.8
165.12717	3.1
169.10153	5.6
171.11693	7.2
173.13283	13.4
175.11128	4.5
175.14845	2.2
183.11697	5.3
184.07320	3.9
197.13281	3.2
198.02583	2.0
201.12730	2.6
204.10196	3.5
223.13438	2.3
231.09650	2.5
239.18108	10.4
247.20389	2.6
249.10695	3.1
257.19040	19.1
273.18436	7.5
275.16998	2.2
275.20065	58.7
311.17624	5.6
331.22748	5.2
349.23730	69.3
366.24216	2.3
367.24731	4.4
385.21436	100.0
403.20602	42.5
436.22037	4.1
453.23895	3.2
454.23236	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	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.8
54.47164	0.2
55.01854	1.0
55.05514	2.9
56.05011	0.4
56.26247	0.2
57.03411	0.4
57.07046	0.3
58.20169	0.2
58.99566	1.0
65.03942	0.6
67.05506	7.1
68.05021	0.3
69.03404	0.3
69.07071	2.7
70.02935	0.3
70.77100	0.5
71.04980	0.6
72.08155	0.2
73.01125	0.3
74.00667	2.1
74.43732	0.2
75.24285	0.2
76.02234	1.4
76.03978	0.3
79.05085	0.4
79.05497	5.8
80.05028	1.4
81.03387	0.4
81.07059	18.1
82.06543	0.3
83.04965	0.5
83.06110	1.2
83.08618	1.6
84.04061	0.3
84.04510	4.4
84.08101	0.3
85.01097	1.1
85.06512	0.7
86.00638	0.5
86.09680	0.3
86.99014	0.3
88.02196	0.3
91.05482	5.3
93.06477	0.4
93.07043	5.9
94.06531	1.0
95.04977	1.7
95.08610	9.6
96.08154	0.5
97.01127	1.5
97.06502	1.0
97.10160	0.5
98.00625	0.3
99.01418	3.9
99.02657	0.6
99.05562	0.7
100.01586	0.4
100.02205	5.5
102.05550	0.3
103.05486	0.3
105.07036	5.4
106.06546	0.8
107.04972	1.5
107.06046	0.5
107.07377	0.3
107.08594	5.2
108.08088	0.9
109.06519	3.4
109.10165	2.4
110.09621	0.3
111.02636	0.9
111.08037	0.8
112.01446	0.4
112.02192	6.6
113.00567	0.5
113.02948	0.8
113.04201	0.7
114.03020	0.4
114.03757	6.6
115.05777	0.4
116.01677	1.5
117.07019	1.7
118.06519	0.5
119.08575	3.7
120.08081	0.9
121.06482	0.9
121.10153	3.0
122.09637	0.7
122.14735	0.2
123.02646	0.8
123.08047	1.0
123.11687	1.1
125.04210	1.0
125.09636	0.4
126.03735	2.5
127.07561	0.4
129.06573	1.9
130.05042	1.5
131.08586	2.8
132.08136	0.3
133.06453	0.3
133.10138	3.1
134.09604	0.7
135.02657	0.3
135.08020	1.0
135.10551	0.3
135.11659	1.0
136.03873	0.5
137.04178	0.9
137.09613	0.5
137.13226	0.3
138.03748	2.4
139.02130	0.3
139.03214	0.5
139.05791	0.7
140.01654	0.4
140.05284	6.9
142.03171	0.3
142.06816	0.5
143.08563	0.7
144.01117	0.5
145.06116	0.8
145.10153	2.4
147.07965	0.4
147.11682	3.7
149.04185	0.4
149.09660	1.3
149.13261	1.8
151.05717	0.5
151.11137	0.4
152.05261	2.2
153.03629	0.2
153.06573	0.8
154.06841	1.4
155.08295	0.3
157.10065	0.6
159.11684	1.4
161.09608	0.4
161.13226	0.8
162.02193	1.2
163.11194	1.4
163.14796	0.5
165.07420	0.4
165.12741	0.6
166.06863	1.2
167.05162	0.3
167.07571	0.3
168.08429	16.3
169.10162	0.2
170.02733	0.3
171.11697	0.7
173.09656	0.4
173.13269	2.1
175.11115	0.5
176.03688	0.4
176.14355	0.2
177.12779	0.4
179.04893	1.0
180.08389	0.3
181.06056	0.6
183.11726	0.4
185.03827	1.7
187.05417	0.5
189.03232	0.3
189.12823	0.3
191.08925	0.3
191.14244	0.9
193.06085	0.3
193.12276	0.4
199.07185	0.6
201.12810	0.4
202.04070	1.7
203.05031	0.3
204.10225	0.3
205.12282	0.3
207.13780	0.7
208.16811	0.4
209.09219	0.5
209.15411	1.9
210.14885	0.4
215.04807	0.6
216.05652	2.6
218.15262	0.4
221.10092	0.3
222.14920	0.6
229.06361	0.3
229.19537	0.5
230.15425	0.3
231.04349	3.2
233.05919	1.4
236.14485	1.1
236.16557	0.6
239.17911	0.3
241.06459	1.0
247.20671	0.6
248.16440	0.4
255.07983	3.4
256.08789	0.3
256.13675	0.4
257.07648	0.3
257.19043	0.7
264.14175	6.3
264.16824	0.5
265.14969	1.0
269.09500	1.8
270.10342	5.9
271.10892	1.1
275.20059	6.3
281.14490	2.0
282.15234	29.4
288.06439	0.3
292.13638	0.3
292.22827	0.6
293.21078	1.5
307.17133	0.5
308.09128	1.3
309.13992	0.4
323.16095	1.1
323.19681	0.3
324.19824	0.4
325.12115	0.3
325.15784	0.3
326.12115	0.3
332.20389	0.6
333.18787	2.6
339.17328	0.8
349.23755	0.5
350.17175	0.5
350.21475	9.4
351.19824	1.9
360.19946	0.4
368.22562	11.8
378.20883	0.9
384.17163	10.4
385.17758	1.6
396.27188	0.2
407.23737	0.4
435.23215	0.5
453.24200	100.0
454.24222	1.5
479.25980	0.8
498.96146	0.3
507.25214	0.5
525.26428	4.3
582.29059	1.4
583.26544	0.4
600.29474	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	600.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.5
63.02362	0.3
65.03927	1.2
70.06584	0.5
70.64870	0.6
70.65218	0.3
72.07758	0.5
72.08155	9.8
84.08155	2.0
89.03906	0.8
89.07445	0.3
91.05479	7.6
107.04925	0.4
112.11237	3.9
117.03374	1.4
119.04945	21.1
120.18095	0.3
129.13907	2.0
129.97885	0.3
135.04398	2.8
145.02852	4.1
146.16531	1.0
147.04408	100.0
155.11795	2.1
163.03902	28.8
172.14481	1.0
191.89360	0.3
203.11772	3.4
204.10197	60.7
218.11838	0.5
219.11319	0.3
220.09662	1.3
221.12813	2.0
233.12894	2.1
234.11250	4.6
274.19180	0.9
275.17529	10.3
290.18530	0.6
291.16998	1.8
292.20187	5.8
308.19662	8.0
318.18225	0.5
334.17719	0.4
338.33145	0.3
347.02097	0.2
367.16409	0.3
402.39401	0.3
436.22330	35.0
437.20953	1.6
438.23917	13.4
454.23380	72.3
455.23514	0.6
600.27002	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	599.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22150	1.1
53.03955	1.8
55.01877	2.0
55.05521	8.5
56.95713	0.9
57.03447	1.2
57.07089	7.1
59.05004	2.0
65.03943	2.2
67.05180	1.4
67.05512	12.4
69.03436	9.6
69.07082	6.4
69.16579	5.3
69.17013	5.3
77.03919	1.1
79.05507	11.7
81.03481	1.1
81.07059	22.2
83.04989	3.2
83.08615	2.3
85.06552	4.3
87.97114	1.0
91.05487	24.7
93.07047	28.6
95.04974	8.3
95.08617	20.8
97.06533	4.3
97.10186	1.1
98.20812	2.3
103.05466	2.5
105.04538	1.4
105.07043	34.4
107.04983	3.1
107.08597	23.3
109.06534	9.5
109.10162	12.0
111.04458	1.7
115.05479	2.1
116.06271	1.3
117.07011	8.7
119.04922	1.2
119.08590	39.3
121.06544	7.7
121.10151	22.0
123.08080	12.2
123.11727	3.9
124.19808	1.0
125.06017	2.9
125.09616	1.2
128.06233	4.5
129.07024	9.7
130.07832	3.3
131.08588	19.9
132.89140	1.1
133.06497	3.3
133.10150	34.3
135.08063	13.1
135.11720	12.7
137.09650	13.2
139.07558	1.6
140.47820	1.1
141.07045	4.4
142.07773	9.0
143.08559	13.9
143.96027	1.1
144.09369	3.3
145.06493	2.5
145.10147	26.6
147.06264	1.2
147.08054	25.0
147.11717	8.2
147.44525	1.1
149.09639	5.0
149.13281	1.9
151.07562	9.4
155.08604	5.6
156.09325	6.7
157.10153	23.7
158.10919	3.9
159.08087	6.5
159.11716	14.4
161.09645	7.8
161.13277	6.6
163.11215	7.9
165.07054	2.4
165.09128	48.6
167.08583	3.8
167.11018	1.1
168.09375	3.5
169.10133	8.5
170.10915	3.7
171.08160	2.1
171.11703	13.8
173.09628	5.8
173.13293	11.4
175.11240	2.9
175.14839	6.4
177.09178	2.1
177.12712	1.4
179.08594	3.4
180.09369	2.6
181.10126	4.9
181.12262	6.9
182.10947	3.7
183.11723	13.4
185.09660	11.9
185.13268	10.1
187.11198	4.3
187.14819	10.7
189.12706	5.2
191.10706	4.8
191.14336	4.5
192.09447	1.8
193.10191	3.5
193.12350	1.1
194.10915	2.2
195.08203	1.3
195.11725	7.1
195.13612	1.8
196.08786	1.3
196.12471	1.5
197.09705	2.3
197.13187	7.4
198.14122	1.1
199.11240	5.4
199.14896	3.6
201.12701	2.4
201.16426	1.3
203.14317	20.3
204.45096	1.1
207.11742	5.3
207.13867	5.4
208.12500	1.5
209.09740	1.5
209.13240	8.0
209.15054	1.3
211.11310	2.1
211.14873	7.8
213.12834	4.2
213.16444	2.2
215.14279	1.6
219.11812	2.8
220.12540	1.9
221.15384	100.0
222.13904	1.7
223.11235	1.4
223.14941	2.8
225.12869	3.4
225.16454	4.4
227.14421	2.0
227.17958	1.6
229.15897	1.3
231.11812	1.9
231.13901	1.9
233.13341	3.0
233.15468	4.0
235.14851	3.0
237.12842	2.6
237.16478	1.9
239.14261	2.1
239.18027	1.7
241.15887	1.6
245.13293	2.1
246.13892	1.1
247.14656	1.2
247.16953	15.6
249.16418	2.4
251.14404	2.0
251.18050	1.8
257.19055	1.3
259.14862	1.6
261.12976	1.1
261.16388	2.4
263.14438	1.9
263.18033	1.4
265.15967	1.6
269.18997	1.8
273.18613	3.2
275.14206	1.2
279.17465	1.8
281.18744	2.3
287.20230	7.4
291.19766	2.2
293.19199	2.2
299.20206	5.8
313.21762	2.5
315.20996	1.2
325.21912	1.6
357.22119	1.6
363.19211	1.2
363.23386	3.4
365.24744	4.2
373.25159	1.8
375.23047	1.5
381.24402	2.8
391.26331	8.4
405.26382	1.0
413.27383	1.7
419.29495	2.8
427.28564	5.4
500.36130	1.2
507.34784	11.3
519.34760	1.9
545.37573	1.4
563.38635	5.6
581.39630	9.1
599.40955	77.8
600.41449	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.35756	0.6
55.05512	4.2
57.07081	6.8
59.05017	3.1
65.03893	0.9
67.05507	7.5
69.03434	7.1
69.07037	3.1
70.69132	1.0
70.69469	1.2
77.03918	0.8
79.05498	7.3
81.03371	0.7
81.07053	11.2
83.04952	3.0
83.08573	1.3
85.06544	4.2
90.47253	0.6
91.05006	1.0
91.05481	13.6
93.06502	1.1
93.07047	18.9
95.04968	5.0
95.08612	14.0
97.06505	2.1
100.01781	0.7
103.05412	1.0
105.07035	24.4
107.04905	1.1
107.08597	14.0
109.06532	6.1
109.10146	5.0
111.08082	1.1
115.05415	1.5
117.07027	4.9
119.04953	0.7
119.08584	25.9
121.06519	5.9
121.09326	1.1
121.10148	14.2
123.08070	11.9
123.11743	1.0
125.05983	3.4
128.06195	1.9
129.07002	5.3
130.07722	1.9
131.08569	9.9
133.06476	2.2
133.10132	11.4
135.08051	12.1
135.11682	5.1
137.05891	1.2
137.09621	13.8
139.07520	1.9
141.06960	1.6
142.07791	5.7
143.08551	10.6
144.09329	1.7
144.32660	0.7
145.06436	1.7
145.10129	16.6
146.67790	0.7
147.08049	23.8
147.11740	3.2
149.09613	4.1
149.13260	0.9
151.07538	10.5
154.07800	1.0
155.08560	5.4
156.09349	4.5
157.10133	16.5
158.10942	1.5
159.08020	2.9
159.11705	10.6
160.12558	0.9
161.09598	6.0
161.13266	5.3
163.11168	7.1
165.09116	47.8
167.08549	2.0
168.09349	1.9
169.10162	8.3
170.10968	3.6
171.08089	1.0
171.11693	8.3
172.08849	0.8
173.09625	4.0
173.13240	4.1
174.10445	0.8
175.11165	2.5
175.14813	2.6
177.09109	1.2
177.12659	1.3
179.08633	0.7
180.09396	1.4
181.10104	3.0
181.12262	7.8
182.10928	1.6
182.12424	0.7
183.11711	11.6
185.09634	1.2
185.13226	8.3
187.11172	2.7
187.14798	1.8
189.12727	4.8
191.10643	3.6
191.14308	1.2
192.09308	1.0
193.10124	2.4
193.11932	0.8
194.10901	1.2
195.08133	0.8
195.11674	5.3
195.13564	1.2
196.12462	2.0
197.13226	4.5
199.11194	4.3
199.14857	1.6
201.12718	2.3
203.14326	17.8
205.10059	0.8
207.11655	3.3
207.13795	5.2
209.09601	1.0
209.13342	5.0
209.15215	1.4
211.11168	2.3
211.14806	5.1
213.12787	2.7
215.14313	1.3
219.11775	1.2
219.13751	1.2
221.15359	100.0
223.11197	1.3
223.14830	1.9
225.12701	1.9
225.16379	1.2
227.14369	1.4
227.17836	1.1
229.12279	1.5
229.15926	2.1
231.11674	1.1
231.13834	1.3
233.13182	2.4
233.15410	2.4
235.14754	2.6
237.16376	1.2
239.14275	1.7
245.13351	1.0
247.14618	1.1
247.16959	15.9
249.16341	0.9
251.14169	0.7
253.15764	0.7
259.17163	0.9
261.12964	0.7
261.16180	0.8
261.18658	1.2
263.17978	1.1
265.15771	0.9
274.19351	1.0
281.19022	2.2
285.18491	1.6
286.19403	1.2
287.20157	5.7
289.19693	1.1
293.19092	1.2
299.20102	6.1
301.21695	2.0
311.19943	2.0
313.21689	2.1
327.23254	3.6
365.24548	3.4
391.26346	8.7
396.25183	0.7
413.27045	0.9
419.29474	3.4
427.28546	5.4
453.29807	1.3
507.34726	10.6
519.34796	2.4
581.39941	2.6
599.40948	79.6
600.41205	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01866	0.9
55.05513	5.1
57.07086	5.7
59.05006	1.9
61.08019	0.7
65.03939	2.2
67.05244	0.7
67.05518	8.8
69.03435	7.0
69.07072	4.6
70.16213	2.8
71.04987	1.2
71.86998	0.7
77.03933	0.9
79.05492	8.8
81.07069	14.4
83.04984	7.4
83.08631	4.6
83.68235	0.8
85.02926	0.9
85.06543	5.3
87.04469	0.8
91.05490	17.9
93.07052	17.4
95.04984	9.1
95.08612	11.5
97.06544	4.4
103.05482	1.9
105.04565	0.9
105.07040	28.0
107.04939	1.1
107.08604	19.8
109.06530	8.0
109.10167	9.0
111.04478	1.0
111.08096	1.5
113.09666	1.1
115.05457	1.5
116.06161	1.5
117.07036	6.7
119.08591	23.6
121.06516	7.5
121.10153	23.7
123.08073	10.1
123.11717	2.3
125.05968	1.9
125.09637	3.6
128.06238	4.4
129.07013	7.2
130.07764	2.9
131.08580	13.9
133.06505	2.7
133.10144	14.9
135.08057	8.4
135.11722	5.6
137.05927	0.7
137.09625	7.4
139.07561	1.8
139.11153	1.4
141.07018	2.9
142.07785	8.3
143.08577	18.6
144.09334	5.0
145.06496	1.9
145.10126	19.2
147.08070	11.1
147.11742	5.2
149.09642	9.7
149.13239	1.2
151.07558	10.0
151.11130	1.3
153.07076	1.1
153.09131	1.9
154.07811	1.6
155.06067	0.8
155.08574	6.7
155.10666	1.0
156.09364	7.2
157.10141	20.5
158.10918	2.6
159.08096	5.6
159.11716	12.2
160.08789	1.4
161.09608	6.9
161.13293	3.2
163.11186	6.4
165.06993	3.2
165.09143	14.8
166.07716	1.3
167.08572	3.1
167.10686	11.2
168.09341	3.6
169.10136	10.8
170.10939	3.3
171.08083	1.4
171.11703	12.9
172.12534	1.3
173.09641	4.6
173.13254	5.8
175.11203	5.6
175.14841	2.3
177.09074	1.4
177.12732	2.0
179.08598	3.4
180.09367	2.8
181.10110	6.3
181.12234	3.5
182.10938	5.5
183.08105	1.0
183.11732	11.3
184.12515	1.6
185.09622	2.6
185.13289	6.0
187.11165	4.2
187.14819	2.1
189.12798	5.5
191.14325	3.6
192.09381	2.0
192.11218	0.9
193.10231	5.6
193.12018	1.2
194.10890	3.6
195.07982	0.9
195.11734	8.2
195.13599	1.2
196.08859	1.0
196.12503	2.2
197.09689	1.9
197.11713	1.2
197.13295	9.6
199.11177	3.7
199.14841	3.5
201.12820	2.5
203.14310	7.3
205.10233	2.5
206.10912	3.8
207.11757	6.3
207.13858	9.5
208.12509	2.5
209.13284	8.5
209.15402	4.4
210.14009	1.5
211.11319	1.3
211.14879	3.8
213.12805	2.7
213.16451	2.3
215.14322	3.2
217.10207	1.8
217.12215	0.9
217.15915	1.0
218.10976	1.6
219.11697	2.4
220.12485	2.3
221.13278	4.5
221.15358	33.6
222.14037	1.4
223.11308	1.2
223.14783	6.0
225.12784	2.1
225.16463	2.5
227.14372	2.1
229.12416	1.2
231.11806	1.7
232.12489	1.1
233.13297	2.6
233.15373	21.1
234.14020	1.5
235.14961	4.4
235.16862	1.2
236.15625	1.0
237.12769	1.7
237.14662	1.6
239.14319	1.6
239.18030	1.3
241.15855	1.5
245.13344	2.0
247.14851	2.5
247.17087	2.4
248.15755	0.9
249.16519	1.5
250.17159	0.9
251.14326	1.8
251.18018	1.7
251.31975	0.8
253.15871	1.7
255.17442	1.0
258.14120	1.3
259.14728	1.6
259.17169	1.8
261.16269	2.0
263.18005	2.6
265.15878	1.1
265.19598	1.5
265.85822	0.8
267.17395	1.2
269.19052	2.9
271.17175	1.5
273.16122	0.9
273.18762	1.2
277.15717	0.8
277.19708	1.0
281.19000	7.2
283.20700	1.1
285.18570	1.5
286.19305	1.1
287.20224	2.4
289.19507	1.2
291.17517	0.9
291.21017	1.4
295.20319	0.9
299.20096	3.2
301.21643	1.0
309.22293	1.1
311.20151	1.9
312.20850	2.6
313.21692	1.2
331.20569	1.3
349.21603	1.1
351.23169	1.1
364.24030	2.4
365.24756	2.2
373.25299	3.6
377.24820	2.2
391.26300	3.7
415.28436	1.6
419.29160	1.0
441.30035	3.3
489.33777	3.1
493.33273	2.8
507.34750	60.0
581.40070	4.7
599.41003	100.0
600.41425	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	598.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.0
57.07079	35.7
59.04991	1.2
67.05493	1.1
68.00574	0.5
69.07073	5.2
69.88309	0.5
70.97289	1.3
71.08635	31.7
73.02931	0.7
73.06559	7.8
79.05481	1.0
81.07066	2.0
83.08615	4.5
85.06548	0.8
85.10185	19.6
87.04469	5.6
89.06035	100.0
89.11842	0.5
91.05489	2.1
91.07613	1.3
93.07027	2.8
95.04945	1.1
95.06208	0.5
95.08608	2.1
97.10170	6.4
99.11733	3.3
105.07042	2.4
106.07373	1.0
107.07095	2.5
107.08617	2.0
109.10158	2.3
111.08134	0.6
111.11714	3.9
113.13292	2.2
117.07018	1.2
117.09142	7.3
119.08572	4.1
121.10169	2.4
122.10514	0.7
123.08102	0.6
123.11745	0.9
125.13295	1.5
127.14840	1.7
130.08670	4.2
131.07043	1.8
131.08586	1.4
133.08612	57.2
133.10211	2.0
135.08110	1.2
135.10158	1.3
135.11705	1.1
139.14873	1.1
141.16386	1.2
142.07843	0.7
143.08592	0.9
145.10107	1.7
146.10431	1.4
147.11766	1.1
155.17970	0.9
157.10109	1.0
158.10489	0.6
159.11710	0.9
161.11749	1.8
169.10172	0.9
171.09186	0.6
171.11768	0.7
173.13194	0.6
175.09721	0.7
177.11235	27.3
183.11716	0.8
189.12802	0.7
193.10220	0.7
195.12074	0.7
199.11272	0.7
206.11127	0.6
211.14793	0.6
211.24257	2.6
221.13742	5.7
223.14902	0.7
239.14967	2.1
255.26889	2.6
265.16489	1.3
283.17453	3.2
299.29468	9.9
327.20276	1.6
343.32108	6.2
353.21744	0.9
371.22812	10.5
397.52686	0.8
405.36115	0.7
420.18723	0.6
449.38376	0.7
493.41080	1.1
506.37335	1.5
537.43628	1.1
581.46240	17.5
598.42120	1.9
598.49707	2.0
598.61615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.05512	12.9
57.07069	5.1
59.04990	5.2
65.03938	2.5
67.05505	14.0
69.07070	16.6
70.98527	1.9
70.98871	1.8
71.04996	1.9
73.06556	4.0
79.05495	28.4
81.06590	2.7
81.07056	46.2
83.04967	1.3
83.08617	4.6
85.06544	26.4
89.98567	1.4
91.05482	46.0
91.82812	1.2
93.07046	57.5
95.04953	4.5
95.08605	28.2
95.10434	1.1
97.06583	1.4
99.08056	1.6
103.05466	4.8
105.04497	2.2
105.07033	100.0
107.08596	36.1
109.06522	3.7
109.10158	17.4
111.08080	21.5
115.05434	5.9
116.06274	1.8
117.07025	22.8
119.08585	84.7
120.08919	1.7
121.06520	2.7
121.10143	38.6
123.08039	7.5
123.11722	6.7
125.09647	1.7
128.06216	9.2
129.07036	14.5
130.07797	9.4
131.08574	40.7
132.09392	2.7
133.10130	45.5
134.10716	1.1
135.08093	6.5
135.11691	18.1
137.09616	14.4
139.11145	2.4
141.07005	7.6
142.07800	15.3
143.08565	34.1
144.09351	6.8
145.06522	1.8
145.10127	72.9
146.10672	1.2
147.08046	3.0
147.11684	24.3
149.09634	7.6
149.13281	3.3
151.11180	7.5
152.11932	4.7
153.07004	1.6
153.12743	1.3
154.07739	2.4
155.06133	1.7
155.08568	12.6
156.09329	11.0
157.10133	37.8
158.10854	4.9
159.11702	26.9
160.08844	3.5
161.09613	3.5
161.13263	19.1
163.11162	4.5
165.07002	5.5
165.12743	4.3
166.07715	1.7
167.08551	7.6
168.09322	5.3
168.67456	1.3
169.10126	28.0
170.10883	5.3
171.11696	20.9
172.12450	2.1
173.09680	2.4
173.13266	16.8
175.11180	17.2
175.14828	7.9
177.12737	6.8
178.07777	2.0
179.08600	6.3
179.14333	5.3
180.09334	4.8
181.10156	17.4
182.10938	5.7
183.11691	23.5
184.12453	3.5
185.13257	12.2
187.11232	3.3
187.13396	1.4
187.14789	7.7
189.12715	2.4
189.16330	1.5
191.14349	2.4
192.06454	1.3
192.09320	3.4
193.10153	9.4
194.10963	7.0
195.11710	21.2
196.12427	4.9
197.13260	15.3
198.14000	2.1
199.11217	2.1
199.14796	6.2
201.12852	1.7
201.16399	7.5
203.14366	4.0
205.10185	2.5
205.15913	1.9
206.10925	3.5
207.11671	9.4
208.12482	6.9
209.13266	20.0
210.14006	2.4
211.14839	12.1
213.12712	1.8
213.16418	3.4
215.14397	1.8
217.15990	2.3
219.11775	3.6
220.12447	2.8
221.13306	9.1
221.15300	2.2
222.13945	2.6
223.14813	22.0
223.16966	1.2
224.15498	3.0
225.16360	24.2
227.18027	2.6
231.17444	2.9
232.12474	2.5
233.13275	5.0
234.13986	2.3
235.14828	7.2
236.15472	1.7
237.16402	7.8
239.17896	5.1
241.15977	1.8
244.12456	1.4
245.13246	1.6
246.14095	1.6
247.14821	3.9
248.15535	1.8
249.16402	4.6
251.17973	5.3
253.15849	1.3
253.19492	3.0
255.17429	3.4
257.18896	1.3
259.14804	1.3
259.86835	1.3
261.16446	6.0
263.18033	3.5
265.19467	1.9
267.21094	2.4
269.19003	3.5
271.20560	1.8
273.16382	1.6
275.17841	2.4
277.19485	2.3
278.20355	2.1
279.21219	2.8
283.20364	1.3
289.19513	3.4
291.21063	4.9
293.19238	1.4
293.22531	1.7
303.21030	2.0
305.22638	2.3
307.20355	1.7
309.22067	4.4
311.20065	1.3
311.23639	4.5
317.22687	1.5
321.21805	1.3
323.23611	2.0
324.24396	2.4
329.22403	1.7
331.86832	1.2
335.23752	2.9
341.24741	4.0
345.25735	5.2
357.25189	1.3
377.28384	3.3
383.27686	1.8
401.28723	6.0
403.29990	19.6
433.31064	8.3
445.31479	1.6
446.31595	3.5
457.33893	1.3
463.35635	1.9
523.39404	6.5
555.42163	12.7
598.43665	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	598.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
53.13848	6.3
55.05523	23.2
57.07065	15.9
58.97582	4.7
64.06426	5.1
67.05521	32.4
69.07056	21.3
69.16346	49.9
73.06543	10.5
79.05505	35.8
81.07070	67.9
83.08613	6.7
85.06548	16.1
91.05493	60.2
93.07053	66.8
95.04940	12.0
95.08612	39.7
97.06538	5.7
99.08057	6.4
103.05480	5.3
105.07039	90.4
106.07370	4.3
107.08604	48.4
109.06538	8.4
109.10162	34.8
111.08086	12.1
115.05435	10.7
117.07060	23.6
119.08598	100.0
120.08870	6.2
121.10154	62.0
122.10464	7.6
123.08084	6.1
123.11684	13.5
124.40708	4.7
128.06227	5.2
129.06998	19.7
130.07794	7.2
131.08592	39.8
133.10126	57.3
134.40106	5.4
135.08046	13.3
135.11702	26.4
137.09636	40.8
140.37906	4.6
141.06970	9.9
142.07793	14.8
143.08601	40.6
144.09349	5.9
145.10149	72.7
146.10461	6.3
147.08070	5.4
147.11728	25.2
149.09622	13.3
149.13315	6.0
151.11201	10.4
152.11951	9.5
155.08519	18.7
156.09337	17.2
157.10158	52.3
159.11731	42.8
160.11909	6.0
161.09700	7.3
161.13257	13.4
165.12762	22.3
167.08556	10.6
169.10167	36.1
170.10880	6.7
171.11700	33.8
172.12326	6.2
173.09654	5.8
173.13284	30.8
174.13660	6.2
175.11223	15.1
175.14839	22.4
179.08606	12.1
180.09340	11.0
181.10121	19.1
182.10774	10.7
183.11710	27.2
185.13269	21.3
187.14780	13.0
192.14983	5.3
193.10181	17.2
194.10832	11.3
195.11707	34.2
196.12300	8.8
197.13239	28.7
199.14832	10.9
201.12773	6.3
201.16510	8.3
203.14290	11.2
205.15814	6.5
206.10910	6.4
207.11693	17.9
208.12404	6.3
209.13254	15.8
211.14752	16.2
213.16357	6.0
221.13284	16.5
221.15353	8.6
223.14807	12.5
225.16399	19.1
226.13377	5.4
227.17972	6.8
231.11699	6.1
233.13145	5.8
235.14836	7.3
237.16391	10.3
239.14343	7.8
239.17885	8.9
241.19490	6.6
247.14780	9.4
249.16429	7.8
253.15848	5.5
258.13773	5.7
261.16354	7.2
263.17807	6.5
292.44357	5.7
293.18954	6.8
311.23679	8.6
347.23590	5.3
377.41928	5.9
403.29822	21.0
523.39587	6.6
548.39417	7.0
555.41809	17.7
566.40881	18.0
597.59949	8.0
598.43329	40.7
598.61816	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	598.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.6
53.03930	2.0
55.01870	3.4
55.05277	0.6
55.05516	10.1
57.03445	4.0
60.08148	0.6
61.02918	1.6
63.29181	0.4
64.08659	0.5
65.03923	0.9
67.05510	15.8
69.03416	1.6
69.07075	10.4
70.06584	0.5
71.04974	2.0
73.02914	0.6
79.05501	19.0
81.03407	3.5
81.07063	34.1
83.04998	2.7
83.08611	5.3
85.02911	3.9
85.06547	0.9
86.09690	2.7
91.03931	1.1
91.05487	15.5
93.07044	16.4
95.04972	10.7
95.08060	0.8
95.08608	8.9
97.02898	1.8
97.06533	2.3
97.10182	5.5
99.08116	0.6
103.05461	0.6
104.10761	3.4
105.03384	0.8
105.07038	13.0
107.04969	6.6
107.08600	9.6
109.06522	4.5
109.10164	6.0
111.04440	2.1
111.08109	3.0
115.03072	0.5
115.05457	1.2
116.77322	0.4
117.01048	1.5
117.06238	0.8
117.07021	9.8
118.13687	0.5
119.04891	0.9
119.08595	18.5
121.06525	6.7
121.10148	6.6
123.08068	10.6
123.11640	0.6
125.00039	1.0
125.09622	5.0
128.06210	1.4
129.01067	0.7
129.07028	4.7
130.07870	0.7
131.08582	10.4
132.05777	0.8
133.00560	0.7
133.06508	3.4
133.10144	5.9
134.22939	0.4
135.04437	0.6
135.08070	4.8
135.11699	3.1
137.09602	2.8
141.06972	1.0
143.08580	5.1
145.00516	0.8
145.06497	1.2
145.09053	1.0
145.10139	13.0
147.08058	9.2
147.11693	3.3
149.09631	7.2
149.13248	0.7
151.11197	0.8
153.09100	1.2
155.08557	0.6
157.10156	5.6
159.08037	2.0
159.11703	4.0
161.09621	7.5
161.13249	1.1
163.11183	6.3
165.09146	1.2
169.10130	1.7
171.08018	0.6
171.10229	1.1
171.11688	3.6
173.09631	1.9
173.13261	1.7
175.11180	2.7
175.14828	0.9
177.12759	0.7
181.10109	1.1
183.11638	0.5
184.07361	4.6
185.09622	0.6
185.13251	2.2
187.11166	1.3
189.09279	0.5
189.11189	2.1
189.12756	1.1
193.12314	1.1
195.11671	1.3
197.07263	1.7
199.11176	1.7
199.14822	0.6
203.14282	1.0
205.12282	0.5
209.13351	0.5
213.12695	0.9
213.16333	0.9
219.13797	0.7
223.13261	2.4
227.12701	0.6
227.17990	1.8
231.13800	1.2
237.16460	1.5
245.19023	1.9
249.14873	2.2
255.17433	3.5
273.18500	23.2
274.79880	0.6
281.16669	0.8
291.19568	54.8
309.16205	6.2
311.18628	1.1
327.17258	2.5
347.22168	5.4
365.23270	21.3
383.19846	21.4
401.20917	100.0
440.19229	0.6
516.30841	0.6
563.26227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63075	0.7
53.03933	2.2
55.01868	4.2
55.05274	0.7
55.05516	10.1
57.03446	4.5
59.05008	0.8
61.02918	2.2
65.03930	1.9
67.05183	1.2
67.05507	16.2
69.03421	1.9
69.06741	0.9
69.07072	10.5
71.04982	1.5
72.08118	0.7
73.02904	1.0
79.05495	21.1
81.03417	3.0
81.07059	35.1
83.04980	3.4
83.08622	7.2
84.08189	0.7
85.02898	3.3
85.06541	1.4
86.09705	2.5
89.07920	0.7
91.03957	1.0
91.05486	17.1
93.07045	18.5
95.01287	0.6
95.04975	10.1
95.08607	9.8
97.02910	1.0
97.06534	1.8
97.10165	6.2
103.05540	0.8
104.10741	1.7
105.07039	14.4
107.04969	7.0
107.08599	11.2
109.06522	4.6
109.10152	5.3
111.04453	2.4
111.08076	2.2
112.17748	0.6
115.05476	1.2
116.06225	0.8
117.01070	1.5
117.07017	9.8
119.08583	19.3
121.06524	7.8
121.10164	8.4
123.08074	12.0
125.00095	0.7
125.09642	4.9
125.10416	0.8
128.06226	1.4
129.01056	0.8
129.06990	7.0
130.07811	0.6
131.04924	0.9
131.08577	11.8
133.00510	1.6
133.06487	3.0
133.10135	6.4
135.08083	5.6
135.11705	3.8
137.09630	3.8
141.07007	1.4
142.07803	1.0
143.08578	5.2
145.00487	1.2
145.06419	1.2
145.10135	12.0
147.08057	12.3
147.11696	2.8
149.09644	7.2
151.11169	0.8
153.09113	1.4
153.12721	0.8
155.08609	1.2
157.06415	1.0
157.10136	5.8
159.08049	1.7
159.11681	4.6
161.09633	7.1
161.13278	0.7
163.11189	5.9
165.09160	0.9
169.10103	1.6
171.08023	0.9
171.11655	3.7
173.07303	1.2
173.09654	1.5
173.13231	1.2
175.11192	2.2
177.12726	1.3
181.12111	0.8
183.11702	1.1
184.07314	2.8
185.09792	0.8
185.13306	2.2
187.11241	1.0
189.09276	0.8
189.11240	1.9
189.12750	1.8
191.10626	0.8
195.11723	1.4
197.07272	2.5
199.11180	1.8
211.14870	0.9
213.12793	1.1
213.16409	0.8
219.13727	1.3
223.13289	2.6
227.17978	2.2
237.16478	1.4
245.19133	2.0
249.14928	2.9
252.84735	0.8
255.17531	3.2
271.75433	0.7
273.13962	0.9
273.18491	26.1
291.19556	53.5
309.16177	4.9
311.18494	1.2
327.17184	2.6
335.14819	0.7
347.22122	4.7
365.18604	1.0
365.23245	21.7
383.19873	22.8
401.20914	100.0
477.38458	0.8
526.34454	0.7
539.77930	0.8
563.26215	1.5
563.96533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05508	10.6
57.07078	12.1
57.55405	1.0
59.05004	4.7
65.03955	2.7
67.05509	12.1
68.28150	1.0
69.03434	4.6
69.07077	10.1
69.21754	1.7
69.22160	8.3
71.08632	3.7
72.32100	1.1
73.06539	6.2
78.32373	1.0
79.05505	17.7
81.03450	1.0
81.07063	27.8
83.04992	3.2
83.08644	3.6
85.06542	11.5
85.10187	1.8
89.06033	8.2
91.05487	30.4
93.07052	32.4
95.04977	5.8
95.08614	16.1
97.06540	3.2
103.05490	3.5
105.04527	1.3
105.07041	59.9
107.08603	23.0
108.76215	1.2
109.06508	7.6
109.10165	14.5
111.08096	9.8
115.05476	3.4
116.06239	1.6
117.07010	12.2
119.08589	57.1
121.06525	4.2
121.10155	32.3
121.11025	1.9
121.84557	0.9
123.08082	11.3
123.11743	5.3
125.06022	2.2
125.09655	2.2
128.06229	6.1
129.07004	12.4
130.07822	5.8
131.08575	24.2
133.06526	3.6
133.07704	1.1
133.08600	5.1
133.10127	26.4
133.11073	1.5
135.08061	9.5
135.11711	9.9
137.09624	14.1
137.13242	1.1
139.07585	2.1
139.11230	1.9
141.06992	5.2
142.07770	10.5
142.08603	1.0
143.08568	24.4
144.09378	5.1
145.06462	1.4
145.10130	47.9
147.08047	12.8
147.11702	14.1
149.09633	6.6
149.13281	2.3
151.07550	10.4
151.11198	5.6
153.07021	1.8
153.09084	1.6
153.12816	1.8
154.07802	2.5
155.08568	11.0
156.09338	7.8
157.10141	27.6
158.10963	3.8
159.08119	4.5
159.11713	17.4
160.08875	2.3
160.12387	1.2
161.09589	5.7
161.13297	4.0
163.11224	5.9
165.07065	4.2
165.09116	20.9
165.12813	2.9
167.08636	6.4
168.09367	3.1
169.10141	19.6
170.10919	5.8
171.08128	1.9
171.11697	17.4
172.08847	1.2
172.12534	2.0
173.09671	5.7
173.13286	12.6
175.11192	7.7
175.14926	4.8
177.09175	2.9
177.11336	1.5
177.12820	4.4
179.08589	6.9
179.10617	1.0
180.09418	3.0
181.10109	10.1
181.12312	3.5
182.10966	4.0
182.32074	1.2
183.11717	12.9
184.12456	1.5
185.09634	1.9
185.13283	6.9
187.11255	3.5
187.14923	4.8
189.09270	1.1
189.12685	6.3
189.16449	1.1
191.10718	1.3
191.14354	2.6
192.09418	1.2
192.11455	1.6
193.10202	6.6
193.12061	1.5
194.10909	5.4
195.11739	11.8
195.13564	1.9
196.12500	5.9
197.09706	1.5
197.13254	9.9
198.10374	1.6
199.11276	3.2
199.14822	2.5
201.12849	4.0
201.16496	1.9
203.14363	10.1
205.10239	2.5
205.12338	1.5
205.15961	3.2
206.10953	3.5
207.11775	7.9
207.13895	6.9
208.12579	3.4
209.13309	11.7
209.15204	1.8
210.14146	2.0
211.11278	3.7
211.14845	8.5
213.12776	2.8
215.14243	1.9
217.12257	1.3
219.11867	2.4
220.12610	2.9
221.13351	7.2
221.15350	34.7
221.17630	1.7
222.13931	1.6
223.11249	1.8
223.14810	5.9
225.12817	2.0
225.16531	3.2
227.14520	2.0
229.12350	4.1
231.11725	2.4
232.12659	1.5
233.13374	3.4
233.15472	2.3
235.14853	6.8
237.12837	2.4
237.16461	6.0
241.15971	2.4
245.13376	2.2
247.14853	2.8
247.17085	2.3
249.16490	2.1
251.14398	2.1
251.18141	1.9
253.15947	1.6
255.13847	1.4
259.14914	2.0
261.16315	1.7
261.18652	3.8
263.18109	3.1
265.19547	1.9
267.21329	1.7
271.14630	1.6
273.16339	1.4
275.18185	2.2
285.18765	1.8
287.20157	8.7
297.18649	1.7
311.20261	2.1
349.21686	1.5
353.24799	21.2
357.25739	1.6
364.24179	4.6
377.24948	3.0
390.25476	1.6
413.30573	1.2
439.32385	2.6
445.31247	5.0
473.34122	2.2
491.35486	3.9
505.36804	100.0
506.36459	1.3
518.37860	1.9
565.40533	4.2
592.41394	1.4
597.43195	98.7
598.43970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46538	0.9
51.11036	0.8
53.03945	3.9
55.01863	1.9
55.05516	9.3
57.07080	10.5
59.04998	5.2
65.03952	0.8
67.05511	12.0
69.03439	5.8
69.07064	8.6
70.03008	4.4
71.04990	1.2
71.08645	5.9
73.06557	6.8
77.03912	1.4
79.05064	0.6
79.05495	19.1
81.07063	26.5
83.04993	3.0
83.08627	3.5
85.06548	19.9
85.07028	1.6
85.10197	2.5
87.04468	0.9
89.06034	10.3
91.05487	28.7
91.06022	1.8
93.07053	27.0
95.04972	6.6
95.08611	16.8
97.06538	3.3
98.20816	1.3
99.08096	1.1
100.47657	0.9
103.05475	2.6
105.04515	1.2
105.07040	44.7
107.08601	22.0
107.09307	1.5
109.06525	6.7
109.10164	13.8
111.08099	17.1
115.05434	4.1
116.06236	1.2
117.07025	12.2
119.08589	47.9
121.06509	4.6
121.10147	29.2
122.07311	1.4
123.08096	11.1
123.11730	3.3
125.06012	2.2
125.09659	2.6
128.06250	5.6
129.07007	8.9
130.07816	7.0
131.08583	20.0
133.06534	2.6
133.07697	1.3
133.08604	5.7
133.10138	24.8
135.08063	10.5
135.11722	9.9
137.05997	1.7
137.09636	7.5
139.07600	2.3
139.11179	1.0
141.07007	4.3
142.07800	11.2
143.08577	22.7
144.09402	4.2
145.06506	1.5
145.10133	45.1
146.10989	0.9
147.08057	11.7
147.11700	11.4
149.09630	8.4
149.13281	1.9
151.07541	8.7
151.11197	6.3
153.07056	2.4
153.09109	1.2
153.12733	1.0
154.07776	2.1
155.08557	9.2
156.09373	8.8
157.10143	24.6
158.10893	2.6
159.08102	6.1
159.11716	18.2
160.08838	2.5
161.09615	7.7
161.13225	4.6
162.10431	1.1
163.11227	6.5
165.07034	3.3
165.09117	18.0
165.12756	2.3
166.07782	1.4
167.08545	4.7
168.09418	3.6
169.10147	16.9
170.10960	4.9
171.08041	1.0
171.11685	13.1
172.12444	1.0
173.09657	4.9
173.13283	11.0
175.11195	12.1
175.14835	5.4
177.09198	1.8
177.11327	2.0
177.12817	4.8
178.07932	1.3
179.08609	6.6
179.10677	1.0
180.09378	3.0
181.10176	8.4
181.12093	4.3
182.10915	4.0
183.08035	1.1
183.11694	13.9
185.09694	2.7
185.13318	7.7
187.11217	4.8
187.14854	3.5
189.09172	1.4
189.12772	5.6
191.14377	1.8
192.09508	1.7
193.10187	6.6
193.12308	2.9
194.10916	5.6
195.11725	11.8
195.13585	1.5
196.12566	3.6
197.09618	1.2
197.13277	9.9
199.11197	2.8
199.14839	4.2
201.12833	3.3
201.16479	1.9
203.14314	8.2
205.10255	2.0
205.12257	1.1
205.15918	1.9
206.10953	3.9
207.11765	6.8
207.13885	7.1
208.12544	2.6
209.13283	15.0
210.14084	1.6
211.11281	3.0
211.13145	1.6
211.14915	6.6
213.12761	2.6
213.16432	1.3
215.14366	2.0
218.11014	1.1
219.11795	1.4
220.12509	2.2
221.13310	6.2
221.15343	34.1
222.13895	1.3
223.11232	1.6
223.14886	4.0
224.15709	1.1
225.12874	2.4
225.16512	2.8
227.14293	1.5
227.18024	1.2
229.12277	2.1
231.11743	2.3
231.13863	1.9
233.13290	3.3
233.15501	2.0
235.14783	6.6
237.12796	1.9
237.16518	3.4
239.14412	2.0
239.18040	1.5
241.15968	3.3
243.17461	1.0
245.13354	1.8
247.14914	2.7
247.17081	3.2
248.15630	1.1
249.12840	1.2
249.16423	2.7
251.14388	1.3
251.18028	1.2
257.13290	1.1
259.14774	2.0
261.16275	1.6
261.18631	2.2
263.14417	1.8
263.18079	2.6
265.16058	1.1
265.19656	2.8
267.17566	1.5
267.21121	1.1
269.19153	1.1
271.17203	1.1
273.16287	1.4
275.17990	1.3
277.15756	1.0
283.89151	1.0
285.18640	2.4
287.20084	5.6
289.19595	1.1
291.19870	1.4
293.19131	1.1
295.17242	1.0
299.20374	1.6
309.70505	0.9
311.20258	1.8
313.21530	1.0
325.21634	1.4
331.24231	1.2
333.22089	1.0
341.38022	1.1
349.21680	1.4
351.23257	3.6
352.24249	1.7
353.24762	9.8
357.25879	2.3
359.23917	1.0
364.23932	4.5
375.23355	1.3
377.24863	3.1
383.26065	2.2
399.58395	1.2
411.84921	0.9
413.30228	1.0
439.32147	3.9
443.29221	1.0
445.31229	2.7
473.34250	4.1
475.32690	2.3
491.35187	4.1
505.36798	100.0
565.40381	6.9
597.43152	93.4
605.19061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59040	1.5
53.03955	8.4
55.01883	3.5
55.05516	29.0
57.03439	12.4
57.07087	2.7
59.04985	2.6
65.03945	4.8
67.05507	100.0
69.03436	15.5
69.07064	16.6
71.04988	9.3
73.02944	1.9
77.03930	1.7
79.05493	58.1
81.03424	36.2
81.07059	52.8
82.15998	1.5
83.04984	29.4
83.08622	13.9
85.02911	6.3
85.06545	4.7
91.05485	56.3
93.07048	53.5
95.04967	19.5
95.08607	29.9
97.02898	10.9
97.06530	6.5
97.10182	10.6
99.04459	4.0
101.02369	1.8
105.04504	2.9
105.07039	40.6
107.04961	9.2
107.08598	22.2
107.94225	1.7
109.02879	8.3
109.06526	6.9
109.10160	55.3
111.04465	9.2
111.08089	5.9
117.07008	14.2
119.08592	31.3
119.09396	3.6
121.06503	2.9
121.10153	8.7
123.04425	2.9
123.08065	7.3
123.11684	2.3
125.09638	5.8
127.03920	12.8
129.05490	6.6
129.07016	17.0
131.08569	11.3
133.06538	2.2
133.10138	15.0
135.08070	4.4
135.11708	4.1
137.09602	6.1
139.11177	1.7
141.06943	1.8
143.08571	11.2
145.10103	14.8
147.08069	5.0
147.11699	25.2
149.09610	5.3
149.13316	4.5
151.07530	1.9
155.08554	2.5
155.10664	4.9
157.10118	4.2
159.11716	6.4
161.09624	4.9
161.13229	10.3
163.11215	4.1
167.08566	2.2
169.10104	3.6
171.11658	18.9
171.94745	1.8
173.09680	2.1
173.11732	11.7
173.13107	2.8
181.10164	2.8
181.12282	2.7
183.08179	1.9
185.13292	2.2
187.11191	2.5
189.11266	3.4
189.12784	7.6
199.11252	2.1
207.13792	24.5
211.14799	2.1
227.12833	3.3
229.14322	11.9
233.15376	2.5
263.12915	1.7
269.17487	3.0
273.18567	4.3
275.20154	2.7
281.14261	2.9
281.17480	47.9
291.19495	3.4
299.14929	6.3
355.17419	3.3
373.18597	24.4
435.27423	76.7
543.28955	2.7
579.31531	58.2
597.32556	5.9
597.40015	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	597.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.7
55.01860	4.9
55.05511	19.3
57.03446	10.7
57.07063	2.3
57.15266	2.0
57.57190	1.9
59.04999	3.2
60.49426	1.8
65.03938	4.9
67.05506	100.0
69.03434	17.0
69.07073	11.1
69.77810	8.1
71.01360	2.1
71.04974	6.0
71.68322	1.9
75.63243	1.7
79.05497	54.2
79.71227	1.9
81.02998	2.9
81.03426	38.5
81.07058	43.9
83.04984	25.9
83.08626	9.7
85.02895	8.2
85.06532	3.1
91.03922	2.2
91.05483	46.4
93.06493	3.0
93.07050	49.3
95.04988	18.2
95.08614	21.6
97.02903	12.2
97.06515	6.8
97.10189	9.9
99.04475	3.9
103.05465	1.9
105.04518	2.5
105.07037	30.5
107.04945	5.9
107.08601	17.2
109.02892	11.0
109.06503	7.8
109.10156	55.8
111.04432	5.4
111.08064	2.7
113.06013	2.2
117.07028	10.8
119.08578	23.1
121.06494	3.8
121.10155	7.0
123.08042	3.9
125.09614	7.1
125.96471	1.8
127.03925	13.6
129.05464	6.9
129.07005	12.2
130.07738	2.0
131.08585	9.6
133.06483	1.9
133.10104	8.2
135.08034	3.1
135.11690	3.1
137.09601	5.1
143.08554	10.2
145.06548	2.7
145.10130	9.5
147.08099	3.6
147.11676	22.7
149.02371	15.5
149.09587	3.3
150.02673	8.8
155.10623	4.6
157.06506	2.0
157.09995	2.6
159.08145	2.7
159.11656	2.2
161.09706	2.8
161.13271	6.2
163.11250	2.2
163.16534	1.9
167.08630	1.9
169.10051	2.6
171.11646	16.1
173.04506	2.4
173.09607	3.2
173.11726	13.6
173.13174	3.7
189.11151	3.1
189.12752	7.7
193.04938	9.3
194.05309	7.4
195.05423	3.6
207.13770	21.7
209.13155	2.0
211.13252	3.1
225.14632	2.1
227.12814	3.7
229.14328	17.6
238.07884	2.6
239.07988	2.8
269.66895	1.8
281.14273	3.2
281.17459	48.8
299.14755	8.3
337.04190	1.9
337.16425	2.2
355.17392	3.4
373.18530	21.7
400.19434	3.8
431.12271	2.6
435.27441	93.4
459.15677	2.3
487.02588	1.8
543.28992	2.7
561.30725	2.1
579.13879	3.8
579.31567	64.5
597.31750	2.1
597.39398	2.7
606.09058	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	596.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01870	6.0
55.05512	19.4
56.05032	4.6
57.03441	10.1
61.02911	7.3
67.05506	54.2
69.03449	7.1
69.07072	25.6
69.17377	34.1
70.06597	36.3
71.05005	7.4
72.08146	7.4
74.14467	3.3
78.20234	3.2
78.29958	3.1
79.05495	30.0
81.03407	11.6
81.07055	56.5
83.04960	11.1
83.08611	14.0
84.04507	3.7
84.08132	17.8
85.02908	8.7
85.06551	8.7
86.09702	29.7
87.43496	3.5
91.05479	27.5
93.07055	43.3
95.04958	5.4
95.08609	27.1
97.02897	6.2
97.06535	12.8
97.10165	5.1
99.08051	4.8
103.05473	5.1
105.07047	21.6
107.04958	3.6
107.08587	22.7
109.06547	6.2
109.10162	34.6
111.08053	3.3
117.07048	9.4
119.08566	16.9
120.08118	52.9
121.06508	5.5
121.10144	12.8
123.08030	3.8
123.11728	19.9
125.09603	3.4
126.84221	2.8
126.99419	2.9
127.03917	4.7
129.07056	4.3
129.10249	10.4
131.08557	9.8
133.10129	16.1
135.08080	6.9
135.11716	7.1
136.07594	4.6
137.09625	6.7
145.10136	9.1
147.11713	14.9
149.09618	4.6
149.13252	14.4
155.10693	4.8
159.11697	22.9
163.11174	7.4
165.12747	8.7
166.08638	27.5
173.11746	12.4
173.13156	3.5
177.12720	15.2
179.14333	4.5
184.07367	5.5
190.45645	3.6
195.13954	4.0
198.61684	3.4
229.14342	45.2
247.15454	4.8
255.15849	6.5
257.19049	5.7
268.84384	3.7
269.17480	100.0
275.20038	12.7
294.28790	6.9
309.20639	5.5
313.81366	3.1
330.20520	15.8
348.21851	3.8
349.23792	48.4
367.24841	9.1
381.26324	12.7
399.23788	20.6
413.21640	13.2
454.45331	3.9
511.28632	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	596.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
53.54202	2.7
55.01867	8.8
55.05513	17.1
57.03431	15.6
61.02924	5.9
67.05508	70.0
69.03418	10.2
69.07076	26.4
69.62697	9.1
69.63116	9.1
70.06587	10.7
71.04990	10.8
72.08157	5.3
75.56151	2.5
79.05499	35.6
81.03411	9.3
81.07057	64.6
83.04977	8.6
83.08627	16.4
84.04475	2.4
84.08137	11.6
85.02897	11.5
86.09715	18.9
91.05473	31.9
93.07050	44.3
95.04961	14.1
95.08623	29.0
97.02909	15.7
97.06528	13.2
97.10169	9.8
98.21525	3.3
99.08083	8.0
101.04302	2.6
103.03935	3.3
104.84042	2.4
105.07040	22.4
105.43954	2.5
107.04945	8.1
107.08605	27.9
109.02881	6.1
109.06524	10.2
109.10152	41.3
110.07104	3.3
111.04445	4.5
111.08070	9.9
117.07025	12.1
119.08580	21.5
120.08116	6.0
121.06516	5.6
121.10152	16.4
123.04430	3.8
123.08065	4.7
123.11734	4.0
125.09634	11.6
127.03944	7.6
129.05441	10.0
129.07051	4.8
129.10210	6.6
131.08565	17.8
133.06516	4.5
133.10118	17.5
135.08087	9.1
135.11684	11.1
137.09618	9.2
145.10146	10.5
147.08070	3.9
147.11711	10.1
149.06323	2.8
149.09599	8.5
149.13275	13.6
153.09090	4.2
155.10623	7.3
157.08603	5.1
157.10094	5.6
159.11703	16.3
161.09644	4.6
161.13316	6.7
163.11156	8.4
171.10147	4.1
173.11731	13.6
173.13141	5.6
177.12715	20.3
179.14285	8.6
184.07303	4.5
185.13280	3.6
189.11159	5.1
195.13837	4.7
221.11769	5.9
229.14340	68.1
233.15526	3.1
245.13777	3.3
251.16531	4.4
257.18985	4.2
269.17502	100.0
273.18469	8.1
275.20154	13.3
291.19574	5.2
313.16321	4.2
313.23730	4.5
339.13492	4.8
339.17603	3.8
349.23755	37.9
365.23257	33.7
367.24728	7.3
381.26199	8.5
399.23807	68.7
413.21548	8.2
431.22626	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	596.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03090	0.5
53.03939	1.4
55.01880	3.4
55.05516	7.7
55.29776	0.4
57.03431	2.0
59.04969	0.6
60.49343	0.4
61.02926	1.3
64.87904	0.4
65.03959	0.5
67.05510	8.9
69.03435	2.6
69.07075	3.7
69.58739	3.3
71.04988	1.5
79.05497	9.8
81.03416	1.7
81.07066	11.5
82.07371	0.6
83.04974	2.1
83.08623	3.5
84.08156	0.8
85.02913	2.2
89.01597	0.9
89.93858	0.6
91.03954	0.6
91.05482	9.9
93.07053	12.2
95.04968	5.8
95.08615	4.4
96.05339	0.5
97.02917	1.0
97.06548	1.4
97.10188	3.1
98.20853	1.0
99.04419	0.5
101.01623	0.5
103.14741	0.5
105.07040	5.3
107.04977	4.0
107.08605	11.6
109.02895	1.5
109.06535	2.9
109.10181	3.1
111.04463	0.6
111.08111	0.7
115.05484	1.4
116.95713	0.5
117.07024	6.6
119.08581	7.3
121.06485	2.6
121.10131	1.5
123.04388	0.6
123.08074	1.8
123.11717	0.5
125.09631	2.2
128.06233	0.6
129.01031	0.7
129.06987	1.6
130.99007	1.1
131.08569	3.6
133.06508	0.9
133.10153	3.9
135.04277	0.4
135.08061	17.4
135.11711	1.1
137.05952	0.7
137.09624	3.7
141.06970	0.6
142.07762	0.5
143.08574	2.2
143.42737	0.5
145.05486	0.6
145.06490	4.1
145.10133	3.0
147.08069	2.1
147.11693	1.2
149.09608	1.8
151.07562	0.8
153.04755	1.1
155.08562	0.8
157.00526	0.5
157.10175	1.8
159.08055	2.2
159.11734	1.2
161.09637	3.4
163.07564	7.5
163.11255	1.2
167.02574	0.5
169.10153	1.4
171.05716	4.7
171.10255	0.5
171.11697	0.6
173.09628	1.6
175.11241	0.7
181.10077	0.6
183.11726	1.2
187.11243	0.8
189.11229	1.4
193.12218	0.9
199.05261	2.4
210.08118	0.6
221.11739	1.0
225.16483	0.8
243.17468	2.3
261.18469	0.9
261.22037	0.7
271.16943	4.4
276.20532	0.6
279.15125	1.2
285.17099	0.6
289.17990	16.7
302.63379	0.5
307.14746	0.9
309.17096	0.6
325.15729	3.3
347.25613	0.4
363.21628	5.2
381.22839	2.1
399.19360	100.0
400.19705	0.6
417.20050	0.6
439.26874	0.6
455.30200	0.6
578.37897	0.6
596.35107	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	596.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01874	6.3
55.05320	0.6
55.05519	7.0
57.03201	0.7
57.03444	6.6
57.07031	0.6
59.23167	0.6
61.02924	1.8
67.05512	15.3
69.03433	3.2
69.07075	9.8
69.62599	3.2
70.06599	7.2
71.01340	0.9
71.04984	2.1
72.08158	1.2
73.02927	4.6
77.90556	0.6
79.05501	9.9
81.03442	3.6
81.07063	16.2
83.04989	4.8
83.08633	3.6
84.08141	2.5
85.02908	2.7
85.06529	1.1
86.09225	0.8
86.09712	8.9
91.05486	9.0
93.07055	11.3
95.04963	4.6
95.08610	7.0
96.05781	1.4
97.02882	3.1
97.06519	3.5
97.10175	4.1
98.07301	0.9
98.21541	0.6
99.04480	0.7
102.91307	0.6
103.05488	0.6
105.07034	4.6
107.04971	3.7
107.08595	9.1
109.02866	1.7
109.06530	5.2
109.10162	10.1
110.07291	0.7
111.04445	1.8
111.08054	1.8
116.04726	5.8
117.07044	3.3
119.04958	0.6
119.08603	7.4
120.08131	4.1
121.06525	2.0
121.10146	4.1
122.07301	0.8
123.04424	2.3
123.08073	2.8
123.11687	1.0
125.09657	5.8
127.03933	0.6
127.11236	0.7
128.06313	0.6
129.04536	0.9
129.05496	17.3
129.07014	1.3
129.10231	0.8
131.08569	3.5
133.06531	1.4
133.10123	3.9
135.08109	3.4
135.11700	2.8
136.07620	1.4
136.84319	0.6
137.05951	0.8
137.09644	6.4
138.10368	1.3
139.07582	0.6
143.07007	4.9
143.08600	0.7
145.10173	3.0
147.08055	2.0
147.11705	3.2
149.09616	2.6
149.13290	1.5
151.07524	0.8
151.11169	1.0
153.09109	2.2
155.10696	1.5
157.08646	9.6
157.10039	1.3
159.08073	0.8
159.11685	2.0
161.09647	2.1
163.11176	1.8
165.09213	0.8
165.12822	1.0
171.10246	4.1
175.11279	0.9
177.12738	2.1
183.14903	0.9
189.11197	2.6
189.12762	1.1
190.74762	0.7
193.12233	2.5
195.13861	1.2
200.14093	1.4
221.11760	5.4
227.12770	1.1
229.14368	5.5
239.12787	2.2
245.18999	1.1
269.17557	4.9
273.18497	4.5
275.20050	1.2
283.15417	0.7
289.18011	1.1
291.19510	1.9
295.15479	1.3
309.95316	0.6
313.16452	2.0
347.22397	1.4
349.23700	3.9
363.21741	1.3
365.23196	10.2
367.24686	0.8
381.22668	1.5
399.23825	100.0
423.70279	0.6
425.23297	0.7
530.95978	0.7
561.29041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	32.6
57.07080	19.4
57.88372	9.6
67.05511	57.5
69.03424	24.7
69.07071	53.2
70.06599	55.6
71.08647	10.5
71.52600	15.1
72.08152	8.4
75.04420	9.1
79.05492	25.1
81.03422	25.6
81.07063	100.0
83.08621	34.4
84.04515	15.5
84.08155	32.0
85.02922	67.9
85.06529	16.0
86.09703	26.3
87.00818	25.6
91.05502	17.8
93.07051	35.5
94.76670	9.1
95.04921	10.7
95.08620	90.2
97.02904	28.7
97.10184	18.3
105.01884	25.6
105.07053	21.0
107.08607	32.9
109.02867	13.0
109.10148	42.7
110.07234	8.9
111.11715	12.6
113.09668	8.6
119.08603	11.5
120.08105	12.3
121.10170	29.9
123.04434	8.6
123.11743	24.8
127.03928	31.1
129.10245	18.9
130.52094	9.2
131.08612	12.5
133.10159	14.0
135.07965	9.9
135.11688	10.1
145.04948	11.3
145.10074	13.5
147.04471	11.7
149.13277	16.7
151.14854	20.4
163.14819	9.1
165.16432	9.3
177.07655	9.0
195.80112	7.7
229.14180	10.9
231.05049	12.1
235.16763	9.2
263.14105	9.8
275.27420	19.1
281.12482	11.0
293.28400	30.3
299.68256	9.1
311.29547	18.1
339.13489	9.1
346.43567	9.1
390.52597	10.2
419.31601	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	596.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01884	4.4
55.05514	9.3
57.03434	2.3
59.04987	0.5
61.02920	1.5
65.03943	0.9
67.05508	8.6
68.96777	0.5
69.03416	2.3
69.07077	4.5
71.04979	2.2
71.53497	0.8
73.02937	0.7
79.05074	0.9
79.05498	12.3
80.57738	0.5
81.03410	1.9
81.07061	14.0
83.04990	2.8
83.08616	3.4
85.02897	2.1
85.06539	0.7
89.01582	0.7
91.03971	0.7
91.05486	10.5
93.06486	1.1
93.07050	14.7
95.04979	6.3
95.08618	5.1
97.02908	1.0
97.06518	1.2
97.10180	5.4
99.04527	0.6
101.01571	0.8
105.04490	0.6
105.07033	7.1
107.04963	4.4
107.08601	12.2
109.02872	1.1
109.06523	2.5
109.10154	3.1
111.04434	0.9
111.08084	1.3
115.05470	1.5
117.07024	7.7
119.04879	0.6
119.08592	9.5
120.08950	0.5
121.06503	2.8
121.10165	3.0
123.04406	1.4
123.08067	2.3
125.09631	3.9
128.06221	0.6
129.01035	1.8
129.07001	1.6
130.07846	0.7
130.98985	1.1
131.02641	0.8
131.08572	3.6
131.17294	0.5
133.06490	1.3
133.10135	3.4
135.08064	20.2
135.11682	1.2
137.09622	4.6
141.01001	0.6
141.06937	0.5
143.08569	2.0
145.06511	4.6
145.10138	2.3
147.08058	1.8
147.11737	1.7
149.09647	2.0
151.07500	0.6
151.11203	0.6
153.04674	0.7
153.09068	0.6
155.08562	1.5
157.10164	1.9
159.08037	3.2
159.11732	1.0
161.09662	3.8
161.11778	0.5
161.13264	1.0
163.07552	8.4
163.11174	1.3
165.09222	0.6
165.12793	0.5
169.10164	1.4
171.05708	6.4
171.10239	0.5
171.11668	1.1
173.09630	2.0
175.11102	0.7
179.10715	1.1
181.04205	0.6
181.85640	0.5
183.11694	1.1
185.09723	0.5
187.11197	0.6
189.09116	0.6
189.11226	1.4
191.10612	1.1
193.12346	0.7
194.12617	0.6
199.05171	2.5
201.12837	0.6
206.59866	0.5
210.08083	0.6
212.13631	0.7
215.16408	0.6
221.11720	1.4
225.16479	1.1
235.15015	0.5
243.17535	2.5
257.09393	0.7
261.18448	1.1
271.16943	4.5
276.20605	0.5
279.15201	1.8
289.17984	18.1
307.14600	1.5
325.15598	3.9
362.25510	0.5
363.21716	5.1
381.22693	2.0
399.19354	100.0
400.19601	1.3
455.30164	0.8
596.33264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
54.76112	2.3
54.79121	2.2
55.01876	14.1
55.05513	27.9
57.03443	10.6
57.07080	3.2
60.04538	2.6
63.74022	2.2
65.03934	6.3
67.05509	55.0
69.03431	13.1
69.07074	17.6
70.06618	4.3
71.04987	7.5
71.06918	2.2
71.52966	2.7
72.08156	3.4
79.05497	65.6
81.03411	13.3
81.07060	100.0
83.04981	32.5
83.08638	14.2
84.08192	3.0
85.02905	11.1
85.06546	4.8
86.09701	2.9
87.04458	7.7
91.05477	40.0
91.35135	2.2
93.07047	69.8
94.95304	2.2
95.04975	19.7
95.08607	28.6
97.02885	2.7
97.06526	9.9
97.10184	17.4
99.04459	6.0
99.08111	3.9
103.05481	2.5
105.07032	27.4
107.04977	12.9
107.08597	34.7
109.02840	4.2
109.06528	10.4
109.10127	13.3
111.04427	17.7
111.08091	9.5
117.07046	13.2
119.08595	29.4
121.06505	11.9
121.10152	52.8
123.04428	2.4
123.08083	40.2
125.06017	2.6
125.09629	16.4
129.06975	7.6
131.08566	37.7
133.06534	5.6
133.10129	9.6
135.08060	6.8
135.11688	9.7
137.05775	2.0
137.09610	7.1
139.11186	6.5
141.07008	3.8
143.08539	4.5
145.10121	17.6
147.08029	11.2
147.11674	5.8
149.09622	26.7
151.11154	2.5
153.09052	4.8
153.11613	2.4
153.12769	7.7
157.10156	3.8
159.08046	4.5
159.11687	4.5
161.09641	6.0
163.11185	19.1
165.09097	5.9
167.10725	19.8
169.10133	2.7
171.11649	3.2
173.09547	3.4
175.11217	4.4
177.09091	5.0
181.12234	12.7
189.11250	16.0
189.12784	3.3
191.09097	2.3
191.10684	9.7
193.12207	2.9
195.10205	5.7
209.11790	2.5
223.13255	8.3
227.12756	19.0
241.14357	5.6
243.15829	2.4
245.19019	3.6
249.15045	2.9
255.17609	4.2
269.13925	5.3
273.18518	36.9
283.15591	4.3
287.14886	38.5
291.19550	72.5
295.22479	4.0
309.20468	5.7
347.22162	8.1
359.55838	2.3
365.23230	27.2
426.65707	2.5
457.24673	2.6
577.33771	22.3
595.35059	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	595.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67897	1.1
53.03956	1.5
54.60032	1.1
55.01868	1.8
57.03421	3.2
59.36050	1.1
61.02923	2.4
65.03926	2.2
65.07629	1.1
67.05493	1.3
67.62920	1.0
69.03426	2.3
69.21334	1.2
70.06590	9.7
71.03007	2.4
71.04977	2.6
72.08154	1.9
73.02940	1.5
79.05466	1.1
81.03424	2.6
84.04500	3.4
84.08140	8.0
85.02898	8.8
86.09713	2.6
91.05449	1.8
91.81587	1.2
103.03960	2.0
107.04962	1.8
109.02855	2.7
110.07236	1.3
111.04462	1.8
119.04948	7.3
120.08073	1.5
121.02869	27.3
129.10237	2.8
133.06487	1.2
135.04475	1.8
136.07527	2.2
139.03894	1.8
145.02850	3.6
147.04428	1.8
159.04375	1.4
161.02457	1.3
163.03929	3.5
171.04314	1.3
175.03952	2.3
176.01030	1.5
177.01845	3.1
179.03423	3.1
181.04987	3.4
187.03851	2.1
189.01843	7.1
190.80798	1.3
191.03401	4.7
192.07713	1.3
195.02869	6.7
201.01913	1.5
203.03345	10.4
204.79048	1.3
205.05005	2.3
207.02831	8.2
215.03430	2.5
217.04974	5.1
219.02905	4.1
221.04440	2.6
227.03430	2.0
229.04970	3.1
231.02829	2.1
233.04535	3.0
234.60954	1.6
243.02895	1.3
251.07034	1.5
253.05258	1.5
255.02922	2.8
257.04376	2.2
267.06451	2.7
268.07248	4.2
269.04269	1.3
279.06494	5.4
280.07248	2.4
280.34253	1.3
281.08057	4.2
283.05988	7.0
285.03949	2.4
287.05536	5.1
291.06473	2.7
293.08102	3.4
294.05264	18.7
295.06012	72.6
296.06827	6.9
297.07465	8.3
307.06018	45.0
307.09351	1.1
308.06699	13.2
309.07574	12.4
313.07086	5.7
317.08127	2.8
319.05960	5.3
319.09433	2.1
320.06744	3.8
321.07596	24.4
322.08362	8.8
323.05524	3.1
323.08984	4.0
325.07065	95.1
326.07391	1.4
329.07837	1.7
331.06039	1.7
333.07590	8.3
335.05618	2.3
335.09171	15.0
336.06158	3.1
337.07068	57.3
337.11142	3.0
339.08627	3.3
345.07614	3.2
346.08401	1.9
347.09158	8.8
349.07080	31.3
350.07770	1.3
351.04828	1.2
351.08652	23.0
355.08139	16.1
357.07397	2.8
359.09167	1.5
361.06982	17.4
361.10623	1.4
363.08508	6.9
365.10187	9.4
367.08060	6.3
373.07153	6.9
374.08105	2.4
375.08582	11.2
379.08130	49.4
383.08545	1.3
385.07169	2.3
387.08560	2.7
389.10095	3.4
391.08066	25.5
393.09470	2.3
401.10199	3.3
403.08060	23.6
409.09225	40.8
413.10315	2.0
415.08139	4.0
417.09619	1.9
421.09158	17.0
427.10306	34.8
433.09512	3.4
439.10287	27.5
445.10916	5.6
451.10117	2.0
457.11334	100.0
463.10281	7.0
475.12350	22.9
481.11310	24.9
487.09982	2.6
493.11224	3.9
499.12338	18.3
505.11414	5.8
511.12323	24.7
523.12408	22.1
529.13458	12.1
541.13428	29.1
559.14490	25.4
577.15479	16.2
595.15759	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1454
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03938	0.3
55.01876	0.3
55.05513	0.2
57.03416	0.2
65.03943	1.0
67.05494	0.3
69.03439	1.2
69.07064	0.4
70.06601	1.1
71.22214	0.3
72.08149	0.6
79.05505	0.2
81.03423	2.7
81.07030	0.3
84.04509	0.3
84.08147	0.8
85.02916	0.9
86.09711	0.8
91.05482	10.1
93.07051	0.3
95.08598	0.2
97.02905	0.7
99.04460	0.4
103.61855	0.2
107.08613	0.2
109.02885	1.1
110.07215	0.2
111.04490	0.2
114.09172	0.3
119.04946	21.8
120.08092	0.4
121.02911	0.5
121.06564	0.3
123.04448	0.9
127.03921	0.8
129.10242	0.7
133.10159	0.4
135.11656	0.2
147.04414	100.0
148.04771	0.5
149.09702	0.2
153.01834	0.8
153.47525	0.2
165.01859	0.6
165.05490	3.0
167.07106	0.2
181.04907	0.3
183.02808	0.2
201.05458	0.2
213.05547	0.2
219.06557	0.7
241.05081	0.2
258.04913	0.2
285.07596	0.9
286.07831	0.9
287.05499	20.3
287.07907	0.9
288.84607	0.2
291.08627	4.7
309.09732	2.0
353.10178	0.2
416.15067	0.4
595.23987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.3
53.03947	11.4
55.01870	19.4
55.05270	3.6
55.05515	48.6
55.50555	2.2
57.03440	16.8
57.07080	4.2
65.03946	5.5
67.05508	70.5
69.03423	10.4
69.07076	23.2
70.06590	4.8
71.04993	9.8
71.52685	4.3
77.03933	3.2
79.05495	65.0
81.03420	60.0
81.07061	100.0
83.04986	33.7
83.08628	31.7
85.02908	25.9
85.06541	6.5
91.05475	56.7
93.07047	60.5
95.04979	42.8
95.08614	33.1
97.02883	4.2
97.06547	15.0
97.10175	32.2
99.04462	9.9
99.08086	4.8
103.09552	2.3
105.07038	40.0
107.04961	19.8
107.08599	39.5
109.06525	13.7
109.10152	20.1
111.04449	26.7
111.08098	17.8
113.06014	2.7
115.05437	4.1
117.07046	15.8
119.04952	3.0
119.08589	37.5
121.06522	10.2
121.10141	31.6
122.77700	2.3
123.04453	3.0
123.08072	27.2
123.11701	4.2
125.09639	26.1
128.06244	2.6
129.07010	18.4
131.08554	30.9
133.06491	3.9
133.10150	23.4
135.08047	9.9
135.11676	15.3
137.09639	8.6
142.07771	4.2
143.08560	6.4
145.06461	3.1
145.10149	26.4
147.08070	15.5
147.11676	18.6
149.02306	2.4
149.09642	19.6
151.11189	2.7
153.01746	3.1
153.12764	15.0
155.08548	2.7
157.10103	13.4
159.08110	2.6
159.11694	6.3
161.09663	7.5
161.13263	3.8
163.11179	30.3
165.09108	5.7
165.12781	4.2
171.10219	2.4
171.11674	5.1
173.09622	6.7
173.13300	3.1
175.11238	14.1
181.10075	2.7
181.12288	15.4
189.11221	23.2
191.10663	12.2
193.12250	31.8
209.11687	5.3
211.13312	47.7
223.13303	16.8
227.12761	24.2
233.19353	2.4
255.17393	3.6
265.14465	13.6
267.15860	20.9
269.17697	3.0
273.18527	24.8
275.20041	18.5
283.15372	8.5
285.16959	27.4
291.19553	62.9
293.21045	9.2
301.16547	3.7
309.20615	5.2
333.24121	5.4
347.21945	3.8
348.65585	2.7
349.23816	4.3
365.23224	30.7
465.29712	3.9
539.33417	3.5
557.34741	21.6
575.35840	41.3
593.37177	41.5
593.45807	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	593.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.3
53.03955	9.2
53.04164	1.8
53.83858	1.4
55.01876	29.0
55.05517	51.2
57.03448	8.2
57.07077	2.5
59.04990	2.5
60.29258	1.5
65.03946	6.4
67.05510	100.0
69.03432	6.2
69.07072	30.2
70.06577	2.1
71.05001	12.2
73.02926	2.0
79.05499	83.2
80.97103	1.5
81.03416	17.0
81.07061	79.0
82.07384	2.1
83.04990	57.1
83.08621	31.3
85.02921	12.2
85.06545	5.9
86.09691	2.6
87.40676	1.5
91.05482	58.5
93.07050	94.1
95.04974	84.9
95.08615	40.3
97.02924	2.6
97.06543	21.3
97.10160	13.2
99.04462	18.6
99.08099	3.9
101.02363	1.8
103.05463	2.3
105.04539	5.2
105.06353	1.0
105.07038	40.6
107.04961	35.9
107.08601	61.5
109.06522	17.2
109.10155	24.3
111.04451	65.8
111.08096	18.7
113.06046	4.9
115.05463	3.6
117.07018	28.0
119.08590	39.3
119.09361	3.0
121.06527	13.0
121.10146	56.5
123.04449	3.0
123.08073	11.8
123.11742	3.7
125.06018	6.0
125.09630	14.3
128.06270	2.1
129.05498	3.2
129.07001	11.5
130.07784	3.2
131.04950	4.6
131.08585	29.0
133.06593	1.6
133.10139	21.3
133.10945	1.9
135.08064	9.9
135.11707	40.1
137.09674	5.1
139.07570	2.6
139.11221	4.4
141.06990	2.3
141.09312	1.7
143.08592	5.1
145.06563	6.8
145.10139	53.0
147.08018	8.1
147.11705	15.6
149.09634	40.7
149.13287	4.2
151.11255	2.9
153.09181	3.3
153.12764	23.2
153.13925	1.8
155.08560	11.7
157.10176	5.4
159.11691	10.6
161.09642	5.1
161.13304	2.9
163.07550	2.0
163.11189	72.5
165.12842	4.3
169.10115	3.6
171.10304	1.9
171.11681	2.7
173.09615	17.4
173.11990	2.1
173.13353	5.3
175.11267	4.2
177.12819	6.2
181.12239	31.0
181.13701	2.3
183.11729	3.4
185.13330	2.0
187.11259	4.9
187.14934	2.0
189.11230	13.1
191.10710	25.3
193.12288	4.2
197.13297	2.2
199.15039	1.6
205.12375	7.6
207.13814	2.1
209.11746	13.0
213.12650	1.9
219.13802	1.8
223.13300	67.0
223.15437	3.4
227.12813	29.2
229.14291	1.8
229.19676	3.8
229.50334	1.7
239.17982	3.9
247.20743	3.1
257.19006	12.4
265.14355	53.8
267.16003	2.2
273.18713	2.5
275.20093	84.3
283.15430	47.0
291.19690	3.1
293.21133	52.7
293.24222	3.2
294.12546	1.8
301.16446	11.3
311.22321	4.9
331.22885	2.3
349.23734	18.8
367.25052	5.6
444.48618	1.8
539.33270	3.3
557.34698	21.7
575.35815	35.6
593.37000	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
62.17592	0.3
62.75108	0.3
67.05498	0.5
69.07074	0.3
69.63930	1.7
79.05529	0.4
80.47935	0.3
81.07082	0.4
93.07061	0.6
95.08638	0.3
107.08598	0.3
119.08554	0.4
131.08635	0.4
145.10110	0.3
147.09109	0.3
168.48895	0.3
168.53204	0.3
180.72067	0.4
195.00801	0.3
198.11827	0.3
234.20657	0.3
314.27750	0.3
324.14609	0.3
389.17685	0.9
390.18500	0.4
402.18408	0.8
403.19229	2.5
404.20117	0.8
405.20682	1.4
416.20221	0.5
417.16321	0.8
417.21414	3.4
418.21548	1.0
419.22351	3.8
429.21292	0.4
430.17410	0.5
431.18167	6.8
431.23566	0.6
432.18823	2.2
433.24268	5.7
434.24786	0.7
445.19986	8.5
446.20752	3.7
447.21680	4.0
449.23248	0.4
459.21677	3.7
460.22583	9.5
461.23245	9.1
462.20294	0.3
463.20920	0.4
473.23917	1.8
474.24167	0.4
476.25635	0.8
477.22815	0.5
487.24759	1.0
489.19910	0.4
489.26813	0.6
491.24710	0.9
492.25247	0.9
505.21954	4.8
518.23358	0.7
519.24188	0.6
533.25525	24.4
534.26147	0.5
551.19623	0.4
561.24738	0.5
564.23615	0.7
565.28296	0.6
566.51550	0.4
593.27600	100.0
594.27570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79836	1.1
53.03934	3.8
55.01863	3.4
55.05308	1.1
55.05519	11.6
56.05036	1.1
57.03433	2.9
57.07077	9.6
59.04990	3.5
65.03973	1.5
67.05509	19.3
69.03439	7.6
69.07069	49.3
70.06592	4.7
71.04994	3.6
71.52677	1.5
72.08144	2.6
73.02911	1.2
73.06567	1.2
78.10686	0.9
79.05492	17.1
81.03413	5.9
81.07058	77.7
83.04986	3.9
83.08629	13.0
84.08138	3.4
85.02901	9.9
85.06543	11.2
85.47189	1.1
86.09692	2.9
86.51720	1.0
87.00797	3.4
91.05466	10.0
93.07051	19.6
95.04961	5.0
95.08612	27.6
97.02885	5.5
97.06523	9.5
97.10162	3.0
99.04439	2.9
99.08080	2.5
105.01899	2.7
105.07035	8.1
107.04954	4.8
107.08601	18.0
109.02875	4.0
109.06532	2.6
109.09473	1.5
109.10160	17.6
111.04431	2.8
111.08066	5.0
111.11720	14.2
115.05485	1.2
117.07017	3.8
119.08601	6.8
120.08118	1.1
121.06507	1.5
121.10156	10.8
123.11710	100.0
125.09658	2.6
125.13279	3.7
127.03944	6.0
127.11207	7.1
129.06985	1.3
129.10246	2.0
131.08560	3.8
133.10094	4.1
135.08038	1.8
135.11691	15.2
137.09630	1.3
137.13239	6.6
139.11174	1.0
143.14322	2.7
145.04942	1.5
145.10130	6.2
147.08104	1.3
147.11714	5.5
149.09619	3.2
149.13264	7.9
151.14804	1.7
153.12762	27.3
155.14317	9.3
157.10152	1.8
159.02888	1.3
159.11700	3.1
163.11220	5.8
163.14871	1.5
167.07037	1.1
171.11691	2.0
171.13800	9.1
173.09555	2.0
173.13304	1.7
181.12204	2.3
187.11139	1.1
189.11130	1.3
191.10645	2.2
207.73116	1.2
209.11671	1.5
223.13341	1.7
225.22072	2.8
227.12781	2.0
239.23697	4.5
241.18889	1.2
257.19034	1.8
265.14288	3.4
269.17505	4.3
275.20135	10.0
279.70273	1.2
283.15442	3.5
291.26816	6.2
293.20981	1.6
297.27924	15.9
309.27884	55.1
313.05594	1.2
327.29022	10.6
341.14819	1.3
349.23782	3.6
385.04962	1.1
399.28781	1.6
417.30057	1.4
521.31183	2.0
528.57623	1.0
557.34302	1.2
575.36066	2.7
583.91113	1.6
593.37262	2.2
613.10199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.05026	0.9
65.03941	2.5
66.84444	0.2
67.05509	1.1
69.03416	0.9
69.07069	0.3
70.06595	1.8
70.91079	0.5
72.08148	0.8
74.06075	1.6
76.34155	0.2
79.05464	0.4
82.04195	0.8
84.04487	0.7
84.08161	1.6
85.02901	2.0
85.51772	0.2
86.09723	1.3
91.05457	0.5
92.02520	0.4
93.03387	0.9
95.04980	0.2
97.02892	0.6
97.06523	0.9
102.05540	2.1
108.02036	0.3
110.03670	1.5
110.07169	0.3
119.03554	5.2
119.04869	0.3
120.06585	0.7
120.08079	0.7
125.05977	1.2
129.10243	0.9
136.06189	70.3
137.04593	1.9
138.03091	0.7
142.02582	1.6
153.05457	1.7
162.04115	78.5
169.11427	0.2
171.06534	2.4
181.04956	100.0
217.08324	0.8
235.09389	2.9
235.87611	0.2
250.39919	0.2
263.08859	6.2
268.10382	0.8
281.09933	2.9
282.09698	0.6
294.08337	1.7
296.81482	0.2
300.10782	28.4
461.14178	44.6
462.14310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28078	5.4
53.03944	6.1
53.66010	3.8
55.01867	5.3
55.05497	14.1
57.43684	4.8
64.46247	3.8
67.05513	38.5
69.03411	7.4
69.07045	9.3
70.06588	7.3
70.06969	4.1
71.04982	5.6
79.05498	29.4
80.05833	5.0
81.07062	46.1
82.07389	4.3
83.04955	9.2
83.08632	7.1
86.09701	7.3
91.05474	15.2
92.99970	4.6
93.07056	20.3
95.04957	16.0
95.08609	22.1
97.02835	4.9
97.06531	11.8
99.04437	5.1
104.10732	7.5
105.07026	15.8
107.04966	6.2
107.08575	15.2
109.06514	12.8
109.10152	13.1
111.08049	4.9
112.06308	4.2
115.34562	4.0
117.07067	10.5
119.08566	23.0
121.06499	8.8
121.10144	12.7
123.08080	4.3
125.09606	4.9
131.08542	5.3
133.10138	8.4
135.11679	7.7
136.06181	10.2
137.09613	7.9
145.10107	12.5
147.08043	8.1
149.09601	6.5
151.11119	5.0
155.10652	4.1
159.11714	7.5
161.09528	5.3
163.11177	12.7
184.07330	8.6
187.08031	4.1
233.06810	4.0
269.17532	8.7
273.18344	4.2
274.18832	5.2
275.20084	31.9
284.15775	8.0
291.19540	6.3
293.21042	8.3
349.23700	91.3
367.24771	100.0
574.34174	5.8
592.37213	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	592.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01869	6.0
55.05511	10.9
57.03431	2.2
65.03930	1.6
66.92538	1.3
67.05504	19.6
68.05848	1.6
69.03440	1.8
69.07062	5.3
70.06577	2.9
70.86655	3.2
71.04993	1.8
72.08139	1.3
79.05501	20.7
80.05824	3.3
81.03410	5.0
81.07062	22.2
82.07408	2.8
83.04996	8.7
83.08616	7.9
84.08173	2.4
85.02901	3.4
86.09706	2.3
91.05478	16.5
91.44459	1.3
92.05808	2.6
93.07042	17.0
94.07390	2.4
95.04970	19.8
95.08604	9.8
97.02864	1.7
97.06523	4.6
97.10168	5.3
99.04466	1.9
104.10759	4.1
105.07025	12.1
107.04948	8.5
107.08586	13.7
108.05272	1.7
109.06515	4.8
109.10156	5.7
111.04432	7.6
111.08086	4.5
112.04763	1.6
117.07012	7.8
118.07348	2.5
119.08568	11.7
120.08922	2.2
121.06492	4.0
121.10144	7.9
122.10495	2.2
123.08047	5.2
124.99985	1.4
125.09637	6.1
129.07030	2.9
131.04903	1.5
131.08572	6.4
133.10162	6.9
135.08047	4.1
135.11717	7.9
136.06204	1.3
136.12022	2.8
139.11137	1.9
143.08543	2.7
145.06505	2.2
145.10107	10.1
146.10471	2.8
147.08092	3.1
147.11714	5.5
149.09625	6.8
153.12770	2.9
154.13142	1.6
155.08537	2.8
157.10164	1.6
159.11678	4.7
161.09671	3.3
163.11180	13.7
164.11566	3.9
165.12752	1.4
169.10164	1.8
171.11633	2.6
173.09616	4.5
173.11885	1.5
173.13304	1.9
174.09973	1.7
177.12686	2.5
181.12225	3.3
184.07346	5.2
187.11221	1.5
189.11183	7.7
191.10715	4.3
205.12294	2.5
209.11739	1.7
223.13261	16.0
227.12772	3.5
257.18918	3.6
266.14627	2.9
269.17459	2.1
273.18396	7.6
274.18796	7.9
275.20074	29.4
279.08234	1.3
283.15439	4.0
284.15808	2.4
291.19598	5.2
292.19809	6.8
293.21085	31.6
297.17148	1.7
302.16833	1.9
348.22433	2.5
349.23672	15.9
367.24789	100.0
385.25833	7.4
556.33337	3.0
574.34668	7.0
592.36084	13.3
606.77472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02372	1.0
50.37285	1.0
51.20786	1.0
53.16247	1.1
55.01855	3.2
55.05507	5.9
55.40348	1.1
57.03430	1.3
61.56113	1.0
62.37281	1.2
67.05502	6.9
69.03435	1.3
69.07059	3.6
70.06570	3.8
70.66340	1.3
70.66669	1.9
72.08136	1.3
72.36784	0.9
79.05490	6.5
79.40831	1.0
81.03426	1.8
81.07064	7.4
83.04995	1.9
83.08623	5.4
84.04504	1.6
84.08134	3.3
85.02888	2.8
85.06544	1.4
86.09676	2.7
86.53802	1.1
91.05449	5.7
93.07051	5.5
95.04984	11.0
95.08596	4.9
97.02887	2.0
97.06569	1.6
97.10159	2.0
99.04452	1.4
105.07006	5.6
107.04942	2.6
107.08580	5.4
109.06468	2.1
109.10133	3.0
109.66505	1.3
111.04431	3.1
111.08064	1.6
119.08578	3.5
120.08086	1.2
121.06467	1.6
121.10144	4.8
123.04391	1.2
123.08051	1.9
125.09609	3.0
131.08569	3.4
133.10098	4.1
135.11670	2.2
136.06136	2.9
145.10091	4.7
147.11665	2.1
149.09592	5.0
159.11647	2.5
161.13136	1.2
163.11143	5.0
171.11661	1.1
177.12730	1.1
184.07269	1.5
189.11209	4.9
191.10559	1.3
204.51772	1.1
205.12253	1.3
205.52832	1.4
221.06770	1.1
223.13316	10.7
245.57167	1.1
257.18918	2.4
269.17584	2.1
275.20074	17.4
293.21002	13.1
349.23740	11.3
367.24802	100.0
592.36145	2.7
601.74481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42136	1.8
53.03944	2.7
55.01882	3.9
55.05508	12.8
57.03427	3.2
59.04997	2.4
61.02922	2.1
67.05515	17.8
69.03453	2.7
69.07064	8.8
70.06599	2.9
71.04995	8.0
71.26714	3.7
79.05506	14.7
81.03416	4.1
81.07068	25.6
83.05013	4.0
83.08636	12.1
84.08144	1.9
85.02917	2.5
86.09712	3.6
91.05482	16.6
93.07049	18.3
95.04964	7.4
95.08595	11.4
97.02905	3.1
97.06526	2.6
97.10173	4.6
103.05508	2.0
105.07040	14.6
107.04954	6.5
107.08603	12.1
109.02883	2.8
109.06528	7.8
109.10162	8.6
111.08105	5.8
117.07014	6.0
119.08595	13.3
121.06496	4.6
121.10188	9.3
121.88319	1.9
123.08094	3.0
125.00037	3.2
125.09642	8.8
131.08591	5.0
133.10118	9.9
135.08076	13.9
135.11693	4.8
136.06218	2.6
136.62321	1.9
137.09589	3.8
145.06439	2.6
145.10114	11.4
147.08018	3.9
147.11707	5.1
149.09634	9.8
151.11220	3.2
153.09068	3.5
157.10175	2.6
159.11697	5.0
161.13286	3.9
163.07576	4.2
163.11214	9.9
171.11688	3.1
173.09625	2.4
173.13269	3.1
177.12720	2.3
183.11626	3.2
184.07358	8.3
189.11237	3.4
191.10783	2.6
191.14491	1.9
205.12192	2.3
227.12819	3.6
229.19467	2.8
239.18010	3.7
243.17302	2.4
257.18878	5.0
261.18533	3.6
271.16794	2.1
273.18539	2.3
275.20087	53.8
289.17984	15.4
293.18219	2.2
293.21198	8.0
321.20584	3.6
349.23776	61.8
363.21719	13.1
367.24811	100.0
381.22580	10.7
385.25928	2.2
395.24329	40.5
463.13309	2.0
574.34546	3.4
581.27942	2.3
592.36243	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	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
54.36507	1.8
55.05515	14.6
57.03449	11.1
57.06832	2.7
57.07084	39.8
64.32947	2.1
64.73316	1.9
65.62889	2.1
67.05513	64.7
69.00632	2.1
69.07064	14.8
69.30527	13.6
69.30942	5.1
71.04996	2.5
71.08633	23.8
73.64545	2.1
79.05501	33.0
81.06596	3.3
81.07062	65.2
83.08619	12.6
85.10201	16.0
85.33546	2.3
91.05510	13.1
93.07042	41.4
95.04984	3.0
95.08615	62.2
97.10163	7.2
105.07027	14.3
107.08611	26.7
109.10159	25.5
117.07017	6.2
119.08583	10.8
121.10144	20.9
123.11700	9.0
131.08565	13.9
133.10115	8.8
135.11697	18.3
137.13287	6.8
145.10115	8.4
147.11693	9.5
149.13269	9.5
151.14851	2.9
159.11693	3.8
161.13223	5.3
163.14796	7.0
173.13263	7.1
187.14856	3.1
239.23608	6.0
243.21132	11.7
261.22159	56.1
274.54266	2.2
279.23111	3.7
313.27411	100.0
317.24847	10.2
335.25824	66.4
363.25870	2.3
530.01929	1.9
532.03802	2.3
573.48889	26.5
589.62708	2.2
591.49744	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	591.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47396	1.3
53.03946	6.7
55.01876	8.2
55.05513	41.0
57.03436	10.8
57.07083	1.8
60.31347	1.2
65.03941	4.1
67.05509	61.3
67.77749	1.2
68.14164	1.2
69.03427	3.6
69.07071	19.8
69.21207	11.3
69.46349	1.1
71.04999	5.1
73.06545	1.3
77.03925	1.3
79.05495	73.5
81.03424	13.4
81.07059	55.2
81.52505	1.1
83.04986	19.6
83.08623	24.9
85.02909	4.4
85.06541	3.2
91.05484	62.5
93.07047	68.9
93.59265	1.3
95.04971	81.1
95.08617	30.2
97.06541	7.6
97.10169	13.3
99.04458	6.1
99.08131	1.7
103.05491	1.2
105.04514	2.1
105.07035	47.2
107.04966	15.0
107.08601	37.7
109.06510	11.8
109.10166	12.6
110.01968	1.4
111.04442	7.9
111.08094	5.3
115.05457	3.5
117.07020	16.3
119.08581	31.5
121.06521	7.8
121.10135	15.3
123.08078	9.5
123.11713	2.6
125.05983	2.2
125.09627	10.8
128.06241	3.0
129.05510	1.4
129.07005	14.9
130.07765	2.0
131.08565	16.2
133.06517	3.0
133.10143	19.2
135.08041	5.4
135.11703	9.9
137.09627	2.9
141.07045	1.9
143.08568	9.4
145.06508	1.4
145.10130	25.4
147.08043	7.4
147.11694	29.1
149.09628	26.5
149.13225	1.2
153.09146	2.9
153.12729	1.5
156.09335	1.9
157.10092	3.6
159.08223	1.3
159.11694	9.3
161.09637	6.2
161.13258	11.8
163.11180	22.9
165.12766	4.4
169.10188	3.2
171.10251	1.8
171.11674	19.0
173.09653	2.8
173.13347	2.2
177.12714	3.2
179.10657	1.3
181.12187	2.3
183.11717	1.4
187.11232	4.1
189.11221	11.5
189.12778	11.1
193.12267	2.8
197.13260	1.6
201.12784	1.7
205.12318	4.5
207.13806	18.8
211.13303	1.9
223.13309	42.3
225.14912	2.6
227.12833	2.3
229.19482	2.2
239.18011	1.9
247.20529	2.3
257.19125	7.6
259.20792	1.8
273.18570	2.3
275.20087	55.8
279.15964	1.5
281.17487	100.0
283.15411	2.5
293.21115	31.6
296.57831	1.4
322.93326	1.2
331.22507	2.9
333.24451	1.3
335.25436	1.5
349.23758	15.9
367.24789	18.9
396.93878	1.3
555.36884	23.2
573.37976	39.3
591.33801	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.00306	4.7
53.03948	8.4
55.01878	16.8
55.05512	43.5
57.03442	5.0
57.07079	1.6
59.05001	4.0
65.03944	5.0
67.05506	54.8
69.03442	6.3
69.07073	24.1
71.01349	3.6
71.04997	8.4
77.03957	1.9
79.05495	50.8
81.03420	14.2
81.07059	59.5
83.04976	18.0
83.08626	30.0
85.02917	7.9
85.06555	3.0
91.05487	62.1
93.07047	58.9
93.07649	2.8
95.04971	55.9
95.08614	30.0
97.02878	7.9
97.03442	1.3
97.06545	9.5
97.10183	11.5
99.00818	19.3
99.04453	10.1
99.08118	1.4
103.05492	3.9
105.07036	50.8
107.04958	20.9
107.08596	35.4
109.02872	14.0
109.06528	14.6
109.10160	17.9
111.04450	13.9
111.08096	11.2
113.06050	2.1
115.05468	2.8
117.07024	14.7
119.04972	1.6
119.08582	31.6
119.09367	2.2
121.06506	15.6
121.10137	15.6
122.07300	1.6
123.04427	3.8
123.08057	7.8
123.11733	5.6
125.06011	2.3
125.09625	10.4
127.03932	3.7
128.06255	4.1
129.05498	1.8
129.07007	7.5
130.07802	1.4
131.08562	17.5
133.06508	3.6
133.10139	50.0
135.08083	7.7
135.11726	7.0
136.06270	1.8
137.06030	1.7
137.09634	3.9
139.07544	2.5
139.11208	3.6
141.06996	1.5
143.08586	7.3
143.10715	1.6
145.06514	2.2
145.10127	17.6
147.08032	8.2
147.11687	11.9
149.09621	20.9
149.13304	1.8
151.07527	1.4
151.11208	11.6
153.07037	1.6
153.09108	2.8
153.12735	1.6
157.10161	4.4
159.08063	1.6
159.11664	10.5
161.09625	19.7
161.13289	2.3
163.11172	22.4
165.09190	2.3
165.12830	2.7
167.10747	1.9
169.10196	2.1
171.08096	3.9
171.11740	4.7
173.09805	1.8
173.11755	1.5
173.13235	2.8
175.11172	3.0
177.12778	3.2
179.10742	10.1
181.12256	3.0
183.11703	2.3
185.13380	1.9
187.11261	3.0
189.09183	7.7
189.11267	14.0
189.12708	2.3
191.10754	2.3
193.12321	3.0
197.11731	2.8
197.13379	1.9
199.14729	2.0
205.12315	7.3
207.10153	3.2
207.13922	2.7
211.13271	2.0
223.13298	53.2
223.15450	2.7
225.11241	14.2
227.12798	4.1
229.19572	3.6
239.17990	2.9
247.20729	3.1
257.19098	8.2
267.15988	1.9
273.18637	3.8
275.20062	65.9
279.15921	1.8
281.14240	8.0
281.17145	7.9
283.15454	1.4
291.19513	3.8
293.21127	37.5
293.24277	2.7
299.14847	8.4
331.22726	1.6
347.22330	1.5
349.23782	13.4
367.25009	4.3
431.83228	1.3
475.68921	1.4
555.36865	4.0
573.34198	9.4
591.35327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01870	1.7
55.05513	12.8
57.03436	2.2
57.07092	3.7
59.04999	1.1
61.02917	1.3
67.05510	8.5
69.03436	8.0
69.07071	100.0
70.06584	3.2
70.43382	1.5
70.43776	1.3
71.04996	2.2
72.08181	0.9
72.13476	0.6
73.02927	2.5
73.06567	0.7
79.05512	4.0
81.03428	5.4
81.07063	34.0
83.05006	1.1
83.08626	6.2
84.04512	0.7
84.08147	2.5
85.02909	11.2
85.06550	4.7
86.09711	2.5
87.00851	5.1
91.05489	3.1
93.07045	8.2
95.04995	1.9
95.08616	25.2
97.02906	5.2
97.06509	3.6
97.10193	3.4
99.04454	1.8
99.08092	4.4
101.06061	1.7
105.01886	2.4
105.07039	5.1
105.93610	0.6
107.08595	8.8
109.02888	4.9
109.06529	2.4
109.10162	15.4
109.10841	1.3
111.08111	3.0
111.11726	29.1
113.09636	1.0
119.08579	6.7
120.08131	1.3
121.10162	9.7
123.08086	1.7
123.11704	20.9
125.09661	1.1
127.03917	7.7
127.11205	4.0
129.10271	1.1
129.12807	1.9
131.08592	1.5
133.10167	2.5
135.08060	0.9
135.11697	6.0
137.09650	1.2
137.13274	2.2
139.11191	26.5
143.08484	0.8
145.04997	2.1
145.10159	1.9
147.11719	2.4
149.09552	0.7
149.13286	4.9
151.11246	0.8
151.14813	4.3
153.12761	2.0
155.10725	1.3
157.12247	10.6
159.02873	1.2
159.11679	3.9
161.13260	3.4
162.50949	0.6
163.11232	1.6
163.14871	2.1
165.12767	3.3
167.14371	2.1
173.13289	1.6
175.14946	0.9
177.12831	0.9
177.16379	1.2
179.14412	2.7
181.12160	0.7
187.14882	2.0
189.16473	0.9
201.16473	0.7
215.17923	0.9
219.17526	0.8
231.05054	1.4
237.18597	2.4
251.20085	1.4
263.23755	1.5
271.24380	1.4
277.25403	1.8
289.25235	6.6
295.26337	21.8
307.26328	47.8
325.27383	24.8
343.28351	0.8
397.26978	0.7
477.16840	0.7
519.29303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01882	2.4
55.05515	14.6
56.68025	1.1
57.03417	4.1
57.07079	11.2
59.04997	2.9
61.02925	2.0
65.03932	1.8
67.05504	18.4
69.03432	14.1
69.07070	66.9
70.06580	5.5
70.96361	2.7
70.96732	1.7
71.04980	5.4
71.08612	1.6
72.08132	1.9
73.02907	1.7
73.06552	3.3
76.43655	1.2
79.05505	12.8
81.03411	6.9
81.07056	100.0
82.53392	1.2
82.53900	1.2
83.04971	5.5
83.08615	17.1
84.08123	2.5
85.02440	1.6
85.02908	18.5
85.06546	18.8
86.09703	2.0
87.00821	7.9
91.05487	7.5
93.07044	25.9
95.04950	5.2
95.08607	54.6
97.02897	7.6
97.06515	9.7
97.10154	3.0
99.04444	5.2
99.08100	11.0
101.06017	2.7
105.01856	5.3
105.06499	1.3
105.07043	13.4
107.08592	25.8
109.02867	5.2
109.06541	6.4
109.10159	36.4
111.08086	21.1
111.11718	14.1
113.06010	2.6
117.07015	1.7
119.08585	6.1
121.06488	2.4
121.10139	16.2
123.08082	3.5
123.11709	88.1
125.09595	2.3
125.13275	2.8
126.54230	1.2
127.03912	11.2
127.11192	25.0
129.10172	1.2
131.08551	1.4
133.10123	5.2
135.08057	2.4
135.11685	22.1
137.09615	2.2
137.13255	18.4
139.11171	5.0
143.14336	1.3
145.04938	2.3
145.10086	3.5
147.11687	7.6
149.02283	1.3
149.09636	1.6
149.13240	7.5
150.02713	1.3
151.11160	4.6
153.11513	2.4
153.12737	39.8
155.14302	2.3
159.02898	2.5
159.11711	4.9
161.13242	4.9
163.11142	2.6
163.14812	2.3
165.12747	13.8
167.14273	1.3
169.12283	1.4
171.13795	11.5
173.13185	1.6
175.14755	2.5
177.12675	1.7
177.16374	1.4
179.14218	1.4
183.13773	2.2
185.09459	1.4
187.14757	1.9
189.16373	2.2
193.16051	1.6
201.16306	2.7
209.18909	1.5
213.03951	1.6
219.17369	3.5
219.21176	1.6
231.05006	1.7
237.18491	20.8
237.22153	2.3
253.54836	1.3
255.19453	6.0
263.23685	2.4
271.24063	1.3
277.25278	12.6
281.24637	1.7
289.25247	14.3
295.26300	24.9
307.26303	79.3
313.27444	6.3
325.27371	41.0
343.28418	23.1
433.29144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.05517	12.6
57.03447	8.9
57.07083	34.6
65.03954	1.9
67.05510	33.1
67.52842	2.1
69.07072	15.9
69.99387	2.9
69.99736	6.8
71.04999	2.1
71.08639	24.7
76.02921	1.8
79.05077	2.1
79.05498	25.8
81.06601	2.1
81.07067	40.9
83.08627	14.6
85.06516	1.9
85.10200	11.8
91.05488	40.0
93.07050	30.2
95.04957	2.6
95.08617	37.1
97.10181	5.5
99.08082	4.8
105.07040	41.7
105.60323	1.9
107.08591	23.1
109.06495	2.1
109.10175	14.8
110.62418	1.5
111.11709	2.1
111.68014	1.8
117.07026	10.5
119.08602	39.5
121.10139	14.8
123.11704	3.5
129.07024	9.1
131.08580	11.2
133.09256	2.5
133.10152	31.3
135.08043	1.9
135.11716	11.6
137.05974	1.9
137.13293	3.2
143.08578	7.4
145.10141	16.1
147.11700	33.0
149.13300	9.4
157.10159	9.8
159.11729	14.9
161.13272	32.6
163.14838	3.3
171.11667	7.9
173.13292	9.0
175.11182	2.2
175.14851	15.6
185.13225	8.4
185.56947	2.0
187.14784	4.1
189.12749	3.0
199.14825	7.0
203.14279	2.4
213.16328	1.7
217.19574	1.9
231.21114	11.2
239.23714	4.9
241.19511	37.7
245.50612	2.0
254.92374	1.6
257.24759	2.3
259.20596	88.1
277.21625	2.8
313.27396	100.0
315.23273	4.9
333.20477	2.6
333.24283	52.0
491.37076	2.1
571.47229	10.2
589.48639	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07277	0.3
61.57435	0.3
71.31623	0.7
74.02455	0.4
74.78609	0.4
89.03956	0.5
91.05500	0.8
93.48419	0.3
100.62655	0.3
115.05441	0.9
115.32549	0.4
117.05779	0.8
117.07030	1.3
118.06547	18.4
119.04864	0.4
130.06520	1.4
132.08095	5.5
133.35030	0.3
135.04401	0.4
142.06526	2.3
143.07321	2.7
144.07019	0.7
144.08096	11.4
146.06013	56.8
147.04382	1.1
150.94510	0.4
155.06056	0.5
159.09192	5.6
160.07603	1.0
163.03938	0.6
170.06030	5.0
173.54405	0.4
188.07071	100.0
205.09731	41.3
236.33551	0.4
239.06252	0.4
258.74625	0.4
532.42560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.8
55.01878	10.3
55.05516	31.4
57.03434	6.3
57.07063	1.2
58.70761	0.9
65.03937	3.8
66.12476	0.9
67.05511	54.5
69.03429	4.3
69.07073	15.2
70.04012	3.8
71.04971	3.6
73.06552	1.5
77.68064	1.1
79.05500	70.9
81.03429	10.7
81.07063	100.0
83.04993	19.7
83.08626	15.0
85.02916	4.4
85.06530	2.6
86.09692	1.2
90.34294	0.9
91.04898	1.7
91.05486	52.7
93.07051	57.3
95.04976	26.4
95.08613	26.6
97.02885	1.6
97.06537	8.4
97.10176	15.6
98.21458	1.2
99.00813	1.2
99.04460	2.2
99.08096	2.1
101.09591	0.9
103.05471	2.1
105.04505	3.5
105.07037	41.3
107.04969	12.3
107.08605	25.4
109.02872	2.0
109.06531	14.0
109.10160	12.5
111.04449	16.0
111.08108	8.1
113.06011	1.2
115.05453	3.2
117.07031	16.4
119.04947	1.3
119.08592	31.3
121.06506	8.1
121.10145	14.0
123.04388	1.0
123.08076	20.2
123.11665	1.6
125.05901	1.2
125.09640	14.0
127.07690	1.0
128.06226	4.0
129.07019	15.8
130.07787	1.4
131.04832	0.9
131.08582	15.0
132.05690	1.2
133.06473	3.4
133.10153	15.8
135.08058	7.0
135.11688	10.7
137.09645	6.5
141.07002	1.7
142.07784	2.5
143.08585	10.9
143.10692	1.1
145.06458	2.8
145.10138	18.5
147.08057	11.8
147.11703	23.3
149.09641	6.3
149.13335	0.9
151.11078	1.2
153.09090	2.5
153.12741	7.7
155.08574	3.6
157.06494	0.9
157.10184	4.6
159.08064	2.5
159.11708	5.2
161.09627	11.4
161.13260	7.2
163.11188	16.5
165.09079	3.6
167.08507	1.0
169.10120	2.7
171.08072	1.0
171.10286	1.7
171.11678	18.7
173.09601	3.2
173.13301	1.6
175.11180	4.4
177.12767	2.1
179.10669	1.3
181.10109	1.2
181.12236	8.4
183.11710	2.3
184.07326	3.6
185.09621	0.9
185.13231	2.6
187.11211	2.2
189.09503	1.8
189.11197	11.6
189.12773	6.1
191.10683	7.1
191.14392	1.3
193.12236	2.0
197.13283	1.7
199.11150	1.2
205.12260	1.8
207.13805	19.6
209.11752	1.4
213.12770	1.6
219.13860	1.0
223.13243	6.7
225.11111	1.3
225.14705	1.4
227.12772	19.7
227.17813	1.5
245.18956	3.6
246.03200	1.0
249.14792	2.0
255.17372	3.0
263.16547	1.7
273.18512	39.4
275.20163	1.5
279.15945	1.8
281.14291	1.8
281.17487	36.3
283.15421	3.9
291.19547	63.0
292.19818	1.1
299.14871	3.1
309.20743	1.9
327.23248	1.2
329.21091	1.5
347.22229	8.7
365.23209	16.9
401.26758	1.2
451.26959	2.6
473.28812	2.0
475.30527	1.9
479.31851	1.5
489.28458	1.3
553.35406	7.6
571.36469	35.8
589.37750	16.8
609.34424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
57.03426	0.4
63.74170	0.3
65.03947	0.5
68.04993	0.3
70.06599	8.7
70.64428	1.0
72.08160	1.2
82.04178	0.4
84.04522	1.9
84.08150	4.8
84.71977	0.4
85.02901	1.0
86.09719	1.2
87.01264	0.4
88.04006	0.8
88.92812	0.3
91.05471	0.8
94.48634	0.4
95.04917	0.4
99.52045	0.3
102.05561	0.8
105.04541	0.5
107.04948	0.4
110.03667	0.5
110.07172	1.0
129.10263	2.0
130.08543	0.4
132.05580	2.2
133.06375	0.5
135.05606	0.5
136.07597	0.8
159.09129	0.6
160.05072	100.0
167.40436	0.4
181.04935	12.7
192.07683	98.7
217.08267	0.4
300.06390	2.1
310.53918	0.4
457.60089	0.4
496.06241	0.5
595.35437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49868	0.5
55.05513	8.4
56.05030	2.9
57.05816	1.2
63.78854	0.4
65.03929	0.8
66.39071	0.4
67.05496	1.3
69.07070	6.0
70.06592	9.2
71.06909	0.4
71.52125	0.6
72.08157	100.0
73.81422	0.4
83.06641	0.5
84.04505	32.6
84.08150	5.0
85.02912	1.7
86.09708	51.5
96.04501	0.6
102.05548	24.9
103.66747	0.6
109.10149	0.8
110.07169	1.1
116.07099	1.1
118.08656	7.1
120.08124	1.2
120.50612	0.5
127.03939	0.8
129.06612	12.0
129.10243	3.4
130.05045	1.1
136.07587	1.0
138.09149	1.4
141.06635	1.4
145.10168	0.5
147.04482	0.7
148.06071	1.1
152.10725	1.2
156.10184	0.6
169.13432	0.6
170.11766	7.6
177.03349	2.0
181.04948	7.2
183.11310	12.8
183.12978	0.6
185.16505	1.1
197.12874	11.7
201.12350	11.4
208.88525	0.4
211.10802	1.0
213.16063	0.5
215.13918	53.2
225.12332	4.4
229.11848	59.3
243.13412	32.3
247.12889	10.1
259.09451	0.7
296.19714	4.1
297.18246	0.6
324.19202	14.1
324.22839	0.9
328.18579	2.8
341.11606	0.6
342.20251	13.9
346.19702	16.2
346.23685	1.0
358.16266	1.0
370.19858	1.1
372.17810	1.2
425.24075	0.7
443.25336	1.9
453.23511	3.3
471.24573	9.9
570.31427	0.8
588.32538	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	587.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95194	0.2
54.95278	0.2
55.05520	0.5
69.03446	0.3
69.39127	1.6
70.06607	2.5
72.08154	1.0
74.06093	0.3
81.07047	0.5
84.04499	0.6
84.08152	2.4
85.02904	0.3
86.09706	2.2
91.05501	0.6
93.07036	0.3
95.08620	0.5
97.02934	0.3
98.21536	0.4
102.05566	0.4
105.07035	0.3
108.02730	0.2
109.10165	0.4
110.07178	0.5
120.08103	1.1
129.10219	1.1
130.06541	0.2
133.10176	0.5
135.08054	0.3
136.07602	0.7
149.09766	0.3
149.13190	0.2
184.03574	0.4
185.04300	0.4
201.03700	0.4
202.05956	0.3
203.05284	0.7
208.20082	0.3
259.07874	1.5
280.96381	0.2
285.04562	0.3
294.37729	0.3
313.44458	0.3
331.10120	0.6
350.57031	0.3
351.21347	0.3
382.65570	0.3
407.24030	0.3
425.25217	2.1
431.18921	1.2
471.21851	0.3
489.23209	0.9
517.22504	1.0
568.56940	0.3
586.40479	0.3
586.90460	1.5
587.30450	100.0
588.31238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01877	0.5
65.03937	4.5
66.99957	0.3
67.05511	1.8
69.03422	0.7
69.07057	0.5
69.47955	0.4
69.48363	1.7
70.06572	0.9
72.08140	0.6
77.05721	0.2
77.67529	0.2
78.56288	0.2
79.05483	0.5
80.15785	0.3
82.00569	0.3
82.04185	2.0
83.06119	0.3
84.04492	0.9
84.08121	0.5
85.02907	3.6
86.09703	2.6
93.03405	1.5
95.04964	0.7
97.02887	0.6
97.06539	1.5
101.49931	0.2
108.02080	1.0
110.03660	2.2
110.07188	0.4
111.04427	1.0
114.03182	0.3
118.50327	0.3
123.00800	0.5
125.05989	1.8
136.07553	0.4
138.03108	1.2
142.02596	2.2
153.05438	1.9
171.06537	2.9
181.04953	100.0
182.05299	0.5
242.14958	0.4
261.12024	0.5
327.07254	0.4
366.70419	0.3
373.07877	1.3
449.81247	0.3
582.70300	0.3
587.82306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3045
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
55.05501	0.3
67.05520	0.3
69.03433	0.5
69.07062	0.4
69.18809	0.3
69.19209	2.4
70.06587	2.1
72.08150	0.5
81.07072	0.4
84.04517	0.7
84.08150	1.6
85.02911	0.6
86.09720	1.6
91.05507	0.5
93.07025	0.4
95.08593	0.3
101.02508	0.3
102.98733	0.3
107.20084	0.3
109.02841	0.3
120.08122	0.9
129.10272	0.9
133.10129	0.3
145.10202	0.3
185.04205	0.9
259.07974	0.4
312.24817	0.2
331.10095	0.8
425.25131	2.8
425.62222	0.3
431.18906	0.8
456.61545	0.3
489.23380	0.7
513.57721	0.3
517.22723	1.1
569.28925	0.3
587.30414	100.0
588.30652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03078	0.7
62.50863	0.6
70.41059	1.3
70.41421	1.4
91.05472	1.4
111.09281	0.7
115.05407	0.7
118.06550	15.8
119.04897	0.7
130.06464	1.4
132.08093	3.7
135.33356	0.7
142.06529	1.8
143.07280	1.7
144.04512	0.7
144.08089	13.1
146.06015	63.5
146.94400	0.8
147.04402	2.9
159.09192	6.0
163.03926	0.9
170.06052	3.7
188.07068	100.0
205.09727	46.6
375.64291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
57.07080	33.7
59.05009	0.5
67.05524	0.4
69.07069	2.2
69.72475	1.2
69.72883	1.2
69.97299	0.4
71.08637	23.8
73.06174	0.7
73.06560	7.9
73.43431	0.4
79.05503	0.6
81.07070	0.5
82.35393	0.4
83.08618	2.7
85.09666	0.8
85.10186	20.1
87.04472	6.6
89.06037	100.0
91.07587	1.2
93.07058	0.5
95.08603	0.5
97.10165	3.4
99.11742	4.1
105.07044	0.5
107.07064	1.5
109.10175	0.7
111.11743	0.8
113.13309	1.5
117.08386	0.7
117.09144	7.9
130.08641	2.5
131.07036	1.8
133.08612	54.2
135.10162	0.8
154.93173	0.5
155.17961	4.7
161.11740	2.1
173.29893	0.4
175.09705	1.4
177.11237	22.6
195.12160	0.4
199.20593	4.1
205.15939	0.5
221.13817	5.3
223.15460	0.4
239.14908	1.0
240.23244	0.9
243.23219	12.0
265.16388	1.6
280.37021	0.4
283.17474	1.5
287.25815	8.0
291.34827	0.4
309.18918	1.2
327.20096	1.5
331.28296	0.6
348.58307	0.4
353.21637	0.4
355.41571	0.5
371.22607	1.1
397.24069	0.5
415.25430	5.2
437.34543	0.6
481.37161	1.3
525.39691	1.5
569.42676	13.8
586.45178	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	585.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01870	0.4
59.69598	0.2
65.03616	0.3
65.03946	5.9
67.05506	2.2
68.99780	0.2
69.03432	1.1
70.06608	1.5
70.06941	0.3
70.97697	0.4
72.08163	0.5
79.05506	0.4
81.03432	0.3
82.04205	2.7
84.04502	0.4
84.08163	1.2
85.02907	4.4
86.09689	0.9
91.05492	0.4
93.03426	1.3
95.04965	0.9
96.45799	0.2
97.02883	0.5
97.06535	1.4
102.43196	0.2
108.02106	1.4
110.03680	2.9
110.56834	0.2
111.04469	1.0
115.73098	0.2
120.08128	0.3
121.96167	0.3
123.00794	0.6
124.05263	0.2
125.05986	2.0
129.10234	0.5
136.07567	0.3
138.03104	1.7
141.01906	0.2
142.02620	2.6
152.48116	0.2
153.05482	1.2
157.05019	0.2
170.02077	0.3
171.06544	2.9
177.02417	0.2
181.04967	100.0
182.05408	0.5
184.61334	0.2
320.78613	0.2
341.08765	0.6
387.08978	0.5
559.67169	0.2
567.13177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.7
56.33048	0.6
57.07082	32.5
69.07068	3.2
70.06595	1.2
71.08638	30.2
73.06563	7.6
75.81184	0.5
77.21239	0.4
79.05504	0.9
81.07065	1.2
83.08633	4.0
85.10193	18.6
87.04468	5.3
89.06039	100.0
91.05486	0.9
91.07586	0.8
93.07060	1.1
95.08632	1.1
97.10160	5.5
98.21513	1.5
99.11744	2.9
105.07050	0.8
107.07099	1.7
107.08608	0.6
109.10181	0.9
109.58351	0.5
111.11735	3.8
113.13310	1.8
117.09135	5.1
119.08593	0.9
121.10146	1.0
125.13280	1.2
127.14861	1.8
130.08646	3.0
131.07085	1.5
133.08617	51.7
135.10133	0.8
135.11734	0.6
135.64313	0.4
139.14810	0.6
141.16388	1.1
142.07727	0.5
145.10173	1.1
155.17960	0.6
157.10196	0.6
161.11781	1.5
177.11237	22.4
183.11684	0.6
197.22644	3.2
221.13814	5.6
229.57524	0.5
239.14920	0.9
241.25389	2.5
265.16556	1.6
283.17645	2.0
285.27908	9.9
309.19177	1.0
311.29559	0.8
327.20230	2.1
329.30524	5.7
371.22833	10.5
432.54071	0.6
474.97263	0.5
479.39603	1.3
523.41919	1.1
567.44678	16.0
584.47125	3.5
584.56317	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2757
Annotation	N1,N5,N10-Tricoumaroyl spermidine
Peak:m/z	Relative Intensity
58.06595	0.4
63.90550	0.2
65.03929	1.3
70.06593	0.2
70.42713	0.4
70.43066	0.3
72.08157	5.6
77.04393	0.2
80.61719	0.2
84.08138	1.0
85.96548	0.2
91.05484	7.6
91.98359	0.2
110.09663	0.4
112.11252	2.8
113.07131	0.2
116.69337	0.2
119.04943	20.0
129.13893	1.3
134.88031	0.2
146.16537	0.5
147.04410	100.0
155.11781	1.2
172.14467	0.5
203.11786	3.5
204.10201	45.3
217.13354	2.1
218.11766	5.4
218.13861	0.4
221.12904	1.1
224.30141	0.3
274.19177	0.7
275.17535	9.5
292.20178	8.9
308.00204	0.2
318.18033	1.3
420.22824	25.3
421.21152	1.7
438.23883	58.1
439.24051	0.5
458.46631	0.2
464.21796	0.3
494.48209	0.2
584.27618	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	584.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
55.05510	2.7
56.05029	0.8
58.06318	0.5
58.06601	10.6
59.07385	11.6
60.07893	0.7
60.08169	9.7
67.05492	1.5
69.03442	1.0
69.07059	0.9
70.06583	2.1
71.00850	0.4
71.07389	3.6
72.08134	0.8
72.77338	0.5
73.12678	0.5
79.05498	1.2
81.03410	1.4
81.07049	1.5
83.04972	4.0
84.04449	0.8
84.05293	0.7
84.08141	1.4
84.51830	0.5
85.02932	0.7
86.09712	35.7
90.75613	0.5
91.05480	2.8
93.07056	1.5
95.04974	1.2
95.08622	0.9
97.02875	0.7
97.06507	0.5
98.98469	2.1
104.10751	77.9
105.07031	2.0
106.07417	0.5
107.04974	0.8
107.08592	1.3
109.06463	0.9
109.10138	0.9
110.07199	0.7
117.07008	1.1
119.04943	1.0
119.08582	1.1
119.70004	0.5
121.06517	0.7
121.10162	0.7
123.08051	0.6
125.00008	19.7
129.05499	1.2
130.07372	0.5
131.08592	1.0
133.10132	1.6
135.07988	0.5
143.08530	1.2
145.06479	0.8
145.10124	0.7
147.04413	4.1
147.08113	2.5
148.08453	1.0
149.09705	0.6
157.10089	1.4
159.08073	1.1
159.11716	0.9
160.12198	0.5
161.09645	1.9
162.10010	0.6
171.11694	1.2
172.12004	0.8
173.09625	1.0
175.11159	0.6
183.11743	0.7
184.07353	100.0
185.09648	0.8
185.13336	1.1
189.11086	0.5
195.11691	0.5
199.11162	1.1
200.11510	0.9
203.10670	0.5
204.10252	1.8
210.08900	1.2
211.11124	0.7
212.19008	0.5
213.12907	1.4
214.13115	0.7
222.08904	4.1
226.08553	2.0
229.12241	0.6
231.13945	0.6
238.08501	1.4
238.33434	0.5
239.09157	0.7
256.09451	5.5
258.10815	0.7
259.13449	0.7
275.17709	0.5
299.11365	2.5
312.11990	3.4
325.11694	0.5
328.17938	0.8
331.10181	3.1
340.15308	0.7
388.20166	1.4
405.20807	0.8
406.20944	2.7
412.21057	1.2
415.19699	0.7
420.22858	1.1
424.22015	1.2
438.23938	2.3
466.25461	1.8
484.24265	0.8
516.31012	0.8
534.32214	2.0
548.34125	0.6
550.31354	1.5
552.33154	1.0
566.30658	3.4
584.32263	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	584.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05511	1.2
56.05037	1.6
57.03423	0.6
58.06609	1.7
60.08168	16.6
67.05511	2.8
67.79548	0.4
69.03459	0.4
69.07060	1.3
69.25291	3.5
70.06592	1.0
71.07382	6.0
72.08151	0.4
79.05499	2.0
81.03410	0.9
81.07042	2.5
83.04971	0.4
83.08621	0.8
84.08155	0.5
85.02892	0.8
86.09712	52.3
91.05489	2.0
92.05796	0.5
93.07038	2.5
95.04990	0.5
95.08611	1.1
98.98471	3.9
104.10752	100.0
105.07047	1.5
107.04988	0.6
107.08604	1.1
109.06535	0.6
109.10175	1.0
117.06996	0.6
119.04937	0.4
119.08608	0.8
121.10162	0.8
123.04440	0.4
123.08101	1.1
125.00014	28.1
125.09595	0.5
131.08601	0.6
133.10146	1.1
134.10390	0.4
135.08022	0.4
137.09656	0.5
145.10129	0.4
147.04448	0.7
147.11711	0.9
149.09596	0.7
159.11696	0.7
163.01537	0.5
184.07356	82.3
187.11130	0.5
190.24448	0.4
196.75699	0.4
237.11723	0.4
258.11023	1.0
275.20035	0.6
299.28757	0.4
305.26178	0.4
350.24139	0.8
386.21927	1.1
530.28754	1.6
566.26331	7.2
578.68341	0.4
584.27484	39.6
585.27051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98991	0.2
55.05532	0.4
56.05038	0.9
58.06612	0.4
60.08166	6.5
67.05503	0.6
69.07069	0.3
70.06596	0.7
71.07378	3.5
71.52459	0.2
72.08148	0.4
77.44859	0.2
79.05505	0.4
81.03436	0.4
81.07059	0.5
85.02917	0.3
86.09710	32.1
91.05476	0.5
93.07024	0.3
95.08623	0.5
97.06557	0.2
98.98476	2.8
99.72395	0.2
104.10750	2.7
105.07074	0.5
109.10181	0.5
119.08575	0.4
125.00013	21.1
131.08542	0.3
133.10170	0.3
147.04431	1.0
147.15741	0.2
173.30211	0.3
184.07349	100.0
204.10205	0.5
420.22556	0.3
438.23718	0.5
566.26105	0.9
584.27435	7.0
585.26410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01876	1.5
55.05519	6.4
57.03445	0.8
57.07065	2.2
59.04987	1.2
59.23120	0.6
59.68763	0.7
65.03930	1.1
65.74409	0.6
67.05506	25.3
69.03423	2.3
69.07069	14.6
69.29992	5.9
70.54046	0.7
71.05000	6.6
79.05493	9.1
81.03413	1.1
81.07058	17.2
83.04958	1.5
83.08614	3.6
85.06544	4.4
91.05484	12.6
93.07043	14.8
95.04971	9.6
95.08606	10.6
97.06542	3.6
98.20681	1.3
103.05473	1.5
105.06400	1.3
105.07039	18.4
107.04960	1.6
107.08597	16.0
107.09307	1.1
109.06538	7.3
109.10157	100.0
111.08071	1.2
115.05457	1.0
117.07001	4.3
119.08575	20.1
121.06506	4.7
121.10139	11.5
123.08077	5.6
123.11725	3.8
125.05976	1.0
127.11208	10.3
128.06245	2.2
129.07008	4.3
130.07794	1.7
131.08586	8.8
133.06476	1.7
133.10138	9.6
135.08047	13.3
135.09003	1.1
135.11726	4.1
137.09608	3.3
137.13225	0.9
139.11150	0.9
141.07002	1.9
142.07762	5.0
143.08559	10.3
144.09319	1.5
145.06470	1.0
145.10120	16.8
147.08051	4.5
147.11693	5.7
148.08806	0.7
149.09621	5.2
151.07614	3.6
151.11229	0.9
154.07846	0.8
155.08568	4.4
156.09334	4.5
157.10138	12.7
158.10886	1.2
159.08064	4.7
159.11673	7.3
161.09691	3.5
161.13277	2.9
163.11185	3.5
163.14880	2.0
165.07005	2.0
165.09079	3.3
165.12825	1.4
166.07784	0.8
167.08612	2.0
168.09286	1.1
169.10127	9.2
170.10915	1.4
171.08087	1.0
171.11693	8.1
172.08859	0.8
173.09651	2.9
173.11894	0.8
173.13242	3.2
175.11229	2.0
175.14851	2.5
176.12007	0.9
177.12782	2.4
179.08586	2.1
179.14395	1.4
180.09393	1.0
181.10117	5.2
181.12367	0.8
182.10963	2.2
183.11697	8.0
184.12526	1.6
185.09682	1.4
185.13272	3.1
186.10378	0.7
187.11229	1.5
187.14850	2.3
189.12807	1.7
191.14334	10.2
193.10153	2.8
193.12041	0.7
193.15961	1.1
194.10941	1.7
195.11641	5.2
196.12460	1.3
197.09595	0.7
197.13274	4.8
199.11217	2.6
199.14946	1.1
201.12759	1.3
201.16406	0.8
203.14355	2.5
204.09428	0.8
205.10132	0.8
205.15878	15.1
206.11006	1.4
207.11752	2.8
207.13837	2.0
208.12437	1.4
209.09645	0.8
209.13255	6.9
209.15152	1.0
210.13803	0.9
211.11342	1.7
211.14825	3.4
213.12785	2.4
213.16228	1.2
217.15884	2.0
219.11713	1.5
220.12614	1.5
221.13254	3.6
221.15424	12.8
223.11099	0.9
223.14915	2.4
225.12793	1.5
225.16429	2.2
227.14435	1.7
231.11703	0.8
233.13283	1.7
235.14799	2.5
237.12801	1.0
237.16377	1.1
246.14122	1.0
247.14825	1.4
247.17021	0.9
249.12717	1.1
249.16678	1.3
259.14819	0.7
263.18021	1.2
265.19418	1.0
267.17474	1.3
269.19119	1.6
270.19849	1.0
271.20633	1.7
281.19122	1.0
283.20596	1.6
287.20270	1.2
293.18854	0.9
296.21469	0.7
299.20050	1.2
321.22165	1.3
333.22116	1.0
335.23679	1.0
348.24524	0.9
373.25317	1.2
375.26886	0.8
391.26385	1.3
425.30518	2.1
477.33643	2.7
491.35223	57.2
504.35751	0.8
565.40356	1.5
583.41455	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60219	0.2
55.05506	0.6
63.84906	0.2
67.05499	1.4
69.03433	0.4
69.07056	0.5
69.23166	0.4
69.23573	1.8
70.06590	1.0
72.08181	0.3
79.05498	0.8
81.03425	1.3
81.07048	0.8
83.04980	0.7
84.08150	0.5
85.02890	0.3
86.09680	0.4
91.05492	0.7
93.07044	0.4
95.04967	0.4
96.01839	0.2
97.02926	0.3
98.35149	0.2
105.07011	0.3
107.08588	0.5
109.02885	0.3
109.06573	0.3
109.10170	0.8
111.08057	0.4
112.08713	0.2
117.07012	0.2
119.08601	0.5
121.10118	0.3
129.10268	0.5
131.08549	0.3
133.10184	0.3
135.08084	0.3
143.08597	0.2
145.10077	0.3
147.08054	0.5
147.11742	0.3
157.04739	0.6
157.10107	0.3
161.09590	0.4
173.11697	0.3
184.03342	0.3
185.04222	2.3
193.12257	0.4
201.03722	1.0
211.13300	0.3
259.07977	0.5
275.07379	0.7
280.02359	0.2
331.09955	3.2
331.13544	0.3
345.11661	0.6
347.16891	0.3
359.13120	0.4
361.78430	0.2
373.14374	0.3
387.16260	2.8
401.17972	0.8
405.20731	0.5
420.28339	0.2
421.22040	1.5
429.17581	0.3
455.18658	0.2
457.20428	2.4
469.20615	0.7
485.19785	1.9
497.20074	2.2
513.19208	1.3
514.20313	0.9
583.27234	100.0
584.26904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.273
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03247	0.3
65.03920	0.4
67.05464	1.1
69.07026	0.6
70.06552	1.4
71.52528	0.7
72.08132	0.5
79.05463	0.8
81.03374	0.6
81.07009	0.9
83.01027	0.4
83.04945	0.5
83.08604	0.4
84.04472	0.4
84.08098	0.9
85.02904	0.5
85.06455	0.3
86.09668	0.9
91.05454	0.8
93.07020	0.6
94.06541	0.8
95.01072	0.5
95.04939	0.4
95.08555	0.4
104.10716	0.5
105.06983	0.5
106.06583	0.4
107.04958	0.4
107.08561	0.7
108.04504	0.6
109.06470	0.6
110.05997	0.6
119.08557	0.4
120.08090	0.7
121.10134	0.5
122.06036	1.7
131.08563	0.4
133.10071	0.6
134.06027	1.6
136.07565	1.3
138.05464	0.8
138.09102	1.1
146.06027	1.5
148.07576	3.2
152.07083	0.7
157.04614	0.3
157.09964	0.4
164.07133	0.5
166.04973	1.2
174.09128	1.5
180.06503	0.6
184.07370	1.1
185.04161	0.9
185.08298	1.3
195.09172	0.8
196.09886	0.7
197.10706	1.4
198.11522	0.8
199.08556	0.4
199.12286	0.6
201.03691	0.7
203.05244	1.5
206.08260	0.4
209.10681	1.8
210.11513	5.5
211.08733	0.8
211.12280	2.2
212.10745	1.0
213.10101	0.4
213.13760	0.7
214.10722	0.6
214.12469	0.7
222.07774	0.4
223.08636	0.5
223.12250	0.5
224.09480	0.7
224.13138	1.0
225.10213	3.1
225.13887	0.4
226.11008	1.9
227.11761	0.7
229.13373	0.7
237.10237	2.8
237.68593	0.4
238.10875	1.6
239.08243	1.5
239.11794	8.4
240.10231	0.7
240.12523	1.2
241.13377	0.9
242.10449	1.1
243.11279	1.5
244.09828	0.4
250.07144	0.4
251.11818	1.2
252.12631	1.6
253.09798	1.1
253.13309	1.5
255.11246	1.1
257.09305	0.6
257.12802	2.0
259.08047	1.9
259.14496	0.7
265.09747	1.9
269.12875	7.1
270.09973	0.6
271.10843	2.5
272.11584	2.6
279.11404	0.8
280.12073	8.1
281.12930	1.8
283.10941	1.6
283.14105	0.4
285.12357	6.7
297.12402	1.2
298.09503	1.3
298.12756	0.7
299.13913	6.6
301.11859	3.4
301.15115	0.8
303.13498	0.9
307.10757	0.3
310.09595	0.6
313.11847	2.7
315.13510	0.6
325.11841	42.6
331.09970	1.9
343.13223	0.3
387.16330	2.5
418.17599	1.1
421.22079	1.1
422.20972	0.8
430.17706	0.5
436.18967	0.5
455.18951	0.4
457.20480	2.2
469.20432	0.7
485.20093	1.5
497.20059	1.8
513.19336	0.7
514.20416	0.4
528.93896	0.4
541.24695	0.5
555.25885	1.8
583.26935	100.0
584.27454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01860	0.5
55.05495	1.4
56.71792	0.3
57.03432	0.4
63.26763	0.3
65.03944	0.4
67.05507	3.6
69.03422	0.9
69.07059	1.0
69.17764	2.1
69.18188	1.3
71.04951	0.3
72.87269	0.3
79.05482	1.6
81.03419	2.1
81.07056	2.3
82.06377	0.4
83.04955	0.5
83.08598	1.0
90.17709	0.4
91.05461	1.6
93.07051	1.9
94.06521	0.4
95.04950	0.9
95.08595	1.5
97.02888	0.6
97.06560	0.5
97.10171	0.9
97.65293	0.3
105.07012	1.4
106.06551	0.7
107.08592	0.8
109.05750	0.4
109.06496	0.7
109.10133	2.0
111.08049	0.5
118.06508	0.4
119.08591	0.9
120.08105	0.7
121.07677	0.3
121.10104	0.4
122.06052	0.4
123.04439	0.4
125.09661	0.9
131.08560	1.2
133.10081	0.6
134.44922	0.3
143.08502	0.5
145.10109	0.7
147.11702	0.5
149.09630	0.4
157.10162	0.6
159.11618	0.4
168.08171	0.5
170.09595	0.4
173.11728	0.5
182.09692	1.0
183.09160	0.6
183.11649	0.4
194.08266	0.7
195.09154	2.4
195.18414	0.3
196.09952	1.3
197.07053	0.6
197.10725	0.9
198.11539	0.4
199.12285	0.9
204.08963	0.6
208.09923	0.6
209.10760	13.7
209.12767	0.7
210.09409	0.7
210.11513	8.0
211.08661	1.4
211.12024	0.4
212.09351	0.7
212.13019	0.4
213.10243	0.6
223.08691	0.7
223.12297	1.6
224.13023	0.5
225.10278	4.2
225.13826	0.5
226.11008	1.3
227.11737	2.7
229.14232	0.6
235.08717	0.5
236.09416	0.5
237.10223	7.4
238.10994	7.9
239.11781	2.3
240.12550	1.1
241.13216	0.6
251.11818	2.7
252.12440	1.1
253.09752	0.9
253.13416	2.6
254.10570	0.8
255.11362	1.1
257.12808	0.6
267.11319	0.8
269.12869	8.1
271.10773	2.6
271.14496	0.9
279.11304	2.8
281.12799	0.6
283.10803	1.2
284.11688	0.8
285.12350	1.5
286.13245	0.5
297.12350	81.3
298.12686	1.0
299.13947	5.5
300.11914	0.4
314.12878	0.5
315.13705	0.6
316.14407	1.0
328.14462	0.9
329.15240	0.5
330.15970	1.6
342.16266	0.5
343.16602	0.6
344.17715	0.5
355.17422	0.5
370.15643	0.4
388.16272	0.6
392.17407	0.6
400.17194	0.4
402.17886	0.4
406.19214	0.6
407.18735	0.8
419.14813	0.5
420.15790	0.8
420.20874	0.5
421.16718	1.3
421.25916	0.7
422.21222	0.4
433.16632	0.8
434.17636	1.0
435.18134	1.5
436.18655	1.2
437.20264	0.6
439.26834	0.5
448.19800	0.8
449.19623	1.8
450.20392	1.0
451.21246	1.5
454.23996	0.4
463.21484	0.6
465.22952	2.1
495.20462	1.0
506.23123	0.6
509.21960	0.6
522.23920	0.4
523.23346	1.1
524.23859	0.7
539.26514	1.2
548.72308	0.4
555.25769	0.4
565.24121	0.8
566.23596	0.5
583.25391	100.0
584.25732	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	583.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03427	0.4
63.62206	0.5
67.05518	2.8
69.03419	0.8
69.07079	0.8
69.26530	3.7
71.95992	0.4
79.05508	2.9
79.51649	0.3
81.03403	2.0
81.07061	3.4
83.04971	0.9
83.08644	0.7
86.46447	0.4
91.05486	2.5
93.07044	1.7
95.04943	0.6
95.08614	1.3
97.06511	0.7
98.21561	1.0
105.07031	1.8
106.06596	0.5
107.08592	1.0
109.06510	0.8
109.10159	1.8
111.08042	0.5
117.33397	0.4
119.08573	1.2
121.10094	0.9
125.09611	0.6
127.03822	0.5
129.07025	1.0
131.08598	1.0
133.10117	0.5
135.08154	0.4
137.09694	0.4
143.08524	0.7
145.10101	0.8
147.11676	0.6
157.08958	0.5
158.09641	0.7
159.09195	0.5
159.11624	0.9
171.10471	0.6
172.11266	0.5
183.09093	0.4
185.13321	0.4
193.12273	0.5
197.10805	0.9
203.09538	0.6
204.10242	1.0
209.10796	0.7
213.10178	1.2
216.10240	2.5
217.10985	0.9
221.10674	0.5
223.08606	0.4
223.12259	1.2
225.10272	0.4
227.12059	0.4
230.11722	2.7
235.12404	1.1
236.09567	0.5
236.11739	0.5
242.10426	0.5
245.10448	2.5
246.11263	1.1
249.10223	0.5
251.11871	3.6
252.14986	0.9
255.11357	0.5
258.11322	1.2
259.10654	0.9
260.11749	0.4
260.12732	0.4
262.13684	0.5
263.11530	0.5
264.11395	0.8
265.12146	1.7
275.20132	0.8
276.12326	1.4
278.12976	1.5
280.14441	8.1
283.10672	0.5
286.10663	0.6
289.13605	0.6
292.14499	1.1
293.15527	0.7
296.13980	1.6
300.14896	0.8
301.11801	2.0
304.11798	12.2
304.15189	0.7
306.16107	3.6
307.16919	1.4
313.12302	0.6
314.12939	1.2
315.13766	0.8
319.12808	3.1
326.13162	0.8
327.13721	1.3
328.14505	2.2
329.15460	0.6
330.15930	1.1
340.14417	1.5
342.16040	2.8
343.12930	2.7
343.16910	1.0
344.17685	1.0
356.17612	3.6
358.15454	0.6
359.16623	0.8
366.15787	0.6
372.13370	1.0
373.14178	1.4
374.14896	4.9
374.18555	0.7
386.14966	1.1
387.15924	2.3
388.16315	0.5
390.16400	0.4
402.18201	7.8
403.18811	1.2
407.18793	0.9
421.16031	0.6
421.20877	0.6
435.18231	1.8
436.19052	1.6
449.19562	1.7
450.20313	0.7
481.22446	2.9
494.19305	0.6
495.19928	1.2
506.20581	0.8
507.20761	1.0
508.21213	0.9
509.21692	3.0
510.22351	0.8
511.26682	0.5
521.25122	0.6
523.23596	1.0
524.23743	0.6
553.20673	1.0
565.24542	1.5
566.22772	1.2
568.22864	4.0
583.25458	100.0
584.25952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01868	6.0
55.05514	16.3
55.16462	2.8
57.03441	13.0
59.04984	3.2
60.04527	3.5
61.02922	5.9
67.05502	72.2
68.05033	3.6
69.03411	3.3
69.07073	23.9
69.85445	5.0
69.85842	11.2
70.06596	25.0
71.04983	7.8
72.08147	6.2
73.02890	3.0
79.05499	35.5
81.03410	6.6
81.07060	64.7
83.04987	6.4
83.08617	22.1
84.04504	6.8
84.08148	20.0
85.02898	8.4
85.04806	2.5
85.06541	4.4
86.06069	4.3
86.09697	19.0
91.05477	25.9
93.07044	42.0
95.04961	6.6
95.08604	28.6
97.02873	6.3
97.06543	17.2
97.10173	8.7
99.04434	2.8
99.08098	4.4
99.66748	2.5
103.03931	3.0
105.07034	25.9
106.07827	3.1
107.04926	6.9
107.08588	35.3
109.02895	3.9
109.06511	6.3
109.10166	47.3
109.95325	2.4
110.07150	5.4
111.08065	6.1
117.07040	10.1
119.08580	20.7
120.08104	8.3
121.06501	4.2
121.10150	15.3
122.05990	7.0
123.08102	3.3
123.11644	3.5
125.00003	7.3
125.09605	5.9
127.03885	5.2
129.10228	10.1
131.08557	10.6
133.10150	20.8
135.08046	7.6
135.11688	10.0
136.07509	5.8
137.06000	3.4
143.08450	2.8
145.10092	8.8
147.11697	9.7
149.09627	9.2
149.13254	16.1
151.11127	3.0
155.08516	4.1
155.10689	5.6
157.10138	6.2
159.11681	24.6
161.09627	4.4
161.13309	6.9
163.11140	5.4
169.10121	3.9
171.11635	3.8
173.11734	16.8
173.13231	6.1
174.18523	12.3
177.05447	3.2
177.12775	16.8
179.14287	5.1
184.07350	26.9
195.13852	7.1
197.13351	4.1
201.12378	2.6
227.12846	4.6
229.12143	6.8
229.14330	67.0
229.19478	3.3
233.30113	2.9
239.17952	4.5
245.13866	3.5
247.15491	5.1
251.16513	4.5
257.18970	8.6
269.17499	100.0
275.20078	32.7
293.21161	4.4
309.20737	5.5
334.23767	2.9
349.23761	89.6
367.20386	5.5
367.24774	78.8
391.19739	6.4
413.21494	5.6
431.22720	4.4
509.21127	3.4
511.28665	4.5
564.23273	3.4
582.24042	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	582.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
53.99332	1.4
55.01883	7.3
55.02083	1.4
55.05276	1.3
55.05519	20.1
57.03443	14.0
57.07077	1.8
59.04984	3.3
60.04515	2.2
61.02910	4.1
65.03921	1.8
67.05513	84.5
69.03425	4.1
69.06730	2.1
69.07072	22.8
70.06306	1.2
70.06599	12.3
70.84989	3.3
71.04980	6.5
72.08145	4.5
73.02897	1.6
79.05499	40.4
81.03409	5.6
81.07066	78.5
83.04997	6.7
83.08624	20.5
84.04504	2.4
84.08147	9.4
85.02913	6.7
85.06540	5.3
86.09708	11.6
91.05491	31.2
93.07054	50.4
95.04975	8.7
95.08617	36.1
97.02892	4.3
97.06556	13.3
97.10176	9.6
99.04473	2.6
99.08091	3.5
99.09158	1.3
102.05531	1.6
103.03928	2.7
103.05489	1.5
104.10743	3.1
105.07043	25.2
107.04971	9.1
107.08614	38.2
109.02845	1.9
109.06531	10.9
109.10168	60.7
110.07168	2.3
111.04471	1.4
111.08105	9.3
113.07141	1.5
117.07038	11.9
119.08591	20.7
120.08112	2.9
121.06501	5.7
121.10143	15.8
123.08077	3.6
123.11695	4.1
125.00026	2.7
125.09660	7.7
127.03928	2.5
129.07011	2.6
129.10225	6.3
131.08585	17.2
133.10146	25.3
135.08047	9.3
135.11702	12.5
136.07573	2.8
137.09633	4.5
139.07555	2.4
139.11218	1.7
141.06924	1.5
143.08626	1.9
144.62093	1.7
145.10132	16.3
147.04375	3.5
147.08037	1.7
147.11734	13.2
149.09647	10.6
149.13260	19.6
150.40475	1.5
151.11134	2.6
155.08522	1.7
155.10655	6.1
157.08736	1.4
157.10045	3.6
159.11720	23.2
161.09634	1.5
161.13359	6.9
163.11169	5.7
165.12779	2.5
169.10133	3.1
171.11624	2.9
173.11736	25.0
173.13271	8.3
175.11214	2.7
177.12758	21.6
179.14328	9.6
183.11667	2.1
184.07350	6.2
185.13231	1.5
186.74362	1.4
189.11270	3.0
191.14377	1.6
195.13875	7.0
197.13287	3.2
201.12744	1.5
213.14857	2.2
215.14116	1.4
227.12794	6.2
229.14375	92.5
233.15302	2.4
239.17929	4.1
247.20497	2.9
251.16429	4.7
251.31657	1.4
257.19083	9.2
269.17502	100.0
275.20099	43.1
275.22519	1.0
275.23126	1.9
293.21060	6.0
307.89020	1.4
309.20612	4.8
331.22849	2.1
349.23770	78.8
367.24838	49.3
405.45334	1.6
413.21521	4.0
436.22531	1.8
463.04776	1.7
511.29089	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	582.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01869	8.0
55.05512	24.0
57.03426	4.8
57.07065	3.2
60.08168	4.3
61.02934	3.3
67.05505	23.3
69.03416	7.0
69.07072	8.0
70.06600	15.0
70.70362	4.5
70.70708	2.4
71.04990	3.1
71.08629	9.4
72.08148	5.2
78.15726	2.0
79.05486	20.8
81.03419	7.9
81.07073	19.5
83.04976	7.8
83.08617	18.9
84.04470	2.1
84.08135	8.4
85.02901	7.6
85.06523	3.3
86.09699	15.9
91.05462	10.9
93.07043	16.3
95.04977	23.4
95.08608	8.8
96.04585	2.1
97.02863	4.9
97.06537	6.7
97.10164	19.3
98.21529	2.4
99.08092	9.1
104.10768	15.1
105.07019	5.9
107.04948	7.7
107.08600	15.7
109.06533	2.3
109.10159	9.6
111.04428	10.4
111.08099	5.7
117.06988	4.2
119.08602	11.0
120.08154	2.8
121.06495	2.7
121.10128	9.1
123.08075	6.1
123.11698	2.1
123.29887	2.5
124.99997	5.9
125.09621	21.5
127.03854	2.8
127.46354	2.1
131.08575	5.9
133.10126	9.2
135.08093	5.1
135.11696	8.9
136.07582	3.8
143.08566	2.3
145.10075	8.2
147.11664	4.3
149.09627	9.3
149.13255	2.9
151.07527	2.2
153.09065	6.6
159.11714	4.1
159.51457	2.8
163.11159	24.5
165.12749	4.7
167.10670	2.3
173.09599	2.5
175.11121	3.1
177.12796	4.9
181.12196	3.6
184.07379	23.0
187.11133	2.6
189.11224	9.8
191.10657	2.1
193.12178	3.1
195.13771	5.1
223.13252	5.6
227.12837	10.3
245.13916	3.2
257.19034	3.9
275.20062	24.3
293.21097	61.9
297.33304	2.5
311.22308	3.5
325.11649	3.2
349.23724	7.1
367.24771	100.0
385.25842	51.2
491.71970	2.1
505.90613	2.0
582.33655	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	582.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61028	2.3
79.05499	0.4
79.11526	0.3
82.13679	0.4
89.03931	1.0
91.05464	3.3
93.07014	0.5
98.20784	0.5
103.05468	2.7
117.03405	1.6
117.05777	1.7
118.06569	4.0
119.04976	0.5
119.07323	1.0
120.08088	3.3
126.60750	0.4
128.04947	0.5
131.04958	0.4
135.04439	3.6
145.02852	2.4
146.06020	72.2
146.78264	0.4
147.04408	2.8
151.03986	0.7
163.02791	0.4
163.03915	24.2
164.07079	100.0
165.07591	0.4
175.03909	0.5
192.06569	16.2
193.04974	0.7
205.63094	0.4
208.22676	0.5
210.07631	79.6
223.00742	0.4
500.48666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.05508	14.5
57.07079	9.0
58.45903	3.8
59.04996	9.5
64.79828	3.8
65.03937	4.5
67.05501	25.3
69.03439	3.6
69.07066	19.8
71.26244	5.1
73.06548	6.8
74.09711	6.3
75.04486	3.8
79.05502	29.3
81.07057	47.1
83.08614	12.3
85.06557	22.4
91.05482	39.6
93.07042	67.2
95.04958	6.8
95.08606	44.1
97.06508	5.7
99.08108	3.6
105.07034	73.4
105.07703	7.0
107.08593	71.5
109.06532	6.8
109.10149	39.8
111.08099	9.5
115.05434	7.9
117.07022	14.7
119.08584	82.0
121.10134	63.2
123.08057	14.2
123.11697	20.9
125.09635	7.5
128.06206	6.7
129.06990	8.9
130.07863	3.6
131.08575	39.8
133.10146	59.7
135.08012	9.0
135.11693	46.6
136.95154	3.4
137.09622	14.4
139.11157	3.3
141.06894	4.2
142.07744	16.3
143.08594	28.1
144.09366	4.6
145.10127	64.5
147.08031	4.9
147.11685	24.8
149.09645	9.1
149.13269	4.8
151.11177	11.1
153.12746	7.8
153.50583	3.7
155.08600	10.6
156.09352	9.9
157.10117	47.9
158.10869	7.0
159.11732	31.4
161.09581	5.2
161.13263	8.7
164.51149	3.7
165.12762	12.5
167.08585	7.3
168.09303	6.8
169.10110	27.0
170.10933	6.0
171.11691	28.1
173.13246	26.0
175.11183	6.7
175.14790	32.7
179.08643	9.4
179.14340	3.5
180.09297	3.7
181.10089	16.9
182.10925	5.3
183.11676	23.5
185.13280	17.2
187.11143	4.0
187.14816	14.3
189.12852	4.0
189.16362	4.7
193.10194	12.2
194.10913	9.8
195.11681	23.1
196.12421	7.6
197.13245	20.0
197.14803	3.6
199.11188	4.3
199.14832	11.1
201.12840	3.8
201.16422	9.5
203.14352	5.7
205.10173	3.3
205.15941	16.4
206.10928	7.4
207.11800	18.4
208.12480	5.7
209.13286	24.3
211.14841	14.5
213.16423	6.8
219.11723	9.7
219.17453	8.3
220.12579	5.6
221.13200	18.0
222.14113	4.0
223.14838	15.5
225.12968	4.1
225.16374	8.5
231.11734	6.9
231.17458	4.5
232.12199	4.0
233.13232	9.5
235.14787	14.6
237.16412	11.1
239.14259	4.2
239.17863	7.9
244.12546	3.3
245.13280	9.2
246.13869	3.7
247.14825	9.6
249.16402	8.1
251.18048	4.1
253.16133	3.6
253.19435	5.3
257.13382	4.8
259.14911	10.6
261.16312	10.6
263.17960	6.6
265.15811	5.1
265.19516	5.9
271.20627	4.7
273.16162	4.9
275.17770	5.8
277.19534	5.1
282.27988	6.7
283.20505	5.8
285.16446	5.1
287.17828	8.2
291.20914	5.3
293.19107	5.5
297.22260	5.2
301.19467	4.5
309.22244	4.0
329.22638	4.0
330.93622	4.1
331.24118	5.9
349.25345	3.7
355.24219	4.3
395.27289	3.6
427.30115	5.1
429.31445	20.3
459.32773	6.8
489.37280	10.3
514.79254	3.5
531.39935	6.8
549.41113	40.6
563.42175	5.6
581.43689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01872	1.3
55.05518	15.1
57.07074	3.7
59.05005	6.0
67.05516	15.7
69.03448	2.4
69.07068	18.6
71.04991	3.6
73.06563	1.7
76.66460	1.3
78.04723	1.2
79.05504	19.7
79.69651	1.1
81.07065	31.6
83.04998	3.3
83.08630	8.4
85.06545	22.3
85.07017	1.6
91.05487	25.5
92.76425	1.3
93.07050	30.4
94.62588	1.2
95.04984	8.2
95.08617	29.3
95.56132	1.3
97.06571	2.0
98.20815	3.6
98.41967	1.1
103.05476	1.7
105.07042	42.3
106.07795	1.4
107.08603	29.1
109.06553	8.5
109.10174	14.5
111.08120	5.0
115.05470	3.5
116.06273	1.8
117.06998	8.6
119.08593	51.0
121.06528	6.2
121.10153	38.8
122.07272	1.7
123.08110	9.6
123.11713	13.2
125.09637	3.2
128.06290	4.2
129.07031	6.7
130.07869	3.5
131.08580	20.7
133.10143	30.5
135.08061	27.2
135.11694	13.6
136.08876	1.3
137.09633	6.1
137.13326	1.5
139.11180	3.0
141.07033	3.2
142.07799	8.5
143.08559	20.6
143.09564	1.7
144.09402	4.9
145.10130	36.1
147.08104	4.7
147.11694	15.7
147.12627	1.3
149.09639	15.0
149.13342	2.6
151.11212	8.0
153.07054	1.3
153.12752	23.1
154.07742	1.5
155.08582	9.6
156.09352	7.8
157.10136	32.2
158.11003	3.7
159.08124	4.2
159.11700	18.4
161.09634	5.9
161.13297	8.2
163.11223	6.0
163.14867	3.5
165.06993	2.7
165.09128	1.5
165.12733	7.4
166.07849	2.3
167.08650	4.4
167.10764	2.3
168.09418	2.8
169.10149	17.5
170.11053	5.6
171.11687	15.4
171.12923	1.2
172.12524	2.3
173.09743	3.7
173.13274	15.8
173.14473	1.2
175.11295	3.9
175.14841	10.4
177.12886	4.1
179.08640	4.5
179.14272	7.0
180.09430	2.5
181.10156	8.0
182.10983	3.8
183.11696	13.3
183.13036	1.2
184.12569	2.9
185.09724	3.8
185.13264	10.8
187.11243	2.5
187.14845	8.9
189.12694	1.4
191.14337	15.5
192.09404	2.6
193.10199	5.0
193.11877	1.1
193.15997	4.2
194.10968	3.3
195.11670	9.9
195.13559	1.1
196.12556	3.4
197.09721	1.3
197.13298	13.2
198.10481	1.4
199.11275	4.1
199.14893	5.6
201.12837	1.8
201.16521	4.7
203.14351	6.0
205.10258	1.6
205.15894	55.7
205.77980	1.2
206.10947	2.7
207.11713	8.9
208.12537	2.9
209.13275	17.0
210.13983	1.5
211.11366	2.3
211.14789	10.2
213.12881	4.2
213.16415	1.8
215.14442	1.8
217.15973	3.1
218.16838	1.8
219.11719	2.9
219.17549	5.4
220.12682	1.5
221.13358	5.0
222.14185	1.5
223.14934	5.2
225.16559	3.8
227.14584	1.3
227.18030	2.2
229.15828	1.6
231.17422	6.0
233.13364	3.2
233.19283	1.7
234.14185	1.6
235.14781	7.4
237.16484	3.1
239.14317	1.3
239.18208	2.3
241.15945	1.7
245.19156	2.7
247.14830	3.0
249.16577	3.0
251.14381	1.5
251.18080	2.0
253.19817	1.8
255.17569	2.4
259.14932	2.5
261.16605	3.8
263.18063	1.8
265.15939	1.5
265.19666	3.0
267.21170	2.9
269.19180	3.9
271.20609	6.3
275.17920	2.0
277.15961	1.8
283.20520	2.9
291.21091	1.3
295.20795	3.4
297.22278	1.9
331.24411	2.9
333.22220	3.1
335.23914	3.0
337.25412	1.5
342.63876	1.2
348.24564	3.1
357.25916	1.4
361.25485	3.0
383.29471	2.2
397.31122	4.9
423.32654	7.3
436.33743	1.4
457.34940	2.7
475.36090	2.4
489.37344	100.0
502.38004	1.4
549.41296	4.1
552.46198	1.2
581.43781	77.7
582.44940	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
54.33378	2.0
55.01876	2.7
55.05514	11.0
57.07087	5.4
59.05007	2.1
65.03953	3.7
67.05515	23.5
69.03436	20.8
69.07076	15.3
70.01857	4.2
70.02247	4.3
71.05003	4.8
75.04486	1.5
75.50737	1.4
79.05499	23.2
81.07063	30.8
83.04997	2.3
83.08636	6.3
91.04922	1.9
91.05485	35.1
93.07055	38.9
95.04977	8.3
95.08616	36.5
96.04881	1.6
103.05499	5.7
105.07037	65.5
107.04937	1.8
107.08601	48.1
109.06532	27.2
109.10172	37.4
115.05495	6.5
116.06252	2.6
117.07034	16.8
119.08587	75.7
121.06520	6.5
121.10152	78.6
123.08077	16.0
123.11737	12.8
128.06212	8.1
129.07019	13.4
130.07791	5.9
131.08583	37.2
133.06523	6.5
133.10144	100.0
135.08040	10.7
135.11699	40.1
137.09633	3.8
141.07027	6.3
142.07803	18.9
143.08562	24.0
144.09373	6.7
145.06541	4.1
145.10133	59.4
146.10866	1.7
147.08093	8.2
147.11694	26.2
149.09642	2.8
149.13286	5.4
151.11200	1.7
153.06982	1.9
154.07788	2.5
155.08562	9.6
156.09370	8.8
157.10141	43.1
158.07350	2.4
158.10939	10.1
159.08087	11.1
159.11703	24.4
161.09680	2.8
161.13237	8.6
163.07614	3.0
163.11240	3.1
163.14914	2.1
165.07117	3.8
166.07802	2.7
167.08615	6.9
168.09389	5.1
169.10150	14.2
170.07309	3.3
170.10928	5.9
171.08104	4.9
171.11696	16.3
172.12521	4.0
173.09651	4.8
173.13284	37.6
175.11220	3.1
175.14839	20.6
179.08600	9.6
180.09387	7.2
181.10106	12.3
182.10930	3.7
183.08096	2.0
183.11632	13.0
184.08844	2.0
185.09637	53.1
185.13239	17.0
187.11205	5.8
187.14847	41.9
189.09135	3.3
189.12914	2.4
189.16412	6.0
191.14339	13.1
192.09424	4.3
193.10168	8.7
194.10973	5.4
195.08018	1.8
195.11760	10.4
196.08807	3.2
196.12489	3.5
197.09723	5.8
197.13278	9.9
198.10452	2.6
199.11174	9.1
199.14839	10.9
201.09030	2.6
201.12849	5.0
201.16415	6.4
205.10263	3.2
205.16006	4.6
206.10974	2.4
207.11719	10.2
208.12494	2.3
209.09753	4.1
209.13353	10.1
209.15172	2.1
210.10512	3.0
211.11212	14.2
211.14848	8.6
213.12758	9.2
213.16306	2.9
217.10265	4.3
217.16031	2.7
218.10925	4.0
219.11769	6.5
219.17531	1.9
220.12372	3.1
221.13203	8.4
222.14162	3.5
223.11276	7.7
223.14893	5.6
225.12827	8.5
225.16425	6.6
227.14278	3.0
227.18079	2.9
229.12337	2.0
231.11757	3.7
233.13266	6.9
235.11189	2.9
235.14899	5.5
236.11998	2.1
237.12804	3.6
237.16400	4.0
239.14325	3.8
241.12291	3.6
241.15900	2.2
244.12416	2.9
245.13426	5.0
246.14223	1.9
247.14873	3.4
249.12814	4.2
249.16446	5.1
251.14328	7.5
251.18076	3.8
253.12276	3.8
253.15947	2.5
255.13925	2.9
257.13339	2.1
258.14331	2.6
259.14960	5.9
261.12979	2.6
261.16489	3.9
262.17166	1.9
263.14505	5.5
263.17828	3.5
265.16000	3.5
267.13934	4.7
267.17368	2.6
269.13107	1.8
271.14822	4.1
273.16400	2.9
275.14508	5.8
275.17984	3.5
277.16013	5.3
279.17487	4.5
287.17981	2.9
289.16104	3.7
289.19391	3.3
291.17334	3.1
293.18912	2.7
301.16000	2.8
301.19354	2.1
303.17569	2.7
305.19266	3.3
307.20804	2.1
321.22263	3.6
327.17450	2.0
329.19104	2.3
333.22342	2.4
345.22290	3.8
357.21991	8.5
363.23212	47.4
373.25510	3.6
375.23349	5.9
387.23035	3.2
389.24393	2.9
397.25781	2.3
415.26715	2.6
417.27927	2.1
423.26199	2.0
427.26328	4.2
429.28021	5.4
441.27872	3.2
443.29361	4.0
545.37726	12.7
563.38867	24.8
581.39923	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92799	2.7
54.66623	3.2
55.01862	4.6
55.05513	19.5
57.03441	3.5
67.05506	38.5
69.07065	12.7
70.06542	3.2
71.52975	3.6
79.05490	35.7
81.03416	14.6
81.07059	55.2
83.04984	4.6
83.08617	13.5
85.02944	3.9
86.09670	3.6
91.03883	3.5
91.05470	26.5
93.07050	36.9
95.04968	19.0
95.08611	18.0
97.02871	5.0
97.06567	4.1
97.10153	10.2
102.98331	3.0
105.07032	19.8
107.04942	12.8
107.08582	18.7
109.06509	8.3
109.10153	13.8
111.04487	4.7
111.08090	4.4
117.01083	4.0
117.07008	16.5
119.08590	28.3
121.06494	8.9
121.10155	10.5
123.08088	15.8
125.09631	7.0
129.07004	12.0
131.08549	16.0
133.06482	4.9
133.10124	10.3
135.04471	3.7
135.08054	11.4
135.11644	5.8
139.03914	3.9
143.08530	9.1
145.10136	16.2
147.08054	11.6
147.11630	7.2
149.09584	10.8
155.08525	3.3
156.53796	3.4
157.10153	7.4
159.11658	5.2
161.09665	6.6
163.11201	10.9
171.11662	4.3
173.11714	5.5
173.13210	3.8
175.11235	4.2
185.13181	4.0
189.11195	4.1
205.46358	3.3
223.13354	5.6
227.12794	3.5
237.88564	3.6
249.15002	4.4
251.18326	3.0
252.90527	3.4
273.18530	40.4
291.19537	100.0
309.16025	9.6
347.22095	7.1
365.23230	36.9
383.19928	18.3
401.20898	53.9
581.30347	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	581.1867
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
55.05506	1.1
56.71743	0.6
57.03189	0.9
57.03440	8.4
59.05005	0.6
67.01864	2.4
68.99791	1.8
69.03437	5.7
69.54581	4.2
69.76223	0.7
70.06591	2.0
71.04996	45.0
72.08143	2.0
72.38197	0.7
73.02927	1.6
75.04472	1.7
78.08951	0.6
81.03428	1.6
81.74191	0.7
83.04975	2.7
84.04514	1.0
84.08150	3.7
85.02906	49.4
86.09706	2.3
86.64717	0.7
87.04472	1.4
91.05447	1.5
97.02903	1.8
103.03918	1.0
107.04927	3.2
109.02871	1.3
111.04434	2.0
119.04966	5.0
120.08111	1.5
121.02867	2.2
121.06544	1.8
122.18337	0.6
123.04433	1.9
125.02390	1.1
127.03926	0.9
129.05481	15.3
129.10249	1.9
132.10178	0.8
135.04439	3.2
136.07587	0.7
147.04420	22.6
147.06403	4.7
151.03951	0.7
153.01834	60.6
163.03918	1.6
165.01855	7.6
171.02882	10.1
177.01781	3.3
179.03455	1.5
182.78831	0.7
183.02892	2.3
189.01891	0.9
191.03375	4.9
195.02895	29.6
198.09309	0.7
203.03394	2.2
205.01541	0.7
207.02901	1.1
217.05051	0.7
219.02899	12.0
231.02902	2.9
243.02974	0.9
245.04410	4.3
249.04042	1.9
261.03989	3.3
263.05548	5.8
271.06064	9.2
272.06329	6.4
273.07581	100.0
274.07901	1.1
279.04782	1.2
281.06677	2.0
285.04401	1.1
285.07587	6.8
287.05551	1.4
297.07651	3.3
315.08652	11.0
339.08673	11.6
351.08707	1.9
363.08582	0.9
365.10416	2.6
369.09601	1.6
381.09531	2.2
383.11200	6.1
399.10724	3.9
401.12283	1.9
417.11835	4.4
419.13422	2.2
435.12845	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70491	2.3
54.59035	2.2
55.01868	6.7
55.05512	18.0
57.03422	3.1
61.02929	3.0
65.75503	2.4
67.05508	23.7
69.03423	3.0
69.07057	11.0
70.06576	9.2
71.52304	4.5
72.08135	3.4
79.05508	18.0
81.03410	9.3
81.07060	42.1
81.80824	2.6
83.04971	7.1
83.08619	13.4
84.04497	3.4
84.08134	10.6
85.02901	9.0
85.06498	3.1
86.06113	2.3
86.09692	8.8
91.05480	12.7
93.07058	17.6
95.04956	10.3
95.08614	14.6
97.02882	3.0
97.06552	6.3
97.10176	22.3
99.04440	2.9
99.08073	2.9
100.75766	2.6
105.07059	14.8
107.04946	5.5
107.08605	15.3
109.06525	3.9
109.10152	8.7
111.04459	7.6
111.08079	6.4
117.07006	5.2
119.08573	16.9
119.88032	2.4
120.08116	2.3
121.06494	8.3
121.10149	9.7
123.08060	21.8
125.09636	25.6
127.03933	3.2
131.08578	9.9
133.10120	7.5
135.08040	4.3
135.11676	6.0
136.07590	2.9
137.09579	4.8
145.10097	7.3
146.36810	2.7
147.08061	6.0
147.11653	3.7
149.09622	6.5
153.12761	3.4
159.11696	2.9
161.09621	3.1
163.11183	19.8
165.09084	5.7
165.12619	3.2
171.11681	3.7
175.11113	2.8
176.56152	2.6
181.12215	5.8
184.07349	4.3
185.13455	3.2
189.11212	6.8
191.10728	3.7
193.12282	6.2
223.13297	2.6
227.12730	7.0
229.14407	2.9
245.19150	3.8
252.89835	3.0
273.18536	20.5
283.15277	4.9
285.16788	6.1
291.19510	47.3
297.24313	3.8
309.20465	7.9
347.22006	4.6
365.23239	100.0
383.24280	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
54.70190	2.5
55.01867	9.0
55.05512	17.0
57.03431	7.1
61.02916	5.3
65.03945	3.1
67.05506	38.3
69.03418	7.0
69.07079	23.5
70.06588	20.4
71.01343	2.7
71.04990	5.7
71.52116	4.3
72.08147	7.9
74.00657	2.7
77.88721	2.2
79.05492	39.8
81.03419	8.5
81.07063	65.5
82.07392	5.3
83.04967	5.5
83.08625	14.6
84.04520	3.5
84.08152	13.0
85.02933	5.9
85.06535	5.6
86.09716	18.5
91.03979	3.3
91.05481	39.9
93.07055	38.3
95.04961	16.4
95.08610	25.1
96.08998	3.7
97.02901	6.3
97.06541	11.6
97.10185	7.8
103.05421	3.7
104.10773	5.0
105.07043	29.6
107.04966	15.1
107.08601	27.6
109.06503	12.9
109.10172	16.1
110.07189	6.6
111.08111	4.8
117.07026	12.5
119.07896	3.3
119.08601	26.1
120.08128	6.8
121.06506	7.5
121.10148	22.0
123.08070	7.8
123.11755	4.2
125.00037	5.6
125.09636	10.0
127.03884	3.2
129.06996	9.3
129.10246	5.9
131.08560	21.8
133.06458	4.0
133.10152	30.9
135.08044	13.6
135.11710	15.5
137.05988	4.0
137.09608	4.7
142.07727	2.8
143.08559	7.7
145.10123	16.9
147.08057	11.4
147.11673	13.0
149.09624	12.2
149.13321	3.2
151.11182	6.9
157.10136	9.5
159.11684	11.2
161.09624	9.8
161.13263	3.3
163.11177	14.8
165.12694	4.8
165.23055	2.7
171.11726	5.0
173.09570	3.6
173.13390	3.3
175.11208	10.1
177.12791	3.3
181.12244	3.3
184.07346	19.0
185.13240	4.3
188.41142	3.0
211.13155	4.2
213.16512	3.6
227.18008	7.0
245.18993	6.9
255.17758	4.2
263.20108	9.3
267.15945	11.2
269.17529	4.0
273.18558	38.6
285.17004	31.3
288.21738	2.8
291.19547	25.4
307.18829	3.3
309.20547	3.9
337.23712	12.2
347.22180	20.2
365.23239	100.0
366.23544	5.3
383.24286	73.1
400.24054	7.3
554.73120	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	579.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
55.01874	9.9
55.05512	28.8
57.02070	2.3
57.03430	8.8
57.07076	3.0
65.03940	9.1
67.05508	96.0
69.07072	25.2
69.85880	13.2
71.04993	4.4
74.15394	2.0
74.95030	2.5
79.05499	67.3
81.03426	9.6
81.07062	100.0
83.04990	23.8
83.08620	15.5
85.06554	4.7
89.05928	3.2
91.05486	51.2
93.06489	5.3
93.07046	72.0
93.72293	2.3
95.04974	18.4
95.08615	59.4
95.09184	4.9
97.06518	17.0
97.10173	5.1
99.04444	4.2
99.82059	2.2
105.04521	3.4
105.07040	41.0
106.73219	2.8
107.04967	29.6
107.08599	47.6
109.06512	7.4
109.10152	30.9
111.04458	24.1
111.08105	13.5
117.07020	24.9
119.08585	34.9
121.06517	5.1
121.10140	39.8
123.04375	3.0
123.08062	3.6
123.11711	8.7
125.06007	3.0
125.09569	2.8
129.07011	9.0
130.07841	3.6
131.08588	29.2
133.10152	22.8
135.08089	6.0
135.11687	33.2
137.09750	2.5
137.13292	3.2
139.11140	3.3
141.07080	2.2
142.07742	2.4
143.08586	8.8
145.06487	6.8
145.10132	41.1
147.08076	3.7
147.11714	14.5
149.09619	12.8
149.13275	10.1
153.12788	9.0
155.08592	9.8
157.10155	8.7
159.11702	12.1
161.13269	7.9
163.11174	35.3
166.68552	2.8
169.10149	4.3
171.11716	4.7
173.09665	18.8
173.13268	9.3
176.27629	2.4
181.12253	17.7
183.11673	3.9
185.13327	3.9
187.11240	3.8
187.14818	4.3
191.10701	22.1
209.11711	8.7
221.13330	2.9
227.12764	18.5
243.21048	4.5
257.19034	3.9
259.20502	2.9
261.22113	22.7
265.14362	30.0
267.15891	3.6
269.17493	3.5
275.19980	12.5
277.21707	2.7
279.23181	8.4
283.15378	45.4
287.14099	2.6
293.21011	2.9
299.14722	3.3
299.23325	2.8
301.16519	36.7
317.24817	5.9
335.25821	31.6
337.27359	3.6
423.32584	3.6
451.32294	5.2
469.33035	5.1
508.37289	2.6
515.37250	9.1
525.35443	11.3
536.13141	2.8
537.43292	2.6
543.36816	34.7
561.38251	27.1
579.33899	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	579.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
55.01874	9.9
55.05512	28.8
57.02070	2.3
57.03430	8.8
57.07076	3.0
65.03940	9.1
67.05508	96.0
69.07072	25.2
69.85880	13.2
71.04993	4.4
74.15394	2.0
74.95030	2.5
79.05499	67.3
81.03426	9.6
81.07062	100.0
83.04990	23.8
83.08620	15.5
85.06554	4.7
89.05928	3.2
91.05486	51.2
93.06489	5.3
93.07046	72.0
93.72293	2.3
95.04974	18.4
95.08615	59.4
95.09184	4.9
97.06518	17.0
97.10173	5.1
99.04444	4.2
99.82059	2.2
105.04521	3.4
105.07040	41.0
106.73219	2.8
107.04967	29.6
107.08599	47.6
109.06512	7.4
109.10152	30.9
111.04458	24.1
111.08105	13.5
117.07020	24.9
119.08585	34.9
121.06517	5.1
121.10140	39.8
123.04375	3.0
123.08062	3.6
123.11711	8.7
125.06007	3.0
125.09569	2.8
129.07011	9.0
130.07841	3.6
131.08588	29.2
133.10152	22.8
135.08089	6.0
135.11687	33.2
137.09750	2.5
137.13292	3.2
139.11140	3.3
141.07080	2.2
142.07742	2.4
143.08586	8.8
145.06487	6.8
145.10132	41.1
147.08076	3.7
147.11714	14.5
149.09619	12.8
149.13275	10.1
153.12788	9.0
155.08592	9.8
157.10155	8.7
159.11702	12.1
161.13269	7.9
163.11174	35.3
166.68552	2.8
169.10149	4.3
171.11716	4.7
173.09665	18.8
173.13268	9.3
176.27629	2.4
181.12253	17.7
183.11673	3.9
185.13327	3.9
187.11240	3.8
187.14818	4.3
191.10701	22.1
209.11711	8.7
221.13330	2.9
227.12764	18.5
243.21048	4.5
257.19034	3.9
259.20502	2.9
261.22113	22.7
265.14362	30.0
267.15891	3.6
269.17493	3.5
275.19980	12.5
277.21707	2.7
279.23181	8.4
283.15378	45.4
287.14099	2.6
293.21011	2.9
299.14722	3.3
299.23325	2.8
301.16519	36.7
317.24817	5.9
335.25821	31.6
337.27359	3.6
423.32584	3.6
451.32294	5.2
469.33035	5.1
508.37289	2.6
515.37250	9.1
525.35443	11.3
536.13141	2.8
537.43292	2.6
543.36816	34.7
561.38251	27.1
579.33899	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	579.3013
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.94242	1.1
53.03941	2.3
55.01874	8.9
55.05515	13.8
57.03440	11.0
61.02919	2.3
67.05510	21.2
69.03423	3.7
69.07072	11.6
69.62759	5.7
70.06593	4.6
71.04985	1.7
72.08157	1.1
73.02917	3.5
79.05498	13.3
81.03419	5.2
81.07062	20.9
83.04984	9.1
83.08617	7.0
84.08149	4.9
85.02903	4.1
86.09709	2.9
87.04485	1.2
91.05499	10.8
93.07047	16.3
95.04987	10.4
95.08607	9.5
97.02889	5.2
97.06517	5.8
97.10185	7.7
98.07323	1.4
101.06008	1.6
103.03973	1.2
105.07033	10.5
107.04984	6.2
107.08598	8.9
109.02889	4.5
109.06527	6.8
109.10165	11.8
110.07239	1.7
111.04432	2.2
111.08090	2.5
116.04694	7.7
117.07016	3.4
119.08574	8.8
121.06488	2.5
121.10158	4.0
123.04433	4.1
123.08076	3.5
123.11738	1.9
125.09609	6.4
127.03919	2.3
129.05486	22.8
129.06973	2.5
129.10249	3.1
131.08565	4.8
133.06474	1.8
133.10107	7.4
135.08064	4.2
135.11705	4.5
136.07541	1.1
137.05992	1.5
137.09607	7.6
138.10379	1.6
139.07535	1.6
143.07085	6.4
143.08594	1.8
145.10135	3.2
147.08072	3.4
147.11681	4.6
149.09642	3.0
153.09059	1.6
155.10652	2.4
157.08626	11.7
157.09940	1.5
159.11781	3.3
161.09634	3.3
163.11157	2.8
165.09178	2.3
165.12814	1.4
171.10175	4.3
171.11607	1.2
173.09599	1.9
173.11839	1.6
175.11168	1.5
177.12703	2.5
189.11217	3.2
189.12798	1.1
193.12244	3.8
195.13791	1.1
200.14104	2.1
219.06767	1.1
221.11746	6.0
227.12805	1.8
229.14359	5.8
239.12790	3.2
242.39561	1.2
269.17505	2.7
273.18484	6.1
289.18008	1.6
291.19574	4.5
295.15500	2.8
313.16418	3.1
339.60010	1.2
347.22165	2.6
365.23212	15.2
381.22690	2.1
399.23810	100.0
514.04016	1.2
555.83270	1.3
561.28925	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	579.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15718	1.7
51.02396	1.5
53.03939	5.0
55.01877	15.1
55.05518	22.6
57.03444	14.7
59.04354	1.6
59.04992	2.1
61.02908	3.2
65.03967	1.5
67.05507	40.5
68.06261	1.5
69.03426	5.7
69.07072	24.7
70.06581	6.0
71.01337	2.2
71.04986	5.8
71.06583	3.2
72.08118	1.8
73.02930	3.0
79.05494	32.0
81.03407	8.6
81.06594	3.0
81.07055	46.1
83.04971	11.5
83.08620	11.5
84.08118	4.8
85.02885	5.0
85.06554	2.5
86.09706	3.1
91.05485	25.6
93.07044	22.9
95.04971	15.7
95.08597	19.2
96.05736	3.1
97.02904	13.9
97.06544	10.5
97.10172	17.2
98.07268	2.3
99.04443	2.6
99.08094	3.1
102.70795	1.7
103.03938	1.9
105.04526	2.3
105.07031	21.2
107.04981	12.7
107.08591	19.2
109.02892	7.3
109.06520	11.7
109.10164	23.7
111.04435	6.5
111.08079	5.0
116.04719	8.1
117.07033	8.6
119.08571	20.2
121.06490	8.8
121.10130	7.8
122.07281	3.6
123.04397	7.8
123.08076	8.4
125.05997	1.6
125.09626	12.9
129.05482	18.8
129.07004	5.3
131.08577	11.0
133.06493	4.7
133.10136	13.0
135.04443	1.7
135.08032	10.4
135.11678	8.5
137.05951	3.8
137.09627	12.1
138.10342	2.1
139.07504	2.3
143.06998	4.3
143.08531	4.1
145.10135	7.9
147.08055	7.4
147.11710	7.2
149.09634	6.3
149.13292	3.0
153.09111	5.7
153.12704	2.0
155.10722	7.3
157.08604	11.9
157.10107	4.6
159.08069	2.3
159.11662	3.3
161.09660	8.1
161.13176	2.0
163.11172	7.5
165.09111	2.8
165.12755	1.5
171.10170	7.1
171.11612	3.4
173.11736	6.3
173.13095	2.0
175.11188	5.6
177.09149	2.1
177.12720	4.6
185.13199	2.4
189.11252	4.7
193.10677	1.7
193.12149	9.0
200.14072	1.6
203.14331	1.5
221.11726	11.1
227.12779	3.7
229.14232	7.6
239.12740	3.7
245.19058	2.7
269.17493	4.5
273.18524	21.7
273.21481	2.8
289.18051	2.0
291.19534	19.0
293.17685	1.7
295.15353	4.7
307.19006	1.9
313.16513	8.0
347.22076	4.7
364.21985	2.3
365.23224	67.3
381.22702	3.2
382.22977	2.3
383.24124	2.5
399.23785	100.0
579.24866	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	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01871	7.3
55.05520	9.0
56.05029	5.8
57.03439	4.7
60.04513	2.0
61.02920	2.2
67.05499	3.1
68.05038	4.0
68.08617	1.8
68.99793	2.8
69.03438	15.9
69.07062	3.4
69.43575	4.6
69.43999	9.5
70.06599	100.0
71.04993	3.2
71.06928	3.6
72.08163	43.1
73.02913	3.0
74.06099	2.3
79.05494	4.2
81.03429	19.5
81.07047	3.5
83.04936	1.9
83.06115	3.9
84.04527	9.5
84.08152	62.9
85.02917	42.8
85.08505	2.1
86.06094	3.9
86.09716	32.6
87.00823	15.4
87.05614	3.3
88.03986	3.0
91.05476	11.0
93.04533	5.2
95.04973	3.0
95.08644	2.8
97.02902	17.2
99.04458	6.7
101.07181	2.4
102.05550	3.0
103.05481	8.4
105.01891	10.2
105.07061	3.7
107.04973	5.2
107.08655	2.1
109.02887	12.5
109.06522	3.2
109.11948	1.6
110.07174	36.2
111.04425	2.8
112.08714	2.6
115.03944	5.3
115.05448	2.5
117.07040	2.3
119.04967	6.3
120.08122	29.1
121.06512	3.7
122.03666	4.6
123.04417	3.4
123.08027	2.1
127.03912	18.8
129.07021	3.3
129.10263	31.4
131.04924	3.0
133.06131	4.4
135.08043	3.5
136.07613	9.3
137.05992	70.3
141.10245	2.3
145.04961	4.9
145.06567	2.2
147.04469	3.0
147.08075	2.9
147.11450	1.7
149.06009	3.2
151.03944	13.1
151.07545	41.6
151.08678	3.5
157.06516	4.9
159.02910	6.5
161.05969	16.9
163.03951	2.4
163.07542	10.2
165.09061	3.1
167.08443	3.7
171.08086	2.2
174.06824	4.6
175.07608	10.5
177.09067	3.5
181.05005	1.9
181.06456	2.2
183.14948	5.9
185.09258	7.3
187.07611	2.7
187.10826	4.5
189.09116	13.9
191.06853	2.7
191.10591	3.0
193.04832	2.0
193.08542	2.1
193.10194	2.1
195.08092	6.5
195.10222	4.8
199.07555	2.7
200.13934	2.5
203.07043	4.2
203.08714	2.3
207.10237	3.4
209.07997	8.8
211.07683	2.2
212.11806	3.1
213.08737	13.6
215.10500	1.9
219.10083	3.5
221.05885	2.3
221.09628	3.9
222.06725	3.0
223.07535	3.3
225.09335	3.9
227.10693	7.2
231.05009	3.5
231.10193	2.3
233.07753	2.1
234.06883	2.9
237.09154	2.5
239.10612	3.1
241.08290	2.2
249.11255	5.9
253.08580	3.8
253.12083	3.5
253.16965	1.7
255.07799	1.7
255.10095	8.9
261.08994	2.5
261.11444	3.7
261.15793	1.8
265.08548	5.1
267.10260	2.7
271.06119	3.5
273.08966	2.4
279.10001	2.7
284.10349	2.9
284.15982	2.0
285.11227	5.9
287.12836	20.4
289.12265	2.0
293.08325	3.5
293.11600	4.0
297.11313	7.5
299.12747	10.7
302.09299	1.9
309.11298	6.3
311.12708	11.1
312.15692	5.0
313.14377	14.6
321.11356	2.9
323.12766	5.3
325.14395	2.2
331.15396	40.5
332.19318	3.6
335.12903	3.1
341.13702	8.9
343.15430	15.2
353.13858	2.9
355.15387	4.3
362.46469	2.0
367.15384	4.5
370.20303	2.8
378.71530	7.7
379.15393	3.1
397.16412	5.3
399.31995	4.1
415.20892	2.0
417.33224	8.0
421.16290	8.9
439.17313	4.9
525.18011	2.1
543.18701	2.6
561.19464	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	578.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01862	8.5
55.05274	2.5
55.05514	27.1
55.30155	2.3
57.03438	6.8
61.02922	3.9
67.05182	3.3
67.05507	36.4
68.03558	1.9
69.03418	6.2
69.07070	14.9
70.06596	4.1
71.04977	7.8
71.52454	3.2
77.41755	2.0
79.05499	39.3
81.03405	8.6
81.07065	42.8
82.07388	2.8
83.04975	9.3
83.08620	27.6
84.08127	4.4
85.02911	6.8
85.06547	5.3
86.09696	4.1
91.05484	35.4
93.07043	34.0
95.04971	51.0
95.08075	2.4
95.08626	29.4
96.08995	2.1
97.02862	5.8
97.06536	9.1
97.10178	10.2
104.10735	2.7
105.07046	35.0
106.07361	2.7
107.04976	15.7
107.08589	28.1
109.06515	12.0
109.10158	14.0
111.04409	2.7
111.08102	7.3
114.46734	1.9
117.07008	17.7
118.59055	2.0
119.08591	26.7
121.06506	19.3
121.10138	16.7
123.08055	7.2
123.11712	6.5
125.09621	8.7
129.07019	6.1
131.08583	20.8
133.10117	22.6
135.08070	6.7
135.11670	9.9
136.62648	2.1
137.09610	5.8
139.11180	2.5
143.08554	7.7
145.10118	25.0
147.08058	6.3
147.11659	11.8
149.09618	24.7
149.13206	3.0
151.11206	2.3
155.08537	2.8
157.10086	7.1
159.11687	12.0
161.09573	4.0
161.13275	4.2
163.11174	27.0
165.12744	5.8
169.10127	3.1
171.11690	5.0
173.13266	6.5
175.11183	3.6
177.12750	8.8
183.11633	3.2
184.07324	4.0
185.13240	3.2
187.11221	4.1
187.14888	4.0
189.11116	4.5
193.12160	1.9
194.12534	2.0
197.13445	3.4
199.14998	2.6
205.12242	16.4
207.13823	2.2
215.72847	2.3
217.15987	2.8
220.75386	2.1
223.13249	2.3
227.12799	6.5
229.14311	2.9
229.19420	3.8
239.18082	4.4
245.13849	4.1
247.20636	4.0
257.19125	12.0
259.69479	1.9
275.20081	100.0
279.15985	2.8
293.21048	2.3
297.17026	17.3
309.20593	10.9
349.23746	62.7
367.24811	87.7
381.26385	85.6
399.27380	2.6
401.10428	2.1
560.36713	3.8
578.31635	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	578.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01880	3.4
55.05520	9.6
57.03449	3.1
59.04993	0.8
61.02917	1.9
67.05133	0.5
67.05505	9.1
69.03418	1.9
69.07072	11.4
69.25604	0.9
69.26012	3.1
70.06578	1.1
71.04993	1.6
72.08163	0.6
73.02916	0.5
79.05074	0.8
79.05502	10.8
81.03424	4.8
81.07062	14.8
82.16393	0.5
83.04984	3.9
83.08631	6.2
84.08115	0.5
85.02920	2.7
85.06506	0.6
86.09698	0.6
91.03970	0.8
91.05489	9.0
93.07050	8.8
95.04983	4.5
95.08619	3.9
97.02895	2.7
97.06538	2.3
97.09623	0.7
97.10184	6.4
99.00821	1.0
99.04458	0.5
99.08101	1.3
105.07052	6.1
107.04973	3.0
107.08603	7.5
109.02889	3.8
109.06524	3.7
109.10153	3.4
109.10827	0.4
111.04474	2.2
111.08094	1.8
115.05453	0.8
117.07033	4.1
119.08592	6.6
121.02853	0.6
121.06509	3.7
121.10114	2.3
123.04435	1.9
123.08076	1.7
123.11703	0.5
125.09648	5.8
127.03922	0.5
128.06198	0.4
129.06966	1.3
131.08588	3.0
133.06509	0.9
133.10141	5.5
135.04440	0.9
135.08073	8.5
135.11708	1.7
137.09637	3.6
139.07497	0.8
143.08566	1.7
145.04999	0.4
145.06470	2.1
145.10153	3.3
145.30766	0.4
147.08073	1.9
147.11691	1.8
149.09630	1.8
151.11217	1.5
153.09116	1.7
153.12724	2.3
155.08568	0.8
157.10081	0.9
159.08067	2.9
159.11679	0.8
161.09616	4.1
163.07529	5.3
163.11156	2.2
171.08073	0.4
171.10152	1.0
173.09648	1.6
175.11252	1.3
177.09120	1.1
179.10739	1.7
181.12270	1.1
182.66348	0.4
183.11853	0.4
184.07434	0.6
185.09604	0.5
189.09192	1.1
189.11250	2.8
191.10687	1.3
193.10408	0.9
193.12242	12.4
211.13292	0.8
221.11803	0.5
225.16284	0.7
227.12799	1.9
239.12706	0.5
243.17397	1.0
245.13841	0.7
247.17355	0.4
261.18503	2.8
267.15930	0.6
271.16968	3.7
283.15421	1.5
289.18011	14.4
304.24377	0.5
307.19058	4.6
317.11734	0.5
320.48682	0.4
363.21671	7.5
381.22742	100.0
382.22681	0.5
494.63922	0.5
517.84912	0.5
543.27716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00367	0.4
67.05524	0.4
69.72367	2.2
70.06599	3.5
71.11767	0.4
72.08140	0.9
81.07053	0.5
84.08146	1.9
85.06548	0.5
86.09711	1.7
100.33229	0.4
105.04513	0.5
110.07169	0.6
111.87269	0.4
120.08109	0.9
129.10243	1.3
132.05585	1.9
133.06352	0.5
160.05067	89.9
161.05452	0.5
192.07677	100.0
207.13698	0.8
279.62015	0.4
382.27780	0.4
577.98602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88418	0.4
53.03942	1.3
55.01878	3.6
55.05272	0.7
55.05518	9.8
57.03448	3.2
59.04996	0.5
61.02935	2.8
61.20352	0.4
67.05139	0.5
67.05508	9.5
69.03415	1.9
69.03759	0.6
69.07076	12.8
70.06600	0.7
70.48711	1.4
71.04996	1.4
73.02912	0.7
79.05498	11.6
81.03416	4.9
81.07063	15.4
83.04987	4.6
83.08630	6.1
85.02908	3.1
91.03934	0.6
91.05490	10.9
93.07049	9.3
95.04968	5.3
95.08601	5.1
97.02895	1.6
97.06542	4.0
97.10168	7.8
99.00807	1.2
99.08069	1.3
105.07031	6.5
107.04964	5.8
107.08596	9.0
109.02901	2.5
109.06521	3.7
109.10168	3.2
109.87777	0.5
111.04436	1.8
111.08080	1.6
115.05451	0.8
117.07031	3.9
119.08589	8.0
121.02881	0.5
121.06520	4.0
121.10142	2.8
123.04458	2.6
123.08084	2.5
125.09647	6.3
129.06976	2.1
131.08578	3.6
133.06491	1.2
133.10135	5.3
135.04369	0.7
135.08052	11.8
135.11713	2.4
137.06021	0.6
137.09619	5.1
139.07547	1.3
142.94183	0.5
143.08556	2.1
143.09598	0.5
145.06500	3.1
145.10118	2.5
147.08066	2.0
147.11697	1.6
149.09621	1.5
151.07581	0.9
151.11197	1.5
153.09138	2.1
153.12759	2.0
155.08592	0.9
157.10124	1.6
159.08076	3.3
161.09647	4.7
163.07558	8.2
163.11156	2.5
165.09109	0.5
171.08067	1.1
171.10219	2.8
171.11508	0.7
173.09674	1.3
173.13170	0.6
175.11252	0.7
179.10645	1.7
181.12251	1.2
183.11671	0.9
187.11215	0.6
189.09354	0.9
189.11246	3.4
191.10706	2.1
193.12253	16.7
209.11829	0.6
211.13284	1.0
219.13852	0.6
227.12721	3.3
243.17447	1.7
245.13892	1.4
253.15814	1.0
261.18524	3.3
267.16141	1.1
271.16931	5.2
283.15451	5.5
289.17996	27.6
307.19000	7.9
337.19971	0.9
349.23511	0.6
353.23584	0.5
353.46860	0.5
363.21655	16.6
368.17267	0.5
381.22733	100.0
382.23233	0.9
418.50940	0.5
516.42322	0.5
590.23730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17356	1.4
53.03951	7.5
55.01881	9.3
55.05516	43.5
57.03438	14.3
57.73770	1.3
58.99597	1.2
59.04999	2.5
65.03944	8.8
67.05511	53.1
69.03439	7.2
69.07074	24.3
69.61183	5.6
69.61589	2.1
71.04993	9.7
71.12432	1.1
79.05499	48.9
81.03423	60.6
81.07060	54.7
83.04989	25.1
83.08625	39.5
85.02908	29.9
85.06548	5.6
86.09692	1.6
91.04907	2.9
91.05481	50.3
92.06389	1.3
93.07049	46.4
95.04977	83.8
95.08614	30.3
97.02888	3.3
97.06548	10.0
97.10171	13.6
99.04477	8.6
99.08115	2.0
103.05506	1.7
105.04516	1.7
105.07039	45.2
107.04960	15.3
107.08597	41.9
107.09302	2.2
109.06511	13.9
109.10159	15.4
110.53072	1.4
111.04449	17.3
111.08096	11.0
113.06013	3.8
115.05488	1.9
117.07016	12.2
119.08593	32.7
121.06514	8.4
121.10150	26.0
123.08092	10.4
123.11702	6.1
125.06005	1.8
125.09648	12.4
129.05553	1.7
129.06998	14.4
131.05028	1.7
131.08588	21.1
133.06522	3.1
133.10144	20.2
135.08060	9.5
135.11722	11.1
137.09578	3.1
139.11191	3.5
141.06935	3.0
142.07797	2.3
143.08592	4.8
145.10123	22.3
147.08064	9.2
147.11702	20.2
149.02357	36.3
149.03426	2.2
149.09624	29.6
149.10750	1.9
149.13274	3.4
151.11217	3.2
153.09090	2.0
155.08543	1.5
157.10146	15.1
159.08226	1.8
159.11722	9.1
161.09698	3.9
161.13298	3.8
163.11191	22.6
165.09224	2.5
165.12802	6.1
169.10190	3.1
171.10255	1.4
171.11723	2.6
173.09610	1.9
173.11824	1.9
173.13312	3.8
175.11179	13.3
177.12781	5.1
181.12302	2.5
185.13271	2.2
187.11183	3.7
187.14861	1.6
189.11237	10.4
189.12495	1.1
191.10701	2.8
193.04982	13.1
193.12248	31.3
197.13292	2.5
199.14998	1.8
201.12904	1.3
205.12335	4.9
207.13770	1.8
211.13303	45.8
211.15224	2.4
223.13303	51.1
227.12865	4.0
229.19484	3.1
237.15005	1.4
239.18073	2.5
247.20631	2.6
249.15007	2.4
254.73430	1.7
257.19104	5.1
267.15945	36.5
269.17593	4.2
273.18610	5.0
275.20102	53.3
277.21698	1.8
285.17169	5.5
291.19592	9.9
293.21109	37.5
293.24292	2.1
331.22931	1.4
333.24420	1.5
349.23874	10.2
357.24423	1.7
365.23279	2.2
367.24854	9.8
381.26559	1.3
385.09344	4.4
407.77655	1.4
432.31644	1.4
438.73666	1.5
449.30554	1.4
467.31436	2.0
514.14258	1.6
541.35443	7.6
559.36334	37.2
577.13531	21.7
577.37500	100.0
578.13593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
53.03935	5.8
55.01866	13.1
55.05276	2.5
55.05515	38.1
56.71793	1.6
57.03442	13.0
57.07065	4.5
59.04995	1.7
65.03925	5.5
66.65683	1.6
66.67429	1.7
67.05509	68.1
69.03440	11.4
69.07072	24.2
71.05003	8.3
71.25768	3.0
73.02960	1.8
75.91539	1.5
79.05497	66.5
80.67068	1.5
81.03421	28.5
81.07061	100.0
83.04983	21.6
83.08622	29.9
83.61626	1.7
85.02915	11.4
85.06514	4.8
86.09723	1.7
91.05485	49.3
93.07051	57.5
95.04375	3.1
95.04970	40.2
95.07993	1.6
95.08611	30.6
97.06532	15.6
97.10188	16.3
99.04456	5.9
99.08135	2.5
103.05460	2.0
105.06398	2.8
105.07036	33.9
106.30815	1.8
107.04948	9.6
107.08603	43.9
109.02891	2.2
109.06513	13.5
109.10165	17.7
111.04454	19.1
111.08086	12.3
113.05991	6.7
115.05430	2.6
117.07034	14.5
119.08595	33.2
121.06503	9.4
121.10153	27.3
123.08053	22.5
123.11710	5.2
125.05993	3.1
125.09635	18.6
128.06206	3.0
129.07040	9.4
131.08568	20.9
133.06439	1.7
133.10132	21.4
135.08063	9.2
135.11707	17.7
137.06055	2.1
137.09564	4.4
139.11241	2.7
139.12350	1.8
142.07803	2.9
143.08571	6.1
145.06500	2.8
145.10121	18.4
147.08015	8.8
147.11667	14.8
149.09625	15.1
149.13280	16.0
151.07549	2.1
151.08749	1.7
151.11157	3.1
153.09114	3.5
153.12752	6.2
155.08553	3.3
157.08965	2.1
157.10074	9.1
159.11707	13.3
161.09608	5.5
161.13263	5.5
163.11201	19.0
165.09131	3.3
165.12744	3.9
169.10165	3.9
171.10213	2.6
171.11673	6.5
173.09621	4.4
173.13286	2.9
175.11214	6.7
177.12730	5.4
181.10011	1.7
181.12219	9.9
185.13263	3.6
187.11159	2.1
189.11298	16.1
191.10670	6.4
193.12228	11.2
195.13799	7.2
199.11249	1.8
200.42012	1.5
203.14487	2.3
205.12212	2.6
211.13319	12.0
223.13272	19.4
227.12773	17.6
229.14423	2.1
241.19534	3.1
257.19107	3.5
259.20618	9.5
267.15894	13.6
269.17487	29.7
273.18536	16.8
275.20093	18.8
283.15414	3.1
285.16974	3.2
291.19562	45.2
293.21149	10.0
309.20493	2.6
315.23199	3.3
347.22113	4.5
349.23758	4.3
351.25424	13.5
355.22815	2.1
365.23212	13.7
421.30667	1.9
431.29416	3.1
439.27039	2.0
449.30069	3.5
467.31531	5.4
485.32599	7.0
541.35156	11.2
559.36395	40.4
577.37524	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	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
53.56692	2.4
55.01868	16.5
55.05280	2.0
55.05518	30.2
55.19429	1.9
56.35827	2.0
57.03446	16.0
57.07059	3.5
58.80126	2.2
65.03928	5.8
67.05511	97.9
69.03426	5.9
69.07077	28.4
69.25386	6.3
69.25795	12.6
70.06578	8.2
71.04992	8.1
77.03973	2.0
78.08090	2.1
79.05497	93.8
81.03419	16.6
81.06596	4.6
81.07063	91.4
83.04988	24.5
83.08622	15.8
85.02902	3.4
85.06558	9.8
86.09225	2.9
86.09712	37.6
87.10027	3.5
89.85707	1.9
91.05486	94.4
93.07051	100.0
95.01402	2.5
95.04970	28.1
95.08614	48.2
97.02898	3.1
97.06544	17.7
97.10168	6.5
99.04455	4.2
99.08081	6.6
103.05445	2.6
105.04503	2.8
105.07037	76.9
107.04962	37.3
107.08600	54.7
109.06485	9.5
109.10159	22.0
111.04448	28.9
111.08070	16.6
115.05483	5.0
117.06236	2.8
117.07016	33.5
119.08587	81.6
119.59835	2.0
121.06496	8.4
121.09341	4.0
121.10156	59.2
123.08060	8.6
123.11701	6.8
125.06003	5.2
125.09626	7.2
128.06247	5.3
129.05522	3.9
129.07001	21.8
130.07838	3.1
131.04877	3.4
131.08568	47.3
133.06448	2.9
133.10141	54.2
135.08061	8.2
135.10718	2.8
135.11710	48.3
137.06018	2.5
137.09604	5.2
139.11206	2.6
142.07698	2.8
143.08553	16.7
145.06464	8.2
145.10135	59.3
147.08032	6.8
147.11693	47.7
149.09598	13.6
149.13260	14.5
151.11151	4.8
153.06970	2.3
153.09116	2.1
153.12727	12.3
155.08536	10.2
157.10153	15.8
159.07886	2.3
159.11713	27.3
161.09645	3.8
161.13287	40.9
163.11201	47.0
163.14844	4.3
165.09109	2.7
167.08444	2.8
169.10152	4.9
171.11693	19.5
173.09634	23.2
173.13211	18.4
175.11206	6.7
175.14845	21.3
177.12683	4.5
181.10184	2.3
181.12257	20.3
183.11717	5.1
185.13255	12.6
187.14781	5.2
189.11253	4.2
191.10677	26.6
191.48337	2.2
193.12251	4.4
195.11685	2.5
195.13728	2.3
197.13184	3.6
199.14842	7.3
209.11644	11.2
213.16409	2.3
215.18039	3.0
217.19495	4.0
219.34526	2.1
223.07909	2.1
223.13016	2.6
227.12746	20.2
231.17413	2.9
231.21098	9.4
233.15527	2.5
239.14516	2.2
239.18015	3.7
241.19521	44.2
243.21092	3.6
257.19031	8.1
259.20593	80.9
261.22092	3.3
265.14377	28.4
267.15982	3.0
269.17456	6.8
273.18542	5.4
275.20056	15.9
277.21643	12.0
283.15402	55.4
289.17798	2.0
291.19547	7.5
299.14886	6.5
301.16473	48.0
313.21759	2.5
315.23166	9.8
333.24225	56.1
335.25790	7.1
349.23743	2.3
351.25351	3.7
351.48450	2.3
362.81201	2.1
365.23724	2.6
421.31009	3.0
440.62134	2.6
449.30368	7.6
467.31644	5.5
485.32700	4.1
513.35913	13.2
515.37469	2.8
523.33923	8.3
531.36420	2.7
541.35242	41.8
559.36389	36.4
560.50391	2.4
577.38000	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	577.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.9
55.01870	4.0
55.05516	23.9
57.03430	7.6
57.07060	11.5
60.04512	3.1
62.93522	3.5
67.05506	31.7
69.03436	22.1
69.07069	47.0
70.06603	22.5
71.03178	7.8
71.04996	7.5
71.08634	4.4
72.08145	3.8
73.02907	4.3
76.23233	2.8
79.05488	14.2
81.03414	22.9
81.06596	5.3
81.07062	100.0
83.08626	27.2
84.08126	11.7
85.02911	48.0
85.06534	13.0
86.09692	10.9
87.00838	22.6
91.05472	11.6
93.07052	16.5
95.04969	7.2
95.08611	86.4
96.93394	2.9
97.02888	14.5
97.06523	3.8
97.10176	17.5
99.04468	7.7
99.08087	9.7
101.32790	3.0
105.01856	20.9
105.07012	10.3
107.08595	27.5
109.02884	15.8
109.06493	4.8
109.10152	53.4
111.04463	4.0
111.08077	3.8
111.11712	10.1
119.08546	7.7
121.10136	13.3
123.04476	4.5
123.11723	29.8
125.09649	3.7
125.13269	7.7
127.03908	29.5
127.11178	5.0
129.10252	6.5
131.08537	6.9
133.10136	5.8
135.11678	11.2
137.13274	15.3
145.04945	11.5
145.10088	5.9
149.13275	20.7
151.14781	25.2
163.14818	11.3
165.16365	7.6
173.09714	4.1
177.16316	4.6
179.17871	5.9
191.17905	4.8
231.05046	9.1
245.07925	3.7
275.09164	8.5
275.20035	4.2
275.27322	14.7
276.09506	9.3
281.28384	5.8
293.28470	17.7
311.29428	12.2
381.22940	5.6
401.30487	5.2
505.22986	3.5
551.02100	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.01868	5.1
55.05516	17.1
57.03440	7.0
57.07076	2.2
58.84115	1.1
62.13988	1.3
65.03934	3.1
67.05507	40.6
69.03436	8.1
69.07071	13.8
70.06593	2.0
71.04987	4.1
71.52360	1.8
73.02924	6.5
79.05493	50.2
81.03431	12.5
81.06591	2.5
81.07059	41.5
83.04990	5.9
83.08613	10.0
84.08155	2.5
85.02917	10.1
85.06535	3.9
91.05483	46.5
93.07047	57.9
95.04969	12.9
95.08611	32.4
95.49873	1.2
97.02892	4.1
97.06539	7.1
97.10170	3.7
99.04440	3.3
105.04533	2.1
105.07037	48.3
107.04926	3.1
107.08598	36.5
109.02891	12.9
109.06509	2.6
109.10169	11.1
110.03662	3.5
111.04441	9.8
111.08072	4.7
113.09599	1.3
115.05453	1.5
117.07013	14.7
119.08580	36.9
119.36030	1.4
121.06512	3.5
121.09334	2.2
121.10147	28.1
123.04418	1.6
123.08069	5.0
123.11719	2.3
125.09619	3.9
127.03918	5.9
128.06236	1.6
129.07007	7.7
131.08577	20.8
132.99539	1.8
133.06476	1.4
133.10144	34.0
135.08067	4.6
135.11685	26.3
137.09613	2.8
141.07056	1.9
142.07787	2.1
143.08565	9.9
143.72482	1.5
145.00392	1.3
145.10138	17.7
147.08113	3.0
147.11697	31.3
149.09648	5.7
149.13255	14.9
151.11133	2.1
155.08551	2.6
157.10112	9.9
159.11690	15.5
161.09599	2.5
161.13271	22.3
163.11235	6.6
163.14865	4.8
165.12762	2.2
168.09296	1.2
169.10118	1.4
171.11685	10.4
173.13274	8.0
175.11192	4.4
175.14851	9.4
177.12785	2.9
181.12212	2.3
183.11588	1.5
185.13275	9.6
187.11090	1.7
187.14830	2.8
189.12775	2.1
189.36909	1.3
191.00151	4.9
191.14412	1.4
193.12244	5.0
195.13800	1.5
197.13321	1.4
199.14787	5.4
203.14273	2.3
211.13287	3.0
213.16415	2.8
217.15956	1.6
217.19572	2.4
223.13281	2.3
227.12834	2.7
231.17368	2.4
231.21129	7.5
241.19514	23.4
247.20589	1.4
257.18823	1.8
259.20587	67.6
267.15860	4.5
269.17520	3.6
271.20923	1.7
273.18527	3.3
275.20181	6.1
277.21744	7.8
291.19452	4.8
293.21048	2.5
301.21448	2.4
333.24252	11.3
349.23572	3.9
351.25323	100.0
375.25385	3.4
441.26294	2.4
449.20175	1.7
467.20892	2.2
467.31683	1.6
485.22095	2.4
541.35199	2.1
559.25610	5.3
559.36310	5.9
577.27222	2.1
577.36896	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	575.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	4.3
53.03942	11.4
54.44736	3.3
55.01879	15.7
55.05513	48.9
57.03431	12.4
57.07072	4.7
59.04994	3.7
65.03931	3.6
67.05507	92.5
69.03429	7.1
69.07078	36.2
71.04977	11.0
71.08615	3.5
79.05498	83.8
81.03409	12.9
81.07062	100.0
83.04993	15.7
83.08624	28.1
85.02901	3.6
85.06541	6.0
91.04910	4.1
91.05482	81.5
92.43195	3.1
93.07044	85.3
95.04980	20.0
95.08608	49.7
97.02901	5.0
97.06530	19.7
97.10164	20.0
98.21590	4.8
99.00846	6.7
99.04460	3.5
99.08072	4.3
105.07037	73.4
107.04949	18.3
107.08595	52.4
109.02896	14.7
109.06517	12.3
109.10152	23.8
111.04424	9.4
111.08090	8.7
115.05460	5.6
117.07018	31.6
119.04910	3.2
119.08595	61.6
120.44385	3.0
121.06498	11.9
121.10162	27.6
123.04439	4.5
123.08070	8.5
123.11668	5.4
125.09605	21.1
127.66862	3.2
128.06239	6.7
129.07005	19.9
130.07709	3.1
131.08560	38.0
133.06476	6.7
133.10143	65.6
135.08055	14.9
135.11697	18.0
135.27953	2.8
137.09648	5.7
141.07019	7.3
143.08565	27.8
144.09334	3.3
145.06461	6.4
145.10126	36.2
147.08038	5.7
147.11713	31.9
149.09621	8.3
149.13254	11.5
151.11163	8.0
153.09119	4.1
153.12721	4.8
155.08536	8.6
157.10069	20.4
159.08040	5.7
159.11717	30.6
161.09602	21.1
161.13281	24.4
162.77945	3.3
163.07582	6.5
163.11157	11.4
169.10130	13.1
169.30032	3.1
171.08066	7.0
171.11690	21.5
173.09587	4.9
173.13274	11.8
175.14792	12.6
175.16119	3.0
177.12701	6.6
179.10703	6.5
181.10083	4.3
181.12256	5.2
183.11703	5.7
185.09676	4.3
185.13295	13.8
187.11200	4.6
187.14824	6.5
189.09142	7.9
189.11185	11.6
189.12714	4.2
191.10760	4.2
193.10146	2.8
193.12251	8.9
195.11739	3.3
195.13753	6.0
197.13315	7.4
199.11212	4.6
199.14931	4.5
209.11623	4.8
211.11304	3.5
211.13275	3.6
223.14839	3.5
225.11226	10.0
225.16394	3.7
227.12808	10.4
239.17831	4.6
241.19501	13.9
257.19040	8.3
259.20551	49.6
261.18686	4.4
269.17307	4.6
271.17151	4.5
273.18515	4.1
275.20081	28.6
277.21747	4.0
283.15405	7.8
285.22018	7.1
287.20224	3.2
289.17960	14.7
289.66763	2.7
291.19696	6.1
291.31104	2.8
299.14923	31.8
309.18317	3.1
313.21677	14.2
315.23221	4.2
331.22763	3.9
333.24295	22.9
334.95139	3.2
349.23636	4.7
363.21506	4.7
419.29535	10.1
424.26456	4.2
437.30368	9.3
447.28812	10.0
455.31830	5.0
465.30002	31.0
483.31287	25.8
501.32422	4.1
511.34283	11.7
513.35229	8.0
521.32550	4.2
529.35431	19.4
539.33746	70.9
557.34741	75.0
575.35944	73.2
575.50043	6.3
600.50922	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	575.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96466	1.5
53.03939	9.1
54.97610	1.4
55.01873	18.0
55.05519	45.2
57.03437	13.2
59.05000	2.5
65.03934	5.9
67.05512	65.9
69.03447	9.8
69.07075	23.2
70.06595	2.0
70.21613	6.0
71.04990	7.8
73.02888	2.6
74.95006	1.5
79.05499	66.7
81.03428	73.6
81.07063	100.0
83.04988	23.7
83.08147	2.7
83.08623	32.7
85.02915	19.6
85.06544	3.8
88.70816	1.5
91.05490	61.5
93.07053	55.2
93.07617	1.1
95.04974	42.8
95.08626	25.3
97.02911	5.9
97.06551	13.1
97.10175	24.5
98.21475	1.7
99.04501	2.9
99.08144	2.7
103.05509	3.5
105.07040	44.5
105.28246	1.6
107.04981	19.2
107.08607	32.8
109.06533	19.5
109.10164	19.6
111.04457	18.5
111.08098	14.9
113.06035	2.6
115.05453	4.4
117.07019	22.1
119.04912	2.1
119.08592	50.1
121.06525	15.4
121.10148	20.3
123.04416	2.0
123.08080	23.2
123.11732	4.4
125.05972	1.4
125.09641	17.6
127.03928	2.7
128.06282	3.1
129.05524	2.2
129.07030	21.3
130.07790	1.5
131.04951	3.1
131.08574	30.4
133.06480	8.5
133.10146	20.3
135.07178	2.2
135.08049	10.8
135.11705	12.4
137.05978	2.6
137.09659	5.9
141.06992	3.9
142.07817	6.0
143.08572	11.0
145.06557	9.9
145.10143	24.5
147.08075	19.5
147.11697	18.0
149.06050	2.1
149.09639	11.5
149.13315	3.7
151.07579	3.6
151.11249	2.0
153.09117	4.1
153.12773	6.3
155.08585	2.9
157.06538	2.9
157.10147	17.0
159.08119	5.3
159.11700	8.8
161.09630	14.1
161.13248	2.6
163.07683	2.5
163.11176	21.0
165.09149	4.3
165.12785	3.0
167.08647	3.1
169.10199	5.1
171.08083	2.6
171.11705	5.8
173.09700	7.3
173.13333	3.8
175.11168	14.3
177.12811	4.1
181.10138	2.8
181.12277	7.1
183.11777	4.5
185.09618	2.2
185.13292	3.4
187.11234	3.3
189.09520	2.5
189.11264	16.2
189.12801	3.5
191.09177	1.5
191.10709	9.1
193.12259	31.9
195.11761	4.2
195.14084	1.9
197.13266	3.2
199.11145	2.1
199.14777	3.6
201.12798	2.5
203.14534	2.3
205.12236	2.3
207.11685	2.1
209.11765	1.9
211.11331	3.6
211.13283	34.1
213.12787	2.5
219.13908	3.8
223.13365	5.3
227.12799	17.6
227.14644	1.8
245.19107	4.5
249.14885	5.7
255.17609	4.3
259.17239	1.7
265.14423	4.3
267.15909	26.8
269.17603	2.0
273.15503	3.1
273.18521	50.7
275.20099	10.1
283.15521	4.9
285.17001	12.2
289.18094	2.6
291.19565	49.4
295.27429	1.7
309.20731	2.1
311.20139	2.0
313.21832	5.5
315.19830	3.0
329.21280	5.9
331.22974	1.9
333.20639	2.2
347.22205	14.7
349.23831	2.3
350.24191	6.0
365.23325	11.2
385.23727	3.1
386.09738	2.7
387.25882	1.7
419.29660	2.0
429.28320	2.2
447.28613	6.5
465.29776	9.4
483.31110	15.1
493.27856	2.8
501.32428	4.1
529.35394	2.2
539.33887	14.5
557.26068	2.8
557.34778	59.0
575.35876	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01872	2.3
55.05505	3.6
57.03458	1.5
64.14014	1.1
67.05500	5.6
69.07077	5.5
70.06593	2.2
71.13297	2.1
79.05485	6.5
81.03393	1.2
81.07041	6.4
83.04987	2.7
83.08620	2.4
84.08119	1.4
85.02894	2.1
86.09701	1.6
91.05499	7.3
93.07042	8.5
95.08614	3.9
105.07033	6.9
107.04900	1.5
107.08602	4.5
109.06524	3.1
109.10155	1.7
117.07050	1.2
119.08576	3.7
121.06519	3.6
121.10142	2.8
130.38133	1.2
131.08554	3.6
133.10159	5.5
135.08040	3.2
135.11725	1.5
138.62772	1.2
145.10150	5.0
147.11678	4.4
149.02324	1.4
149.09613	1.9
151.11133	1.3
152.57063	1.3
159.11710	3.3
161.09695	1.4
163.11192	3.6
171.11745	1.2
192.45816	1.3
219.13916	1.6
229.19643	1.3
233.56137	1.0
242.15848	1.3
247.20580	1.5
257.19083	3.3
275.20071	24.0
293.21112	3.2
294.96417	1.4
349.23749	100.0
350.90366	1.4
367.24817	31.6
367.29395	1.9
385.08902	1.7
574.34479	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	573.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
53.03947	6.0
55.01875	45.4
55.05515	20.7
57.03440	7.4
57.07067	3.3
65.03952	4.0
66.04730	0.9
67.05508	48.6
69.03419	1.4
69.07072	27.6
69.35533	5.1
69.35944	1.1
71.04985	2.9
71.08630	2.6
73.06552	1.2
78.19402	0.7
79.05498	49.6
81.03419	8.2
81.07060	50.8
83.04991	11.9
83.08618	9.9
85.02885	0.9
85.06543	1.7
85.10168	1.1
91.05486	62.8
93.07046	50.2
95.01318	4.7
95.04972	15.1
95.08612	32.5
97.06534	72.8
97.10168	5.2
98.98469	2.9
99.08096	2.1
103.05444	2.2
105.04504	1.7
105.07036	68.7
107.04964	22.4
107.08593	19.9
109.02834	1.1
109.06522	7.3
109.10165	11.2
111.04481	0.8
111.08089	2.7
115.05457	2.5
117.07021	14.0
119.08583	36.9
121.06511	6.2
121.10146	9.0
123.04425	1.7
123.08053	6.9
123.11710	2.1
125.09621	2.2
128.06221	1.9
129.07002	11.3
130.07794	1.4
131.08577	15.2
133.06490	2.2
133.09119	1.4
133.10135	29.3
135.08034	4.1
135.11700	7.6
137.09595	4.3
139.07564	2.7
141.06985	2.4
142.99626	0.9
143.08580	8.0
145.06526	1.7
145.10129	19.0
147.08066	2.8
147.11697	26.8
147.25591	0.9
149.09622	16.6
149.13268	2.5
151.11188	3.5
155.01067	1.7
155.08607	1.8
157.10124	3.0
159.08177	1.0
159.10420	1.4
159.11697	10.6
161.09644	2.8
161.13274	10.5
163.11168	9.8
165.09117	3.3
165.12828	1.0
169.10161	2.4
171.11691	14.5
173.09485	1.5
173.13306	5.5
175.11317	1.3
177.12755	4.1
179.14326	12.1
183.11720	1.6
185.13268	1.0
187.11212	3.0
187.14793	1.6
187.37431	0.7
189.12750	7.0
193.12291	0.9
195.13812	1.1
197.13208	1.1
201.16280	0.8
205.12259	2.1
207.13785	11.0
213.16409	0.8
215.14400	0.9
215.17867	0.9
217.15907	0.8
219.13753	1.0
219.17499	2.2
223.13243	1.0
227.12860	1.1
229.19582	3.0
233.15311	1.0
233.18855	1.2
239.17946	2.4
241.14235	0.9
247.20515	4.7
252.77650	0.8
257.19046	8.1
275.20065	100.0
276.20496	1.4
279.15912	4.1
281.17480	50.8
293.21121	10.5
313.27356	11.2
345.53809	0.8
349.23734	28.3
377.23361	2.1
459.30804	1.6
537.35345	1.8
555.36847	62.5
556.37341	1.1
573.38196	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	573.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03950	8.3
53.10390	1.2
55.01877	10.8
55.05515	49.4
57.03446	8.2
57.07071	3.0
57.61035	1.2
58.41236	1.2
65.03937	6.9
67.05511	78.9
69.03434	2.9
69.07074	26.6
70.57399	1.4
70.57751	2.6
71.04999	7.6
73.06553	2.1
79.05502	100.0
81.03425	14.6
81.07064	80.4
83.04987	24.0
83.08624	32.8
85.02919	4.5
85.06564	5.2
91.05489	85.5
93.07051	86.1
95.04976	65.1
95.08612	46.5
97.02880	1.5
97.06538	10.0
97.10184	10.5
99.04478	6.5
99.08051	1.3
103.05499	1.3
105.04539	4.5
105.07041	63.1
107.04971	19.6
107.08601	40.5
109.06528	14.7
109.10160	15.3
111.04456	10.8
111.08076	6.7
112.53883	1.5
115.05479	3.5
117.07030	20.7
119.08588	45.3
121.06532	8.7
121.10153	23.0
123.08086	11.6
123.11747	3.8
125.06053	1.7
125.09641	9.6
127.07615	1.8
128.06233	3.9
129.07013	21.0
129.07915	1.5
130.07817	1.7
131.08594	20.7
132.09293	1.3
133.06523	1.7
133.10141	23.5
135.08051	6.8
135.11736	8.9
137.09644	5.0
139.07594	1.2
139.11212	2.8
141.07040	1.6
142.07866	1.8
143.08574	10.7
145.06560	1.2
145.10138	28.1
147.08093	6.8
147.11700	37.8
149.09625	22.4
149.10744	1.5
149.13306	2.3
151.11162	1.9
153.09123	2.7
153.12794	2.7
155.08597	2.6
157.10194	4.0
159.11696	8.5
161.09682	6.9
161.13258	16.0
163.11201	26.4
163.14816	1.6
165.12820	5.2
167.10768	2.0
169.10185	3.8
171.10278	1.3
171.11687	27.2
173.09653	2.4
173.13322	3.7
175.11258	2.6
175.14897	1.6
177.12814	3.9
181.12289	1.7
183.11690	1.6
187.11249	3.6
187.14973	1.8
189.11246	8.0
189.12831	11.9
191.10715	1.7
191.14359	1.5
193.12291	2.7
197.13319	2.8
199.14859	1.3
205.12299	5.4
207.13814	25.3
212.13737	1.3
215.17821	1.5
223.13315	40.1
223.15457	2.2
225.15039	1.3
227.12924	4.3
229.19620	3.1
239.18114	3.6
247.20561	2.4
257.18948	8.6
273.18610	2.1
275.20084	66.9
279.15924	2.3
281.17499	35.3
281.20297	2.0
293.21115	24.1
311.22260	1.9
331.22607	2.5
334.50308	1.3
349.23770	24.2
367.25281	2.4
445.29797	1.5
555.36871	43.4
564.63129	1.6
573.38000	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.2
53.03944	10.2
55.01877	18.6
55.05517	36.4
57.03448	8.9
57.07060	1.5
61.87928	1.1
62.16781	1.1
62.42099	1.2
65.03921	4.7
67.05510	86.2
69.03411	4.8
69.07073	26.8
70.05779	5.9
71.04977	4.6
72.31523	1.2
77.03923	1.6
79.05500	97.6
81.03431	10.3
81.07061	100.0
83.04995	18.1
83.08630	16.3
84.51429	1.1
85.06534	4.8
86.09699	2.7
91.04897	2.5
91.05488	78.7
93.07050	82.9
95.04975	22.3
95.08614	46.9
97.06541	23.3
97.10184	11.3
99.08067	1.8
103.05463	2.8
105.04527	4.2
105.07038	75.0
107.04965	24.6
107.08601	41.3
109.06529	19.3
109.10162	21.3
111.04469	2.3
111.08083	5.3
115.05463	2.3
117.07028	19.8
119.08593	46.7
121.06494	7.2
121.10152	18.6
123.08075	9.3
123.11758	6.5
125.09623	8.1
128.06201	3.7
129.07011	14.5
130.07780	1.7
131.08574	20.6
133.06499	2.5
133.10130	30.0
135.08054	8.8
135.11700	10.5
137.09613	5.5
137.13223	1.6
141.06976	3.9
143.08563	15.4
145.06464	2.6
145.10129	30.9
147.08035	5.1
147.11697	44.6
149.09642	19.4
149.13263	3.7
151.11154	2.5
153.09123	1.4
155.08536	4.8
157.10123	6.6
159.11685	14.0
161.09616	7.1
161.13263	13.2
163.11209	14.7
165.12785	2.8
169.10144	4.3
171.08028	1.4
171.10306	1.7
171.11713	28.4
173.09613	1.5
173.13251	4.9
175.11182	3.1
175.14745	1.8
177.12692	4.1
179.14319	3.3
183.11682	4.9
184.07481	6.3
185.13263	2.6
187.11201	1.4
189.11171	3.6
189.12752	12.0
197.13235	2.7
199.14946	1.8
201.12767	2.6
205.12151	2.7
207.13840	24.7
215.14188	1.5
225.14877	3.0
227.12733	12.3
229.19566	3.9
233.19119	1.6
239.18080	6.4
247.20552	4.7
247.50624	1.3
257.19031	15.0
267.16025	1.9
273.12790	1.3
273.18387	3.6
275.20084	98.5
279.15982	1.9
281.17502	52.5
283.15384	1.6
291.19427	1.9
293.21191	7.8
313.21680	1.8
349.23776	32.7
377.23093	1.8
436.81668	1.5
451.17303	1.4
451.26575	2.0
459.30634	1.8
537.35663	2.9
555.36938	52.1
573.38245	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	573.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62378	1.0
51.02373	1.1
53.03944	6.2
53.79732	0.9
55.01874	43.1
55.05511	17.9
57.03434	6.5
57.07076	5.9
59.04995	0.9
63.79582	0.9
65.03941	3.8
66.71989	1.0
67.05505	49.9
69.07072	26.4
71.04991	1.5
71.08634	2.2
73.06583	1.3
79.05493	52.3
81.03416	9.0
81.07057	51.5
83.04984	10.6
83.08622	8.0
83.90336	0.9
85.02894	0.9
85.06528	2.1
85.10170	1.2
91.05482	59.9
93.07043	47.9
93.07932	1.2
95.01328	5.5
95.04973	16.8
95.08608	32.2
97.06529	68.3
97.10152	4.6
98.98458	3.4
99.08117	1.2
103.05479	2.0
104.62025	1.0
105.04520	3.0
105.07032	64.4
107.04955	20.1
107.08587	19.0
109.06517	7.5
109.10154	8.0
111.08090	2.4
113.06017	1.1
117.07012	16.3
119.08587	30.9
121.06514	3.3
121.10143	9.6
123.04425	1.9
123.08055	4.6
123.11684	2.6
125.09623	2.7
128.06215	1.7
129.06995	10.2
130.07813	1.7
131.08582	17.1
133.06508	1.8
133.10133	27.8
135.08060	3.9
135.11687	7.4
137.09618	3.7
139.07553	3.2
141.07010	2.6
141.09161	1.0
143.08539	6.5
145.06416	1.0
145.10138	15.2
147.08086	2.4
147.11688	26.8
149.09613	16.3
149.13251	3.3
151.11147	4.6
155.01033	3.5
155.08571	1.4
157.10153	3.0
159.08144	1.6
159.11693	11.2
161.09647	2.9
161.13261	9.7
163.11171	9.3
165.09114	1.9
169.10175	2.3
171.11665	14.1
173.13274	4.1
175.11223	1.0
177.12762	3.6
179.14314	10.8
183.11688	3.2
187.11189	3.4
189.12721	6.6
197.13312	2.0
207.13799	12.3
223.13336	1.0
229.19505	2.6
239.17894	2.7
247.20662	4.6
257.18872	5.5
258.19342	0.9
259.20416	1.1
263.16293	1.1
267.15958	1.1
275.20062	100.0
279.15918	2.9
281.17468	45.1
293.21082	10.3
313.27380	12.6
349.23697	26.4
377.23126	2.1
401.29507	1.1
459.31140	2.0
537.35809	2.1
555.36804	74.5
573.28247	1.4
573.37787	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	572.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05524	4.2
57.03437	0.7
57.07079	27.4
59.05005	0.7
66.38136	0.5
67.05522	3.2
67.65242	0.6
68.14250	0.5
69.07067	1.6
70.71030	1.1
71.08637	26.6
72.94334	0.5
73.06559	8.2
77.15376	0.6
79.05502	4.4
80.05849	0.7
80.11147	0.5
81.07075	3.9
82.07405	0.6
83.04979	1.0
83.08622	4.1
85.10190	26.1
87.04481	7.0
89.06037	100.0
91.05489	4.5
91.07602	0.7
92.05818	0.8
93.07055	3.7
94.07381	1.1
95.04961	1.2
95.08617	2.4
97.06550	1.0
97.10177	1.5
99.11758	3.0
102.23433	0.5
105.07059	2.7
106.07345	0.9
107.04936	0.6
107.07061	1.7
107.08608	1.9
117.07047	1.3
117.09132	7.7
119.08551	1.3
121.06499	0.7
121.10184	0.7
129.67406	0.5
130.08681	2.4
131.07053	1.3
131.08598	1.5
132.08896	0.7
133.08614	48.5
134.10535	0.5
135.08083	1.0
135.10133	1.0
141.16368	4.7
145.10130	1.5
147.11682	0.8
148.11996	0.8
149.09586	1.0
151.09756	0.6
152.01369	0.6
161.11749	1.3
171.11633	0.6
175.09732	1.2
177.11238	22.6
179.12775	1.0
181.09816	0.5
185.19031	6.4
200.14078	0.5
204.14885	0.5
207.13875	0.6
221.13857	6.0
226.21719	1.5
229.21623	13.1
229.23831	0.9
239.14890	0.9
262.02771	0.6
265.16428	1.2
273.18594	1.2
273.24249	7.5
274.18835	1.1
281.17679	1.1
283.17593	1.4
291.19620	1.1
292.20261	1.1
309.19247	1.0
327.20108	1.4
347.21979	0.6
348.22787	0.7
353.21643	0.9
371.22943	1.7
379.30722	0.8
415.25424	4.6
423.33173	0.9
467.35815	0.7
511.38931	1.1
554.35413	1.1
555.41132	12.5
572.36383	4.4
572.44574	3.5
591.78693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
54.39169	0.6
55.01876	3.1
55.05514	11.8
56.05033	0.7
57.03454	3.2
57.07088	4.1
59.05011	1.5
60.04527	0.8
61.02921	1.2
61.65798	0.6
67.05510	8.5
68.04226	0.6
68.99795	1.5
69.03434	16.0
69.07072	100.0
70.06600	6.4
71.05000	2.8
71.08645	1.0
72.08154	3.3
73.02921	2.2
79.05509	4.4
81.03422	15.2
81.07066	27.8
83.04987	1.3
83.06103	0.8
83.08631	6.2
84.04515	1.3
84.08142	5.4
85.02913	22.4
85.06538	3.0
86.09710	5.5
87.00834	9.4
87.05593	1.0
89.41832	0.6
91.03986	0.8
91.05484	5.5
93.07048	10.3
95.04966	1.6
95.08614	27.2
97.02901	8.4
97.06534	4.7
97.10155	3.4
99.04453	4.2
99.08106	2.8
103.05437	0.8
105.01878	5.2
105.07028	6.7
106.34785	0.7
107.04970	1.1
107.08588	9.6
109.02883	15.0
109.06569	1.6
109.10167	11.9
110.07220	2.0
111.08135	1.3
111.11728	32.5
116.98639	0.7
117.01856	1.1
117.07027	1.1
119.08593	6.8
120.08095	3.2
121.10165	9.1
123.04458	0.7
123.08083	1.6
123.11722	10.3
125.09643	0.9
125.13275	0.7
127.02982	1.1
127.03926	21.5
127.08646	0.7
127.11209	3.3
129.01857	1.9
129.06999	0.8
129.10257	2.6
129.12799	2.4
130.96519	0.7
131.08594	1.9
133.10167	3.0
135.08171	0.8
135.11719	6.2
136.07639	1.8
137.06047	0.9
137.09663	0.9
137.13316	2.2
139.11191	33.0
139.60333	0.6
141.12773	0.8
143.08551	1.3
145.04976	4.2
145.10138	3.4
147.11650	3.3
149.13269	5.8
151.11166	1.3
151.14848	6.5
153.12794	0.9
155.10641	1.0
157.12257	12.6
157.13377	0.6
159.02911	4.9
159.11720	4.6
161.09743	0.9
161.13264	4.7
163.14888	2.7
165.12790	3.6
167.14392	1.3
171.11761	0.8
173.13290	2.5
175.14854	2.1
177.16389	1.1
179.14352	1.5
187.14888	1.8
189.12871	0.8
189.16420	1.1
191.17947	0.7
201.16377	0.7
203.14435	0.8
203.17972	1.0
213.04008	1.4
213.12813	0.9
215.17993	1.5
231.05078	3.4
237.18605	1.1
239.46519	0.6
246.92398	0.7
261.25534	0.8
263.23727	4.4
271.24298	1.4
276.09711	0.6
277.25375	0.8
281.24963	0.7
289.25250	8.3
295.26328	10.8
307.26340	49.9
319.26340	1.3
325.27380	41.4
397.27206	0.8
415.28940	1.2
433.29593	1.0
519.29852	1.5
537.31213	1.3
555.31964	2.6
573.32312	2.1
582.03558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13132	1.1
52.73343	1.1
53.03936	2.5
55.01866	10.2
55.05515	2.9
56.05025	1.4
57.03431	2.7
57.07083	5.2
59.05000	1.4
60.04519	1.2
65.03938	2.2
66.78165	1.3
67.05499	6.6
69.03088	1.1
69.03431	11.4
69.07064	10.1
70.02943	3.1
70.06597	11.6
71.04977	3.3
71.08900	1.3
71.09252	1.5
72.04518	18.4
72.08153	2.3
73.02918	11.7
74.00636	1.0
74.02398	1.2
74.06052	1.6
79.05486	3.0
81.03415	16.3
81.07047	3.3
83.04986	6.3
83.81084	1.2
84.04504	2.7
84.08144	7.3
85.02911	10.4
85.06536	5.4
86.06092	1.1
86.09708	9.3
87.05568	1.4
87.08112	2.3
90.05557	39.8
91.05482	11.7
93.07032	4.9
95.04973	9.2
95.08591	2.8
96.08086	2.8
97.02886	10.1
98.02411	17.3
99.04450	5.9
100.03968	4.8
102.05533	1.3
103.07569	3.7
105.07042	6.9
107.04939	3.0
107.08611	13.5
109.02882	23.5
109.06519	3.7
109.10155	5.8
110.07119	6.3
111.04487	1.2
112.07587	2.0
113.06014	6.3
114.09151	1.4
115.05479	1.1
116.03454	18.2
117.06994	3.0
119.04964	2.7
119.08579	4.2
120.05393	1.1
120.08076	3.2
121.06554	1.0
121.10147	11.1
122.07289	8.1
123.08017	1.6
124.07598	24.1
127.03919	19.0
129.10239	4.3
130.08670	1.3
131.07079	1.3
131.08548	2.3
132.06580	10.5
133.10135	81.1
135.08022	8.1
136.07555	7.7
137.05998	10.8
137.09618	56.9
138.05460	1.6
142.08635	17.7
145.04979	9.0
147.11626	1.6
149.13260	5.8
151.07552	2.0
156.10133	1.3
160.09674	5.0
163.14798	1.4
166.08617	2.9
172.09673	4.2
173.13251	3.0
174.11275	5.7
175.07503	1.4
181.04956	4.8
184.09692	32.5
187.06035	3.4
187.07599	1.6
191.14299	8.7
198.07680	3.1
199.06111	7.7
202.10745	80.6
205.07071	1.7
211.09717	6.4
216.08691	6.0
217.07101	7.1
220.11819	25.2
222.55666	1.1
230.10257	10.5
234.09734	16.7
244.11835	3.8
252.10648	2.4
253.65460	1.1
262.12866	15.0
310.12778	8.7
328.13904	81.7
335.12457	1.2
346.14954	24.5
364.16016	100.0
368.51541	1.3
382.17148	2.9
424.23196	1.4
442.24353	20.2
470.09595	1.2
535.82458	1.4
554.29504	18.3
572.09003	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	571.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56411	2.6
53.03934	6.8
55.01865	7.8
55.05318	2.8
55.05518	29.4
56.99068	2.5
57.03427	12.2
57.07056	3.4
65.03938	5.6
65.72904	2.7
67.05507	72.7
69.03435	3.2
69.07069	25.0
71.04983	11.2
79.05080	4.6
79.05501	65.5
81.03430	7.5
81.06591	4.6
81.07064	76.6
83.04962	13.0
83.08628	16.9
85.02896	2.7
85.06539	4.9
91.04911	3.5
91.05484	75.6
93.07051	77.1
95.04979	30.2
95.08614	59.8
97.06541	14.0
97.10161	6.2
99.08119	4.0
103.05435	3.6
105.07036	75.3
107.04972	18.1
107.08621	36.4
109.06545	12.6
109.10163	22.3
111.08050	8.6
115.05419	3.1
117.05502	3.7
117.07021	26.2
119.08601	56.3
121.06501	11.0
121.10172	20.9
123.08062	8.3
123.11734	2.8
125.09627	6.0
128.06261	7.3
129.07008	27.7
130.07780	3.5
131.08591	42.0
133.06488	11.3
133.10133	39.8
135.08038	6.7
135.11694	14.8
137.09625	4.0
141.06978	5.6
142.07800	3.8
143.08574	36.6
145.10132	41.7
147.08047	5.3
147.11682	34.0
149.05914	3.5
149.09641	7.2
149.13321	5.4
155.08511	12.6
155.39355	2.6
156.09360	3.4
157.10168	30.2
159.08051	4.9
159.11699	33.5
161.09578	7.4
161.13260	29.5
163.11168	14.4
167.08554	4.8
167.34735	2.9
169.10164	19.2
171.11700	31.7
173.13234	15.2
175.11221	4.1
175.14816	11.8
177.12770	3.0
179.14316	12.1
181.10114	7.2
183.11732	16.1
185.13277	33.9
187.14897	7.5
189.12743	5.0
193.10097	3.2
195.11705	11.4
197.13322	12.7
197.73279	3.1
199.14809	8.3
203.14305	6.7
207.11815	2.9
207.13835	4.6
209.13216	10.1
211.14749	8.7
213.16425	4.8
215.17986	2.8
221.15387	32.3
223.14888	6.1
223.16841	3.7
225.16484	3.9
235.14992	3.1
241.19487	21.4
245.19122	3.6
251.17865	3.0
253.19562	4.6
257.19174	4.3
259.20660	29.4
273.18457	12.0
275.20132	3.7
285.22299	3.2
291.19571	10.3
295.19016	34.9
315.23151	6.4
331.22726	3.5
333.24280	23.8
349.25360	3.9
351.26782	3.5
419.33179	7.3
435.32739	3.7
437.34314	24.3
443.33273	4.6
453.12131	2.8
461.34192	15.7
479.35364	13.8
493.36728	4.5
497.36273	7.1
511.37494	11.3
513.35413	3.6
535.37445	3.9
553.39087	66.8
571.40320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.5
57.07079	51.1
57.58360	0.8
59.05005	0.7
65.31235	0.7
67.05492	3.0
69.06779	0.8
69.07069	8.4
69.18278	1.4
69.18675	6.5
71.08635	51.3
73.06569	5.9
75.58963	0.7
79.05487	2.0
81.07051	2.1
83.08615	3.0
85.10188	34.0
87.04470	4.8
89.06033	100.0
91.05481	1.8
93.07048	1.5
95.08585	1.3
95.99262	0.8
97.10155	2.8
99.11736	6.8
104.21422	0.8
105.07016	1.3
107.07108	0.9
111.11713	4.4
113.13284	6.4
117.09116	6.1
125.13269	2.8
127.14833	4.2
130.08636	2.1
131.07040	1.3
133.08611	66.4
135.10152	1.2
139.14763	0.9
161.11798	1.4
175.09590	1.5
177.11235	29.4
179.12794	1.2
183.21060	1.9
195.12268	1.1
211.00743	0.9
221.13875	8.1
227.23671	2.2
239.14885	2.6
265.16467	2.9
271.26361	7.9
271.29218	1.2
283.17511	3.9
309.18915	0.9
315.28864	7.9
327.20081	2.6
353.21729	1.3
371.22769	17.8
404.39987	0.8
465.37598	1.1
509.40414	1.5
553.43103	26.3
570.45892	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	571.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01863	0.5
65.03614	0.4
65.03943	5.8
67.05501	2.5
69.03422	0.9
71.37417	0.5
81.03403	0.3
82.00570	0.3
82.04220	2.4
85.02442	0.3
85.02911	3.8
93.03409	1.7
95.04960	0.8
97.02898	0.3
97.06518	1.5
108.02109	1.0
110.03653	2.6
111.04393	0.5
114.03164	0.3
123.00809	0.3
125.05984	1.6
134.61107	0.3
137.02310	0.3
138.03116	2.0
142.02605	2.2
153.05450	2.5
170.02171	0.3
171.06529	2.8
181.04958	100.0
182.05269	0.7
216.78375	0.2
245.77347	0.3
299.64227	0.2
327.07068	0.3
373.07510	0.6
481.36652	0.3
584.70697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01879	0.3
65.03616	0.5
65.03943	5.8
67.05505	2.3
69.03428	1.0
70.06580	0.4
71.37318	0.5
79.05497	0.4
81.03391	0.2
82.04190	2.4
84.08102	0.3
85.02913	3.5
87.95957	0.2
93.03413	1.4
95.04961	0.7
97.02888	0.3
97.06541	1.4
104.24355	0.2
108.02078	1.2
109.02875	0.2
110.03668	2.6
111.04433	0.7
123.00775	0.6
125.05991	1.4
137.02313	0.3
138.03146	1.4
140.04669	0.2
142.02621	2.2
144.08133	0.3
153.05464	1.7
160.45557	0.2
170.02106	0.3
171.06528	3.0
172.61481	0.2
181.04959	100.0
182.05333	0.5
219.43866	0.3
327.07135	0.2
373.07660	0.5
504.90823	0.3
561.45697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05021	0.5
57.03416	0.4
57.06833	0.4
57.07079	5.6
58.06584	1.6
65.03952	0.5
67.05492	1.4
69.07057	0.3
69.37344	2.3
70.06599	14.0
71.08643	2.3
77.03929	0.5
79.05481	1.1
81.07049	1.2
83.04971	0.8
83.08643	0.4
85.10193	0.8
88.07639	19.5
91.05476	1.4
93.07047	1.1
94.07339	0.4
95.04963	0.8
95.08617	1.1
102.09191	13.5
105.03401	12.9
105.04111	0.6
105.07026	1.1
107.04974	0.6
107.08564	0.4
109.06519	0.4
109.10175	0.5
117.06989	0.4
129.06993	0.5
131.04919	0.5
145.10098	0.6
149.02370	9.7
149.05992	59.1
159.08049	0.5
171.11728	0.4
175.03926	0.6
181.06503	1.5
193.04987	9.1
212.23772	1.0
219.06595	1.1
256.26367	41.5
290.18472	0.5
297.07596	11.9
332.91553	0.4
341.10217	48.2
363.00388	0.4
570.34290	100.0
571.34393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32243	0.4
55.01859	0.5
55.05498	1.5
56.05026	2.0
57.03462	0.5
58.06598	1.2
59.07393	0.5
60.08171	17.6
60.31564	0.4
67.05513	2.7
69.07071	1.0
69.20664	3.8
70.06591	3.1
71.07372	6.2
71.08627	0.6
72.08160	0.7
77.42195	0.4
79.05504	1.5
81.07051	2.0
83.04987	0.6
83.08608	1.1
84.04505	1.0
84.08144	2.5
84.08578	0.5
85.02910	0.9
86.09710	52.3
91.05489	1.5
93.07034	1.2
95.08585	1.1
97.02901	0.7
98.21535	1.1
98.98463	4.1
104.10750	100.0
105.07058	0.8
107.08615	1.3
109.10136	1.2
110.07191	0.7
112.57298	0.4
119.08581	0.7
120.08124	0.8
121.02908	0.5
121.10226	0.6
125.00013	28.7
125.09689	0.6
127.07534	0.5
128.48090	0.4
129.10210	0.8
136.07600	1.0
147.04471	0.8
157.10077	0.6
184.07349	88.3
207.19267	0.4
258.11035	1.1
313.03424	1.0
331.04572	1.3
412.20947	9.9
412.26099	0.8
434.22974	1.0
452.24088	11.6
516.30908	3.7
534.31891	13.2
552.32935	17.1
570.25592	0.9
570.34167	16.2
571.08972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50496	1.2
53.52204	1.3
55.01868	1.8
55.05512	2.4
56.05033	1.9
57.03442	1.3
65.03932	3.0
65.67733	1.3
69.03429	1.8
70.06596	13.9
71.51900	2.1
72.08150	6.4
73.02897	2.0
74.06070	2.8
76.04029	1.5
79.05471	2.2
84.04497	6.0
84.08162	10.5
85.02900	4.9
86.06020	1.4
86.09708	6.6
89.03925	2.5
91.05489	10.4
95.04935	1.8
97.02889	2.1
99.05537	1.6
102.04670	1.8
102.05535	2.1
103.05450	5.2
105.07028	5.2
107.04981	2.6
110.07153	2.9
115.05460	2.5
117.03379	3.3
117.07017	1.9
119.04977	13.6
119.08640	1.7
120.08109	4.5
122.03672	1.8
124.05212	1.6
129.10236	5.2
130.04128	2.8
130.05014	2.5
131.04944	9.4
133.02866	5.8
133.06476	4.7
135.04420	5.3
136.07607	2.7
137.05983	30.5
145.02840	4.6
145.06432	5.3
147.04402	14.5
148.31921	1.5
149.05956	3.4
150.06781	3.7
151.07616	2.3
153.05432	1.5
158.03603	5.6
159.09293	1.4
161.06006	10.3
162.06764	13.3
163.03906	13.4
163.07567	3.1
167.97562	1.4
173.05978	14.6
175.03940	5.9
177.03252	2.5
177.05469	5.6
177.06873	2.4
179.07057	2.6
181.04935	17.9
186.03116	3.7
189.05444	2.0
193.04962	3.1
201.05475	100.0
203.06915	1.6
205.06491	4.3
207.06422	1.6
213.05443	2.4
219.06509	34.6
222.06903	2.7
231.06500	5.7
233.06006	5.5
234.06799	2.8
237.09091	4.0
249.05367	2.1
249.08986	2.2
250.06197	4.3
262.06189	2.8
265.08658	13.2
266.09320	1.6
268.13699	1.6
277.08649	4.9
278.05841	2.3
292.07214	3.7
293.07974	8.9
297.11145	5.0
305.08063	4.1
307.09558	10.9
310.08380	2.4
322.08322	2.3
323.09195	8.8
325.06894	2.9
325.10712	50.5
337.10657	9.4
343.11783	15.1
348.95010	1.6
355.11740	39.0
408.07852	1.9
576.76422	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26902	2.1
53.03931	6.1
54.86441	1.9
55.05513	12.8
57.07076	10.9
59.04990	3.3
65.03934	3.2
65.90565	1.7
67.05509	15.8
69.07071	16.0
69.25176	7.6
69.25603	10.3
70.06566	2.2
73.06536	6.7
77.03907	1.8
79.05495	21.3
81.07064	39.8
83.08609	7.3
85.06538	10.7
85.58759	1.6
88.07640	4.0
91.04979	2.9
91.05486	33.4
92.54071	2.0
93.06487	3.2
93.07047	51.5
95.04965	5.3
95.08614	31.9
102.09176	3.3
103.05421	2.5
103.49274	2.0
105.07039	62.4
107.03645	2.2
107.08604	38.1
109.06501	2.9
109.10163	22.0
111.08070	7.4
115.05419	6.0
117.07020	15.2
119.08584	100.0
121.10145	46.3
121.11028	2.3
123.08051	3.9
123.11703	6.5
128.06244	6.8
129.06987	8.8
130.07721	6.3
131.08572	25.7
133.10136	61.2
135.07956	2.1
135.11697	24.0
137.09622	6.4
139.11179	2.3
141.06996	3.0
142.07770	13.9
143.08597	22.4
144.09274	6.1
145.10133	62.2
147.11678	19.3
149.09607	7.2
149.13268	5.7
151.11203	4.8
153.07092	2.5
153.12773	2.8
155.08560	10.1
156.09396	11.2
157.10144	35.1
158.10876	4.1
159.11699	32.1
161.09633	2.1
161.13228	7.1
163.11241	3.0
165.12746	4.9
167.08551	5.0
168.09332	4.8
169.10123	21.7
170.10944	3.5
171.11705	24.3
173.13261	22.1
175.11176	4.4
175.14815	27.1
179.08536	6.4
181.10091	9.2
182.10884	3.7
183.11719	16.9
185.13301	14.7
187.14795	12.3
193.10149	2.5
193.15930	2.1
194.10907	4.3
195.11743	9.4
196.12451	5.0
197.13264	14.0
199.14818	9.2
201.16364	7.9
205.15881	3.4
206.10728	2.7
207.11682	6.9
208.12306	3.5
209.13240	17.1
211.14806	23.2
215.14351	1.9
217.15831	2.4
221.13254	7.0
223.14812	8.0
225.12584	1.9
225.16389	6.5
233.13321	2.2
235.14813	3.5
237.16331	4.5
239.18015	5.2
241.19434	4.2
247.14748	2.8
249.16374	3.7
251.18039	2.0
253.19447	2.7
257.19043	2.3
261.16531	2.6
263.17874	2.2
265.19513	4.1
271.20544	2.5
273.16251	2.5
275.17477	2.6
283.20383	5.5
284.29428	4.2
285.29831	4.6
311.23715	3.5
311.29428	3.1
312.29663	3.1
325.25406	2.9
331.24274	3.3
349.25247	3.5
417.31357	8.6
569.43768	9.7
569.56793	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	569.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.05520	19.3
57.07069	9.5
59.04993	5.6
62.18922	2.3
67.05506	21.8
69.07053	12.6
69.54465	17.3
70.06586	7.4
71.08636	3.0
71.40097	2.6
73.06557	7.2
79.05493	26.3
81.07067	46.6
83.08628	6.2
85.06541	21.9
85.69025	2.9
88.07621	6.4
91.05486	42.7
93.07053	49.4
95.04955	10.0
95.08607	35.1
98.20835	4.2
99.08166	2.9
102.09180	5.1
103.05453	6.4
105.07031	77.5
107.08591	41.5
109.06445	3.2
109.10154	27.6
111.08089	23.0
115.05488	3.5
117.07026	14.0
119.08588	100.0
121.06463	3.1
121.10152	41.9
123.08065	6.4
123.11694	7.9
128.06219	9.1
129.06982	12.5
130.07794	7.5
131.08578	32.2
133.10139	59.0
135.11684	27.3
137.09590	6.6
141.07002	4.3
142.07780	11.7
143.08563	25.3
144.09320	5.0
145.10135	64.1
147.11685	28.0
149.09589	6.6
149.13231	4.1
151.11153	6.7
153.06989	3.1
153.12805	4.8
155.08548	8.9
156.09360	13.7
157.10138	33.2
158.10942	4.3
159.11694	26.0
161.09592	4.2
161.13255	8.2
163.11182	4.6
165.12743	5.5
167.08549	7.6
168.09337	5.5
169.10181	15.6
170.10916	5.5
171.11699	23.5
173.13254	15.5
175.11180	12.9
175.14851	30.9
179.08557	9.5
180.09409	4.4
181.10088	12.0
182.10953	3.4
183.11673	18.3
185.13263	11.9
187.14822	9.9
191.14340	3.2
193.10194	5.6
194.11017	3.6
195.11765	12.6
196.12535	4.1
197.13240	15.5
199.14850	7.3
201.16338	6.8
205.15892	5.7
206.10852	4.0
207.11684	9.3
209.13243	19.7
211.14824	18.7
215.18178	2.4
220.12379	4.2
221.13206	4.6
223.14833	7.3
225.16357	6.7
231.17276	3.3
235.14876	4.8
239.18025	4.9
241.19620	2.8
251.17992	2.8
261.16394	3.2
265.19565	5.1
277.19434	4.4
283.20654	3.7
284.29410	7.5
285.29800	4.6
310.44019	2.9
311.29416	6.6
312.29605	6.3
312.32724	3.7
313.32919	4.3
325.25247	4.8
331.24203	3.8
396.55588	3.0
415.29495	4.5
417.31451	6.1
537.41455	4.0
568.56512	7.3
569.44122	12.4
569.56885	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	569.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18427	2.7
53.03931	7.5
55.05513	36.2
57.03441	5.3
57.07080	18.0
59.05005	3.5
67.05508	46.6
69.07076	21.7
70.06591	9.0
71.04997	3.9
71.52270	5.7
71.67855	3.2
73.50211	3.2
79.05497	53.3
81.03423	8.5
81.07063	53.6
83.04986	15.3
83.08619	30.6
83.13406	3.9
85.06544	8.2
88.07626	13.6
91.05476	66.0
93.07047	60.4
95.04977	27.4
95.08613	46.5
97.06560	6.8
97.10175	5.4
99.08116	3.2
102.09206	11.3
103.47959	3.1
105.07038	49.7
107.04954	13.2
107.08611	36.3
109.06533	10.8
109.10165	21.5
111.08104	10.0
113.09665	3.1
117.07008	20.5
119.08587	56.8
121.06502	5.2
121.10169	29.7
123.08065	3.7
123.11691	7.3
125.06022	8.2
128.06245	3.6
129.07031	8.2
129.91531	3.3
131.08537	19.1
133.10127	35.3
134.45102	3.2
135.08081	6.7
135.11682	19.8
137.09686	6.7
141.06882	3.7
143.08508	7.3
145.10130	31.2
147.11708	25.1
149.09621	30.8
149.13330	5.3
151.11211	5.7
155.08578	5.5
157.10136	11.2
159.11716	20.1
161.13284	11.5
163.11174	24.6
165.12659	4.5
169.10123	8.7
171.11705	5.5
173.09637	4.7
173.13310	12.1
175.11240	5.1
175.14839	5.5
179.14351	7.4
183.11638	6.7
185.13283	5.5
196.66115	3.1
197.13326	6.3
199.14929	5.9
201.12766	4.1
215.14311	3.3
223.13329	14.2
229.19400	3.6
235.16989	22.1
239.17952	10.6
247.20351	3.5
257.19098	12.6
259.20718	4.1
275.20062	100.0
276.20776	4.5
277.21664	20.9
283.26480	9.6
284.26730	5.1
284.29581	11.0
285.29807	11.8
293.21124	25.7
311.29462	12.1
312.29749	8.4
313.32999	6.0
316.47745	3.4
383.56842	4.1
441.33194	4.9
522.76794	3.7
533.80957	3.7
551.40857	9.0
568.56543	14.4
569.42468	37.0
569.56860	77.6
574.68372	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	569.2936
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.05517	0.5
63.73119	0.4
67.05501	1.4
69.28091	3.6
70.06587	1.7
70.21392	0.4
72.08159	0.5
79.05480	0.7
81.03410	0.8
81.07034	0.7
84.08148	1.3
86.09718	1.5
90.77994	0.4
91.05475	1.2
93.07027	0.6
95.04946	0.6
97.02886	0.6
98.20756	0.9
105.07027	0.6
107.08595	1.0
109.10136	0.5
119.08616	0.6
120.08160	0.7
129.10208	0.7
131.08548	0.4
133.10097	0.4
136.07550	0.5
151.07469	0.4
157.04736	0.6
159.11629	0.4
179.12788	0.4
184.03429	0.5
185.04248	2.6
201.03798	0.7
226.99739	0.4
275.07419	0.8
331.10040	1.5
387.16397	0.8
407.24011	3.9
457.20447	0.4
471.21616	0.4
480.93411	0.5
499.21570	1.6
569.29340	100.0
570.29498	0.8
593.55829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2935
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.05525	0.2
67.05516	0.7
69.07087	0.2
70.06601	0.3
70.46821	0.6
76.99760	0.1
79.05499	0.3
81.03437	0.3
81.07076	0.5
83.04971	0.2
83.08603	0.3
84.08140	0.2
85.02897	0.2
86.09729	0.3
91.05483	0.3
93.07031	0.3
95.04998	0.2
95.08639	0.3
97.02856	0.2
97.10157	0.3
104.10734	0.4
107.08626	0.2
109.10168	0.7
110.10509	0.3
119.08588	0.2
120.76231	0.2
125.00066	0.2
127.11227	0.2
133.10088	0.3
145.10150	0.2
148.06708	0.1
184.07361	0.5
185.04240	0.4
218.80672	0.1
253.14336	0.2
259.07965	0.4
331.10178	0.5
333.19537	0.2
407.24069	3.3
457.19052	0.2
459.43295	0.2
551.28424	1.1
569.29358	100.0
570.29700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85844	0.2
67.05495	0.6
69.28447	2.3
79.05463	0.2
81.03445	0.4
81.07047	0.5
86.09691	0.4
89.89153	0.3
91.05468	0.5
93.59633	0.3
95.08664	0.3
100.95546	0.2
105.07063	0.3
109.10178	0.5
119.08550	0.4
135.27361	0.3
147.55768	0.3
147.56921	0.2
157.04758	0.3
184.03479	0.3
184.07315	0.5
185.04173	1.4
188.49753	0.3
201.03746	0.8
219.93488	0.2
259.07788	0.3
275.07495	0.8
295.26025	0.3
331.09955	2.9
345.11548	0.9
373.14615	0.5
387.16562	0.6
407.24091	2.8
421.98520	0.4
427.19403	0.3
441.20981	2.7
443.22662	1.1
457.20682	0.5
471.21954	1.9
479.23569	0.3
499.21320	1.3
569.29327	100.0
570.29730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05517	1.7
56.05038	1.5
58.06584	1.6
60.08167	16.0
65.03956	0.3
65.09808	0.3
67.05499	1.3
69.07068	0.3
70.06591	2.3
70.39844	0.7
70.81522	0.3
71.07382	6.6
71.08611	0.3
72.08154	0.8
72.99493	0.3
73.77462	0.3
79.05492	1.3
81.07069	1.1
83.08632	0.4
84.04496	0.4
84.08154	2.8
84.57252	0.3
85.02897	0.5
86.09711	49.9
91.05484	1.0
93.07039	0.7
95.04971	0.3
95.08626	0.7
95.63936	0.3
97.06560	0.5
97.10141	0.7
98.98484	3.7
100.32549	0.3
104.10748	100.0
105.07023	0.6
107.08588	0.7
109.06525	0.3
117.07068	0.3
119.08584	0.3
120.08115	1.1
125.00011	26.0
125.09686	0.4
129.10236	1.6
133.10181	0.4
135.11679	0.5
159.09206	0.4
163.11179	0.4
169.10344	0.4
184.07349	83.5
231.74742	0.3
258.11026	1.0
349.23978	0.4
394.19339	0.4
532.30682	2.0
550.22858	0.7
550.31372	12.8
568.32428	38.6
569.32385	0.4
573.77155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.05505	0.3
56.05028	0.6
57.03439	0.2
57.07080	0.2
58.06623	0.5
59.07370	0.2
60.08163	5.7
67.05502	0.4
69.07086	0.3
70.06586	1.6
70.86436	0.3
70.86783	0.2
71.07372	3.0
72.08144	0.3
79.05492	0.3
81.07060	0.4
83.08612	0.3
84.04505	0.4
84.08140	1.3
86.09705	31.4
91.05493	0.4
92.19374	0.2
95.08614	0.2
97.10199	0.2
98.98463	2.9
100.11269	0.2
104.10740	5.8
105.07061	0.2
107.04984	0.2
107.08652	0.3
120.08128	0.6
125.00002	20.6
129.10245	0.8
134.42877	0.2
137.09615	0.2
147.04358	0.2
184.07335	100.0
233.53386	0.2
258.11017	0.3
333.11276	0.2
372.64633	0.2
550.31458	2.0
568.32440	9.6
584.95868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.3
54.19176	2.8
55.05514	17.9
57.07068	6.8
57.99165	3.0
65.03938	4.2
67.05501	26.0
69.07072	21.0
70.09618	6.1
70.09982	11.0
71.50199	3.4
79.05494	25.4
81.07063	43.1
81.83231	3.3
83.04959	5.2
83.08604	11.7
88.81533	2.8
91.05481	46.3
93.06472	5.6
93.07045	58.2
95.04955	6.3
95.08617	52.4
97.06532	4.0
105.07040	61.1
107.08603	88.4
109.06504	9.1
109.10159	45.0
117.06998	17.8
119.04911	3.3
119.08588	100.0
121.06487	6.4
121.10160	68.6
123.08070	7.2
123.11717	26.8
128.06165	6.4
129.07004	11.8
130.07788	6.0
131.08566	32.1
133.10138	70.9
135.08017	4.5
135.11699	76.6
137.09601	5.6
137.13231	6.0
137.94765	3.2
138.40691	3.3
142.07771	11.3
143.08603	27.8
144.09386	5.4
145.10136	59.3
147.11688	23.7
149.09641	5.5
149.13269	11.4
153.06955	3.0
155.08513	9.9
156.09344	10.8
157.10146	46.3
158.10890	5.7
159.08041	6.7
159.11690	40.8
161.09627	6.7
161.13266	14.2
165.07013	3.7
167.08588	5.2
169.10136	21.8
170.10858	7.1
171.11717	24.2
173.09692	4.0
173.13249	33.8
175.11345	4.1
175.14836	48.1
179.08513	5.1
181.10107	9.8
182.10851	6.1
183.11710	20.2
185.09689	6.8
185.13275	20.9
187.11224	6.1
187.14877	21.8
189.16406	9.8
193.10077	7.7
193.15895	6.0
194.10834	6.5
195.11700	15.0
197.13258	18.5
198.13896	2.8
199.14850	10.6
201.16461	15.3
203.14372	3.6
205.15857	6.5
206.10979	4.0
207.11644	12.4
208.12436	5.2
209.13217	18.1
210.14102	4.2
211.14865	12.4
213.12776	7.4
213.16360	10.7
219.11761	5.9
219.17467	6.6
220.12517	5.6
221.13277	16.8
221.37584	4.1
223.11340	3.7
223.14859	12.6
225.12720	4.7
225.16457	9.3
227.14273	4.7
231.11674	4.0
232.12369	7.3
233.13150	8.3
234.13927	6.9
235.14764	8.5
237.12793	3.8
237.16347	5.7
239.14392	4.7
241.19496	4.2
245.13181	6.4
247.14755	4.3
248.15572	7.7
249.16327	4.3
251.17877	4.5
255.21072	5.4
261.16397	7.1
263.17902	7.1
265.19400	5.8
267.21033	5.9
279.21036	3.6
289.19604	3.4
295.20523	3.9
305.22305	3.3
309.22104	3.5
331.24463	4.6
343.24008	4.4
346.26471	4.0
361.25250	9.7
393.31641	4.0
413.27994	5.0
427.29605	7.4
454.69977	3.0
549.40680	21.8
567.42017	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
55.05511	16.9
65.03960	4.8
67.05510	30.4
69.07069	18.7
69.50912	29.5
77.49826	3.9
79.05515	26.3
81.07066	54.5
83.05009	4.6
83.08627	5.8
84.16321	3.8
89.46647	3.6
91.05489	42.4
93.07064	47.0
95.04988	5.0
95.08624	45.6
97.06528	4.7
103.50246	4.1
104.25078	4.7
105.07043	88.7
107.08611	62.1
109.06531	13.0
109.10155	43.1
115.05484	6.7
117.07035	22.3
119.08597	100.0
121.10161	66.8
123.08096	8.4
123.11710	18.0
128.06256	8.5
129.07022	15.0
130.07794	4.5
131.08600	45.7
133.10147	66.2
133.15778	3.9
135.08118	9.0
135.11708	47.6
141.07013	7.4
142.07805	16.9
143.08595	32.2
143.33482	4.0
144.09299	5.0
145.10136	76.8
147.11732	21.3
149.13319	6.9
155.08591	12.6
156.09392	12.2
157.10143	47.6
158.11031	6.7
159.11703	37.9
161.09599	6.0
161.13297	23.9
167.08531	7.4
168.09277	8.2
169.10147	18.8
170.10970	7.6
171.11708	24.8
173.13298	24.6
175.14810	32.9
179.08559	8.8
180.09354	5.8
181.10118	13.0
182.10910	7.6
183.11726	22.0
184.12498	4.8
185.13292	22.2
187.14848	17.6
193.10204	8.4
194.10866	5.6
195.11711	13.6
196.12517	9.8
197.13286	24.6
199.14851	10.9
201.16418	8.9
203.14290	10.8
205.15848	9.5
206.10832	4.6
207.11707	10.0
208.12448	6.4
209.13318	24.3
211.14824	17.1
213.16425	5.2
215.14520	5.3
219.11800	4.8
221.13197	9.1
221.15346	9.0
223.14841	13.6
225.16342	8.0
233.13280	9.1
235.14810	11.3
237.16481	8.6
239.18149	6.7
240.18901	5.0
241.16116	3.9
241.19366	7.7
247.14859	4.8
249.16469	6.6
251.17825	6.7
253.16051	4.5
253.19356	5.2
257.19226	5.8
261.16388	8.2
263.18027	6.0
265.19626	5.7
275.18106	7.0
345.25647	11.0
346.26544	10.5
401.28659	5.8
413.28186	4.6
427.29904	5.8
429.46005	5.0
549.40643	11.8
567.41998	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61292	1.2
59.68846	1.4
62.45278	1.3
66.69118	1.4
70.83366	2.6
78.96799	1.2
82.18961	1.2
151.71568	1.3
187.68642	1.5
213.45930	1.5
216.99075	2.0
235.00127	2.8
240.98972	7.1
259.00003	32.3
260.00226	1.6
264.99115	2.8
277.01041	13.9
283.00003	97.9
284.00278	4.2
296.78516	1.4
301.01059	100.0
302.01294	2.5
303.01154	2.3
316.95639	2.4
316.99078	3.0
318.98697	2.6
319.02301	3.5
324.02692	1.9
382.99832	2.1
401.01239	8.6
407.00601	4.5
425.01132	29.6
443.02322	55.0
466.04105	1.5
500.98083	2.6
549.01361	38.4
549.09924	2.0
567.02454	59.5
568.02881	1.8
585.00439	4.9
590.04297	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	566.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.65717	1.1
55.05515	6.1
57.03429	2.9
57.07083	6.1
61.02918	3.5
64.93169	0.9
65.03932	1.5
67.05507	19.5
69.03419	3.6
69.07077	7.9
70.06564	1.8
70.13787	5.0
71.04996	2.8
71.08617	1.6
73.02912	1.7
79.05496	12.0
80.63553	1.0
81.03419	7.1
81.07066	19.1
83.04962	5.8
83.08641	5.5
84.08160	1.1
85.02891	4.1
85.06540	2.7
85.10181	17.1
86.09683	3.4
91.05474	12.3
93.07050	14.4
95.04967	9.7
95.08607	11.0
97.02894	2.2
97.06535	2.3
97.10169	3.1
99.04488	1.0
99.08087	2.9
104.10718	2.3
105.07045	8.0
107.04948	4.4
107.08598	11.1
107.44299	1.0
109.06497	2.4
109.10172	9.7
109.16289	1.0
111.08082	2.7
113.09641	17.6
117.07025	2.4
119.08569	5.8
121.10140	4.7
123.08054	3.1
123.11668	1.7
125.09632	3.1
127.03921	1.3
129.07011	2.3
131.08557	4.8
133.10120	7.0
135.07988	1.2
135.11761	2.2
137.09570	1.0
145.10147	3.2
147.08000	1.5
147.11736	5.0
149.09628	4.8
149.13229	3.2
151.11185	4.5
153.12801	1.3
157.10106	2.0
159.11697	3.6
161.13260	3.0
163.11206	3.6
163.14876	1.3
165.12759	28.2
171.11627	1.7
173.11700	1.7
175.11206	2.1
177.12775	2.4
179.14368	3.4
181.12215	2.0
184.07390	8.4
185.07698	1.3
207.13799	2.0
218.52448	1.1
226.22433	1.1
229.14291	1.3
241.19318	1.3
249.22244	1.6
259.20505	3.3
269.17480	10.8
274.18646	1.4
277.21643	43.0
292.19925	1.2
295.22702	80.2
311.79346	1.1
331.86871	1.1
351.25272	21.3
369.26370	100.0
565.36261	1.4
566.26160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01870	0.4
55.05509	1.1
56.05041	1.5
58.06586	1.4
59.07372	0.4
60.08163	16.4
67.05502	1.2
67.05810	0.2
69.07066	0.8
70.06587	1.0
70.10582	0.8
71.07371	6.2
72.08165	0.6
79.05499	1.2
81.07052	1.5
82.79073	0.2
83.04962	0.4
83.08610	0.6
84.08138	0.8
85.02906	0.6
86.09705	49.9
91.05463	0.8
93.07041	1.0
95.04984	0.4
95.08628	0.5
97.10190	0.3
98.98466	3.7
99.47543	0.2
100.11266	0.2
104.10743	100.0
105.07021	0.7
107.04951	0.3
107.08605	1.0
109.06492	0.3
109.10148	0.5
111.04414	0.3
111.08118	0.3
115.50226	0.2
117.07066	0.3
119.08605	0.4
120.08082	0.5
121.10128	0.6
123.08050	0.4
125.00004	26.2
125.09606	0.5
129.10234	0.3
131.08490	0.3
133.10167	0.3
135.08040	0.3
135.11664	0.4
145.10115	0.3
145.36925	0.2
151.01295	0.2
163.01576	0.5
178.96130	0.2
181.02640	0.2
184.07339	83.3
189.11198	0.3
258.11053	0.8
283.18939	0.3
530.28741	1.1
548.29883	10.4
566.30872	41.1
567.30402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
54.12983	0.2
55.01890	0.2
55.05515	1.5
56.05042	0.6
58.06639	0.6
59.07396	0.2
59.44965	0.1
60.08169	6.2
63.16367	0.1
67.05515	1.0
69.03438	0.3
69.07076	0.5
69.28552	1.2
70.06600	1.2
71.05003	0.1
71.07380	2.7
72.08160	0.3
79.05520	0.8
79.78558	0.1
81.03414	0.3
81.07065	1.0
82.06603	0.1
83.04990	0.3
83.08630	1.2
84.04540	0.3
84.08159	0.8
85.02927	0.6
85.06539	0.2
86.09714	30.2
91.05488	1.0
93.07056	1.3
95.04962	0.3
95.08613	0.6
97.06531	0.5
97.10204	0.2
98.98473	2.8
99.04442	0.2
100.07609	0.4
100.11268	3.4
104.10754	3.3
105.01833	0.2
105.07049	0.6
107.05054	0.2
107.08609	0.8
109.06514	0.4
109.10155	0.3
110.06059	0.2
111.04450	0.7
111.08110	0.5
111.88387	0.1
117.07031	0.4
119.08588	0.9
120.08108	0.4
121.06541	0.3
121.10172	0.9
121.10898	0.2
123.08095	0.2
125.00018	20.0
125.09708	0.2
127.03928	0.3
128.07129	0.3
129.06973	0.2
129.10262	0.5
131.08563	1.2
133.10117	0.8
135.08051	0.8
135.11700	0.3
137.05942	0.2
137.09625	0.4
139.07588	0.1
140.07059	0.2
141.06941	0.1
143.08594	0.2
145.04970	0.2
145.10101	0.8
147.08083	0.2
147.11710	0.5
149.09622	1.5
153.09157	0.2
159.11668	0.2
163.11191	0.6
169.10115	0.4
175.14778	0.4
182.15422	1.8
183.11720	0.2
184.07356	100.0
185.13223	0.2
187.14796	0.5
201.16389	0.6
209.16539	0.9
210.14943	1.5
211.14850	2.3
223.49402	0.1
227.17618	0.2
228.15904	0.2
229.15909	1.5
247.16954	2.4
258.11002	0.3
265.18008	10.4
283.19077	4.2
301.20087	1.5
326.28018	0.2
343.30771	0.3
389.80908	0.3
453.34341	0.6
492.74319	0.2
502.89786	0.8
548.29822	1.7
557.42456	1.3
566.30640	6.8
566.42468	2.7
566.92633	0.6
569.47168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1555
Annotation	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01867	6.5
57.03427	3.2
61.02917	2.6
65.03919	2.0
70.06591	8.0
70.97459	4.0
72.08140	2.0
74.42840	1.6
81.68235	1.5
84.08142	5.3
85.02901	4.9
91.05497	2.4
97.02874	2.7
107.04981	2.8
109.02892	3.3
118.35432	1.6
119.04938	13.1
121.02876	49.3
121.06562	1.7
129.10266	2.0
143.31511	1.9
143.55827	1.7
145.02837	5.4
163.03891	2.1
171.04344	2.4
177.01833	6.0
179.03439	2.2
183.04599	1.7
187.03922	3.6
189.01846	14.5
189.05467	2.9
190.02609	2.3
191.03407	6.3
195.02908	5.1
199.03911	2.2
201.01900	2.2
201.05614	1.6
203.03391	20.3
205.04890	3.6
207.02966	9.2
211.03860	2.2
213.05440	2.3
215.03407	8.1
217.05057	8.4
219.02855	6.1
221.04524	4.3
227.03432	3.7
229.05013	3.8
231.02847	5.0
233.04430	4.0
241.04855	3.3
243.02919	4.5
245.04442	3.6
254.05850	2.5
255.02913	3.7
257.04376	1.9
261.03732	2.1
267.06583	4.2
268.07272	4.6
273.04004	2.5
279.06470	6.2
280.07339	3.4
281.08081	5.6
283.05939	9.6
284.06644	2.7
285.03870	2.4
291.06488	3.0
293.08084	4.9
294.05237	23.5
295.06024	100.0
296.06683	7.8
297.07547	10.0
305.07980	4.4
307.06012	70.6
307.09329	2.7
308.06863	21.8
309.04050	3.3
309.07529	26.0
313.07095	6.4
317.08112	4.2
319.06091	9.3
319.09360	2.4
320.06622	7.9
321.03854	3.3
321.07581	55.7
322.08304	12.6
323.09067	10.1
325.07074	92.5
329.07999	3.7
331.06235	2.0
333.07562	32.5
334.08350	5.0
335.05490	2.5
335.09128	27.9
336.06302	4.2
337.07068	61.3
339.08691	5.0
345.07541	12.4
347.09280	13.6
349.07056	62.5
349.10687	2.9
351.08618	31.3
355.08063	7.6
359.09018	3.9
361.06998	34.0
361.11090	3.3
363.08624	29.8
365.06287	2.0
365.10361	9.5
367.08072	10.3
371.09137	2.2
373.07126	14.6
375.08560	15.2
377.10336	3.7
379.08145	98.2
381.09320	2.2
387.08554	8.2
389.10141	3.5
391.08127	45.3
393.09521	2.9
397.09180	36.2
401.10165	3.0
403.08023	19.6
403.15698	3.9
405.09839	8.0
409.03729	3.4
409.09201	70.8
415.09671	15.9
417.09775	4.8
419.11057	4.9
421.09232	18.1
427.10300	84.9
429.09882	3.9
433.09183	21.4
439.10193	16.2
445.11118	31.6
451.10233	27.4
457.11282	32.9
463.09842	8.5
469.11401	39.7
475.10599	10.5
481.11307	45.3
493.11337	28.8
499.12372	44.0
511.12448	70.0
529.13440	68.9
547.14526	46.3
565.15045	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.3
55.01873	12.7
55.05512	31.3
57.03451	19.8
57.07077	5.3
61.02925	15.5
65.03934	4.9
67.05183	4.8
67.05511	67.4
69.03433	13.6
69.07072	33.7
71.04999	6.6
71.52949	3.8
73.02908	6.5
79.05499	73.5
81.03436	15.3
81.06596	4.7
81.07062	90.2
82.07359	3.5
83.04989	16.9
83.08622	21.9
84.01628	2.6
85.02912	22.6
85.06539	8.3
91.03954	9.7
91.05490	70.9
93.07051	100.0
94.07351	4.5
95.04966	18.1
95.08617	46.7
96.47442	3.0
97.02899	19.7
97.06542	13.5
97.10157	7.8
99.04448	5.3
99.08097	8.5
103.03931	3.7
105.07041	59.5
107.04968	8.2
107.08607	51.3
109.02859	3.8
109.06518	9.5
109.10153	22.4
111.04470	3.3
111.08086	9.7
113.05984	3.2
114.95094	2.6
115.05412	4.5
117.07013	21.5
118.10751	2.9
119.08591	51.9
121.06541	5.5
121.10157	43.7
123.08081	10.0
123.11721	8.8
127.03930	4.0
129.05482	4.3
129.07014	10.0
131.08586	30.7
133.10144	45.9
134.10492	3.7
135.08072	7.9
135.11708	31.8
137.09608	5.2
137.13101	2.9
143.08591	10.7
145.04907	5.4
145.10130	21.7
146.73553	3.2
147.11710	35.6
149.09601	16.3
149.13251	33.5
151.11223	4.9
157.10158	9.8
159.11711	28.7
161.13307	21.7
163.11191	10.3
163.14844	7.9
169.10161	4.8
171.11682	10.6
173.13332	14.2
175.11162	4.1
175.14830	6.1
177.12726	12.8
184.07367	3.5
185.13298	8.5
189.12689	3.8
195.13841	10.2
199.14856	10.7
217.15776	4.1
227.12799	3.0
229.14423	3.6
239.18115	3.3
241.19470	16.7
255.09200	5.4
257.19104	7.0
259.20605	46.1
269.17517	82.2
275.20056	20.9
276.20734	3.9
277.21545	7.1
281.17307	3.4
291.19452	3.6
323.10440	3.0
333.24210	11.0
349.16910	10.0
349.23773	6.8
351.25320	74.5
365.16177	5.4
397.68112	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15548	0.9
53.03706	0.8
53.03939	3.5
53.38042	0.8
55.01865	4.5
55.05270	1.5
55.05516	21.4
57.03452	5.0
58.52323	1.1
60.08155	1.7
61.02928	2.6
65.03938	2.3
67.05511	24.4
69.03442	5.4
69.06719	1.6
69.07072	13.2
70.06596	2.1
70.30299	3.5
71.05003	2.7
73.02903	1.7
79.05496	29.1
81.03408	3.5
81.07064	25.4
83.04997	4.8
83.08628	17.3
84.08154	1.8
85.02910	4.9
85.06534	2.6
86.09703	5.1
91.03962	1.5
91.05483	19.6
93.07051	20.6
95.04967	2.9
95.08611	10.5
97.02897	3.9
97.06551	6.8
97.10177	25.6
98.21600	1.1
104.10732	5.9
105.07038	21.9
107.04359	1.0
107.04975	7.6
107.08602	55.1
109.02879	1.5
109.06516	4.2
109.10165	8.5
111.08086	1.6
115.05397	1.1
117.07034	7.3
119.06076	1.1
119.08591	13.6
121.06521	2.3
121.10132	6.7
123.08095	1.4
123.11703	3.1
125.00026	2.2
125.09643	27.7
127.03920	3.2
129.07005	1.9
129.10239	1.1
131.08578	7.9
133.06488	1.0
133.10139	13.9
135.08087	5.2
135.11731	6.2
137.09590	1.8
143.08554	4.6
143.10680	1.4
145.06369	1.0
145.10143	19.3
147.11720	10.3
149.09610	9.2
149.13268	3.7
153.09116	2.0
157.10126	3.2
159.11705	8.1
161.09625	1.8
161.13275	3.2
163.11159	2.8
165.12755	1.1
169.10098	1.8
171.10139	4.0
171.11708	3.9
173.13205	3.1
177.12787	1.6
179.14360	1.4
183.11682	3.0
184.07362	11.0
185.13301	1.9
186.13576	1.3
187.11235	2.3
189.11234	18.2
189.12697	0.9
197.13237	1.7
227.12804	33.3
229.19460	1.4
239.17976	5.8
245.13809	17.0
255.15889	7.3
257.19031	25.3
269.17438	5.5
275.20102	41.3
293.13300	1.1
293.20999	1.7
295.40323	1.0
310.24582	1.0
331.22668	5.0
349.23752	100.0
350.24365	1.1
367.24796	19.0
389.18329	1.9
564.29254	2.3
565.20258	5.3
570.31519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01865	3.8
55.05516	7.1
57.03436	2.7
57.50285	0.9
59.80906	0.8
61.02918	2.9
65.03902	1.2
67.05508	16.8
69.03410	1.5
69.07066	11.4
70.66444	1.9
70.66773	1.1
71.04964	1.0
79.05076	1.2
79.05495	16.0
81.03410	1.9
81.07058	52.5
83.04973	2.7
83.08630	7.4
85.02885	3.1
85.06518	0.9
86.47597	0.9
91.03978	0.9
91.05482	15.5
93.07050	14.0
95.04978	6.3
95.08599	13.2
96.05795	1.0
97.06529	4.7
99.08072	2.2
105.07043	14.6
107.04970	4.9
107.08590	11.2
109.06520	20.4
109.10172	5.8
111.08086	1.6
117.07030	4.0
119.08582	14.4
121.06515	3.9
121.10142	7.9
123.08079	4.1
123.11702	4.1
125.09599	1.4
129.06990	1.8
131.08563	7.1
133.06454	1.4
133.10139	10.4
135.08035	2.8
135.11697	3.9
137.09599	2.8
143.08577	1.1
145.06506	1.0
145.10149	7.2
147.08058	1.4
147.11702	12.7
149.09659	5.7
149.13271	4.8
151.11159	1.7
157.10112	3.1
159.11703	5.3
160.95265	0.9
161.09593	1.0
161.13272	2.8
163.11185	5.2
163.14803	1.3
165.12752	3.1
169.10175	1.4
171.11748	1.7
173.09586	1.1
173.13309	2.5
175.11156	2.2
177.12683	1.6
179.14346	1.3
183.11647	1.3
187.14879	1.0
191.14372	1.0
197.13248	1.1
201.12819	1.2
229.19504	1.5
239.18018	1.4
247.20517	1.8
257.19000	2.1
269.17435	1.8
275.20081	42.2
293.21198	6.6
349.23752	100.0
367.24805	70.2
405.52771	0.9
565.33795	1.1
581.18921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
54.80992	0.7
55.01862	2.0
55.05513	13.6
55.21913	0.5
55.93349	0.6
57.03428	2.8
57.07060	1.0
60.08154	0.8
61.02916	2.4
65.03940	0.9
67.05504	16.0
69.03421	1.8
69.07075	6.8
69.21669	2.7
69.22102	3.3
71.05008	0.9
72.72298	0.6
73.02911	0.9
79.05490	12.7
81.03416	2.9
81.07061	17.4
83.04980	3.7
83.08617	13.3
85.02882	1.9
85.06534	1.1
86.09711	4.4
91.03930	0.9
91.05482	14.5
93.07047	15.1
93.07633	0.9
95.01313	0.9
95.04970	9.5
95.08615	12.7
97.02894	0.8
97.06544	4.5
97.10165	2.8
99.08096	1.0
104.10697	0.7
105.07037	17.2
107.04409	0.6
107.04974	6.7
107.08585	12.5
109.06502	2.8
109.10156	8.1
111.08089	4.2
117.07021	6.3
118.14427	0.7
119.08579	19.3
121.06513	4.0
121.10151	10.0
123.08056	3.4
123.11685	1.6
124.99984	1.6
125.09638	3.0
129.07007	2.4
131.08571	9.5
133.09126	1.1
133.10138	19.1
135.08073	4.1
135.11703	5.8
137.09601	3.0
139.11188	1.6
141.07010	0.9
143.08574	2.5
145.10132	13.2
145.11096	0.5
147.08075	1.6
147.11684	8.6
149.09621	14.5
149.13367	1.6
151.11201	4.1
155.08586	1.3
157.10175	3.1
159.11723	8.0
161.09645	1.4
161.13277	3.5
163.11185	15.6
165.12767	2.7
169.10112	2.1
171.11691	2.7
173.09613	0.9
173.11949	0.7
173.13242	4.2
175.11166	1.3
177.12732	3.3
179.10683	1.2
183.11705	2.1
184.07349	14.0
185.13289	0.8
187.11241	1.5
187.14728	0.9
189.11270	1.1
189.12831	1.2
191.14378	1.6
193.15872	1.0
197.13295	2.2
201.12776	1.5
205.12283	1.4
211.14871	1.0
215.17905	1.0
223.13321	2.6
229.19484	1.4
239.18025	6.7
247.20645	1.8
257.19016	9.0
264.65695	0.8
275.20062	60.4
277.19980	0.6
293.21136	8.2
301.28534	0.6
349.23749	50.4
349.50452	0.8
367.24796	100.0
385.26163	1.2
421.40616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01868	7.0
55.05519	39.5
57.03424	13.5
57.07076	3.6
65.03930	5.3
67.05508	90.0
69.03432	5.0
69.07072	24.0
71.05003	8.1
71.52397	3.6
79.05499	57.9
81.03426	28.2
81.06605	4.4
81.07060	84.1
83.05000	17.5
83.08624	27.4
85.02891	9.7
85.06519	4.7
91.05486	54.8
93.07050	57.8
95.04972	18.7
95.08612	59.5
97.06529	9.6
97.10178	13.8
99.08096	4.6
102.57375	3.4
105.07036	45.7
107.04933	8.9
107.08601	38.2
109.06510	9.9
109.10165	35.1
111.04452	6.7
111.08128	6.9
117.07044	18.9
119.08588	42.3
121.06557	3.0
121.10155	31.0
123.08052	6.7
123.11710	14.5
125.09618	8.7
129.07031	15.1
131.08568	29.1
133.10135	33.3
135.08049	3.8
135.11702	23.8
137.09607	5.4
138.31981	3.0
139.11150	4.7
141.06892	4.5
143.08531	12.7
145.10124	28.8
147.11707	28.5
149.09610	6.4
149.13275	11.0
150.39864	3.2
151.11140	3.1
153.12727	4.0
155.08559	7.0
157.10167	17.8
159.11671	22.1
161.13258	13.5
163.11203	6.7
165.12749	3.7
169.10196	7.3
171.11688	12.6
173.13239	10.0
175.11259	5.8
175.14761	4.0
181.10110	3.5
183.11775	6.2
185.13229	8.5
187.14859	6.4
189.11188	7.4
191.10590	3.5
193.12247	22.1
199.14777	5.1
209.13280	3.7
211.13252	30.5
211.14801	3.5
221.15419	3.5
227.12773	8.0
229.14159	4.3
261.22128	15.7
277.21899	3.3
285.16940	25.1
301.25107	4.2
303.23196	9.5
317.24823	4.9
335.25903	27.7
351.25488	3.4
353.96136	3.3
417.31238	6.9
435.32343	10.4
443.23672	3.2
453.33484	10.9
471.34409	9.2
473.32471	4.6
487.33731	5.5
527.37317	42.5
545.38367	100.0
563.39539	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	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01868	7.0
55.05519	39.5
57.03424	13.5
57.07076	3.6
65.03930	5.3
67.05508	90.0
69.03432	5.0
69.07072	24.0
71.05003	8.1
71.52397	3.6
79.05499	57.9
81.03426	28.2
81.06605	4.4
81.07060	84.1
83.05000	17.5
83.08624	27.4
85.02891	9.7
85.06519	4.7
91.05486	54.8
93.07050	57.8
95.04972	18.7
95.08612	59.5
97.06529	9.6
97.10178	13.8
99.08096	4.6
102.57375	3.4
105.07036	45.7
107.04933	8.9
107.08601	38.2
109.06510	9.9
109.10165	35.1
111.04452	6.7
111.08128	6.9
117.07044	18.9
119.08588	42.3
121.06557	3.0
121.10155	31.0
123.08052	6.7
123.11710	14.5
125.09618	8.7
129.07031	15.1
131.08568	29.1
133.10135	33.3
135.08049	3.8
135.11702	23.8
137.09607	5.4
138.31981	3.0
139.11150	4.7
141.06892	4.5
143.08531	12.7
145.10124	28.8
147.11707	28.5
149.09610	6.4
149.13275	11.0
150.39864	3.2
151.11140	3.1
153.12727	4.0
155.08559	7.0
157.10167	17.8
159.11671	22.1
161.13258	13.5
163.11203	6.7
165.12749	3.7
169.10196	7.3
171.11688	12.6
173.13239	10.0
175.11259	5.8
175.14761	4.0
181.10110	3.5
183.11775	6.2
185.13229	8.5
187.14859	6.4
189.11188	7.4
191.10590	3.5
193.12247	22.1
199.14777	5.1
209.13280	3.7
211.13252	30.5
211.14801	3.5
221.15419	3.5
227.12773	8.0
229.14159	4.3
261.22128	15.7
277.21899	3.3
285.16940	25.1
301.25107	4.2
303.23196	9.5
317.24823	4.9
335.25903	27.7
351.25488	3.4
353.96136	3.3
417.31238	6.9
435.32343	10.4
443.23672	3.2
453.33484	10.9
471.34409	9.2
473.32471	4.6
487.33731	5.5
527.37317	42.5
545.38367	100.0
563.39539	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	563.358
Annotation	Amphidinolide B
Peak:m/z	Relative Intensity
53.03938	4.6
55.01873	13.4
55.05512	34.9
57.03437	15.8
57.07059	1.6
61.02930	2.9
65.03945	3.6
66.04686	1.4
67.05507	73.2
69.03432	8.3
69.07072	24.9
71.01331	2.2
71.04993	7.6
71.52462	1.4
73.02911	2.4
73.95709	1.5
77.03896	2.3
79.05495	66.9
81.03432	13.5
81.07059	100.0
82.07421	2.0
83.04990	23.9
83.08619	18.7
85.02919	9.4
85.06555	4.3
91.05489	39.3
92.60492	1.5
93.07047	57.6
95.04974	22.0
95.08606	27.3
97.02898	4.4
97.06537	16.1
97.10175	24.3
99.04456	4.0
99.08092	2.6
101.02378	1.5
105.07033	27.6
107.04974	8.6
107.08593	41.1
109.02885	2.4
109.06526	9.5
109.10143	17.0
111.04465	19.0
111.08076	9.6
111.84095	1.7
116.06323	2.2
117.07030	11.9
119.08584	26.0
121.06518	10.8
121.10151	19.8
123.08074	23.9
123.11706	2.0
125.06046	2.2
125.09618	19.9
127.03948	2.1
128.06238	2.7
129.07014	6.9
129.93459	1.4
130.07774	2.0
131.08588	16.5
133.06538	1.9
133.10130	16.7
135.08052	10.6
135.11694	35.7
137.09615	7.4
139.11182	1.9
141.07001	2.0
143.08580	8.9
145.06502	2.0
145.10120	22.2
147.08058	10.0
147.11676	7.4
149.09644	9.3
149.13263	3.1
151.11235	2.5
153.09140	3.4
153.12741	11.1
155.08614	3.3
157.10155	6.1
159.08029	2.0
159.11681	6.0
161.09662	6.4
161.13268	2.7
161.87851	1.5
163.07536	3.0
163.11188	24.5
165.09114	4.7
165.12764	1.8
171.10190	2.1
171.11662	3.1
173.09654	3.9
175.11163	2.5
177.12708	2.4
181.09999	1.9
181.10678	1.9
181.12250	19.8
183.11708	2.6
185.13271	3.2
189.11246	21.0
189.12910	2.2
191.10670	9.2
193.12314	3.0
199.11137	1.9
199.14825	1.5
201.12706	1.5
209.11763	3.5
213.72557	1.4
223.13268	13.5
227.12759	25.3
227.14928	2.0
227.17860	2.5
245.19078	2.9
253.14238	2.2
255.15840	45.8
255.18147	2.4
273.18530	32.2
275.19995	8.8
283.15356	4.0
289.18021	2.4
291.19547	68.1
293.21021	3.0
309.20648	4.4
339.96631	1.5
347.22064	5.6
365.23248	18.3
401.19055	5.2
425.25168	4.5
434.17789	1.9
435.28851	2.0
453.29886	2.1
471.31186	2.6
481.28000	1.7
509.32437	1.7
527.33569	10.6
545.26971	2.2
545.34814	35.0
563.35858	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51536	1.0
53.03948	2.3
55.01875	8.2
55.05515	29.7
55.14539	1.1
57.03443	6.2
61.02930	2.4
65.03935	2.3
67.05508	32.8
68.34614	1.2
69.03444	7.4
69.06734	1.7
69.07071	21.4
70.06602	12.4
71.04975	2.9
72.08147	2.4
73.02926	2.4
78.16838	1.1
79.05498	35.6
81.03416	13.6
81.07060	65.8
83.04994	11.9
83.08624	16.7
84.04504	2.6
84.08147	6.1
85.02912	7.6
85.06531	5.0
86.06036	1.5
86.09695	5.3
91.03932	1.5
91.05479	20.9
93.06493	1.7
93.07049	27.3
95.04970	12.8
95.08611	19.6
97.02869	4.7
97.06539	7.4
97.10174	25.5
99.04474	3.0
99.08123	2.7
101.07233	1.4
105.07033	19.3
107.04936	7.5
107.08604	23.0
109.02908	1.4
109.06516	6.5
109.10177	12.3
110.07185	1.9
111.04427	14.7
111.08080	7.5
117.07010	8.8
119.08588	21.1
120.08067	3.3
121.06522	7.1
121.10128	11.1
123.04514	1.8
123.08075	27.0
125.05971	1.4
125.08777	1.9
125.09636	26.1
127.03926	2.5
128.06302	2.0
129.06990	4.9
129.10228	3.0
131.08577	12.4
133.06480	4.0
133.10153	8.0
135.08037	7.4
135.11717	7.2
136.07593	2.1
137.06026	1.6
137.09627	8.2
139.11157	2.0
143.08511	4.8
143.10638	1.8
145.06505	2.1
145.10132	11.9
147.08041	6.8
147.11687	5.3
147.75499	1.2
149.09648	6.3
149.13297	1.8
153.09106	3.7
153.12704	6.3
153.62320	1.3
155.08490	1.9
157.10165	6.4
159.08009	1.5
159.11720	6.3
161.09644	6.0
163.11191	17.7
165.09142	6.1
167.08459	1.4
169.09991	1.2
171.10252	1.7
171.11673	3.4
173.09543	2.7
175.11194	3.8
175.14886	1.9
177.05498	2.9
177.12714	2.4
181.12263	8.3
189.11238	24.5
189.12772	1.4
191.10698	4.8
193.12302	5.1
195.13797	1.4
197.13223	1.4
203.14325	1.3
205.12335	1.6
209.11699	1.5
211.13255	1.7
223.13293	5.4
227.12790	12.3
233.15486	1.6
245.13824	1.4
245.18967	3.6
249.14987	1.6
255.17474	3.6
263.19928	2.3
273.18512	31.5
283.15207	2.1
285.16815	1.8
291.19550	69.6
292.90515	1.5
309.20581	8.6
347.22263	6.2
365.23254	60.1
383.24286	100.0
519.25415	1.6
545.29749	3.7
563.24188	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	563.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01876	13.1
55.05271	2.5
55.05516	29.8
57.03446	7.9
57.07076	1.7
59.05001	2.3
61.02924	1.8
65.03940	3.2
67.05512	34.6
69.03424	4.1
69.07074	17.1
69.26683	11.5
70.06582	6.5
71.05000	3.7
72.08150	1.9
79.05077	3.1
79.05502	36.1
81.03433	12.1
81.07064	68.5
83.04986	14.1
83.08610	14.0
84.08179	2.9
85.02895	5.4
85.06558	2.7
86.09726	3.5
91.05492	23.4
93.07047	25.3
95.04987	18.4
95.08605	18.0
97.02901	3.0
97.06538	9.7
97.10182	27.4
99.08096	4.3
105.07047	19.5
107.04990	7.9
107.08598	21.0
109.06529	9.1
109.10183	11.7
111.04455	12.2
111.08099	8.8
115.05358	1.4
117.07012	8.1
119.08599	21.1
120.08092	1.9
121.06506	7.2
121.10136	14.3
123.08073	23.0
123.11688	2.8
125.06026	3.1
125.09638	24.9
127.03902	1.6
128.06197	1.6
129.07002	6.4
129.10266	2.3
131.08565	12.9
133.06505	3.2
133.10144	9.8
135.08086	8.4
135.11713	8.2
136.07570	1.5
137.09621	8.9
139.11255	1.9
143.08565	5.3
144.62238	1.5
145.10159	13.0
147.08099	10.0
147.11690	7.9
149.09621	8.0
149.13289	2.8
153.09155	3.4
153.12735	7.1
157.10112	4.2
159.08075	1.9
159.11726	4.8
161.09648	8.7
163.11197	19.0
165.09178	9.2
165.12717	1.7
171.10204	3.5
171.11638	3.2
173.09586	4.0
173.13387	1.8
175.11206	5.1
177.12720	2.4
179.10641	1.9
181.12311	7.7
187.11255	2.3
189.11234	21.3
191.10733	4.4
193.12245	8.1
205.12280	2.2
223.13300	5.4
227.12825	17.0
233.15308	1.6
245.13840	2.2
245.19022	4.1
249.14835	1.9
255.17552	3.5
263.20206	2.0
267.16016	2.4
273.18530	42.5
273.21292	3.1
283.15402	3.2
285.17023	2.2
291.19568	100.0
309.20660	9.8
347.22055	7.3
365.23260	92.3
366.23016	1.7
383.24344	48.8
475.21591	2.4
563.26990	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	563.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.6
55.01869	14.6
55.05518	33.1
57.03436	24.9
57.07085	2.9
60.43627	2.1
61.02928	74.2
65.03934	4.8
66.20835	2.4
67.05506	54.2
69.03432	42.2
69.07066	35.3
70.06597	3.1
71.01341	5.9
71.04975	10.3
73.02562	3.2
73.02918	31.8
75.04461	2.8
79.05496	67.3
81.03426	32.6
81.07062	100.0
82.18264	1.9
83.04997	15.2
83.08628	14.7
85.02911	70.3
85.06532	4.6
86.09686	3.5
89.01596	2.4
91.03959	33.3
91.04919	2.9
91.05485	55.0
93.06488	4.7
93.07046	58.4
93.85241	2.5
95.04967	24.5
95.08617	34.2
97.02897	61.9
97.06503	7.4
97.10157	9.7
98.21636	4.4
99.04457	11.0
99.08116	2.6
101.02374	18.1
103.03922	4.7
103.05475	4.7
105.07033	50.5
107.04964	23.5
107.08589	34.8
109.02866	15.9
109.06516	15.9
109.10149	23.9
111.04435	9.1
111.08068	10.3
115.03943	4.8
115.05464	4.4
117.01096	3.4
117.07014	25.4
119.04964	2.8
119.08582	44.9
121.06516	18.6
121.10139	25.4
123.08061	30.6
123.11684	3.3
125.09630	9.4
127.03082	3.7
127.03922	30.7
128.06236	3.2
129.05508	4.2
129.07019	13.1
131.02596	4.3
131.04865	2.2
131.08586	34.5
133.00523	5.3
133.06480	7.5
133.10150	20.5
135.08076	12.9
135.11649	12.6
137.09616	9.3
139.03044	2.5
141.06874	3.3
143.08559	15.7
145.04974	7.3
145.06473	3.8
145.10147	25.7
146.21004	2.7
147.08037	15.8
147.11679	9.1
149.09607	27.2
151.11131	4.7
151.61989	2.5
153.09163	2.4
155.08539	4.5
157.06573	3.0
157.10135	11.7
159.08031	4.1
159.11707	16.4
161.09657	16.1
161.13243	4.3
163.11160	20.9
165.09129	4.1
165.12759	3.0
169.10098	4.9
171.06482	3.0
171.08017	5.9
171.10307	3.4
171.11678	11.4
173.09607	5.1
173.13290	2.8
175.11145	10.7
175.14842	2.8
177.12764	2.9
181.10146	3.8
181.12277	2.8
183.06467	7.8
183.11710	3.6
185.09662	2.4
185.13251	7.3
187.11200	4.7
189.11195	7.7
189.12753	5.4
191.10570	2.9
195.11671	6.0
197.07224	17.2
197.13269	2.3
199.11195	5.7
199.14926	3.2
201.07542	5.5
211.14777	2.6
213.12639	3.4
219.14032	2.9
223.13324	7.0
227.17950	6.2
237.16383	7.3
245.19006	6.8
249.14868	4.6
253.14412	2.8
255.17511	14.9
255.81087	2.3
273.18509	76.5
275.20041	6.9
281.16721	3.7
288.76825	2.2
291.15079	5.0
291.19540	85.8
300.31543	2.4
309.16135	35.5
327.17194	6.0
347.22113	14.6
349.23685	2.9
359.50986	2.5
365.23193	7.2
366.23611	4.5
367.24606	4.1
383.19800	30.5
401.20932	55.1
429.20135	4.4
527.24554	2.7
545.33911	3.1
563.25977	23.4
563.35254	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	562.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01865	2.1
55.05304	1.4
55.05513	14.9
57.03436	7.7
57.07072	1.8
59.85016	1.5
61.02924	4.4
62.67622	1.4
65.03933	1.8
67.05509	36.1
68.05840	2.9
69.03424	3.3
69.07074	12.4
69.30167	7.7
69.30598	5.6
70.07395	1.8
71.04972	3.5
71.49310	1.7
73.02906	2.7
75.04444	1.9
77.39753	1.6
77.99119	1.5
79.05496	44.7
79.46293	1.4
80.05819	2.6
81.03414	3.6
81.06596	2.9
81.07062	44.6
82.07363	1.6
83.04955	3.6
83.08615	8.3
85.02890	6.0
85.06545	3.8
91.03942	2.9
91.05487	45.0
92.05807	1.8
93.06491	2.7
93.07050	48.3
94.07369	2.4
95.04949	5.7
95.08616	23.3
96.08988	1.6
97.02887	2.2
97.06522	5.1
97.10145	4.7
99.08082	2.8
100.97267	1.6
105.04551	2.0
105.07037	42.5
106.07375	2.1
107.04922	3.0
107.08604	27.9
108.08934	1.9
109.06523	4.0
109.10151	14.7
110.10522	1.7
111.08054	3.5
117.07044	15.4
118.07340	2.1
119.08582	37.6
119.09378	3.1
121.06512	1.8
121.10147	23.6
122.10488	1.7
123.08102	3.0
123.11683	3.9
125.09595	3.5
128.06247	2.1
129.07018	9.8
131.08586	21.5
133.10139	31.5
134.10457	3.3
135.08141	1.9
135.11707	22.2
137.09613	3.0
141.06958	1.7
143.08575	10.9
145.10136	18.0
146.10426	2.4
146.62700	1.5
147.11694	31.8
148.06169	1.7
149.09563	4.0
149.13269	12.1
151.11232	2.0
156.09216	1.8
157.10139	9.9
159.11707	13.0
160.12006	2.1
161.09537	2.2
161.13258	19.8
163.11212	4.2
163.14798	4.4
171.11716	9.8
173.13219	9.1
175.11247	2.4
175.14874	9.3
177.12708	2.4
181.10201	2.5
183.11723	2.3
185.13261	13.0
189.11227	1.9
189.12793	2.4
189.16504	2.0
193.12259	2.1
195.11671	1.6
196.74706	1.6
199.14822	4.1
213.16335	3.0
231.21036	5.8
241.19528	24.7
257.19107	1.8
259.20593	67.7
260.20911	2.4
269.17285	1.8
273.18622	1.8
276.20285	4.3
277.21628	3.0
315.23215	1.6
333.24350	4.0
351.25317	100.0
363.25684	1.7
365.26443	1.8
421.29498	4.3
434.31265	1.8
441.26373	3.3
459.27786	2.6
495.29269	2.1
526.35925	5.5
544.30627	1.5
544.37390	19.9
552.62164	1.9
562.38519	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	562.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
53.28753	2.5
53.65475	2.5
55.01865	5.2
55.05515	19.4
57.03425	10.8
57.07075	3.6
61.02918	8.7
62.48715	2.7
67.05180	3.4
67.05511	49.5
68.05830	2.9
69.03423	4.5
69.07072	17.8
69.24154	2.3
70.13467	9.4
71.04984	2.5
73.02930	2.8
78.75090	2.2
79.05499	51.3
80.05851	2.5
81.03411	5.8
81.06593	4.2
81.07065	59.0
82.07383	5.2
83.04976	6.3
83.08624	12.9
85.02893	7.3
85.06551	5.1
89.93867	2.0
91.03973	2.9
91.05489	47.5
92.05842	2.9
92.56543	2.3
93.07050	64.2
94.07381	3.6
95.04969	14.0
95.08611	26.7
97.02882	2.6
97.06531	8.2
97.10140	3.2
105.07038	48.8
106.07405	3.1
107.04958	5.7
107.08604	40.4
108.08929	5.0
109.06519	6.2
109.10179	17.3
111.08077	4.5
117.07018	19.3
119.08594	39.3
121.06513	5.2
121.10158	34.5
122.10497	2.5
123.08067	5.3
123.11717	5.7
124.12014	2.7
125.09630	3.5
129.06970	9.0
131.08569	16.7
132.08836	2.9
133.10130	34.2
134.10435	2.9
135.08015	4.0
135.11702	23.3
137.09642	3.3
138.37090	2.1
140.98462	2.7
143.08583	5.6
145.10146	15.2
146.10434	3.6
147.11699	28.2
149.09624	9.7
149.13274	19.9
151.11234	2.7
157.10104	7.1
159.11699	13.9
161.09599	3.4
161.13278	19.2
163.11157	3.4
163.14832	5.9
164.11472	3.0
165.12720	2.4
171.11691	9.9
173.13277	9.3
175.14818	9.3
177.12735	3.6
183.66510	2.1
185.13268	7.0
189.53123	2.4
199.14851	4.5
213.16475	3.1
217.19444	3.4
223.13278	2.9
231.21077	6.2
241.19498	20.1
259.18066	4.5
259.20609	58.8
269.17377	4.2
270.17892	4.1
273.18542	2.9
275.20047	11.9
276.20450	8.3
277.21588	10.8
294.21579	4.1
332.63333	2.5
333.24158	8.1
347.26001	3.8
350.23929	2.8
351.25314	100.0
375.25427	2.6
421.29453	4.4
495.29736	7.3
544.37244	12.0
562.38995	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	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89459	1.6
53.03941	3.1
55.01871	7.1
55.05518	11.1
57.03447	10.2
61.02926	2.5
67.05186	2.5
67.05511	41.4
69.03426	5.7
69.07069	11.5
69.26618	14.2
70.06585	2.5
71.04985	3.7
72.01728	2.0
79.05493	27.3
81.03407	6.7
81.06592	2.7
81.07060	42.9
81.07532	2.7
82.07364	1.8
83.04989	9.5
83.08631	6.1
85.02901	7.2
85.06544	4.8
86.09715	2.0
91.03949	2.2
91.05484	34.3
93.06492	2.2
93.07047	27.9
95.04961	10.9
95.08618	15.7
97.02882	3.9
97.06544	4.1
97.10183	3.7
98.21584	3.0
105.07042	27.6
107.04948	7.4
107.08603	29.2
109.02879	2.7
109.06516	6.6
109.09473	3.0
109.10160	38.1
111.04457	2.0
111.08073	2.9
113.06079	2.1
117.07008	4.7
119.08572	8.0
120.03107	1.7
120.08960	2.1
121.06526	5.8
121.10136	7.7
123.04381	2.4
123.08062	3.3
123.11684	4.7
127.03870	1.8
131.08586	10.8
131.09402	1.6
133.06483	4.4
133.10141	46.3
135.08049	7.5
135.11740	3.8
137.09644	3.9
138.09802	1.7
143.08528	4.1
145.10115	5.6
147.08055	4.0
147.11690	4.2
149.09599	7.2
151.11171	21.2
157.10164	3.2
159.08070	2.6
161.09602	8.9
161.13266	2.6
163.11168	4.5
169.12236	2.2
171.11690	2.0
175.11124	2.3
185.13246	1.7
188.60350	1.7
189.12698	2.5
215.12830	4.7
223.13365	2.8
245.18970	5.7
249.05365	4.6
250.05858	1.6
253.14368	37.1
255.17508	3.3
263.20016	4.5
269.13773	3.8
271.15387	29.6
273.18512	23.1
275.19775	2.1
285.16956	2.2
291.19522	26.6
337.34821	2.1
347.22284	8.4
365.23260	100.0
383.24097	5.2
544.36432	3.0
562.24939	3.6
562.35529	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	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.6
55.01889	2.5
55.05521	28.4
57.03437	7.9
57.07070	5.8
57.86434	2.1
66.88595	2.0
67.05511	80.5
69.07078	19.1
69.76391	11.7
71.04984	3.2
72.27588	2.2
79.05072	3.7
79.05501	53.5
81.03414	6.1
81.07066	74.1
83.04961	11.7
83.08649	13.8
85.06553	3.9
88.31187	2.1
91.05482	45.6
93.07047	61.7
95.04972	14.8
95.08614	49.2
97.06538	5.9
97.10187	4.1
99.08083	2.9
105.07042	35.6
107.04947	3.5
107.08588	18.7
109.06514	4.8
109.10174	18.9
111.08106	3.9
117.07025	6.1
119.08588	19.4
121.10156	10.6
123.08079	5.2
123.11724	7.6
128.06148	2.7
129.07022	10.7
131.08586	4.2
133.10170	12.9
135.11700	9.8
137.13338	2.8
143.08554	3.1
145.10172	11.9
147.11708	32.8
149.13213	2.8
161.09579	3.4
161.13245	10.5
169.10075	2.3
171.11703	20.7
179.14354	2.3
189.12753	10.2
207.13753	24.7
207.78728	2.1
225.14799	2.5
263.23730	4.8
281.17499	69.9
337.27356	36.3
405.30457	2.2
487.37814	2.8
495.65704	2.6
543.40509	100.0
561.38989	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	561.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.8
55.01878	11.6
55.05518	37.4
57.03447	9.3
57.07078	3.9
63.80392	1.8
65.03954	6.4
67.05511	86.9
69.03427	4.5
69.07074	37.5
71.05006	7.8
75.57722	2.0
76.16453	2.1
79.05496	66.2
81.03439	7.0
81.07062	100.0
83.04987	17.3
83.08621	27.1
83.94987	2.0
84.08162	3.0
85.02916	6.6
85.06573	7.7
91.03976	1.8
91.05485	50.1
91.06013	4.1
93.07048	70.8
95.04972	35.8
95.08609	39.5
95.09171	2.5
97.02917	2.7
97.06528	21.9
97.10177	12.3
99.04488	5.5
99.08141	2.8
105.04532	3.3
105.07040	43.0
105.07675	2.9
107.04973	12.3
107.08607	49.3
107.09298	3.1
109.06529	16.9
109.10157	22.7
111.04464	5.7
111.08094	12.3
115.05514	3.2
117.07021	17.4
119.08606	26.7
121.06557	8.6
121.10152	26.0
123.04453	2.0
123.08078	10.8
123.11749	6.7
125.09687	7.6
125.61565	2.1
129.07051	7.0
131.00145	1.9
131.08588	27.1
133.06520	2.4
133.10147	25.4
133.10963	2.2
135.08040	10.1
135.11690	12.6
136.18213	2.3
137.06088	2.4
137.09648	3.4
139.11208	2.8
143.08612	5.6
145.06532	3.2
145.10146	19.7
147.08102	7.8
147.11713	13.8
149.09641	20.7
149.13264	17.4
151.11198	4.5
153.09311	1.9
155.08540	3.5
157.10217	5.9
159.11720	18.1
161.09723	3.9
161.13353	3.3
163.11223	16.6
165.09117	2.1
165.12871	3.7
167.10803	2.2
169.10199	4.4
171.10342	2.2
171.11778	7.0
173.09737	4.2
173.13327	3.6
175.11241	4.4
177.12849	7.4
181.12280	2.6
183.11848	5.0
187.11282	3.7
187.14955	2.6
189.11212	9.1
189.12767	2.2
195.13916	7.1
197.13373	3.3
199.98209	1.9
205.12378	8.0
207.13954	2.7
223.13272	28.2
227.12933	7.1
229.19691	3.9
229.65939	2.3
233.11763	3.2
239.18170	2.2
247.20702	3.4
257.19034	9.3
269.17487	20.1
273.18686	3.5
275.20071	67.3
289.18112	10.0
293.21161	25.0
349.23782	20.8
365.23453	2.4
367.25040	5.6
376.28336	2.1
381.26434	4.2
451.31943	3.5
469.33420	3.3
525.36005	4.0
543.36920	35.4
561.38086	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01875	12.8
55.05270	2.2
55.05513	26.8
57.03442	8.4
57.07097	1.7
65.03941	4.1
67.05507	82.0
69.03436	5.0
69.07070	34.7
70.06598	1.5
71.04996	5.6
71.10707	1.4
71.52597	1.6
79.05495	52.1
81.03423	6.2
81.07059	100.0
83.04986	7.7
83.08622	17.0
85.02910	2.6
85.06557	4.3
89.56298	1.2
91.04909	1.7
91.05489	47.7
93.07050	56.4
95.04971	14.4
95.08615	41.3
96.72992	1.2
97.06528	20.2
97.10191	8.2
99.08130	3.1
105.07035	40.9
107.04947	12.2
107.08599	36.6
109.06522	16.5
109.10152	24.1
109.10841	1.8
111.08092	6.8
111.11742	1.6
115.05474	1.8
117.07024	15.7
119.08589	32.3
119.09373	2.2
121.06513	6.1
121.10146	22.9
123.04500	2.6
123.08090	7.6
123.11705	8.9
125.06049	2.1
125.09638	6.3
128.06284	1.9
129.06978	6.7
131.08568	23.1
131.09496	1.5
133.06525	3.6
133.10138	27.6
133.11078	2.0
135.08066	7.1
135.11678	11.8
137.05969	2.6
137.09642	8.5
139.07542	2.5
139.11206	2.9
141.07028	1.9
142.07837	2.6
143.08572	7.8
145.10135	18.1
147.08089	4.9
147.11710	17.0
147.12804	1.5
149.09633	14.4
149.13272	17.5
151.07520	1.8
151.11205	3.7
153.09180	1.5
155.08565	1.5
157.10152	8.5
159.08112	2.0
159.11702	16.6
161.09683	4.2
161.13275	6.1
163.11165	8.2
163.14888	3.1
164.01041	1.4
165.09186	2.0
165.12811	5.7
167.08600	1.4
169.10170	4.2
171.10417	1.6
171.11627	6.4
173.09650	3.6
173.11977	1.3
173.13272	7.0
175.11255	2.4
175.14832	1.3
177.12810	4.4
179.14423	1.8
181.10313	1.5
183.11781	3.5
185.13327	3.1
187.11232	2.2
187.14885	2.3
189.11258	2.1
189.12801	2.4
191.14412	1.8
193.12346	2.7
195.12003	2.0
195.13947	6.1
197.13406	3.6
199.14923	2.0
201.12851	1.6
205.12271	1.8
207.13852	1.9
211.14925	2.1
215.14406	1.7
227.12833	3.9
239.18216	1.9
241.14366	1.7
247.20676	3.4
251.16357	1.6
257.19073	5.1
265.21735	2.6
267.16064	3.9
269.17499	31.3
273.18628	2.6
275.20087	59.4
276.20624	1.4
289.18231	1.9
291.19540	1.6
293.21030	7.7
299.23773	1.3
315.23340	2.1
319.63177	1.5
349.23712	22.9
349.27533	1.6
365.23404	1.9
381.26532	1.3
433.31009	3.9
451.32056	6.3
469.33252	4.9
487.34128	2.4
525.36072	9.7
543.36914	46.7
561.38037	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.6
54.12661	2.5
55.01634	3.2
55.01878	48.4
55.05513	53.1
57.03444	65.0
57.07073	5.1
59.05017	5.0
60.02157	2.5
61.02934	65.3
65.03944	4.9
67.05511	82.2
69.03090	3.5
69.03438	49.8
69.07072	40.5
69.62745	11.4
70.06599	16.6
71.01357	10.2
71.04993	12.0
72.08163	6.2
73.02925	42.9
79.05499	56.2
81.03427	37.4
81.07067	70.7
83.04992	32.6
83.08630	24.6
84.04504	6.3
84.08158	12.1
85.02911	60.6
85.06536	2.8
85.42188	2.1
86.09724	8.0
87.04470	8.3
91.03959	34.7
91.05489	45.8
93.07056	54.2
94.07819	2.4
95.04980	37.7
95.08620	33.4
96.05748	9.2
97.02295	4.6
97.02898	68.8
97.06528	27.0
97.10175	38.3
98.07336	5.4
99.04462	16.9
99.08080	2.7
101.02397	14.3
101.06030	8.1
103.03955	7.7
103.05469	3.5
105.03311	2.1
105.07039	30.5
107.04973	23.7
107.08615	38.4
109.02875	24.0
109.06538	29.1
109.10173	38.3
110.07323	4.8
111.04459	6.8
111.08067	6.7
115.03986	2.6
116.04714	26.4
117.05521	4.7
117.07040	17.9
119.04955	2.2
119.08594	29.5
120.08083	3.3
120.09440	2.5
121.06539	11.1
121.10176	18.9
122.07288	6.7
123.04456	10.0
123.08101	17.6
125.09637	35.7
127.03922	24.7
129.05493	80.6
129.07008	7.2
129.10252	5.0
131.08569	19.9
133.06514	8.8
133.10138	18.6
135.08063	17.6
135.11702	19.7
137.05984	5.9
137.09642	54.3
138.10378	11.1
143.07051	32.0
143.08614	5.4
145.04970	15.1
145.10127	13.4
147.08095	12.2
147.11705	13.0
149.09668	11.5
149.13257	3.8
151.03886	3.4
151.07542	6.8
151.11186	2.8
153.09134	7.8
155.10664	16.3
157.08635	60.7
157.10106	10.8
159.08093	3.9
159.11717	6.5
161.09641	8.9
163.11192	13.5
165.09152	4.4
165.12744	5.4
166.09955	2.9
167.10695	7.0
169.10162	2.9
171.10185	16.9
171.11581	4.9
173.09639	5.4
173.11752	7.5
175.11171	8.7
177.09065	3.8
177.12770	7.6
179.10712	3.8
180.11415	2.7
181.12260	4.6
183.06557	9.0
189.11237	18.8
189.12759	3.5
191.10735	5.7
193.12257	13.2
199.13275	3.1
200.14091	18.2
201.07603	5.2
211.13136	4.1
221.11749	35.0
223.13260	4.6
227.12762	8.6
227.17902	2.7
229.14360	10.7
233.15317	2.6
239.12793	20.9
245.19162	5.1
254.10832	2.3
255.17509	5.0
263.20068	4.1
267.15860	2.6
269.17075	2.5
273.18484	23.2
275.20038	4.5
279.19415	2.2
289.17993	5.4
290.18884	4.0
291.19592	23.1
295.15497	13.9
313.16537	7.0
315.19547	2.5
347.22238	10.2
349.23651	3.5
364.22467	3.2
365.23392	14.1
381.22513	4.1
389.23254	2.6
399.10825	6.4
399.23801	100.0
437.14993	2.4
471.85602	2.6
491.26495	2.7
509.27115	4.6
543.27710	3.5
561.29211	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	561.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62996	1.5
53.03940	5.0
55.01879	10.1
55.05507	11.1
57.03442	10.3
57.07080	2.6
61.02918	1.5
65.03935	2.8
67.05505	37.0
69.03421	4.5
69.07069	8.5
69.44873	1.5
70.06600	3.1
70.84938	2.2
70.85260	1.7
71.04984	3.0
73.02908	1.9
78.36571	1.8
79.05495	28.9
80.05826	2.0
81.03413	7.4
81.07057	28.9
83.04991	13.2
83.08631	6.0
83.96883	1.5
85.02899	3.2
85.06569	1.9
91.05485	31.0
93.07049	25.9
94.07339	1.8
95.04972	24.1
95.08606	19.2
97.02890	5.0
97.06543	6.8
97.10200	3.8
99.08141	1.6
103.05467	2.8
105.07037	25.0
107.04953	29.0
107.08599	12.7
108.05748	1.8
109.06522	14.1
109.10156	11.0
111.04456	5.0
111.08107	3.1
112.05269	2.1
113.05995	3.3
115.05442	2.8
117.07040	15.2
119.04990	2.2
119.08581	16.9
121.06509	7.3
121.10174	9.2
122.07281	6.7
123.04425	5.8
123.08072	4.1
123.11768	2.2
125.06021	2.6
125.09642	2.6
127.03881	1.6
128.06226	1.7
129.05484	3.5
129.06996	7.4
131.08577	13.8
133.06506	10.8
133.10144	12.1
135.08067	8.3
135.11679	5.3
137.09644	8.9
142.07829	1.8
143.08556	6.1
145.06488	7.3
145.10130	10.4
147.08049	13.9
147.11688	3.8
149.02339	10.7
149.09669	5.5
149.13312	3.2
150.02705	2.9
151.07524	3.4
151.11180	1.7
155.08566	3.0
157.10143	4.8
159.08113	5.8
159.11700	5.2
161.09613	11.5
161.13223	3.5
163.07465	1.9
163.11215	6.6
165.09050	3.1
169.10129	2.0
171.11748	2.1
173.13338	3.1
175.11205	3.9
177.12715	3.7
183.11800	2.1
187.11160	2.6
187.14856	3.8
189.12816	2.1
191.10606	1.9
197.13255	3.4
199.14561	1.6
203.14305	2.0
205.08673	2.3
205.12244	2.8
205.15956	2.3
215.14301	3.0
233.15366	11.2
251.16348	1.9
269.17426	2.3
273.18567	7.6
275.19992	8.5
276.94876	1.7
289.17883	4.9
290.18759	6.5
291.19617	2.4
307.19107	11.2
315.19525	3.4
325.07339	1.5
335.18570	4.8
349.23718	2.9
365.23203	4.5
381.22726	100.0
458.55856	1.6
466.53854	1.6
543.36304	4.8
561.24591	4.0
561.36871	6.6
585.10571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82397	1.2
53.03942	3.0
55.01872	8.0
55.05508	11.1
57.03436	12.2
57.07068	3.4
61.02914	1.3
61.27874	1.3
65.03943	2.1
67.05181	1.8
67.05507	21.4
67.96709	1.3
69.03420	3.5
69.07066	9.2
69.86403	3.0
69.86810	4.5
70.06575	4.1
71.04976	1.4
72.08157	2.7
73.02906	1.3
79.05074	1.9
79.05492	22.3
81.03408	7.6
81.07063	22.2
83.05000	7.1
83.08595	4.0
84.08159	2.2
85.02900	5.7
85.06548	3.0
86.09695	1.6
91.05489	23.0
93.07045	18.0
95.04977	17.8
95.08609	15.9
97.02895	5.3
97.06525	5.4
97.10146	1.7
98.07322	1.2
103.05431	1.4
105.07037	20.8
107.04218	1.7
107.04960	27.2
107.05645	2.8
107.08596	10.8
107.11612	1.3
109.02862	1.8
109.06522	11.2
109.10169	6.1
111.04436	3.6
111.08070	2.2
112.05216	2.3
112.08749	1.5
113.06016	4.1
115.05463	2.4
117.07024	9.6
119.04927	4.3
119.08585	13.3
121.02872	1.3
121.06539	9.2
121.10146	6.0
122.07263	7.1
123.04416	3.5
123.08084	3.7
123.84853	1.4
127.03889	2.2
128.06238	1.4
129.05499	2.7
129.07016	6.3
131.08563	11.1
133.06512	9.8
133.10139	6.9
134.28703	1.2
135.04408	1.2
135.08060	7.1
135.11699	5.4
137.09621	2.7
139.07567	1.2
141.06969	1.6
141.29649	1.3
143.08528	4.5
145.06508	6.6
145.10123	8.5
147.08060	10.0
147.11723	2.6
149.02348	70.3
149.09616	4.3
149.13324	1.4
150.02687	28.5
151.07629	2.0
155.08516	2.7
157.10127	3.4
159.08057	3.4
159.11685	4.0
161.09624	9.9
161.13257	1.7
163.07585	1.5
163.11169	5.0
165.09100	1.9
169.10089	2.2
170.49263	1.3
171.11632	1.9
173.13071	2.7
175.11147	2.6
177.12711	1.9
179.10785	1.5
185.13170	1.7
187.11212	3.1
187.14873	3.3
189.12724	2.6
191.10634	1.4
195.64783	1.4
197.13226	2.7
197.47128	1.2
203.14386	1.2
205.08626	9.6
205.12317	1.3
205.15889	3.2
206.08989	10.8
215.14337	2.8
233.15337	13.1
251.16394	3.3
261.14871	2.6
273.18533	5.4
275.20041	2.5
277.14346	4.3
278.14682	6.9
289.17953	4.1
290.18710	5.6
291.19516	3.4
304.13266	1.5
307.19073	5.8
315.19333	3.3
325.19977	2.0
335.18655	9.0
347.22089	2.2
364.22214	2.0
381.22736	100.0
399.23837	2.0
454.68970	1.3
483.25873	1.4
492.14529	1.6
543.27454	2.0
561.33514	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	561.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01864	7.0
55.05513	18.5
57.03423	6.0
57.07071	1.8
61.02914	3.0
65.03941	2.2
67.05510	20.1
69.03427	5.7
69.07068	17.3
69.89490	1.8
70.06570	6.8
70.06907	2.0
71.04987	3.3
71.52733	3.9
76.28152	1.7
79.05490	25.1
81.03434	8.7
81.07061	33.6
83.04977	9.9
83.08629	10.1
83.60827	2.1
84.08116	4.3
85.02902	5.7
85.06519	3.2
86.09694	2.8
91.05479	21.4
93.06553	2.4
93.07050	20.3
95.04959	15.6
95.08601	15.4
97.02852	6.5
97.06508	5.6
97.10149	8.1
99.00803	2.3
99.08062	2.3
100.61990	2.0
105.07040	15.8
107.04974	17.1
107.08595	15.7
109.02871	5.8
109.06516	11.8
109.10142	7.6
111.04469	3.6
111.08096	3.7
113.06007	2.0
114.89957	1.9
115.05472	2.2
117.07016	7.2
119.04949	2.9
119.08586	16.0
121.06505	6.2
121.10122	7.1
123.04411	4.2
123.08047	6.5
125.09631	10.1
127.03896	3.7
128.06198	2.1
129.07005	4.3
129.10194	2.6
130.12482	2.0
131.08577	11.2
133.06500	3.8
133.10124	13.3
135.04449	2.9
135.08044	19.6
135.11711	4.1
137.09601	8.2
143.08560	5.9
143.79048	1.9
145.06458	3.7
145.10139	9.0
147.08040	6.2
147.11700	4.6
149.09639	5.2
151.11243	3.2
153.09151	3.2
155.08517	2.8
157.10181	2.6
159.08017	6.0
159.11678	4.4
161.09615	6.4
163.07553	12.0
163.11183	5.3
169.10103	2.7
171.10175	2.5
171.11639	3.3
173.09641	3.4
175.11183	3.3
179.10619	3.9
189.11188	6.0
189.12729	2.1
191.10689	3.1
193.12221	23.0
213.97861	2.3
227.12750	4.6
233.11658	2.8
233.15311	3.9
243.17508	2.7
250.86343	1.8
261.18445	3.8
271.16904	6.2
273.18524	3.3
283.15482	4.5
289.15060	2.5
289.18005	36.9
290.18597	2.7
299.56427	1.9
301.28555	1.9
303.05063	2.2
307.19107	12.4
315.19574	8.6
317.31213	1.7
363.21603	21.0
381.22705	100.0
389.53879	1.8
399.10580	4.0
399.23434	3.0
460.46936	2.2
561.30316	4.3
587.66064	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	560.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.8
55.01863	8.8
55.05508	22.8
57.03435	12.3
67.05507	100.0
69.07071	34.5
70.46173	21.2
76.95055	8.6
79.05488	53.8
81.03422	19.5
81.07069	86.6
83.08606	11.8
85.06528	12.7
86.09677	8.7
89.94802	8.9
91.05522	39.2
92.05810	15.3
93.07053	62.6
95.05002	39.5
95.08604	51.2
95.61376	7.0
97.06557	15.2
97.10175	7.3
98.21503	12.2
100.98086	8.4
104.27410	8.3
105.07028	27.7
107.04941	11.1
107.08618	23.9
109.06524	25.2
109.10168	26.4
111.08106	13.6
113.06010	8.0
117.07083	16.6
119.08611	19.1
121.10174	35.3
123.11755	16.0
131.08589	19.9
133.10135	11.2
135.08072	13.0
135.11707	29.2
136.33482	7.2
143.08577	11.9
145.10146	27.5
146.10457	9.2
147.11697	18.0
149.09630	12.3
149.13257	23.9
155.81056	7.7
159.11736	12.0
161.09604	9.3
161.13293	9.7
163.14804	8.2
173.13332	13.5
184.07440	20.1
243.21091	16.8
261.22116	83.9
273.18683	15.8
274.18945	17.2
291.19568	18.4
292.19937	22.0
303.27029	8.3
335.25848	22.6
353.26953	24.0
450.30966	8.3
502.35306	8.8
542.35419	30.8
555.51654	8.8
560.36957	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	561.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84072	0.6
66.04967	0.7
71.37349	0.7
74.02415	0.7
74.04388	0.6
75.30942	0.5
81.45296	0.6
91.05486	1.5
115.05443	1.0
117.05762	0.8
117.07023	1.3
118.06539	19.3
120.18979	0.5
130.06517	1.2
132.08112	5.1
134.96822	0.6
142.06546	2.4
143.07269	2.8
144.08089	12.4
146.06012	56.4
147.04446	0.9
154.28253	0.6
159.09167	5.6
170.06024	4.8
188.07069	100.0
205.09724	43.8
205.11711	1.3
218.29675	0.6
349.97833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.5
55.01872	3.8
55.05273	2.1
55.05515	31.2
55.05766	3.7
55.29988	1.6
56.61794	1.5
57.03443	15.6
57.07067	4.2
63.68771	1.7
65.03947	4.1
67.05507	96.7
67.37621	1.6
69.07078	20.1
69.15994	18.7
71.04980	3.5
77.03924	2.3
79.05496	96.8
81.03429	10.2
81.07062	83.9
83.04987	17.9
83.08613	13.7
85.06538	5.6
91.05484	79.0
93.07047	100.0
95.04964	17.9
95.08612	57.9
97.06547	8.4
97.10165	4.9
98.21534	3.2
99.08093	2.0
105.04518	3.4
105.07034	50.4
107.04941	5.9
107.08601	34.2
109.06512	6.2
109.10168	18.4
111.08067	2.9
117.07053	11.2
119.08589	35.4
121.06516	2.3
121.10149	24.3
123.08060	5.0
123.11676	5.4
125.09563	2.4
128.06226	3.8
129.07021	15.8
131.08557	15.8
133.10133	17.3
135.08061	2.4
135.11700	12.3
141.07043	3.3
143.08562	11.8
145.10130	18.2
147.08025	2.9
147.11690	38.1
149.13243	7.2
155.08566	2.1
157.10118	4.2
158.13115	1.7
159.11707	8.3
161.09636	4.2
161.13271	15.5
163.11212	2.6
163.14832	3.7
169.10085	4.0
170.34489	1.9
171.11716	29.1
173.13246	5.9
177.12711	1.7
177.16353	1.8
184.12468	1.8
187.14888	2.7
189.12759	12.5
197.13254	3.2
207.13820	27.1
225.14767	3.8
243.21103	4.6
261.22141	13.8
279.16010	4.0
281.17484	81.6
296.85788	1.7
317.24561	2.7
335.25803	48.1
449.34299	1.8
467.35391	2.2
540.81238	1.7
541.38928	79.9
559.40381	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	560.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	22.6
64.40907	7.3
67.05509	54.8
69.03403	6.9
69.07065	15.4
70.34566	18.9
70.34906	7.4
79.05512	42.7
81.07058	70.9
82.07371	6.4
83.08612	10.4
91.05502	31.7
93.07048	33.5
94.07375	7.5
95.04973	16.3
95.08624	46.9
96.92254	6.8
105.07027	23.2
107.08601	30.1
109.10146	25.7
117.06974	11.0
117.69634	6.5
119.08572	21.1
121.10117	28.1
123.11748	13.4
127.73524	8.1
131.08563	21.8
133.10130	18.9
135.11702	24.9
137.13193	9.8
145.10124	15.6
147.11681	8.9
149.13260	13.2
157.10199	6.7
159.11688	17.1
161.13184	10.1
163.14787	9.0
165.12828	6.6
173.13277	10.7
177.16389	8.7
179.14165	7.5
187.14859	14.6
208.33028	7.4
227.53094	6.7
243.21175	31.0
254.65309	7.2
261.22147	100.0
262.86682	6.3
274.18872	6.3
327.77551	7.9
335.25745	9.6
353.26874	52.0
450.20859	7.1
540.95654	7.1
542.35181	16.0
560.36951	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	1.5
51.02355	1.7
53.03949	10.3
55.01870	3.1
55.05514	24.5
55.21497	1.5
57.03443	11.8
57.07055	1.9
65.03933	4.8
67.05507	86.8
69.03412	1.6
69.07072	18.8
70.76107	4.5
71.04976	4.8
73.06527	1.8
77.03917	2.8
79.05495	100.0
81.03429	10.6
81.07056	84.5
83.04992	14.0
83.08621	10.1
85.06528	4.3
85.28436	1.5
91.04904	2.9
91.05482	68.7
93.07047	91.8
95.04971	19.0
95.08611	52.7
97.06535	5.4
97.10158	3.1
99.08081	2.1
105.04536	3.5
105.07033	50.3
107.04992	7.9
107.08601	31.6
109.06496	6.3
109.10165	16.2
109.54654	1.4
111.08081	3.1
117.07048	13.4
119.08580	30.7
121.06464	3.3
121.10152	17.7
123.08040	6.4
123.11716	4.5
128.06288	1.8
129.07018	17.6
131.08592	12.0
133.10127	16.0
135.11708	11.0
137.13277	1.8
143.08543	11.0
145.10132	15.8
147.11688	39.2
149.13252	4.7
157.10138	2.7
159.11674	5.5
161.09633	3.8
161.13222	14.0
169.10112	2.8
171.10292	2.2
171.11694	30.1
173.13226	4.2
175.14822	1.5
187.14749	2.5
189.12764	11.2
207.13828	25.0
243.21320	1.6
259.20612	2.6
261.22189	7.8
266.80972	1.7
279.15829	3.3
281.17502	47.9
317.24625	3.4
335.25806	51.5
449.34186	1.7
467.34637	2.1
541.38904	71.6
559.40277	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.7
51.26105	1.7
53.03947	9.5
55.01871	2.9
55.05268	2.6
55.05515	29.4
57.03220	1.6
57.03440	15.8
57.07075	2.0
61.35551	1.7
61.54958	1.8
65.03934	6.0
67.05511	92.5
69.06729	2.0
69.07076	20.3
70.98251	4.9
71.04993	4.3
79.05500	100.0
81.03419	6.7
81.07066	79.1
83.04982	14.4
83.08624	13.1
85.06551	3.3
91.05488	72.4
93.07053	93.6
95.04984	20.3
95.08616	58.6
97.06549	5.1
97.10193	3.7
99.08095	3.1
105.04520	4.4
105.07043	56.9
107.04964	6.1
107.08612	34.8
109.06525	7.0
109.10166	15.1
111.08089	2.5
115.05411	3.2
117.07027	14.8
119.08599	31.1
121.06469	2.1
121.10163	20.3
123.08083	5.2
123.11701	8.0
128.06175	2.1
129.07021	18.5
130.42639	1.6
131.08578	14.0
133.10144	16.0
135.11711	13.0
137.09627	3.1
137.13246	2.1
141.06964	2.3
143.08577	9.8
145.10130	14.9
147.08025	4.4
147.11703	38.1
149.13290	5.7
155.08542	2.8
157.10129	2.7
159.11722	6.6
161.09610	4.1
161.13257	14.6
161.14401	2.2
169.10168	3.6
171.11688	26.0
173.13365	5.2
175.14903	2.3
179.14325	1.6
183.11711	2.4
185.13335	4.0
187.14886	2.8
189.12738	10.3
205.78786	2.0
207.13783	25.2
225.14847	1.9
229.35085	1.9
243.20966	4.4
246.12376	1.9
259.20554	2.4
261.22144	15.3
279.16077	3.2
281.17505	76.1
299.23355	1.7
330.84457	2.0
335.25909	36.2
541.39014	76.3
559.39972	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56421	1.7
53.00282	1.8
53.03942	6.0
55.01867	4.9
55.05518	26.5
57.03445	2.4
57.07063	3.4
65.03964	1.7
65.99666	2.5
66.08558	1.6
67.05509	49.8
69.03426	1.9
69.07072	16.2
71.05002	3.6
71.08639	1.8
79.05503	38.8
81.03439	4.4
81.07059	47.6
83.04983	6.7
83.08630	15.9
85.06533	2.5
90.73733	1.5
91.05491	29.4
93.07048	40.0
95.04981	6.4
95.08611	28.2
95.76184	1.4
97.02899	2.6
97.06540	5.2
97.10174	17.4
99.00830	3.3
99.04476	1.9
105.07038	28.3
107.04983	6.6
107.08602	25.7
109.02891	7.4
109.06532	4.1
109.10181	15.6
111.04462	4.0
111.08091	5.1
115.05433	2.4
117.07014	13.1
119.08581	18.7
121.06526	4.0
121.10134	15.9
123.04399	2.4
123.08072	4.0
123.11732	5.3
125.09635	14.0
128.06236	3.9
129.06985	7.9
131.08577	16.0
133.06470	2.5
133.10132	25.0
135.08046	4.1
135.11711	12.0
137.09621	3.3
141.07013	3.5
142.07843	2.7
143.08562	10.3
144.09285	1.8
145.06451	2.7
145.10135	16.0
147.08119	2.6
147.11710	9.4
149.13268	6.2
151.11220	5.9
153.09196	2.5
155.08560	5.5
157.10126	7.7
159.08116	2.2
159.11740	13.6
161.09607	8.9
161.13297	6.6
163.11192	3.8
169.10150	5.4
171.10428	2.1
171.11697	7.6
173.09549	2.5
173.13301	6.3
175.11050	2.0
175.14821	3.1
177.12892	1.8
179.08511	2.1
179.10710	4.5
181.10162	2.8
183.11771	4.5
185.09682	1.8
185.13287	4.3
187.11285	2.3
187.14845	3.2
189.09175	4.4
189.11279	4.8
193.10226	2.0
195.11772	3.5
197.11702	2.1
197.13356	5.2
199.14868	3.4
209.13364	2.6
211.11166	2.5
225.11272	6.2
227.12808	5.2
238.50845	1.7
243.20938	2.3
259.20615	3.6
261.22144	10.0
275.20221	2.3
277.21524	3.3
281.13910	6.2
287.23779	4.8
289.21991	1.8
297.22064	3.2
313.21536	3.3
315.23233	22.6
323.23663	1.7
403.30032	3.6
421.31067	7.2
431.29218	2.9
437.34833	1.6
439.32068	6.1
449.30591	11.2
457.33435	3.9
467.31607	17.2
485.32523	13.2
513.35876	15.9
515.37488	4.4
523.34149	2.9
531.36743	21.8
541.35266	60.5
559.36359	100.0
559.43420	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	558.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
57.07080	5.0
57.22339	0.6
58.06592	2.1
65.76897	0.6
67.05508	1.8
69.07076	1.0
70.06596	14.7
71.08630	2.7
79.05486	1.5
81.07053	2.3
84.08153	0.9
85.02904	0.9
85.69869	0.6
86.38435	0.6
88.07636	19.6
91.05478	1.2
93.07034	1.5
94.07307	0.5
95.04943	0.8
95.08589	0.7
97.06511	0.6
102.09184	12.6
105.07053	0.9
109.83392	0.6
119.08630	0.6
121.10126	0.7
122.60947	0.6
122.78426	0.7
135.11745	0.7
145.10143	0.8
149.02350	35.8
175.03915	0.8
175.11017	0.7
193.04973	40.7
200.20105	39.7
219.06558	1.4
225.05455	1.0
229.76369	0.9
269.04568	1.7
273.18631	0.7
297.03973	1.6
313.07040	2.3
341.06604	9.4
351.97980	0.7
359.07663	5.2
385.09186	47.2
417.20459	1.4
558.27008	100.0
575.28406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.01860	3.5
55.05512	18.6
57.03431	4.9
57.07078	2.6
60.04262	1.0
64.32780	1.2
65.03948	2.9
67.05510	37.0
68.92255	1.1
69.03436	1.3
69.07069	13.4
69.78710	2.5
69.79129	5.7
71.04990	3.6
71.08627	1.1
72.08156	7.1
74.09688	1.3
75.72124	1.0
79.05079	1.9
79.05500	29.5
79.11323	1.1
81.03391	3.3
81.07056	35.5
81.07535	2.0
83.04976	3.7
83.08620	8.8
85.06525	2.7
91.05486	31.3
93.07045	32.5
95.04994	7.3
95.08611	26.8
97.06528	3.7
97.10161	5.2
99.08099	1.7
105.07043	33.2
107.04946	5.7
107.08607	18.7
109.06493	2.4
109.10180	11.6
111.08071	2.0
115.05447	2.5
117.07022	16.0
119.08590	22.1
121.06507	1.8
121.10144	10.6
123.08073	2.9
123.11733	3.0
125.09668	2.9
128.06252	4.6
129.07019	14.4
130.07768	2.1
131.08575	23.4
133.10129	16.3
135.08023	2.0
135.11674	8.4
137.09621	2.7
139.11223	1.3
141.07013	7.9
142.07782	3.0
143.08568	21.1
145.06525	2.1
145.10110	19.0
147.08118	1.5
147.11696	15.8
149.09579	2.6
149.13313	3.1
151.29488	1.4
152.26357	1.2
153.06946	1.4
155.08572	17.3
156.09419	1.4
157.10121	17.1
159.11703	15.0
161.09624	1.4
161.13248	12.1
163.11130	2.2
163.14867	1.4
165.07004	2.2
167.08510	6.4
169.10121	17.7
170.10910	1.4
171.08076	3.5
171.11681	22.1
173.13271	12.5
175.14810	3.9
177.12801	1.6
179.08540	2.2
181.10141	11.4
183.11713	15.8
185.09702	1.3
185.13268	9.0
187.11255	1.8
187.14828	4.5
189.12740	3.1
189.16414	2.3
193.10150	3.5
195.11659	9.6
197.09560	1.4
197.13264	10.2
199.14870	5.3
201.16479	1.7
205.12320	1.6
207.11679	3.3
207.13826	3.8
209.13286	6.7
211.14822	8.0
213.12817	2.0
213.16382	6.7
215.66216	1.2
221.13338	2.9
223.14815	4.5
225.16452	3.8
227.17987	1.8
229.15990	1.3
235.14851	2.2
237.16435	2.3
239.17999	2.1
241.19519	6.9
247.17018	3.0
249.16359	1.6
251.18018	2.6
257.19156	2.0
259.20581	13.4
261.22073	1.6
265.19458	1.5
269.19104	1.3
279.15704	6.6
279.20950	1.6
281.17365	11.1
285.22211	1.5
295.20697	2.3
297.22067	2.3
315.22794	1.5
321.22195	1.2
325.21716	1.8
325.25104	1.3
327.23264	1.5
333.24240	6.0
335.23587	2.1
337.25146	2.1
341.24677	1.4
353.24747	2.4
367.26202	1.8
419.33032	2.2
429.31540	3.5
437.34232	9.8
447.32660	19.8
465.33679	25.9
483.34598	13.6
493.36630	1.4
498.47681	1.2
501.35687	2.1
503.35474	1.4
511.37735	3.8
521.36060	10.2
527.37250	3.7
529.38922	6.2
539.37329	100.0
557.38336	67.5
557.52332	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03946	3.7
55.01869	2.1
55.05267	1.6
55.05514	18.3
56.87148	0.9
57.03438	5.2
57.07089	1.4
57.59564	0.8
62.42814	0.8
65.03952	2.1
67.05508	33.9
69.03426	1.7
69.07075	14.0
71.04992	2.8
78.38892	0.7
79.05493	30.0
81.03419	3.1
81.07059	38.3
83.04989	3.4
83.08633	7.9
85.06541	2.3
91.04912	1.4
91.05484	30.9
93.07050	31.3
95.04973	4.9
95.08614	25.2
97.06513	4.7
97.10175	4.8
99.08118	1.1
103.05499	0.9
105.04527	1.1
105.07034	28.2
107.04960	3.4
107.08605	16.4
109.06529	2.4
109.10161	9.7
111.08109	2.7
115.05479	3.0
116.06305	0.8
117.07024	14.9
119.08589	24.3
121.06561	3.0
121.10148	8.6
123.08065	4.4
123.11742	2.0
125.09674	2.3
128.06258	3.2
129.05594	1.2
129.07014	19.0
129.07930	1.5
130.07800	2.2
131.08577	25.3
131.09526	1.6
133.06502	1.4
133.10127	14.9
134.68610	0.9
135.08076	1.7
135.11700	6.9
139.11191	1.1
141.06984	7.2
142.07826	3.6
143.08571	21.8
145.06537	1.4
145.10132	24.7
147.08051	1.5
147.11699	18.0
147.12784	1.2
149.09656	2.6
149.13301	3.5
151.11139	1.0
153.07062	2.0
154.07822	2.0
155.08571	15.5
156.09344	1.1
157.10146	17.2
158.10890	1.0
159.08127	2.0
159.11690	15.4
159.12866	1.1
161.09659	2.2
161.13261	10.0
163.11209	2.1
163.14821	1.5
165.07086	1.8
166.07863	1.1
167.08580	6.9
168.09399	1.7
169.10133	21.9
170.10986	1.1
171.08086	1.2
171.11699	20.3
173.09724	1.4
173.13255	9.9
175.11237	1.3
175.14864	4.3
179.08644	2.6
181.10149	13.0
182.10948	1.5
183.11710	17.3
185.09738	2.0
185.13260	12.1
187.11276	3.4
187.14827	5.4
189.12820	1.6
189.16493	1.2
191.14392	1.0
193.10191	2.8
194.10768	0.9
195.11707	12.0
197.13264	14.2
198.21071	0.8
199.11224	1.8
199.14856	7.8
201.16452	2.9
203.14371	1.4
205.10262	1.4
207.11774	3.2
207.13826	2.6
208.61613	0.8
209.13289	9.0
211.14851	7.6
213.12865	1.6
213.16382	8.5
213.68228	1.0
215.18068	1.4
219.11716	2.6
221.13309	3.7
223.11237	1.0
223.14804	5.8
225.16391	4.0
227.14436	1.4
229.54784	1.1
231.21181	1.2
233.13310	1.1
235.14944	3.5
237.16405	4.1
239.18057	1.9
241.19551	6.1
247.14796	1.8
247.17044	2.9
249.16374	1.0
257.19095	2.0
259.20621	12.5
263.18069	1.4
267.17572	0.9
275.20218	1.5
277.21841	1.4
279.16055	3.4
279.21133	1.4
281.17377	7.8
281.22482	1.2
293.18854	1.4
295.20724	1.6
297.22159	1.6
299.20203	1.3
299.23831	0.9
307.20517	1.3
309.22232	2.0
311.20187	1.3
311.54993	0.9
315.23459	1.6
319.92352	0.9
321.22244	2.2
323.23831	3.0
325.21765	1.6
327.23639	1.0
333.24298	5.2
335.23816	3.4
337.21820	1.3
339.23276	1.3
339.27261	0.9
341.24707	2.0
349.25348	2.3
353.24811	1.9
355.26416	1.0
365.24792	1.4
367.26627	1.8
419.33124	4.3
423.84204	0.9
429.31522	5.3
437.34155	8.1
447.32617	20.5
447.38525	1.3
465.33676	21.4
483.34747	12.7
501.35864	2.8
503.35468	1.6
509.35413	1.3
511.38113	1.8
521.36200	8.2
527.37537	2.5
529.39154	7.9
539.37366	100.0
540.37836	1.6
557.38513	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44168	1.3
53.03940	3.7
55.01865	3.4
55.05516	16.9
57.03423	6.7
57.07077	4.8
59.04997	1.4
65.03943	1.6
66.10553	1.5
67.05510	35.9
69.07067	15.9
71.02507	2.8
71.02830	1.4
71.04994	3.3
71.08607	2.2
76.00259	1.3
79.05494	32.0
81.03391	2.9
81.06593	2.4
81.07056	43.5
83.04974	3.5
83.08621	9.6
85.06522	3.3
87.04433	2.4
89.06028	8.7
89.42183	1.5
91.05484	31.6
93.06503	1.9
93.07052	36.4
95.04983	7.4
95.08617	32.6
97.06514	4.2
97.10157	4.5
99.08117	1.7
104.48596	1.6
105.04554	1.9
105.07034	34.3
107.04945	4.4
107.08598	18.6
109.06514	3.7
109.10143	10.0
117.07011	17.7
119.08587	24.9
121.06483	2.1
121.10153	13.6
123.08067	2.4
123.11674	4.1
125.09582	4.1
128.06224	2.5
129.07005	16.0
131.08580	25.8
133.08591	3.6
133.10141	20.2
135.07973	2.0
135.11688	6.4
141.06960	5.5
142.07767	4.4
143.08565	21.8
145.06448	2.4
145.10127	25.1
147.08041	3.0
147.11707	16.0
149.09610	2.3
149.13240	3.3
154.07729	3.4
155.08559	15.4
156.09306	2.3
157.10130	20.4
159.11711	17.7
161.09671	1.5
161.13258	9.3
163.11154	2.5
167.08536	6.8
169.10130	21.6
171.10307	1.8
171.11703	23.7
173.09538	1.9
173.13261	12.0
175.14769	4.4
177.12686	1.8
179.08469	2.5
180.09320	1.7
181.10146	11.2
183.11705	13.9
185.13289	11.2
187.11214	3.0
187.14806	5.4
189.12793	2.4
193.10072	3.3
194.10870	2.5
195.11673	10.0
197.13257	12.1
199.11206	2.2
199.14793	7.0
201.12791	1.9
201.16389	3.4
205.09885	1.9
207.11690	3.8
207.13788	4.3
208.12502	1.6
209.13272	7.4
211.14857	9.6
213.16345	7.8
217.04910	1.6
219.11658	2.0
221.13341	3.6
223.14844	3.3
225.16324	3.6
235.14807	2.8
237.16454	4.0
239.17960	2.6
241.19511	6.6
247.17003	2.1
257.18973	1.7
259.20618	15.6
265.19504	1.9
279.16043	3.0
281.17435	10.8
282.19846	1.7
297.22012	2.9
313.21552	2.0
321.22098	2.3
323.23660	2.4
333.24139	6.7
335.23682	2.8
339.23196	3.9
349.25140	1.9
353.24823	2.9
379.26169	2.3
419.33072	2.2
429.31540	5.3
435.32745	1.8
437.34283	7.4
447.32501	19.7
465.33664	20.2
483.34775	15.5
501.35751	1.7
521.36151	8.4
527.36926	2.7
529.38770	6.9
539.37335	100.0
557.38251	69.9
557.52344	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01877	1.7
55.05520	15.8
57.03438	5.7
57.07071	2.2
65.03949	3.5
67.05510	31.3
69.03446	1.1
69.07072	11.9
71.04997	1.8
71.38903	1.9
79.05501	26.0
81.03378	1.5
81.07066	33.5
83.04961	2.7
83.08630	8.9
85.06552	2.7
85.21636	0.9
91.05488	30.4
93.07049	29.3
93.28281	0.9
95.04979	3.7
95.08617	22.0
97.06536	2.7
97.10179	4.7
99.08092	1.1
105.07038	29.4
107.04990	3.1
107.08606	16.1
109.06547	2.0
109.10177	8.5
111.08112	1.2
113.09653	0.9
115.05494	1.5
115.44317	0.9
117.07023	12.3
119.08592	21.8
121.10149	8.5
123.08096	3.3
125.09654	2.8
127.68745	1.0
128.06245	3.2
129.07021	15.1
131.08577	23.5
133.10139	15.5
134.98947	0.9
135.08104	2.5
135.11739	6.2
139.11188	1.0
141.07002	5.9
142.07793	2.7
143.08574	20.5
145.06464	2.3
145.10130	20.2
147.08046	2.5
147.11708	13.6
149.13284	4.4
153.07007	2.0
155.08559	14.8
156.09398	2.1
157.10126	18.0
159.08089	1.7
159.11716	13.6
161.09714	1.4
161.13254	9.3
162.02731	0.9
163.11203	1.7
163.14845	1.6
166.07884	1.8
167.08521	6.6
168.09418	1.9
169.10127	19.3
170.10947	1.3
171.08078	0.9
171.11700	19.0
173.09642	1.2
173.13268	9.1
175.11160	1.5
175.14896	4.3
177.12825	1.4
179.08542	2.2
181.10124	11.8
182.10866	1.3
183.11699	13.0
185.13280	12.5
187.11226	2.5
187.14848	3.9
189.12796	3.1
193.10168	2.0
195.11761	7.8
195.13353	1.3
195.31317	1.0
197.09552	1.0
197.13286	12.4
199.11125	1.2
199.14851	8.0
205.10181	1.4
207.11716	3.5
207.13829	4.0
209.13301	7.5
211.14847	7.0
213.12796	1.0
213.16486	7.0
221.13306	3.4
223.14880	7.1
225.16489	3.2
231.17621	1.4
231.21275	1.2
235.14868	3.7
235.16969	1.6
237.16457	2.5
239.18079	1.9
241.19543	6.2
247.14731	1.4
247.17079	1.5
249.16362	2.0
249.72398	1.1
251.17876	1.6
255.17473	1.2
257.19229	2.0
259.20572	12.3
267.19962	1.0
279.16028	3.0
281.17395	7.8
297.18887	1.2
297.22083	2.2
299.23825	1.4
307.20605	1.6
309.22287	1.4
313.21765	1.2
321.22006	3.0
323.23825	2.6
325.21393	1.2
333.24326	4.5
335.23706	1.9
339.23294	1.6
341.24954	1.7
349.25211	1.6
355.26419	1.1
365.25018	1.5
379.26401	1.2
419.33017	2.3
429.31531	5.6
437.34451	8.6
447.32648	18.9
465.33606	21.4
483.34738	14.0
485.33972	1.6
501.36133	2.6
503.35602	2.5
511.38049	1.4
521.36108	8.0
527.37451	2.5
529.38977	8.4
539.37372	100.0
557.38434	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	557.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00488	0.4
65.03626	0.4
65.03944	5.4
67.05502	1.8
69.03414	1.2
69.40962	3.0
70.06594	4.1
71.04138	0.4
72.08141	1.1
79.05503	0.5
81.03416	0.4
82.04193	1.8
84.04488	0.7
84.08136	1.2
85.02908	3.8
86.09713	0.8
91.05470	0.5
93.03400	1.0
95.04948	0.9
97.02885	1.1
97.06512	1.7
108.02103	1.1
110.03664	2.2
110.07185	0.5
111.04436	0.7
111.52103	0.4
114.03092	0.4
123.00760	0.5
125.05981	1.6
129.10234	0.8
137.05881	0.4
138.03122	1.6
140.04689	0.4
142.02666	2.1
142.75391	0.4
146.16519	0.5
153.05446	1.2
160.05092	1.3
167.03383	0.7
171.06549	3.1
173.33742	0.4
181.04967	100.0
182.05322	0.9
189.61655	0.4
192.07614	2.0
199.06186	0.4
231.94810	0.4
277.49429	0.4
341.08740	0.4
344.56537	0.4
359.09448	1.9
416.80170	0.4
530.87469	0.4
539.13770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3476
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
52.70200	1.0
53.03942	3.5
55.01876	6.6
55.05515	36.7
57.03432	4.7
57.07064	1.1
65.03934	1.8
67.05509	43.4
69.03429	4.0
69.07072	15.8
69.38342	7.8
71.04991	4.0
77.03947	1.2
79.05496	33.4
81.03426	4.9
81.07060	38.1
83.04988	4.9
83.08619	18.9
85.02880	1.3
85.06533	2.7
91.05482	37.8
93.07055	28.4
95.04965	6.5
95.08615	19.2
97.02876	2.2
97.06553	4.3
97.10174	22.3
99.00851	1.4
99.08112	1.9
101.06001	1.3
103.05473	1.8
105.07036	32.4
107.04975	5.7
107.08601	24.7
109.02892	6.6
109.06525	6.0
109.10178	12.5
111.04504	1.7
111.08086	4.4
115.05454	2.5
117.07022	20.7
117.07764	1.9
117.60923	1.1
119.04979	1.6
119.08586	23.8
121.06497	2.9
121.10139	6.8
123.04478	1.4
123.08065	4.3
123.11737	1.6
125.09645	17.4
128.06233	4.2
129.07004	14.3
130.07826	1.6
131.04970	1.7
131.08574	27.4
133.06516	3.4
133.10152	18.0
135.04416	1.2
135.08067	5.6
135.11703	5.3
137.06039	1.2
137.09630	1.4
141.06992	6.8
142.07784	4.0
143.08553	16.4
144.09444	1.3
145.06487	4.2
145.10126	23.3
147.08067	4.9
147.11697	9.1
149.09625	3.6
149.13290	1.9
151.07585	1.5
151.11237	2.1
153.06975	1.8
153.09177	1.8
154.07794	1.7
155.08585	10.9
156.09349	2.3
157.06490	1.8
157.10118	13.0
159.08096	3.9
159.11707	16.6
161.09593	6.7
161.13268	5.9
163.11241	5.2
166.07712	1.7
167.08575	5.5
168.09244	1.3
169.10126	14.0
170.07300	1.4
171.08130	3.9
171.11705	13.1
173.09683	4.1
173.13263	7.0
175.11217	1.2
179.08641	2.8
179.10672	1.9
181.06360	1.4
181.10152	6.5
181.12094	1.5
182.10945	1.4
183.08049	2.0
183.11700	11.5
185.09641	4.2
185.13240	8.9
187.11234	3.8
187.14876	3.3
189.09178	3.8
189.11235	8.1
189.12683	1.6
193.10153	3.5
193.12117	2.2
195.08026	2.1
195.11700	7.7
197.09676	3.0
197.13251	7.0
199.11229	3.6
199.14873	3.1
201.12807	2.2
201.16402	1.4
205.10176	2.2
207.11761	2.7
209.09688	1.5
209.13295	4.3
210.13962	1.3
211.11310	2.3
211.14841	3.9
213.12747	1.6
213.16397	2.7
215.10814	1.3
219.11697	1.2
221.13335	3.5
223.14839	2.9
224.12074	1.4
225.11018	2.1
225.13040	1.6
225.16458	2.4
227.10847	1.8
227.12621	5.5
229.15926	1.5
229.19623	1.3
233.13243	4.2
235.14868	3.1
237.12798	1.7
239.14374	1.7
239.17998	1.7
247.14938	1.8
249.16489	1.9
251.17885	1.2
257.19022	4.9
259.20660	4.3
269.18948	1.9
271.16980	2.4
275.20190	8.8
281.13855	9.8
283.20642	1.8
285.19229	1.5
285.22092	8.3
287.20132	2.2
289.17950	1.6
295.20578	2.0
297.18512	1.6
305.18744	1.4
309.18381	1.2
311.20035	5.7
313.21643	14.3
321.18378	1.6
325.21747	2.2
329.21414	1.6
335.20120	1.3
337.21689	1.7
339.23141	1.3
343.22900	1.3
353.21191	1.7
385.23224	1.3
391.30585	1.4
401.28366	3.3
409.31250	1.7
419.29587	10.1
421.31104	1.7
427.06964	1.2
429.28021	5.1
437.30530	10.2
447.28949	18.3
455.31696	5.0
459.24710	1.4
465.30032	39.1
473.32516	2.4
483.31009	23.5
493.33057	2.2
501.32452	1.7
511.34167	16.2
513.36157	5.5
521.32959	4.9
529.35278	44.4
539.33685	87.7
540.34039	1.4
557.34808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.9
57.07078	31.6
67.05502	1.3
69.07074	3.7
71.08238	1.4
71.08634	24.7
71.52682	1.1
73.06553	7.2
76.51212	0.5
79.05534	0.6
81.07051	1.6
83.08622	1.6
85.10186	15.2
87.04489	4.4
89.06033	100.0
91.05461	0.8
91.07584	0.9
95.08546	0.7
97.10183	3.3
99.11734	4.9
105.07011	0.6
107.07082	1.6
107.08607	0.6
109.10159	0.7
111.11731	2.7
113.13301	2.6
117.09132	4.8
119.00455	0.8
119.08611	0.9
127.14898	0.8
130.08640	3.5
131.07091	1.5
133.08607	49.4
135.10162	1.0
161.11761	0.7
166.72513	0.6
169.19499	3.3
177.09682	1.2
177.11227	23.8
179.12827	0.7
186.15210	0.5
195.12294	1.2
213.22208	2.3
221.13785	4.3
222.04956	0.6
257.24756	10.3
262.20181	0.6
265.16486	1.1
283.17584	2.7
283.26505	0.8
300.29047	0.9
301.27332	6.6
309.19138	0.8
327.20187	2.4
353.21402	1.0
371.22842	14.0
451.36691	0.9
495.38818	1.1
538.34302	0.6
539.41620	15.1
556.44104	2.7
556.53162	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	556.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43700	0.9
55.05515	4.9
57.07081	58.4
58.07421	1.6
67.05506	4.5
69.07071	7.0
71.08636	45.3
73.06550	5.5
79.05488	1.5
81.07053	4.2
83.08633	4.9
85.09676	1.3
85.10191	32.5
87.04459	6.9
89.06038	100.0
90.17599	1.0
91.05482	1.9
93.07063	2.2
95.08600	4.0
97.10173	4.7
98.98483	8.8
99.11730	10.0
103.03944	2.6
105.07018	2.1
107.07124	1.7
109.10151	1.2
111.11751	5.2
113.13318	5.6
117.09132	6.5
130.08655	2.6
131.07053	1.3
133.08611	64.9
136.23494	0.9
155.01036	12.6
156.01366	2.2
161.11765	1.3
169.19525	2.6
175.09682	1.4
177.11241	32.1
199.11038	0.9
213.22096	2.7
221.13823	8.7
239.14885	2.3
257.24728	8.4
260.94733	1.1
265.16479	1.9
283.17557	3.7
301.27441	7.8
313.27417	2.2
314.27634	8.3
327.20065	2.7
371.22821	16.8
402.29773	1.0
407.33890	1.6
451.36197	1.3
495.38837	1.2
539.41663	27.4
556.36395	1.7
556.43878	7.6
556.53021	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	555.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.4
52.64344	1.0
53.03951	10.5
55.01875	9.9
55.05516	26.8
57.03447	4.8
57.07067	2.7
61.53627	0.9
65.03941	4.0
67.05508	62.6
69.03438	2.8
69.07069	27.8
69.54842	4.7
69.55254	2.3
70.06594	1.0
71.04993	4.2
73.06569	1.5
77.03918	1.7
79.05019	2.4
79.05497	79.0
81.03425	10.9
81.07059	85.2
83.04982	12.7
83.08629	14.0
85.02905	1.8
85.06561	5.5
91.05486	74.6
93.07050	57.7
95.04973	20.9
95.08611	33.5
97.02882	1.4
97.06534	14.6
97.10165	6.9
99.08124	1.8
103.05484	2.0
105.04530	2.3
105.07038	56.2
107.04964	15.0
107.08599	37.5
107.09741	1.0
109.06518	21.1
109.10167	15.1
111.08101	3.3
113.09679	1.7
115.05474	3.3
116.06297	1.3
117.07014	20.1
119.08586	38.8
121.06493	4.6
121.10151	12.9
123.08080	7.2
123.11722	3.2
125.09658	4.0
128.06247	3.9
129.07021	15.2
130.07803	2.2
131.08582	24.1
133.06506	1.8
133.10138	23.8
135.08063	6.1
135.11716	8.6
137.09656	3.8
137.13306	1.0
141.07004	5.5
142.07771	1.7
143.08568	12.4
145.06555	1.5
145.10130	33.5
147.08070	3.6
147.11693	27.8
147.12794	1.7
149.09616	14.8
149.10716	0.9
149.13293	4.3
151.11205	2.6
154.07834	1.7
155.06133	1.7
155.08556	4.8
157.10149	7.9
159.08069	1.5
159.11702	16.0
161.09630	5.4
161.13255	9.7
163.11203	10.4
163.14790	1.1
165.09116	1.0
165.12711	1.7
167.08624	1.5
168.09355	1.6
169.10135	7.3
171.11711	19.6
173.09689	1.4
173.11916	1.5
173.13278	7.9
175.11331	1.4
177.12811	2.6
179.14322	5.2
181.10150	2.2
183.11707	7.8
185.13289	3.4
187.11246	2.9
187.14871	2.9
189.11259	2.1
189.12831	4.8
191.14378	1.5
193.12291	1.5
195.11780	1.8
197.13342	4.4
199.14801	1.3
201.12740	1.8
205.12239	1.5
207.11855	2.2
207.13869	12.0
209.13365	1.9
211.14926	1.2
219.13826	1.2
223.14967	1.5
225.12845	1.1
225.14806	2.0
227.12885	1.6
229.19540	5.1
239.17993	5.8
247.20676	4.1
257.19037	21.9
257.21582	1.6
275.20081	71.4
281.17407	8.6
293.21158	7.7
313.21564	1.3
331.22754	4.6
349.23962	2.7
408.21344	0.9
429.30338	1.8
445.30972	2.3
463.32178	3.7
481.33353	2.9
523.42566	1.0
537.36005	13.0
555.36975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16251	0.9
57.03444	1.0
58.99583	3.2
61.02932	1.7
67.05496	3.3
69.03424	3.6
69.07065	7.1
70.06589	3.2
71.26582	2.1
73.02936	9.1
76.02226	1.5
84.08138	3.7
84.96030	1.0
85.02923	5.0
88.03999	1.1
89.03880	1.1
91.05474	2.6
95.04911	1.1
97.02884	3.7
99.02660	1.2
101.04250	26.5
112.07647	1.1
115.03857	1.2
119.04945	2.0
122.02679	1.1
127.02156	3.0
127.03932	1.3
127.05787	1.2
129.03703	1.6
129.10210	1.3
132.22908	1.1
135.04439	1.1
140.07063	4.1
140.38203	1.1
145.04985	1.4
147.04422	7.3
148.04750	1.5
152.00191	1.0
153.99426	1.1
155.01620	1.6
163.03926	5.0
170.06267	1.5
172.04291	68.5
177.05510	1.2
181.04970	2.9
182.08128	2.6
183.05348	1.3
197.07439	1.7
198.05878	4.0
213.72615	1.0
214.05379	8.5
215.08517	4.3
231.08588	1.3
244.06448	4.2
261.09036	7.3
303.09872	1.4
374.28217	1.0
377.13666	2.3
393.14111	4.7
423.14349	100.0
465.15262	1.8
501.15024	3.3
535.32544	1.3
555.18762	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	555.186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	1.0
57.03442	1.4
58.99586	1.4
59.18568	0.7
61.02911	1.5
67.05503	2.4
69.03434	3.6
69.07076	14.6
71.51316	0.8
73.02930	7.5
75.01461	2.6
76.02219	2.5
81.03429	1.1
84.96018	0.9
85.02916	5.6
86.42481	0.7
86.99063	1.9
91.05484	2.1
95.04967	2.4
96.04496	0.9
97.02891	1.7
97.06535	10.9
98.97591	0.7
103.03973	0.8
103.78795	0.7
109.02890	0.7
112.07633	6.3
119.04964	4.3
122.06089	1.2
125.06055	1.0
126.05588	0.9
127.03881	1.0
128.01697	1.3
134.46330	0.7
138.09152	1.0
138.41228	0.7
140.07071	16.9
141.28423	0.7
142.08641	3.6
145.05032	0.8
147.04427	13.3
148.04770	2.1
154.08652	5.3
162.07707	0.8
163.03915	2.2
166.08714	0.9
170.06419	4.2
182.08131	9.5
198.05855	1.7
201.05833	2.6
215.08519	10.6
216.06747	0.7
226.05409	1.7
244.06416	27.6
257.09506	4.6
261.09082	12.0
268.06302	1.1
286.07480	6.1
303.10172	2.2
339.10205	1.4
377.13965	2.1
423.14371	100.0
486.95404	0.7
501.15283	2.7
519.16980	0.9
537.16943	1.1
555.18506	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	555.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42101	0.4
57.03423	1.3
58.99587	1.0
61.02925	1.5
67.05505	1.4
69.03437	2.9
69.07072	25.5
69.80063	2.3
73.02922	8.0
74.00657	0.7
75.01452	1.7
76.02227	1.5
76.04591	0.4
81.03414	1.2
83.24686	0.4
84.09798	0.4
85.02905	5.6
86.00642	0.7
86.99055	1.3
88.03978	0.6
95.04977	3.5
95.38097	0.4
96.04505	0.9
97.02888	3.1
97.06535	4.5
98.20694	0.4
99.04494	0.4
103.03951	0.7
105.00104	0.8
109.02885	1.3
112.07619	3.4
115.03924	0.9
117.03354	0.4
125.06007	1.1
126.05510	0.7
127.03935	1.5
127.05754	0.5
129.75961	0.4
135.04385	0.6
136.07570	0.6
138.09161	1.2
140.05968	1.0
140.07065	16.1
142.03201	2.1
142.08638	4.4
143.05263	1.1
144.10742	0.4
153.02318	0.4
154.05164	0.4
154.08609	2.2
159.76532	0.4
163.03915	1.9
166.08656	0.9
170.06358	5.7
172.04301	0.9
182.08128	9.6
184.09801	0.6
192.18869	0.4
198.05888	2.5
201.05927	1.0
206.08092	1.3
215.08501	9.0
216.06894	0.8
226.05377	1.9
237.00790	0.4
240.07028	0.7
244.06393	27.0
257.09509	3.0
258.07983	0.8
261.09055	11.1
268.06445	0.8
279.13464	0.4
282.07895	0.6
286.07452	6.3
303.10110	1.7
328.59146	0.5
339.10248	0.7
342.10153	0.8
370.09528	0.5
377.13748	3.8
406.11996	0.5
423.14343	100.0
424.14807	0.5
465.15405	1.5
477.11731	0.5
489.15341	0.7
501.15225	2.7
519.16211	0.6
537.17285	1.2
555.18488	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	555.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01877	0.8
55.05500	0.3
56.05020	0.3
57.03429	0.5
60.04527	0.2
65.03944	5.5
67.05507	2.4
68.99782	0.2
69.03437	1.3
69.07070	0.7
69.38494	0.5
69.38923	0.4
70.06597	1.8
70.36655	0.1
71.01333	0.2
71.04995	1.4
72.08150	0.5
74.06071	0.2
79.05492	0.8
81.03417	0.9
81.07049	0.4
82.00552	0.4
82.04208	2.3
82.07410	0.1
83.04964	0.1
84.04523	0.4
84.08160	1.2
84.90041	0.1
85.02908	4.5
85.06524	0.3
86.06051	0.2
86.09727	1.0
87.05576	0.2
88.04012	0.1
91.05449	0.2
93.03424	1.4
93.07038	0.2
95.04979	1.0
95.08591	0.4
95.71236	0.1
96.08954	0.1
97.02880	0.5
97.06534	2.1
99.04461	4.7
101.02393	0.3
105.04527	0.2
105.07044	0.1
107.08565	0.2
108.02097	1.3
109.02885	0.7
109.10159	0.2
110.03671	2.8
110.07178	0.3
111.04453	1.0
112.08711	0.1
113.06020	1.3
113.06746	0.2
114.03125	0.2
119.04987	0.1
120.08121	0.8
121.02882	0.2
121.03944	0.2
121.10143	0.2
123.00803	0.5
123.04427	0.3
125.02331	0.2
125.05993	1.8
127.03908	0.4
129.10231	0.8
133.04987	0.1
136.07605	0.6
137.02324	0.3
137.05972	0.2
137.41316	0.1
138.03131	1.3
140.04671	1.3
141.01859	0.2
141.05475	2.3
142.02618	2.6
145.04965	0.2
153.05481	1.6
155.07004	0.5
156.04166	0.1
159.06522	0.8
170.02127	0.2
171.05183	0.2
171.06544	3.1
171.11522	0.1
177.16362	0.2
179.97176	0.2
181.04964	100.0
182.05336	0.4
199.06059	0.6
219.10054	0.1
251.20055	0.3
269.21249	0.2
297.09702	1.5
339.10822	0.8
357.11813	10.9
476.36234	0.1
537.15942	0.5
555.24194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38114	0.8
54.04182	0.7
55.05494	2.5
56.16034	0.7
57.07079	35.5
57.32118	0.7
59.04978	0.9
65.52871	0.6
68.52396	0.8
69.07072	4.8
69.48164	0.7
69.86343	4.0
71.08637	31.7
73.06561	6.6
83.03784	0.8
83.08604	4.1
85.10186	19.8
87.04474	4.6
89.06035	100.0
91.07590	1.3
95.96371	0.8
97.10188	5.3
98.21494	1.4
99.11714	2.5
105.07030	0.9
107.07062	1.5
109.10168	0.9
111.11715	3.2
113.13285	1.5
117.09138	3.7
119.08521	0.9
125.13232	2.3
127.14820	1.7
130.08646	3.7
131.07042	2.0
133.08609	51.4
141.16356	1.1
155.17944	0.9
177.11227	20.6
185.89238	0.8
195.12289	1.2
204.82922	0.8
211.24176	2.3
221.13799	4.4
239.14969	3.6
255.26764	1.9
269.77939	0.9
283.17407	2.2
299.29434	7.8
327.20142	14.2
343.32123	5.4
449.38409	1.7
493.40909	1.2
537.43610	21.9
554.46442	1.2
554.55017	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	554.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.7
60.04541	0.9
61.02928	1.4
61.32679	0.8
65.83427	0.7
67.05508	1.0
68.05020	0.9
69.03423	2.1
69.07059	2.8
69.74135	2.6
69.74542	1.6
70.06599	13.8
72.08144	3.3
81.03399	1.3
84.04497	2.7
84.08151	7.2
85.02917	5.9
85.08495	1.0
86.06057	2.4
86.09706	10.3
87.04449	2.4
91.05498	2.2
93.07018	1.1
97.02889	2.2
102.05534	1.1
103.05468	1.0
104.07105	3.0
106.43542	0.8
107.04967	1.5
109.02873	0.7
109.06475	1.2
110.07175	2.1
111.04486	0.9
115.07564	2.7
116.07066	0.7
119.04907	0.9
120.08102	3.5
121.06512	1.6
122.03601	1.6
125.05989	1.3
127.03920	1.1
129.10222	4.0
135.06676	0.7
136.07594	2.8
137.05983	26.4
143.04921	1.3
145.05023	1.3
147.04378	0.8
149.05957	2.0
153.05489	4.1
161.05989	13.7
163.07556	1.6
165.07033	1.4
175.07582	3.4
179.07066	1.7
179.08522	1.1
180.08743	1.0
181.04990	3.3
182.07295	0.8
188.04678	3.1
189.03633	0.8
191.07050	1.6
193.06502	4.3
203.07074	11.5
205.08612	2.1
207.08142	1.7
209.07994	0.9
210.06772	2.0
211.07545	0.9
217.03212	3.2
221.06021	11.8
224.08344	2.0
225.09106	11.8
233.08099	1.8
235.07549	2.4
237.09032	1.1
238.06282	2.6
239.10692	1.6
249.09230	1.6
251.07088	1.0
252.07811	1.4
253.05977	1.4
253.08630	27.7
253.21872	0.8
254.09389	0.9
260.31226	0.9
265.08618	1.0
266.09415	1.1
267.10202	9.6
269.08044	1.1
270.08908	3.6
271.15540	1.0
277.08609	4.9
281.08160	0.8
285.11224	73.4
294.08923	1.6
295.09637	7.2
297.11292	5.9
299.12766	1.5
306.07944	1.6
309.11304	9.1
327.12292	88.2
328.12936	0.8
339.12344	1.6
345.13342	100.0
357.13367	9.4
491.28604	0.9
502.86533	0.7
544.88513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05510	0.7
57.03448	0.3
63.50338	0.3
65.90957	0.3
67.05509	2.1
68.67589	0.3
69.03442	0.5
69.07092	0.6
69.35077	0.3
73.02901	0.3
77.00916	0.3
79.05499	0.9
81.03410	0.5
81.07061	1.7
83.01099	1.0
83.04972	0.4
83.08626	0.5
84.01881	0.4
85.02911	0.6
85.06525	0.3
91.03931	0.4
91.05489	1.0
93.07031	1.0
95.01094	0.6
95.04971	0.6
95.08604	0.9
96.01885	0.4
97.02893	0.4
97.06540	0.3
98.20728	0.6
105.07037	0.5
107.04955	0.4
107.08588	0.9
107.87446	0.3
109.06573	0.4
109.10152	0.9
111.04430	0.4
117.07018	0.4
119.08618	0.5
121.10156	0.3
125.09657	0.3
129.07039	0.5
131.08618	0.5
132.03764	0.3
133.10106	0.3
135.08177	0.4
135.11647	0.3
141.07030	0.3
147.08072	0.3
155.08667	0.3
156.04059	0.4
157.04695	0.4
157.10190	0.3
173.11795	0.3
184.03529	0.4
184.07390	0.5
185.04205	1.5
189.11290	0.3
201.03690	1.1
203.05281	1.5
229.14398	0.4
258.57971	0.3
259.08066	1.6
291.19730	0.4
319.16425	0.3
331.09885	2.1
335.20883	0.4
359.13315	0.6
366.99106	0.3
367.17972	0.4
373.14844	0.5
391.24350	0.6
401.17627	0.4
415.19156	1.3
455.22955	0.6
483.22067	2.0
535.28180	0.6
553.29834	100.0
554.30377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.25267	0.4
59.67123	0.4
63.95170	0.5
65.03944	5.9
67.05508	2.2
69.03424	1.1
70.06596	1.8
71.51592	0.7
71.51951	0.5
72.08142	0.9
79.05495	1.6
81.03437	0.6
82.04203	2.9
84.04500	0.7
84.08136	1.2
85.02912	4.6
86.09709	1.1
86.54234	0.4
89.03921	7.4
91.05501	0.9
93.03400	1.2
95.04971	1.2
97.02934	0.5
97.06541	1.5
107.04971	2.1
108.02103	1.2
110.03652	2.8
111.04414	0.8
117.03388	7.3
119.04927	0.9
121.02863	0.5
123.00766	0.8
125.06004	2.0
129.10252	1.0
135.04427	14.5
136.07538	0.5
138.03139	1.6
139.05057	0.5
141.01607	0.5
142.02618	2.6
142.11610	0.4
144.08084	1.0
145.02840	9.7
145.03879	0.8
146.28961	0.4
147.04414	3.8
148.04771	0.5
149.48389	0.5
153.05431	1.3
163.03908	65.7
164.04250	0.6
171.06525	3.1
171.07796	0.5
172.01482	0.4
181.04959	100.0
191.80981	0.4
255.81326	0.4
300.06296	3.1
327.06494	0.5
339.76425	0.4
355.06436	0.6
457.55344	0.4
553.11530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2987
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.01871	0.3
55.05499	1.0
57.03442	0.5
65.03941	0.3
67.05508	3.0
69.03417	0.4
69.07070	0.6
69.26999	2.0
71.04996	0.4
73.58389	0.2
79.05499	1.4
81.03423	0.8
81.07065	1.5
83.04995	0.5
83.08611	0.3
85.02898	0.3
91.05478	1.2
91.81836	0.2
93.07063	1.1
95.04967	0.3
95.08602	0.9
96.01865	0.4
97.06530	0.3
97.10163	0.4
104.10801	0.4
105.07009	0.7
107.04948	0.4
107.08587	1.0
109.02906	0.3
109.06564	0.5
109.10149	1.6
111.04372	0.3
119.08587	0.7
121.10126	0.3
125.09643	0.4
125.71579	0.2
129.07013	0.3
131.08569	0.4
133.10165	0.4
135.11728	0.5
137.09610	0.3
143.08556	0.3
147.11681	0.3
157.04790	0.5
159.11740	0.3
169.10037	0.4
173.11803	0.4
184.03491	0.5
184.07365	0.3
185.04228	2.8
191.27217	0.2
201.03696	1.3
229.14314	0.2
245.13615	0.3
259.07971	0.3
273.18494	0.3
275.07404	1.3
275.20337	0.2
299.18985	0.2
301.08853	0.5
317.19620	0.4
331.09995	3.2
335.20621	0.4
345.11548	0.6
352.78552	0.3
359.13062	0.5
373.14670	0.8
381.22437	0.3
387.16180	0.4
391.24484	0.8
401.17926	0.7
415.19540	0.9
441.21033	0.4
455.22552	0.5
483.21924	2.2
483.27884	0.3
535.28314	0.5
553.29791	100.0
554.30286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	4.2
53.25463	3.1
55.05508	12.9
57.07059	9.8
59.05005	6.2
65.03951	3.7
67.05517	21.7
69.07088	19.9
70.08421	5.7
70.08832	10.5
73.06559	4.7
79.05492	24.8
81.07069	54.5
81.50504	3.6
83.08604	8.5
85.06561	21.3
91.05483	43.6
93.07051	45.0
95.04962	8.3
95.08625	27.8
98.21399	4.2
105.06400	6.8
105.07043	82.3
107.08614	62.5
109.10168	21.4
111.08092	14.8
115.05463	6.6
117.07031	26.9
119.08597	100.0
121.10155	76.3
123.08087	6.0
123.11720	87.0
128.06229	13.2
129.07004	15.6
130.07805	7.2
131.08574	38.5
132.09390	5.9
133.10149	73.9
135.08055	4.7
135.11716	28.6
137.09630	10.9
141.06989	3.8
142.07776	13.8
142.08809	3.7
143.08589	48.0
144.09348	12.2
145.09070	5.2
145.10144	67.0
147.08160	5.5
147.11691	24.4
149.09627	6.1
149.13268	37.0
151.11201	6.0
152.11983	5.3
153.12709	3.9
154.07874	3.8
155.08536	16.8
156.09384	19.2
157.10136	57.6
158.10890	12.7
159.11707	44.5
160.12389	3.2
161.09648	4.9
161.13298	15.3
163.14851	4.0
167.08569	10.4
169.10150	24.0
170.10939	15.4
171.11743	38.0
172.12508	15.5
173.13274	18.9
174.14043	4.8
175.11198	20.9
175.14864	13.2
176.15633	9.1
179.08554	12.3
180.09229	4.6
181.10167	17.4
182.10918	12.5
183.11682	26.0
184.12605	8.4
185.13300	33.0
187.14795	18.3
189.16418	31.9
193.10168	13.1
194.10950	9.9
195.11746	19.3
196.12495	9.9
197.13260	32.3
199.14838	10.3
201.16284	4.3
203.14287	4.2
206.10927	6.0
207.11752	12.8
208.12425	6.8
209.13353	27.4
210.13974	9.9
211.14859	20.5
213.16374	5.0
215.17955	4.5
219.11627	5.0
221.13272	14.3
223.14859	15.5
225.16354	8.9
227.17996	10.3
229.19539	7.3
232.18222	10.1
235.14873	8.4
240.18733	5.3
247.14726	6.3
249.16443	11.2
251.18048	10.5
253.19597	5.1
255.21036	5.6
263.17892	8.5
266.20245	4.5
267.21185	3.5
275.17877	6.4
277.19443	4.4
279.20920	4.6
291.21158	3.4
293.22696	7.6
294.23398	4.8
298.23056	9.2
306.23553	9.7
307.24307	12.0
308.24951	8.7
338.25906	9.2
400.31345	10.1
404.31052	5.9
446.35535	14.7
460.37079	51.0
484.23776	4.4
512.05206	3.9
534.39703	3.7
552.43353	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88127	0.5
55.05499	1.5
56.05022	2.0
57.07034	0.5
58.06606	1.6
58.73451	0.5
60.08165	15.3
67.05501	2.3
69.03453	0.5
69.07066	0.8
71.07372	6.0
71.08636	0.6
71.53080	0.9
73.02898	0.5
77.38071	0.4
77.39034	0.4
79.05479	1.1
79.97753	0.5
81.07055	2.9
84.08112	0.7
85.02885	0.7
86.09708	51.8
91.05466	1.5
93.07039	1.0
95.08611	1.3
98.98480	2.9
99.08082	0.6
101.48521	0.5
104.10745	100.0
105.07022	1.7
106.84457	0.5
107.08582	0.9
109.10159	0.8
119.08556	0.6
121.10179	1.3
123.11689	0.9
125.00004	28.6
133.10100	1.0
135.08107	0.7
147.11757	0.7
160.41539	0.6
183.07388	0.6
184.07346	91.6
258.11099	1.0
400.82269	0.6
452.23993	0.8
534.31982	10.7
552.33020	49.2
562.83698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05026	0.4
58.06604	0.3
59.07377	0.2
60.08166	6.1
67.05500	0.4
67.57285	0.2
69.07037	0.2
70.14722	0.3
70.15109	0.3
71.07374	2.6
79.05502	0.4
79.38338	0.2
81.07053	0.5
85.02908	0.2
86.09709	30.6
87.10049	0.2
91.05462	0.1
92.49116	0.1
93.07047	0.4
95.08602	0.3
98.98468	2.5
104.10747	4.6
105.07064	0.2
107.08603	0.3
120.72902	0.2
125.00009	20.6
144.30568	0.2
150.27341	0.1
182.15486	0.2
184.07349	100.0
185.07692	0.4
186.07753	0.4
223.14865	0.3
235.69556	0.2
258.10983	0.4
301.11050	0.2
302.82037	0.2
322.01062	0.2
329.45193	0.2
534.32074	1.4
552.33014	9.0
552.39673	0.4
554.65515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05505	0.5
56.05037	1.2
57.03426	0.2
57.07079	0.5
58.06589	1.4
58.06842	0.2
58.15041	0.2
59.07369	0.3
60.08168	15.5
61.08494	0.2
67.05505	0.9
69.07063	0.6
70.06615	0.3
71.04984	0.4
71.06979	0.4
71.07376	5.6
71.25287	0.3
72.08162	0.3
76.41708	0.2
79.05486	0.8
81.07060	1.3
83.04957	0.3
83.08612	0.3
84.08143	0.4
84.65962	0.2
85.10191	0.7
86.09710	47.8
91.05486	0.9
93.07055	0.5
95.04967	0.3
95.08613	0.8
97.06551	0.2
98.98460	3.4
104.10750	86.0
105.07043	0.6
105.11073	0.8
107.08614	0.8
107.17870	0.2
109.10177	0.7
113.09668	0.4
117.07014	0.3
119.08631	0.4
125.00012	26.8
126.00346	0.3
139.96616	0.2
149.09605	0.3
155.01080	0.2
163.01514	0.4
165.12804	0.3
175.70520	0.2
184.07349	100.0
185.07654	0.7
186.07759	0.5
251.29367	0.2
258.11038	0.7
277.21600	0.4
295.23090	0.3
310.52881	0.2
327.65207	0.2
385.16418	0.2
452.24081	1.2
516.30530	0.4
534.31891	8.2
543.93079	0.2
546.27173	0.2
552.32977	43.6
553.33160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90178	0.5
55.05480	1.0
55.15916	0.5
56.05018	1.1
57.03404	0.6
58.06590	1.7
59.07379	0.6
60.08166	17.3
60.08460	0.6
67.05472	1.6
69.03394	0.6
69.07043	0.8
70.06573	0.5
70.38422	1.9
71.04968	0.6
71.07384	5.9
79.05470	1.3
81.03388	0.5
81.07063	2.4
84.08111	0.7
85.02863	0.8
85.10162	1.4
86.09708	49.8
91.05470	1.8
93.07018	1.1
95.08572	1.5
98.98463	4.5
104.10746	100.0
105.07040	0.9
107.04858	0.6
107.08595	1.1
109.10123	0.7
113.09645	0.5
117.07043	0.5
119.08604	0.9
121.10102	0.6
125.00009	29.0
131.08591	0.6
133.10127	0.7
159.86606	0.5
163.01547	0.6
165.12755	0.7
184.07349	98.5
258.11060	0.9
302.84653	0.5
353.12418	0.6
401.18741	0.6
489.26898	0.6
534.31976	9.8
552.33716	45.0
553.33508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2834
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.01867	0.2
55.05503	0.4
67.05502	0.8
69.07082	0.3
70.06593	0.3
71.05000	0.4
71.53018	0.3
73.72134	0.2
79.05494	0.8
81.07064	0.8
83.04979	0.3
86.09697	0.7
91.05489	0.7
93.07033	0.6
95.04960	0.4
95.08617	0.4
97.06535	0.2
104.10780	0.4
105.07054	0.6
107.04923	0.3
107.08582	0.6
109.10168	0.6
119.08582	0.4
121.10130	0.4
123.08086	0.2
125.00004	0.4
125.06065	0.3
125.09711	0.3
130.09084	0.2
149.09662	0.3
184.07365	2.2
185.04138	0.4
185.07707	0.6
236.84500	0.2
259.07938	0.5
275.20187	0.4
331.10297	0.3
388.62119	0.2
389.23001	2.3
498.29077	0.3
533.34650	0.3
551.28308	100.0
552.28772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79030	0.6
55.01874	1.6
55.05511	1.3
56.05040	2.0
57.03440	2.2
59.03749	0.9
61.41162	0.7
65.03944	0.8
67.05515	1.0
69.03425	2.3
69.07083	1.4
70.06596	12.5
71.52231	1.0
72.08166	7.0
73.02910	1.2
74.06074	1.2
75.82393	0.7
77.07060	0.7
81.03390	1.0
81.07060	1.1
84.04532	3.9
84.08150	13.8
85.02912	6.5
85.08456	0.9
86.06064	2.3
86.09709	9.0
91.05503	3.4
93.07082	1.5
95.04939	1.1
97.02897	2.4
99.04431	0.9
102.05536	1.1
103.05484	1.2
105.07047	0.9
106.02905	0.7
107.08620	1.4
110.07187	2.0
112.08742	1.3
113.90649	0.8
115.05473	1.6
115.08723	1.0
119.04952	2.9
119.08611	2.2
120.08125	7.7
121.06464	1.0
121.08442	0.8
122.03652	0.9
127.03952	1.5
129.10249	6.1
133.10155	0.9
135.04391	0.9
136.07599	4.1
137.05986	14.5
137.07872	1.0
143.04938	1.9
145.04996	0.9
147.04404	5.0
149.05939	1.1
151.03912	1.1
159.04353	1.7
160.05229	1.7
161.06082	0.9
163.07477	0.8
171.13254	0.9
173.06021	2.5
174.06744	0.9
175.03922	1.6
175.07561	3.1
175.14845	1.8
177.05513	0.9
177.07051	1.6
186.03122	2.4
187.03978	1.3
191.06955	0.9
194.07314	1.6
201.05444	10.3
203.07068	1.5
205.06508	9.8
219.08118	1.2
221.05978	2.1
221.13206	0.9
222.06726	4.9
227.06984	1.0
233.06032	9.3
234.06776	3.0
237.09117	10.8
239.07132	1.2
247.07571	1.3
248.08461	0.9
249.05615	1.5
249.08990	0.8
250.06235	9.5
251.07143	1.7
251.16403	1.0
261.05481	1.6
263.06989	0.9
264.07843	3.8
265.08633	22.9
265.11478	1.2
265.58777	0.9
266.09525	1.0
267.06509	2.3
269.17456	0.8
276.07901	0.8
277.05099	0.8
277.08444	1.1
278.05658	4.9
279.09903	1.2
282.08884	2.0
283.09729	1.1
292.07315	8.1
293.08072	19.8
294.08969	1.6
295.06152	1.7
297.11172	9.9
307.09653	24.3
310.08188	4.3
325.10733	100.0
327.43042	1.0
337.10391	1.2
343.11798	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
58.06587	0.8
60.08167	9.4
61.22240	0.4
67.05511	2.3
69.07038	0.4
70.06598	0.4
71.07378	4.1
71.10041	0.7
79.05480	1.3
79.50468	0.4
81.07039	1.7
83.08623	0.4
86.09711	38.7
91.05466	0.9
93.07043	1.3
95.04971	0.8
95.08587	1.2
97.83072	0.3
98.98466	2.6
104.10751	39.4
105.07040	0.8
107.08601	0.8
109.10181	0.4
116.73699	0.4
119.08511	0.5
125.00017	23.0
135.11649	0.4
184.07353	100.0
258.11053	0.9
500.31210	3.6
518.32452	29.5
532.33496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01866	0.8
55.05499	1.2
56.04998	0.4
57.50533	0.3
65.03936	2.4
67.05509	1.9
69.03440	2.9
69.07071	0.9
69.73489	0.3
69.84273	0.4
70.06596	3.2
71.04961	0.7
71.52486	0.4
71.52849	0.4
72.08157	0.9
73.02909	0.3
75.55704	0.3
79.05493	2.2
81.03429	3.2
81.07060	2.7
82.04204	0.6
83.04968	0.9
84.04498	0.7
84.08155	2.4
85.02907	3.4
86.09702	2.3
86.48045	0.3
86.93677	0.3
91.05483	2.6
93.03403	0.7
93.07036	1.3
95.01224	0.3
95.04955	1.6
95.08614	0.9
96.55854	0.3
97.02872	1.3
97.06527	1.0
99.04464	0.6
101.02356	0.4
105.07038	2.7
106.97505	0.4
107.04950	0.9
107.08593	6.3
108.02126	0.6
109.02868	1.1
109.06504	1.1
109.10144	2.1
110.03662	1.6
110.07223	0.4
111.04362	0.6
115.05408	0.5
117.07021	0.5
119.08582	1.4
120.08093	1.4
121.06484	0.7
121.10130	3.2
122.07301	1.8
123.04424	0.9
123.08067	0.7
125.05972	1.2
127.03902	0.9
129.10237	1.2
131.08601	0.6
133.10132	29.3
135.08055	2.9
135.11798	0.4
136.07564	0.5
137.05948	0.5
137.09616	15.5
138.03133	0.9
140.04698	5.2
142.02596	1.4
145.10130	0.7
147.11626	0.4
149.09550	0.6
149.13283	2.4
153.05449	0.9
155.07077	2.9
158.10875	0.6
159.28896	0.3
163.14780	0.5
171.06566	1.8
171.07996	0.4
173.13242	1.6
181.04955	100.0
182.05342	0.6
184.07350	0.4
191.14302	12.6
199.06033	6.9
209.15356	0.6
241.94138	0.4
251.48488	0.4
325.09149	3.1
343.10309	6.4
550.66547	0.4
551.22198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	0.7
58.06356	0.2
58.06617	0.4
59.07388	0.2
60.08168	6.9
67.05499	0.3
67.84093	0.2
68.28231	0.1
69.07059	0.3
70.06596	0.7
70.24333	0.3
70.24722	0.3
71.07377	3.0
72.08166	0.4
79.05466	0.2
81.07060	0.2
83.08593	0.1
84.08142	0.5
86.09710	31.9
91.05476	0.2
93.07032	0.2
95.04943	0.2
95.08595	0.1
98.98462	2.7
101.88947	0.1
104.10747	4.2
104.90057	0.1
107.08612	0.3
120.08130	0.2
125.00011	21.3
125.05963	0.1
129.10185	0.2
143.01010	0.2
168.33737	0.1
184.07347	100.0
185.07712	0.2
238.56441	0.1
258.11060	0.3
338.80121	0.2
356.29453	0.2
526.55371	0.2
532.30432	1.3
550.31396	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	550.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.05034	1.4
57.03427	0.3
58.06602	1.1
59.07366	0.3
60.08163	17.5
67.05500	1.3
69.07053	0.6
70.06586	0.6
70.25279	0.6
70.25650	0.9
71.04994	0.3
71.07372	7.6
79.05489	1.2
81.03421	0.4
81.07053	1.0
83.04969	0.7
83.08620	0.7
84.08127	0.4
86.09706	50.1
91.05483	0.5
93.07041	1.1
95.04949	0.7
95.08614	0.4
97.06526	0.4
98.98469	3.5
99.04449	0.6
104.10743	100.0
105.07033	1.1
105.11093	0.4
107.04993	0.4
107.08605	0.8
109.10210	0.4
111.04416	0.7
111.08133	0.2
117.07021	0.3
119.08595	0.6
121.06520	0.3
121.10121	0.7
125.00002	29.9
127.07568	0.2
131.08588	0.7
133.10141	0.5
145.10136	0.4
149.35214	0.3
163.01503	0.7
163.11168	0.6
166.06342	0.3
184.07338	89.0
247.20592	0.3
258.11050	0.7
275.20135	0.4
305.05981	0.3
532.30371	8.1
550.31427	49.8
551.31897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07386	0.2
55.05503	0.6
56.05036	0.8
58.06609	0.8
59.54349	0.2
60.08170	10.1
66.31345	0.2
66.45376	0.2
67.05502	1.1
69.03460	0.2
69.07069	0.9
69.22356	1.0
69.22774	1.2
70.06596	1.3
71.07378	4.5
72.08154	0.8
79.05493	0.8
81.07053	1.9
83.05004	0.4
83.08644	0.4
84.08141	0.9
85.86427	0.3
86.09712	40.5
91.05497	0.7
93.07053	1.0
95.08633	0.9
98.98469	3.2
104.10752	47.7
105.07054	0.6
107.08562	0.4
109.06570	0.5
109.10178	0.3
110.07207	0.3
119.08563	0.5
120.08152	0.5
121.06545	0.3
121.10149	0.4
123.07989	0.3
125.00014	24.8
147.11728	0.4
149.09615	0.4
184.07352	100.0
184.51059	0.2
257.60794	0.3
258.11145	0.7
427.35800	0.2
439.06357	0.3
532.30316	4.6
550.31433	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	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05031	1.2
58.06602	1.1
60.08167	16.7
67.05508	1.1
69.07061	0.6
70.06588	0.6
70.20750	0.3
70.64948	0.7
71.07375	7.3
72.08160	0.4
74.09697	0.3
75.53660	0.2
79.05509	1.4
81.07062	1.3
83.08621	1.0
84.08157	0.3
86.09708	52.5
91.05494	0.8
93.07057	1.5
95.04959	0.8
95.08617	0.8
98.98450	3.3
104.10746	100.0
105.07005	0.7
107.04977	0.4
107.08604	0.7
109.10146	0.7
119.08562	0.5
121.10094	0.3
123.08070	0.4
125.00007	27.5
143.01114	0.3
145.10133	0.5
149.09669	0.5
163.11157	0.8
181.02510	0.3
184.07344	86.7
258.11096	1.2
355.00952	0.3
527.86414	0.3
532.30310	8.4
547.70258	0.3
550.31427	48.2
551.31982	0.4
554.08856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.6
56.05034	5.4
59.04995	3.9
60.04546	2.7
61.02922	2.8
67.05507	11.6
69.03426	8.2
69.07076	3.8
70.06594	30.5
71.05016	3.3
71.51919	2.7
72.08146	7.1
74.06069	4.8
78.27589	1.8
81.03429	3.9
81.07052	5.8
84.04509	9.2
84.08145	29.8
85.02914	29.8
85.06527	4.9
86.09719	12.7
90.10049	2.0
91.05483	8.8
93.07033	10.0
95.05000	5.4
95.08612	31.9
97.02893	7.4
101.06002	2.8
105.07030	6.9
105.65184	2.1
107.08604	24.5
109.02834	2.5
109.06525	14.8
109.10142	11.5
110.07175	3.9
113.06013	8.1
119.04982	3.9
119.08591	14.5
120.08126	5.4
121.06486	2.4
121.10160	5.6
123.08085	18.5
127.03909	8.5
129.10265	14.0
131.08530	2.3
133.10188	4.7
135.08081	5.4
135.11678	10.2
137.09625	100.0
145.04965	7.5
147.04396	3.8
147.11693	7.5
149.09621	19.4
151.07561	7.8
161.13216	11.4
163.03929	2.8
163.06067	4.1
163.11171	5.7
165.12746	3.8
171.11653	2.0
173.21429	2.1
179.14275	4.6
181.04945	2.4
185.45329	1.8
189.12778	16.0
197.75056	2.0
207.13808	70.3
211.18279	2.2
225.14754	10.8
235.78401	2.2
334.10501	2.0
348.07590	2.5
426.46445	2.3
549.12256	3.1
549.26123	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	548.3711
Annotation	LysoPC(20:2)
Peak:m/z	Relative Intensity
55.01890	0.4
55.05514	2.1
56.05032	1.5
57.03426	0.7
58.06605	1.4
60.08166	17.8
67.05504	4.0
69.07067	1.6
69.50493	2.5
71.07379	7.2
79.05489	1.8
81.07056	3.8
82.07388	0.4
83.04970	0.5
83.08608	1.0
86.09708	55.9
88.31802	0.4
91.05493	1.0
92.05811	0.4
93.07035	1.6
95.08611	3.4
98.98470	4.1
104.10747	99.4
105.07027	1.0
107.08579	0.7
109.10182	0.8
117.12623	0.4
119.08588	0.5
121.10162	1.1
121.38141	0.4
121.56076	0.3
125.00009	29.1
131.08600	0.5
133.10136	0.6
135.11749	0.4
148.20253	0.4
163.01553	0.9
184.07347	100.0
258.11041	1.1
352.75589	0.3
360.23129	0.4
365.30328	0.7
462.14911	0.4
515.98560	0.5
530.36035	10.1
548.37256	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12063	2.9
55.05519	15.0
57.03433	3.1
57.07066	3.2
67.05499	28.7
69.07054	10.3
69.24777	6.5
69.25182	22.2
71.04985	3.8
77.06609	3.0
79.05053	4.3
79.05495	37.6
81.07062	30.3
83.08620	5.7
85.02885	4.2
91.05484	37.2
93.07046	50.1
95.04916	3.2
95.08618	22.5
97.06574	4.8
97.10175	3.6
103.75744	3.5
105.07040	48.2
107.08602	26.0
109.10156	14.0
117.07021	9.7
119.08589	30.8
121.10162	24.7
129.07022	6.9
131.08580	18.2
133.10121	26.7
135.08118	4.4
135.11720	20.0
143.08566	9.2
145.10117	12.5
147.11714	23.1
149.09644	4.2
149.13231	10.4
152.60384	3.2
157.10078	8.5
159.11658	14.4
161.13261	19.5
163.11156	5.7
171.11696	6.6
173.13271	3.2
175.14761	8.4
184.07376	5.5
185.13301	5.4
199.14816	6.4
213.16281	3.6
231.21146	7.9
240.86415	3.5
241.19482	23.4
259.20578	64.0
351.25284	100.0
367.22253	3.1
513.76117	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.2
57.03414	8.5
57.07074	7.6
64.31697	4.9
67.05515	41.8
69.07038	11.3
70.06586	6.3
70.30112	22.0
72.08146	7.0
79.05486	46.5
81.03395	8.5
81.07056	34.4
83.04938	6.8
83.08628	10.8
85.02885	9.4
86.09724	7.7
91.03928	6.4
91.05486	45.0
93.07041	52.6
95.08591	25.0
98.21374	7.4
105.07040	47.7
107.08593	39.7
109.10133	9.4
117.06998	15.3
119.08618	30.4
121.10169	31.7
129.06967	6.5
131.08549	22.5
133.10106	39.1
135.11691	28.7
143.08592	6.7
145.10097	19.3
147.11652	33.9
149.09628	5.9
149.13229	14.7
153.43861	5.8
157.10175	8.2
159.11662	14.8
161.13208	20.3
171.11678	10.3
173.13234	8.1
175.14767	11.8
184.07330	12.2
199.14857	8.1
213.16318	6.1
218.00876	5.5
241.19456	23.1
259.14368	6.2
259.20566	50.1
289.84085	6.3
351.25284	100.0
396.99911	5.7
495.29578	10.1
530.35376	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	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01871	3.6
55.05514	24.7
57.03439	5.1
57.07086	4.0
65.03941	6.3
67.02298	1.9
67.05510	64.4
69.03429	2.4
69.07066	13.1
69.91528	1.8
71.04984	5.2
71.08630	2.6
71.53741	2.3
75.08292	2.0
79.05501	36.4
81.03421	31.0
81.07061	64.0
82.59309	1.8
83.04977	6.5
83.08616	18.6
85.02914	16.8
85.06576	2.1
86.66068	1.8
91.05486	32.9
93.07051	36.5
95.04987	12.7
95.08615	43.8
97.02934	1.8
97.06534	3.9
97.10181	7.7
99.08114	2.0
100.04972	1.9
105.07041	25.7
107.04977	4.0
107.08582	19.4
109.06523	4.2
109.10170	16.5
111.08100	6.4
117.07018	7.0
119.08589	20.7
121.10134	15.6
123.08137	2.2
123.11711	7.1
125.09711	2.7
129.07016	8.2
131.08563	14.8
133.10152	14.1
135.11679	10.5
137.09741	3.2
137.13274	3.8
142.07813	2.5
143.08585	3.0
144.07133	2.1
145.10164	6.6
147.08044	3.3
147.11670	12.3
149.13318	5.3
157.10141	8.7
159.11708	3.8
161.13283	3.9
162.06491	2.0
163.11240	2.2
169.10202	2.6
173.13223	2.3
175.11200	8.8
175.14804	2.8
177.12735	2.1
181.12262	8.8
193.12257	25.6
202.11095	2.4
207.11606	1.8
211.11278	3.2
211.13290	28.4
227.12834	2.8
233.33154	2.1
263.23724	4.1
267.15894	7.0
269.17844	2.2
337.27307	6.1
353.64166	2.1
379.90741	2.3
437.33829	4.5
455.35434	3.7
473.36224	3.5
529.38812	26.5
547.40540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3995
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03936	4.3
55.01875	3.6
55.05510	22.4
57.03442	10.3
57.07088	4.1
58.60897	1.4
61.90793	1.5
65.03947	3.6
67.05509	70.3
69.03451	1.8
69.07068	23.8
69.69090	7.2
69.69498	3.5
71.04998	4.0
73.69239	1.5
79.05071	2.9
79.05499	39.8
81.03410	3.0
81.07060	82.7
83.04997	2.5
83.08618	14.6
85.06539	3.1
89.06008	2.1
91.05481	34.3
93.06485	3.4
93.07050	51.5
95.04970	4.8
95.08609	52.2
97.06514	9.3
97.10162	5.4
99.08096	2.3
102.74848	1.6
104.54082	1.7
105.04520	2.0
105.06320	2.1
105.07036	37.9
107.05010	1.9
107.08600	34.0
109.06532	4.5
109.10161	25.1
111.08110	5.0
115.05479	1.7
117.07034	12.5
119.08589	26.2
121.06541	2.7
121.10145	22.5
123.08072	2.5
123.11713	9.7
125.09627	2.9
129.07011	6.4
131.08574	20.2
133.10144	20.9
135.08072	2.3
135.11684	17.6
137.09618	3.5
137.13232	4.0
139.11250	2.0
143.08580	7.0
145.10132	20.2
147.11700	15.4
149.09583	2.4
149.13269	18.1
155.08530	2.8
157.10144	8.4
159.11725	14.9
161.13277	8.1
163.11168	2.3
163.14827	2.7
165.12849	1.9
167.08656	2.7
169.10159	4.3
171.11629	8.3
173.12025	1.9
173.13251	10.6
174.49249	1.5
175.11136	2.3
175.14857	2.8
177.12714	4.6
183.11671	4.4
185.13281	5.3
187.14845	5.1
195.11798	2.4
195.13805	5.5
197.13356	2.9
199.14838	5.4
201.16365	1.8
223.14862	1.8
229.14453	2.3
243.21153	2.5
261.22141	11.9
265.21823	1.8
265.62802	1.7
267.16046	4.0
269.17456	21.2
275.20148	3.0
287.23703	1.8
289.21780	2.0
301.25281	3.1
317.24939	3.5
333.24423	2.2
335.25806	17.1
336.25681	1.6
375.28882	2.4
403.28448	1.8
419.47568	1.6
437.34268	11.3
455.35239	15.8
473.36264	10.7
475.34305	3.0
503.37418	2.2
511.37708	6.8
529.38916	100.0
547.40332	45.9
548.41083	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	547.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01870	3.5
55.05517	22.1
57.03436	6.2
57.07069	5.0
65.03933	3.5
67.05511	85.9
69.03435	2.2
69.07073	25.0
69.90692	1.8
71.04994	5.7
71.52914	2.3
73.74351	2.2
79.05498	44.1
81.03416	4.4
81.07064	87.9
83.04989	6.1
83.08633	17.4
85.06552	5.1
89.06048	3.5
91.05491	42.0
93.07050	66.9
95.05000	10.0
95.08617	54.8
97.06553	10.8
97.10175	6.9
99.08070	4.4
105.07041	36.2
107.04953	2.9
107.08611	38.3
109.06514	3.5
109.10167	32.4
111.08076	6.1
111.11692	1.9
113.09574	1.9
116.06286	2.4
117.07014	17.3
119.08586	34.8
121.06501	3.0
121.10158	29.3
123.08003	3.3
123.11709	11.8
125.09637	6.0
127.07653	2.1
129.07016	5.8
131.08566	28.8
133.08574	3.3
133.10153	27.1
135.11696	20.4
137.09610	3.1
139.11218	3.3
141.07065	2.7
143.08580	7.5
145.10146	23.1
147.08134	2.8
147.11711	19.8
149.09625	5.8
149.13264	20.5
155.08578	3.5
157.10132	8.1
159.11708	19.3
161.13272	9.3
163.14859	3.1
165.12662	2.8
169.10173	3.8
171.11693	9.9
171.38890	2.0
173.13300	11.3
175.14774	5.3
177.77290	2.0
183.11719	3.2
185.13232	8.2
187.14819	6.8
195.13803	6.3
197.13374	3.0
199.14868	4.6
201.16443	4.3
209.13356	2.5
211.14975	2.3
213.11147	2.8
213.16512	2.7
215.17860	2.1
227.12904	3.5
229.14330	2.7
243.21169	4.2
261.22177	15.4
267.16220	3.0
267.20996	2.8
269.17511	15.4
275.20050	3.7
289.21548	2.6
299.23795	2.5
301.25070	3.3
317.24704	3.1
335.25864	24.9
409.34329	3.2
419.33179	2.4
437.34122	12.4
455.35315	13.0
473.36615	11.8
503.37219	4.3
511.37939	3.2
529.38977	100.0
547.40100	54.0
551.76007	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
53.03947	5.0
55.01874	8.7
55.05516	38.8
57.03443	11.4
57.07080	1.1
59.04996	1.1
63.32767	1.0
65.03948	5.3
67.05511	63.7
69.03424	2.9
69.07075	29.3
69.82790	5.6
71.01362	2.7
71.05003	8.1
79.05497	62.8
81.03430	9.3
81.07062	41.6
83.04982	19.7
83.08626	21.9
85.02907	3.3
85.06555	3.5
91.05488	39.4
93.07051	62.1
95.04977	46.1
95.08611	22.8
97.06544	13.7
97.10168	16.7
98.21556	1.6
99.04485	6.1
99.08087	2.6
103.05482	1.1
103.69360	1.0
105.04505	2.2
105.07035	23.1
105.07697	1.8
107.04981	10.4
107.08604	48.1
109.06524	8.1
109.10162	16.0
111.04445	13.5
111.08109	7.3
117.07029	12.1
119.06087	1.1
119.08588	18.5
121.06509	7.0
121.10150	19.3
123.08081	4.5
123.11701	1.7
125.09635	10.3
129.07027	3.0
130.07796	2.6
131.08569	13.3
133.06529	1.7
133.10135	14.6
135.08078	4.8
135.11699	42.9
137.09624	3.4
139.11179	2.0
143.08566	4.1
145.06516	1.3
145.10141	18.1
147.08009	5.3
147.11696	8.5
149.09618	21.6
149.13316	1.5
151.11174	2.5
153.09113	2.1
153.12801	2.7
155.08574	2.0
157.10130	2.6
159.11700	8.9
161.09686	2.5
161.13315	2.2
163.11188	23.9
165.12755	3.3
167.10698	1.6
169.10100	2.4
171.10310	1.3
171.11687	2.7
173.09621	1.2
173.11830	2.1
173.13275	4.1
175.11349	1.1
177.12802	3.6
179.10657	1.2
181.12280	8.1
183.11761	2.8
185.13225	1.6
187.11205	3.3
189.11220	11.5
189.12735	1.7
193.12263	1.5
197.13356	1.2
205.12207	6.2
207.13957	1.8
223.13307	44.9
227.12743	3.1
229.19540	2.7
237.14819	2.3
239.18031	2.7
247.20856	1.5
255.15930	18.7
255.18552	1.7
257.19083	6.4
259.26654	1.1
275.20081	63.6
279.15848	1.5
283.20578	1.0
289.18115	1.7
293.21140	33.2
311.22516	1.5
331.22787	1.8
332.22424	1.2
347.22379	1.2
349.23727	15.7
367.24771	2.6
419.28436	2.0
437.30441	1.9
455.31595	1.2
503.33707	1.3
504.98956	1.1
511.33853	1.3
529.35370	18.9
547.36383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
55.01874	11.3
55.05276	3.2
55.05516	48.5
55.27752	2.1
57.03444	14.4
57.07070	2.3
61.02909	3.5
65.03918	3.5
66.34670	2.0
67.05508	100.0
69.03412	6.1
69.07068	31.2
69.26304	20.4
71.01353	2.4
71.04995	10.3
72.58979	2.0
73.02924	3.1
78.93079	2.0
79.05500	75.6
81.03410	8.9
81.07060	78.5
83.04980	21.2
83.08167	2.1
83.08624	30.6
85.02906	7.0
85.06532	5.3
91.05489	78.8
93.07049	84.8
93.07642	4.6
95.04981	23.0
95.08607	44.2
97.02884	3.9
97.06536	17.0
97.10168	12.4
99.08096	4.6
105.07039	62.6
107.04965	16.0
107.08599	63.3
109.02885	2.6
109.06509	9.4
109.09476	3.6
109.10160	46.4
111.04420	3.2
111.08064	8.7
117.05353	2.1
117.07022	18.9
119.08581	42.8
119.09386	4.6
121.06493	6.0
121.10149	24.2
123.08071	8.3
123.11684	6.9
125.09599	10.1
128.06190	2.3
129.06973	6.6
130.07767	2.4
131.08586	19.9
133.10133	59.3
135.08040	5.9
135.11694	45.9
137.09618	8.9
139.63478	2.1
143.08539	6.7
145.10146	28.1
147.08102	2.5
147.11693	20.0
149.09648	19.0
149.13237	8.0
151.11186	24.0
155.08519	3.7
157.10141	11.8
157.87463	2.2
159.11700	16.1
161.09686	5.1
161.13264	14.2
163.11198	29.1
165.09129	3.1
165.12767	6.4
169.10074	4.4
169.12209	4.6
171.11679	7.9
173.09604	3.4
173.13229	8.7
175.11221	3.6
175.14784	6.9
177.12787	4.6
181.12201	11.2
183.11795	3.3
185.13274	5.0
187.14816	3.3
195.11673	2.3
197.13232	5.6
215.14362	2.6
223.13266	4.8
229.19501	6.1
239.17967	8.0
241.19521	10.8
247.20531	3.7
253.14371	28.2
255.15903	48.9
257.19016	13.9
259.20605	18.2
271.15469	19.4
275.20068	73.7
293.21103	12.9
333.24146	15.2
349.23703	29.9
365.23038	2.4
367.14703	3.1
367.24756	4.1
431.01035	2.4
455.31146	4.2
511.34503	4.4
529.35266	45.6
547.29291	3.6
547.36469	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71198	1.7
53.03947	2.9
55.01868	6.2
55.05510	28.3
57.03430	5.6
58.47560	1.8
61.02937	2.2
62.67065	2.0
67.05513	34.3
69.03416	2.5
69.07069	17.8
69.49907	14.4
71.04995	4.3
72.17841	2.0
79.05500	29.2
81.03418	5.0
81.07056	43.0
83.04972	7.8
83.08617	24.3
85.02895	4.2
85.06525	2.3
91.05486	37.3
93.07056	35.3
95.04977	20.6
95.08605	27.0
97.02872	4.0
97.06535	7.6
97.10190	4.7
98.21522	3.6
103.80574	2.0
105.07030	37.2
107.04945	10.3
107.08606	28.8
109.06521	7.6
109.10168	12.9
111.04461	2.7
111.08078	7.7
113.06073	2.1
117.07031	11.7
119.07834	2.2
119.08604	31.0
121.06491	6.6
121.10142	15.6
123.04448	3.9
123.08051	5.6
123.11728	5.4
125.09621	6.5
125.31328	1.7
129.07010	6.0
131.08569	19.3
133.10136	27.7
135.08051	7.2
135.11670	8.5
137.09645	7.2
141.06938	2.1
141.92494	1.8
143.08559	6.7
145.10143	26.1
147.08101	4.2
147.11679	11.1
149.09637	23.1
151.11197	6.5
155.08574	3.3
157.10167	3.3
159.11694	13.8
161.09566	4.3
161.13319	6.1
163.11188	24.2
165.12749	4.5
169.10132	5.3
171.11707	5.6
173.09595	4.5
173.13277	7.8
175.11142	4.4
177.12746	2.2
183.11765	3.3
187.11227	2.5
189.11235	4.2
191.10565	2.3
197.13374	3.7
201.12833	2.4
201.85907	2.0
223.13248	4.6
229.19580	4.9
239.17921	7.0
242.58914	2.0
253.82344	2.5
257.18970	13.8
275.20078	100.0
276.20105	4.4
293.21118	14.5
333.59528	2.1
349.23730	60.0
350.24014	2.9
353.57703	2.2
367.24802	97.2
481.93729	2.0
547.28589	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	547.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04104	0.8
53.03931	2.6
55.01863	3.7
55.05281	1.4
55.05518	20.4
57.03440	6.6
61.02910	2.5
65.03912	2.3
67.05190	1.4
67.05511	19.6
69.03423	3.4
69.03761	0.9
69.06740	1.0
69.07078	10.6
69.22103	7.7
71.04980	2.7
79.05075	1.4
79.05502	19.3
81.03410	3.0
81.06590	1.4
81.07060	20.1
83.04986	8.9
83.08625	15.8
84.08141	0.9
85.02914	5.9
86.09700	1.5
91.03938	1.3
91.04985	1.2
91.05494	17.6
92.55522	0.8
93.06480	1.5
93.07047	20.8
95.04974	42.1
95.08614	14.0
97.02884	2.1
97.06522	3.5
97.10177	6.1
99.04467	4.4
101.02319	0.9
104.10749	1.7
105.07035	14.5
107.04963	6.2
107.08610	19.9
109.06514	4.8
109.07623	0.8
109.10147	8.3
111.04453	10.8
111.08090	4.2
116.42863	0.9
117.07024	7.3
119.08596	14.9
121.06500	3.9
121.10164	11.9
123.08066	3.9
123.11687	1.0
125.05997	1.0
125.09647	8.1
127.03918	1.5
128.06253	0.8
129.07004	2.0
131.08577	9.7
133.10156	10.5
135.08047	3.1
135.11703	5.8
139.11148	1.5
143.08517	2.0
145.06483	1.2
145.10147	14.9
147.08018	3.2
147.11697	5.0
149.09636	15.3
149.13274	1.3
151.11212	0.8
153.09094	1.4
153.12779	1.4
155.08549	2.1
157.10133	2.5
159.11697	7.1
161.09604	1.3
161.13235	1.9
163.11188	15.8
165.12688	0.9
166.76973	0.8
169.10085	1.8
171.11658	1.3
173.09682	1.5
173.11649	0.9
173.13203	2.1
175.11118	1.0
175.14864	1.0
177.12775	2.2
181.12267	1.4
183.11691	1.3
184.07341	1.9
187.11104	1.8
189.11272	7.0
191.10593	1.3
193.12206	1.3
201.07474	0.9
201.12738	1.1
205.12207	4.6
219.13490	1.1
223.13309	29.8
229.19482	1.3
231.17372	0.9
239.17920	2.9
247.20558	1.4
257.19049	6.5
275.20096	36.1
293.17841	1.3
293.21143	24.1
347.47821	0.9
349.23819	8.7
356.26981	0.8
367.24817	100.0
385.21378	1.9
529.29358	1.6
547.27728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55141	1.8
53.03941	2.3
55.01870	5.7
55.05513	34.2
55.63351	2.3
57.03431	3.9
61.02922	2.5
67.05505	34.8
69.03435	3.3
69.07076	16.1
69.37256	7.7
69.37694	8.8
71.04988	2.8
76.89308	2.0
79.05501	32.9
81.03414	5.4
81.07069	30.1
83.04980	9.8
83.08625	27.3
85.02913	6.1
91.05491	24.2
93.07050	29.3
95.04979	77.0
95.08613	19.4
97.06515	7.9
97.10188	13.6
98.21541	3.9
99.04453	3.0
105.07035	22.8
107.04951	10.2
107.08599	27.9
109.06538	5.7
109.10178	12.9
111.04456	9.9
111.08104	6.5
117.07027	9.3
119.08581	19.9
121.06533	7.2
121.10136	12.6
123.08067	6.5
125.09642	16.6
127.32291	2.0
129.06996	3.9
131.08565	18.3
133.10133	12.9
135.08086	8.1
135.11732	11.5
143.08537	4.3
145.06483	3.4
145.10083	21.1
147.08099	4.9
147.11716	7.6
149.09628	28.8
153.09163	3.2
153.12756	2.1
157.10153	4.8
159.11714	6.0
161.13208	2.9
163.11186	26.4
169.10135	2.9
171.10271	3.8
171.82248	2.2
173.13316	4.4
177.12695	4.3
181.12303	3.1
183.11697	2.2
187.11183	4.8
189.11235	15.2
197.13319	3.9
205.12254	6.9
223.13316	60.8
227.12889	2.8
229.19522	2.5
239.17938	5.4
257.19031	8.7
275.20081	79.0
293.21143	59.5
297.16980	3.9
311.22269	2.4
337.45987	2.0
349.23752	19.1
367.24820	100.0
385.25839	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	547.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01865	12.1
55.05516	39.5
57.03426	8.6
61.02918	4.0
67.05516	41.7
69.03421	9.4
69.07068	19.2
70.06592	13.3
71.04989	4.9
72.08128	4.7
73.02898	4.1
79.05502	46.0
81.03423	11.3
81.07072	47.9
83.04976	14.9
83.08627	29.7
84.08150	10.2
85.02902	11.5
85.06566	5.3
86.09722	6.9
91.05486	39.6
93.07053	44.7
95.04979	77.7
95.08611	27.8
97.02884	5.7
97.06522	5.6
97.10186	26.9
99.04487	4.6
105.07044	40.8
107.04945	9.3
107.08617	56.0
109.06574	7.8
109.10174	19.2
110.07159	3.5
111.04453	9.9
111.08092	9.0
117.07024	14.8
119.08604	31.8
121.06557	6.2
121.10164	21.6
123.08070	7.6
123.11713	5.6
125.09653	19.4
129.07037	6.0
129.10263	4.5
131.08606	23.6
133.06514	3.7
133.10129	28.9
135.08092	7.1
135.11719	6.8
136.88261	4.3
139.07407	3.4
143.08591	4.9
143.10562	3.3
145.10123	31.0
147.08026	10.1
147.11682	10.5
149.09641	40.7
151.07579	5.1
153.12804	4.2
159.11690	10.4
161.09683	7.0
161.13194	4.8
163.11203	31.9
171.11717	3.9
173.13277	9.4
175.11189	4.7
184.07359	4.5
187.11192	3.5
189.11238	20.1
205.12190	8.8
223.13319	52.2
227.12831	10.7
239.18123	6.8
245.13774	4.0
257.19061	15.5
270.45996	3.8
275.20074	92.6
293.21155	45.5
349.19803	6.5
349.23767	73.8
367.24805	100.0
492.23724	4.7
516.25073	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	547.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27060	1.9
50.35395	2.0
51.13631	2.0
52.30378	2.1
53.03943	2.5
54.24035	2.6
55.01872	4.5
55.05513	21.5
55.60159	2.3
57.03433	5.2
61.02936	5.3
65.74949	2.0
67.05510	17.8
69.03412	5.4
69.07076	17.1
70.06593	3.0
71.04980	3.6
78.58683	1.9
79.05492	23.0
81.03403	6.9
81.07061	22.2
83.04996	11.2
83.08634	15.2
84.08150	4.2
85.02897	9.9
86.09693	6.0
91.03921	2.9
91.05483	17.8
93.07037	22.5
95.04977	41.3
95.08602	17.2
97.02885	3.6
97.06516	4.7
97.10154	7.3
99.04458	5.0
104.10660	2.0
105.07040	19.0
107.04964	7.2
107.08591	22.8
109.06512	7.3
109.10152	8.3
111.04427	10.6
111.08080	5.2
115.03886	3.2
115.05454	2.1
115.13573	1.9
117.07021	8.5
119.08583	16.0
121.06515	5.9
121.10137	13.0
123.08057	5.1
123.11748	2.3
125.09615	7.6
127.03952	4.8
129.07008	2.4
131.08572	13.7
133.10120	12.5
135.08044	5.7
135.11691	7.0
137.09619	3.3
139.07579	2.6
145.10139	16.2
147.08067	4.9
147.11678	6.9
149.09610	17.4
151.11188	2.2
157.10153	3.4
159.11676	6.5
161.09625	3.7
161.13251	2.7
163.11194	17.9
169.10046	2.4
173.09627	2.5
173.13286	4.8
175.11324	2.3
183.11755	3.6
187.11111	4.4
189.11227	6.7
193.12225	2.6
205.12183	4.2
216.07317	2.5
223.13318	27.1
239.17978	2.7
257.18954	6.0
264.92645	2.2
275.20084	49.0
275.22995	1.6
289.17966	3.7
293.21082	25.0
302.11984	2.8
335.18726	2.4
349.23785	7.6
367.24789	100.0
370.84460	2.4
378.60565	2.3
385.21313	2.7
421.37534	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	547.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79375	2.4
50.94213	2.4
51.35389	2.5
53.03956	5.7
55.01881	8.5
55.05521	16.9
57.01835	2.2
57.03450	14.1
57.07060	4.0
61.02933	34.9
65.03943	3.2
67.05177	4.5
67.05508	50.5
67.07157	2.4
68.05377	2.6
69.03440	23.5
69.07082	19.9
69.36013	6.6
69.36437	12.4
70.06597	5.1
71.01331	3.1
71.04991	7.6
73.02927	15.4
73.45301	2.4
79.05502	43.4
81.03427	16.7
81.07065	59.1
83.04979	7.1
83.08627	8.6
84.68245	2.4
85.02914	35.9
85.06581	3.0
86.09710	3.0
86.91645	2.9
87.04447	2.3
91.03964	17.6
91.05486	49.4
93.07056	40.1
95.04958	14.5
95.08615	25.6
97.02920	26.3
97.06530	9.6
97.10163	3.1
99.04468	5.7
101.02400	8.9
103.03957	4.9
105.07047	44.6
107.04974	8.4
107.08628	24.7
109.02868	5.5
109.06519	8.3
109.10178	16.6
111.04479	2.3
111.08083	6.5
115.03922	3.2
117.06999	18.0
119.08595	46.2
121.06494	5.2
121.10131	15.3
123.08070	8.8
123.11668	4.1
127.03939	16.8
129.05527	6.5
129.07028	7.0
131.08571	24.2
133.06529	3.2
133.09250	3.9
133.10153	37.3
135.08087	8.3
135.11707	12.8
137.09654	5.2
141.07028	4.1
143.08557	5.3
145.04976	4.7
145.06429	3.3
145.10146	30.4
147.11723	18.3
149.09618	7.8
149.13260	3.1
155.06239	2.5
155.08537	2.7
157.10138	9.8
159.11694	16.5
161.09753	3.6
161.13275	7.5
163.11165	6.7
169.10161	6.1
171.11723	7.3
173.13297	9.6
177.12802	3.6
179.10643	2.8
183.06541	5.7
183.11790	4.9
184.07364	4.6
185.07559	2.6
185.13309	2.8
197.13223	2.8
201.07689	3.4
215.14265	2.9
227.12659	3.1
229.19518	3.1
233.15323	3.1
239.18002	11.7
247.20592	4.5
255.15979	3.6
257.19046	21.3
275.20102	100.0
297.88452	2.4
311.17703	8.9
314.43768	2.7
325.69073	2.3
331.22684	9.8
349.23737	18.9
367.20383	5.1
367.24878	9.3
373.23663	3.1
385.21375	54.4
407.07584	2.8
413.20956	2.7
529.26697	5.5
529.35120	3.1
547.26929	22.4
547.35620	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	546.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01883	6.2
55.05517	8.4
57.03428	4.1
57.07073	1.0
61.02925	1.9
61.43467	1.0
65.03914	1.5
67.05177	1.5
67.05509	19.5
68.05842	2.0
69.03423	2.2
69.07073	14.5
69.48991	7.6
70.06580	0.9
71.04995	1.5
79.05498	17.5
80.05820	1.4
81.03418	6.9
81.06591	1.7
81.07063	27.2
82.07390	2.7
83.04995	6.2
83.08623	5.6
85.02898	1.9
90.98576	1.0
91.03929	1.7
91.05486	21.5
92.05786	1.5
92.78040	1.0
93.07051	18.7
94.07363	1.8
95.01329	3.0
95.04989	5.7
95.08618	12.3
96.05268	1.1
97.02914	1.9
97.06538	10.7
97.10161	3.0
105.07034	28.1
107.04955	9.5
107.08593	10.9
108.08931	1.3
109.06512	5.8
109.10159	4.5
111.04427	1.7
111.08078	1.9
117.07018	6.5
119.08594	16.4
121.06515	2.7
121.10130	5.1
123.04482	1.7
123.08084	2.3
125.09632	2.2
127.03915	1.0
129.06975	1.6
131.08571	9.1
133.06517	1.1
133.10143	15.8
135.08064	2.3
135.11693	5.9
136.12007	1.6
137.09619	1.9
143.08546	2.9
145.06459	1.4
145.10133	7.8
147.08055	2.2
147.11685	6.0
149.09625	4.4
149.13309	2.3
155.08522	1.2
157.10106	2.3
159.11687	6.1
161.09627	1.4
161.13287	2.6
162.10001	1.2
163.11198	2.7
169.10112	2.7
171.10309	1.0
171.11649	2.1
177.12717	1.9
179.14313	3.5
181.12242	1.9
183.11743	1.4
195.11560	1.2
216.36618	1.0
219.13840	0.9
223.13098	1.3
255.15871	2.2
256.16266	1.9
257.19012	2.2
273.18546	4.9
274.18842	4.3
275.20096	25.3
291.19577	2.3
292.19852	2.1
323.13669	1.0
348.22531	1.9
349.23752	100.0
367.24762	3.1
399.80624	1.0
472.61380	1.2
511.28528	1.5
528.34167	3.0
546.35339	10.6
548.36395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
53.67395	1.8
55.01865	4.9
55.05514	23.3
57.03437	10.6
57.27189	1.6
61.02922	5.2
61.24298	1.7
63.49541	1.6
65.03947	2.4
67.05511	39.1
68.05834	2.3
69.03447	3.8
69.07076	17.5
70.07422	2.1
71.04976	5.1
73.02911	1.8
79.05495	33.2
80.05835	4.2
81.03426	7.4
81.07065	37.9
82.07397	4.9
83.04976	6.8
83.08616	12.5
85.02918	5.6
85.06546	2.5
86.98627	1.7
88.22430	1.6
91.03979	1.8
91.05481	26.6
92.05807	5.0
93.07047	33.0
94.07358	4.7
95.04972	67.5
95.08615	19.4
96.08967	2.6
97.02912	4.3
97.06535	5.5
97.10148	8.2
98.10487	1.6
105.07035	23.8
106.07359	4.3
107.04958	17.2
107.08607	19.8
108.08945	4.0
109.06538	8.4
109.10174	15.0
110.10496	2.0
111.08107	4.8
117.07044	14.7
118.07451	1.9
119.08591	17.5
120.08929	3.2
121.06516	20.0
121.10150	11.0
122.10490	3.2
123.08080	5.5
123.11741	3.1
125.09628	9.4
129.06999	6.9
131.08588	19.9
132.08910	5.4
133.06511	2.5
133.10143	12.5
134.10527	3.1
135.08067	7.6
135.11699	9.0
136.12048	2.6
137.09743	2.0
141.06981	2.3
143.08569	7.2
145.06490	3.8
145.10141	23.0
146.10478	5.1
147.08080	4.0
147.11699	8.7
148.12015	3.7
149.09608	16.9
149.13275	3.8
155.08566	2.5
157.10130	7.7
159.11739	10.9
160.11940	2.7
160.61317	1.5
161.09641	5.9
161.13344	3.4
163.11209	20.4
165.12784	3.6
169.10147	3.5
171.11694	5.8
172.12125	3.2
173.11752	1.5
173.13313	5.2
174.13641	2.0
175.11258	2.3
177.12790	7.8
183.11725	4.8
183.48747	1.9
184.11905	1.7
185.13222	1.9
186.13586	2.3
187.11241	5.7
189.11272	11.0
197.13243	2.1
199.14821	2.5
205.12256	27.0
207.13876	2.2
227.12776	11.2
239.18024	2.8
241.19586	2.3
242.19899	2.0
245.13754	8.0
256.16269	2.5
257.19061	5.7
259.20523	2.5
260.20975	2.5
269.17380	4.6
270.17920	4.5
273.18433	3.8
274.18802	5.5
275.20081	89.8
276.20404	2.0
293.21033	4.2
297.16919	26.0
334.24597	3.2
349.23752	17.7
367.24805	100.0
371.86337	1.7
383.22180	5.4
391.24753	4.0
409.25876	4.2
418.31155	2.5
436.32904	7.1
445.25778	2.3
454.34290	4.7
457.25732	2.5
472.35196	5.1
475.26944	3.9
484.51898	1.6
493.27972	5.5
493.45975	1.8
518.39142	4.0
528.37775	33.1
546.38916	19.0
550.79382	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	546.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38125	0.6
53.93929	0.6
55.01865	1.7
55.05518	4.3
57.03423	2.5
57.07071	1.5
61.02915	1.6
67.05512	8.6
69.03422	1.3
69.07071	6.5
69.26882	3.9
69.27283	1.2
71.04996	1.0
76.40896	0.6
79.05499	8.9
79.48692	0.6
81.03413	0.9
81.07065	13.2
82.48417	0.5
83.04971	2.6
83.08613	1.8
85.02911	2.0
91.03968	0.7
91.05487	7.6
93.07054	12.1
95.04964	2.2
95.08616	7.3
97.02884	0.8
97.06512	2.4
97.10159	1.7
98.20794	1.2
105.07049	11.8
107.04952	2.7
107.08599	7.3
109.06535	4.2
109.10176	3.7
111.08102	1.5
117.07044	4.6
119.08594	5.8
120.16860	0.7
121.06525	6.6
121.10165	5.4
123.08062	1.9
123.11728	1.5
127.03859	0.8
129.07013	1.7
131.08575	8.5
133.06528	1.8
133.10132	8.0
135.08070	3.2
135.11708	3.2
137.09616	0.9
141.06944	0.9
143.08563	1.7
145.06459	0.9
145.10132	6.9
147.08049	2.5
147.11685	5.8
149.09628	3.8
149.13272	1.9
151.11235	2.2
155.08478	0.9
155.38574	0.6
157.10110	2.1
159.08063	1.2
159.11688	4.8
161.09621	2.4
161.13245	2.0
163.11200	4.6
163.14871	0.8
169.10089	0.8
171.11710	1.8
173.09677	1.8
173.13261	3.0
175.11234	2.2
177.12833	1.1
183.11708	1.7
185.13312	0.8
187.11252	1.4
190.78992	0.7
191.14345	2.2
197.13336	1.2
201.12813	1.8
207.13834	1.8
215.14226	0.7
215.17982	1.0
219.13831	1.9
229.19614	1.7
239.17963	3.1
247.20604	2.1
257.18961	5.5
275.20090	40.6
293.20950	3.0
349.23755	100.0
350.24164	0.8
367.24817	26.1
401.09863	0.7
490.72119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05515	4.2
57.03432	4.4
57.07063	1.5
59.05005	0.9
61.02915	2.8
65.03953	0.7
67.05511	12.0
69.03401	1.2
69.07074	7.4
70.86732	2.0
71.04980	2.2
72.42196	1.0
73.02919	2.0
77.93885	0.8
79.05487	8.8
81.03422	1.6
81.06596	0.9
81.07059	15.2
82.07374	1.0
83.04983	2.8
83.08604	2.3
83.21944	0.8
85.02921	4.0
85.06510	1.0
86.09710	2.2
91.03952	1.6
91.05476	7.6
93.07045	13.0
95.04969	3.8
95.08614	7.9
97.02889	2.8
97.06516	2.3
97.10178	0.7
99.04429	0.9
104.10744	1.2
105.07046	13.5
107.04942	2.8
107.08599	7.4
109.06542	5.1
109.10168	4.7
111.04463	0.9
111.08057	1.8
112.90397	0.8
117.07021	3.5
119.08585	6.7
121.06527	4.8
121.10130	5.1
123.08070	3.2
123.11649	1.6
124.99979	0.8
125.09622	1.6
127.03899	1.0
129.07008	1.4
129.10178	0.8
131.08566	7.7
133.06516	1.9
133.10115	9.7
135.08041	2.5
135.11705	2.7
137.09669	1.1
143.08588	1.5
145.06595	0.9
145.10159	6.5
147.08084	1.8
147.10852	0.7
147.11708	6.9
147.63441	0.7
149.09634	3.3
149.13216	1.7
149.88986	0.8
151.11191	2.1
157.10139	1.8
159.08000	1.5
159.11722	4.0
161.09653	1.5
161.13255	1.7
163.11212	4.0
169.10204	1.2
171.11801	1.7
173.09628	2.2
173.13300	2.4
174.99002	0.8
175.11168	1.9
177.12695	1.3
179.03612	0.8
183.11674	1.2
184.07323	2.7
185.13274	0.9
187.11102	1.0
191.14343	1.7
197.13408	0.9
201.12875	1.7
207.13785	1.9
215.14290	0.9
215.17899	1.0
219.13838	1.6
229.19464	1.3
235.16925	3.3
239.17970	1.6
247.20602	2.0
257.19016	5.2
275.20087	32.2
293.21277	4.7
349.23746	100.0
367.24908	4.1
383.13547	0.9
391.24942	0.9
511.28851	2.0
546.27313	1.0
546.35693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
53.62452	1.3
53.74514	1.3
55.01873	3.6
55.05520	20.3
57.03442	10.7
57.07068	2.9
59.04995	1.6
62.65547	1.2
65.03941	2.3
67.05509	55.5
69.03426	2.5
69.07071	21.1
69.72231	1.2
70.11400	3.7
71.04986	4.0
73.02921	1.3
79.05497	39.6
81.03415	2.9
81.07060	57.9
83.04996	4.0
83.08616	13.4
85.06560	4.2
91.05484	34.6
91.06019	2.3
93.07049	44.3
95.04989	4.7
95.08609	29.8
97.06516	6.2
97.10176	7.6
103.05490	1.9
105.04533	1.6
105.07035	34.3
105.07695	2.2
105.83297	1.2
107.04957	2.6
107.08598	25.9
109.06569	3.7
109.10155	14.6
109.10719	1.2
111.08129	3.2
113.09678	1.6
117.07026	17.0
119.08595	32.5
119.86022	1.3
121.06492	3.0
121.10154	17.4
122.11408	1.2
123.08110	3.9
123.11747	5.4
125.09631	2.1
128.06267	2.9
129.07022	12.5
130.07837	1.9
131.08572	28.9
133.10139	26.1
135.08069	1.6
135.11681	13.6
141.07019	3.3
142.07814	2.4
143.08563	17.2
143.09579	1.8
145.10127	25.5
145.11159	2.0
147.08054	2.0
147.11682	19.8
149.09689	3.1
149.13260	13.5
151.11198	2.8
155.08569	8.2
156.09413	2.2
157.10153	18.0
159.11687	23.6
159.12831	1.5
161.09669	2.9
161.13266	13.3
163.11237	3.0
163.14856	2.5
167.08644	1.6
167.14195	1.3
169.10150	8.7
171.11682	17.4
173.13271	13.7
175.11324	1.8
175.14857	4.5
177.12802	2.5
181.10237	3.8
183.11736	9.8
185.13310	14.4
187.11168	1.9
187.14873	5.9
195.11774	4.1
195.13861	4.0
197.13237	8.2
199.14845	8.1
201.16541	1.7
207.11740	2.5
209.13321	3.7
211.14944	4.0
213.16539	3.0
221.13371	2.1
223.14938	2.4
225.16437	1.6
229.14319	2.2
231.17485	1.9
231.21092	2.4
235.14925	1.8
237.16399	2.1
241.19548	11.4
259.20590	21.4
261.22318	2.3
267.15842	3.2
269.17480	20.6
273.18744	2.0
275.20120	2.1
277.78366	1.4
285.22269	1.3
291.19589	1.7
297.22272	2.0
301.21823	1.8
301.25183	1.4
311.23877	2.8
313.22055	1.7
315.23248	4.7
317.25031	1.6
333.24243	17.0
341.24878	2.3
398.84833	1.6
417.31622	3.6
425.34457	4.2
435.32547	15.9
453.33688	19.8
471.34683	16.5
499.37955	2.9
501.36050	3.6
509.36310	10.1
515.37665	2.6
517.38879	10.8
527.37366	100.0
545.38513	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.8
55.01870	5.0
55.05270	2.4
55.05516	31.4
57.03444	9.7
57.03666	1.8
57.07071	4.6
58.31087	1.7
65.03932	2.6
66.73352	1.9
67.05510	63.7
69.03427	3.3
69.07072	29.1
69.33929	1.8
71.04996	5.6
71.08623	1.6
79.05495	55.2
81.03423	5.4
81.07060	80.7
82.07398	2.2
83.04973	6.4
83.08631	17.0
85.02911	2.3
85.06544	4.9
91.05489	47.6
92.05801	2.4
93.07047	55.8
95.04968	8.4
95.08614	41.2
97.06542	10.3
97.10171	10.0
98.20743	5.5
99.08121	2.6
105.04507	2.0
105.07037	43.7
107.04964	4.7
107.08604	32.1
108.08923	1.8
109.06540	8.5
109.10159	18.2
111.08071	6.3
115.05429	1.9
117.07011	20.3
119.08586	40.9
120.55308	1.6
121.06528	4.5
121.10154	24.4
123.08048	3.5
123.11712	4.9
125.09642	5.1
128.06226	4.1
129.07018	18.1
130.07762	3.4
131.08585	32.3
133.06471	3.1
133.10130	30.4
135.07985	4.7
135.11693	18.4
139.11234	2.3
141.06998	3.8
142.07784	2.1
143.08546	20.7
144.09302	2.5
145.06494	2.1
145.10129	36.9
147.08014	2.7
147.11693	22.1
149.09619	4.9
149.13284	14.0
151.11214	3.7
155.08594	8.7
156.09346	3.3
157.06502	2.1
157.10135	22.0
159.11707	27.6
159.12920	3.3
161.09627	4.2
161.13274	15.8
163.11208	3.2
165.12801	3.4
169.10136	12.6
171.11734	16.5
173.09753	1.8
173.13278	16.7
175.11201	4.0
175.14839	5.4
177.12729	4.2
181.10078	3.0
183.11714	10.4
185.09586	2.1
185.13261	15.8
187.11238	3.0
187.14801	5.8
193.10236	2.6
195.11655	5.7
195.13664	4.0
197.13286	7.7
199.14827	7.2
201.16454	3.7
209.13234	3.9
211.14819	4.0
213.16463	4.4
221.13231	2.4
223.14868	2.9
227.12706	2.7
227.17941	1.9
229.31134	2.2
231.17622	2.5
231.21040	1.8
241.19630	11.0
257.18881	2.1
259.20605	20.9
267.15942	2.6
269.17395	20.2
273.18530	6.1
275.20111	4.6
277.21729	3.2
291.19482	3.3
297.22235	1.9
299.23685	2.9
311.23758	2.3
315.23080	4.4
323.23505	1.9
327.23117	3.5
328.30911	2.1
333.24271	16.6
365.23926	2.2
366.23578	5.4
373.15076	2.1
417.31653	5.4
425.33963	5.9
435.32669	15.8
453.33649	17.2
471.34836	13.7
499.37283	3.1
501.36087	2.3
509.36057	8.0
515.37408	3.1
517.38940	12.8
527.37408	100.0
545.38593	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.0
53.03951	5.3
55.01865	2.0
55.05518	20.1
57.03444	7.1
57.07079	2.6
63.32096	0.9
65.03934	2.3
66.91863	1.0
66.97635	0.9
67.05510	45.3
69.03416	2.6
69.07086	11.7
69.46021	7.7
71.05000	3.7
74.73740	1.0
79.05499	41.1
81.03426	29.2
81.07065	47.5
83.04989	7.8
83.08624	17.2
85.02914	12.3
85.06563	2.0
88.65347	0.9
91.04905	1.7
91.05486	36.0
93.07050	37.4
95.04968	15.5
95.08620	26.0
97.06540	4.1
97.10178	7.4
97.84447	1.0
99.08077	1.3
103.05504	1.2
103.97959	1.0
105.04533	1.7
105.07041	25.0
107.04957	4.0
107.08602	22.3
109.06529	3.4
109.10170	13.2
110.33906	1.0
111.04446	1.2
111.08081	5.8
115.05461	1.7
117.06989	6.4
117.81933	1.2
119.08591	21.2
119.09383	1.9
121.06523	2.3
121.10143	16.2
123.08093	2.4
123.11700	4.2
125.09653	4.4
127.07563	1.1
128.06250	1.2
129.06999	6.7
131.08591	14.0
133.10158	12.4
135.08072	2.9
135.11694	8.9
137.09642	2.1
142.07840	1.5
143.08609	4.5
145.10130	10.7
147.08070	1.7
147.11690	11.1
149.09673	4.0
149.13271	5.3
155.08543	1.9
157.10126	9.7
159.11699	7.3
161.13312	4.4
165.12766	2.0
169.10158	2.8
171.11736	3.9
173.09686	1.2
173.13283	4.6
175.11247	5.0
175.14876	2.3
177.12897	1.6
183.11694	1.3
185.13235	1.9
187.14792	2.2
189.11259	2.2
191.18440	1.0
193.10532	0.8
193.12262	23.1
195.13875	1.1
197.13390	2.5
199.14850	1.2
209.98129	1.2
211.13293	24.9
223.14980	1.3
227.12837	4.4
243.21118	1.6
249.14983	1.1
261.22205	4.6
267.15808	5.7
269.17499	1.4
273.18579	1.3
275.20065	1.5
301.25348	3.3
303.23004	1.3
333.24426	1.9
335.25906	4.5
417.31555	2.1
435.32687	4.2
453.33759	5.8
460.33157	2.2
471.34698	4.8
509.36273	1.3
527.37390	21.8
545.38422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19743	0.7
50.33180	0.6
51.02367	1.3
53.03953	4.0
55.01869	2.5
55.05516	19.3
55.22620	0.6
57.03438	7.4
57.07075	1.1
59.05013	0.8
60.06025	0.6
61.80885	0.7
65.03939	2.6
67.05508	39.9
69.03431	2.0
69.07073	11.8
69.14657	7.0
71.04998	4.6
77.03944	1.0
79.05500	37.7
81.03425	28.3
81.07059	40.0
83.04990	6.0
83.08624	14.1
85.02908	13.3
85.06556	1.6
91.05486	32.9
93.07047	36.3
95.04975	13.7
95.08610	24.2
97.06548	4.6
97.10162	4.8
97.96299	0.6
103.05476	0.8
105.04533	1.1
105.07037	23.6
106.13731	0.7
107.04960	3.0
107.08594	16.9
109.06522	2.8
109.10161	9.2
111.04474	1.0
111.08089	6.2
113.05997	1.5
115.05464	1.0
117.07016	6.5
119.08591	18.6
121.06507	1.5
121.10146	14.9
123.08089	2.4
123.11719	2.3
125.09644	2.8
128.06229	0.8
129.07042	6.1
131.08566	12.2
133.06531	1.7
133.10126	10.3
135.11685	7.5
137.09618	1.5
142.07767	2.4
143.08592	2.8
144.17007	0.6
145.10127	9.0
147.08093	1.5
147.11687	11.5
149.09630	3.0
149.13264	4.4
151.11111	1.0
155.08618	1.6
157.10144	8.0
159.11708	5.2
161.13264	3.7
163.14839	1.3
165.12802	2.7
169.10194	1.2
171.11746	2.2
171.47874	0.7
173.11960	0.9
173.13217	3.8
175.11162	5.9
175.14847	1.8
183.11684	1.4
185.13326	1.4
187.14775	1.6
189.11212	1.2
191.08969	0.6
191.10835	0.7
193.12257	25.5
197.13281	0.9
199.14818	0.9
201.16388	1.5
211.13290	30.7
222.02773	0.7
227.12866	1.9
243.21072	1.5
259.20544	1.2
261.22153	5.0
267.15933	5.6
269.17535	1.3
285.16916	0.9
299.23746	1.3
301.25427	3.2
303.23209	0.9
306.86728	0.7
317.24826	1.0
335.25708	5.2
400.92877	0.7
417.31223	0.8
435.32687	2.9
453.33594	3.8
471.34616	2.0
489.83386	0.8
509.36597	0.9
517.38116	0.8
527.37323	19.2
545.38391	100.0
546.38995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16442	0.8
53.03946	5.8
55.01864	3.3
55.05273	1.4
55.05515	20.3
57.03442	7.3
57.07063	1.6
57.19313	0.8
65.03937	3.6
65.18862	0.8
65.71723	0.8
67.05145	1.2
67.05509	49.1
69.03423	2.7
69.07069	12.5
71.05001	4.8
79.05500	44.8
81.03423	32.4
81.07061	49.5
83.04989	8.1
83.08619	16.7
85.02431	1.5
85.02906	14.8
85.06545	2.0
88.05521	0.8
91.05488	38.8
93.07052	43.6
95.04977	17.0
95.08614	28.4
97.06538	3.9
97.10195	5.3
99.08061	1.3
105.04493	1.9
105.07039	24.4
107.04958	4.4
107.08595	20.1
109.06534	4.5
109.10162	12.2
111.08087	6.8
113.06053	1.4
115.05460	2.0
117.07035	7.7
119.08588	22.3
121.06538	1.9
121.10154	18.6
123.08080	2.9
123.11726	3.5
125.09640	4.6
129.07030	8.2
131.08578	17.9
133.06520	1.3
133.10143	12.5
135.08086	1.2
135.11719	8.8
137.09634	1.5
142.07808	2.4
143.08569	3.5
145.10133	7.7
147.08066	2.4
147.11678	11.3
149.09622	3.1
149.13278	5.1
155.08516	2.2
157.10117	9.8
159.11697	5.8
161.13280	4.2
163.11238	1.2
163.14832	1.2
165.12831	1.4
167.08862	1.0
169.10164	2.5
171.11720	3.2
173.13293	3.4
175.11200	7.1
175.14844	1.5
183.11699	1.7
185.13304	1.5
187.14847	2.2
189.11279	1.0
193.12267	28.0
195.11813	1.4
197.13315	1.3
199.14864	2.3
211.13306	29.0
211.15271	1.7
227.12766	1.8
243.21156	1.5
259.20554	1.6
261.22241	4.9
267.15942	6.5
285.22217	1.2
296.72192	0.9
301.25394	4.0
317.24765	1.4
335.25876	4.5
435.32727	3.7
453.33878	5.2
471.34625	3.3
509.36157	1.2
517.39075	1.5
527.37366	25.4
545.38428	100.0
546.38983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
54.18829	1.5
55.01883	6.0
55.05517	26.3
57.03437	15.4
57.07059	1.5
59.05018	2.6
61.02930	25.6
65.03970	1.7
67.05510	33.7
69.03438	18.8
69.07072	17.7
69.07417	1.6
69.38069	12.6
70.06599	14.5
70.85000	1.5
71.01381	2.7
71.05001	5.3
71.69701	1.6
72.08157	3.7
73.02924	14.4
78.52268	1.6
79.05502	29.8
81.03426	15.8
81.07066	52.4
83.04987	12.9
83.08630	14.9
84.04523	2.7
84.08160	10.6
85.02911	27.1
85.03371	1.8
86.09721	8.9
91.03970	14.3
91.05498	21.2
93.07050	26.7
95.04991	9.8
95.08604	17.2
97.02904	21.9
97.06555	5.6
97.10175	20.6
99.04504	6.0
99.08131	3.9
101.02415	5.3
103.04009	1.8
105.07037	15.4
106.15569	1.4
107.04974	11.5
107.08617	18.7
109.02925	7.2
109.06528	8.9
109.10154	11.8
110.07200	2.4
111.04456	11.6
111.08138	6.0
112.08810	1.9
115.03950	1.8
117.07020	10.4
119.08587	13.4
120.08140	3.2
121.06526	6.0
121.10149	8.0
123.08070	23.4
123.08823	1.7
123.11769	3.0
125.09643	21.5
127.03921	10.0
129.07010	3.3
129.10251	7.3
129.59413	1.5
130.06572	1.4
131.08545	8.8
133.06511	3.0
133.10162	8.5
135.08081	7.7
135.11716	8.7
136.07602	3.7
137.06026	3.4
137.09648	6.1
137.61026	1.5
143.08624	4.9
145.04959	3.2
145.06522	1.8
145.10109	10.3
147.04410	1.8
147.08084	4.7
147.11737	6.7
149.06154	1.7
149.09608	8.3
149.13383	1.6
153.09160	3.4
153.12804	5.6
157.10202	6.5
159.11731	4.4
161.09669	7.6
163.04007	2.3
163.11197	16.0
165.09187	6.2
171.10425	1.6
171.11783	4.0
173.09712	3.7
173.13274	2.4
175.11278	4.6
177.12808	2.9
181.12206	7.4
183.06700	2.8
185.09694	1.5
185.13351	3.4
189.11256	25.4
189.12749	2.9
191.10600	8.1
193.12332	4.2
201.07658	2.2
209.11678	2.9
211.13312	3.1
223.13403	3.8
227.12793	16.6
227.18076	2.1
245.13821	3.0
245.19077	4.4
249.15128	2.1
255.17535	3.6
263.20117	3.8
267.15994	3.2
273.18512	30.7
291.19550	62.5
309.20691	6.3
347.22290	6.8
365.23148	24.4
383.24319	36.8
389.23257	1.7
473.25974	2.3
491.26187	2.4
509.27560	2.7
527.29053	2.0
545.12817	5.1
545.33160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
53.77449	1.7
55.01880	10.9
55.05521	16.3
57.03442	12.7
61.02933	1.7
65.03934	3.2
66.78181	1.6
67.05508	32.7
69.03419	6.1
69.07060	13.3
69.20967	9.7
69.21379	5.5
70.06574	2.8
71.04977	3.1
73.02901	1.7
79.05067	2.8
79.05498	33.0
81.03410	7.8
81.07064	73.1
83.04986	16.3
83.08633	9.9
83.79827	1.7
84.08181	1.9
85.02898	9.9
85.06562	8.1
86.09744	2.2
91.05489	26.3
93.07053	27.0
95.04964	21.6
95.08612	11.9
97.02881	6.3
97.06527	7.2
97.10178	10.0
98.20811	3.7
99.04452	3.4
99.08070	1.9
102.33312	1.7
105.07041	18.8
107.04980	10.2
107.08600	16.9
109.02902	2.2
109.06527	48.4
109.10155	10.8
111.04462	21.1
111.08065	8.0
113.06023	19.5
115.05473	1.6
117.07026	10.6
119.08596	23.7
121.06497	9.3
121.10149	11.3
123.08090	5.1
123.11693	1.8
125.09642	6.6
127.03901	4.2
128.06245	2.6
129.05528	2.7
129.07019	8.1
130.07741	2.0
130.85266	1.6
131.08554	11.9
133.06467	3.1
133.10126	6.8
135.08057	22.7
135.11674	9.5
137.09622	3.0
143.08549	6.6
145.06480	1.9
145.10112	14.1
147.08054	10.7
147.11684	3.1
149.09637	8.4
153.12741	9.7
155.08565	2.0
157.10182	7.7
159.08038	3.2
159.11719	5.2
161.09622	13.2
163.03937	4.4
163.11177	13.7
165.09186	2.2
169.10051	2.0
171.11633	3.0
173.09659	2.2
173.13197	3.3
175.11206	2.6
177.12772	2.2
181.12222	7.3
183.11740	3.1
189.11295	4.0
191.10683	3.3
217.15938	3.3
219.13713	2.0
223.13284	2.7
227.12776	12.1
227.17760	1.8
229.14314	3.0
245.19046	2.3
249.14922	2.9
255.17462	2.9
273.15823	2.8
273.18515	30.7
283.15298	4.3
289.18091	1.7
291.19562	100.0
303.04980	32.2
309.20651	2.5
347.22220	15.8
353.47232	1.9
365.23251	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	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01864	8.3
55.05510	10.9
57.03435	4.1
61.02927	2.6
67.05500	22.0
67.05827	1.8
69.03430	4.0
69.07081	5.1
69.82834	8.2
70.06604	3.4
71.05006	2.5
79.05498	27.2
79.05913	2.0
81.03429	5.4
81.07059	72.0
83.04981	13.3
83.08629	7.3
84.04536	4.1
84.08176	2.0
85.02917	8.1
85.06513	1.5
88.04005	2.5
88.84717	1.5
91.05493	16.8
92.22313	1.5
93.07050	20.2
95.04973	8.5
95.08610	10.8
95.67133	1.3
97.02888	2.5
97.06552	4.6
97.10190	6.8
99.04456	3.0
100.11288	1.9
101.31857	1.5
105.07022	15.1
107.04981	5.8
107.08601	17.0
108.34853	1.4
109.06516	36.2
109.10145	7.8
111.04442	15.8
111.08105	6.7
117.07024	10.5
118.25665	1.3
119.08588	25.4
121.06519	6.4
121.10178	10.5
123.08118	3.1
125.09686	5.8
127.03956	1.8
129.07013	5.3
129.10307	1.7
130.05055	2.1
131.08563	9.1
132.64926	1.9
133.06548	3.5
133.10152	6.3
135.08031	7.5
135.11739	6.0
137.09618	2.5
143.08594	4.2
145.06464	1.9
145.10106	17.2
147.08067	12.0
147.11740	2.9
149.09633	4.8
151.07617	1.6
153.09175	1.5
153.12773	6.0
153.15421	1.5
157.10167	5.2
159.08078	3.3
159.11748	4.4
161.09608	8.9
163.04039	1.7
163.11168	13.2
165.09167	3.0
171.11707	3.6
173.09607	3.3
181.12280	5.1
183.10208	1.8
185.13350	2.4
189.11328	3.5
191.10681	7.0
199.11230	1.7
223.13278	2.1
227.12700	9.0
246.43565	1.6
249.05385	10.2
249.14935	3.8
255.17535	1.7
257.79584	1.6
273.18552	23.3
275.20319	1.6
277.21698	2.9
283.15430	6.8
291.19556	100.0
301.16492	2.3
347.22183	15.0
365.23273	57.3
545.35333	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	544.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01875	4.9
55.05513	6.3
56.05841	0.6
57.03440	3.3
57.07072	1.5
61.02907	0.4
62.06087	1.0
65.03938	0.7
67.05508	13.8
68.05833	1.0
69.03450	1.0
69.06730	0.7
69.07071	8.9
69.31200	0.8
69.31608	3.3
71.04990	1.3
71.08633	3.3
73.02945	0.5
75.23067	0.4
79.05067	0.7
79.05497	9.5
80.05813	0.7
81.03421	1.2
81.06591	0.9
81.07060	16.5
82.07394	1.4
83.04982	2.4
83.08619	4.5
85.02913	0.7
85.06535	1.4
86.73995	0.5
91.05482	9.8
93.07049	11.9
93.07636	0.8
94.07377	1.6
95.04971	2.1
95.08611	9.8
96.08933	0.7
97.06541	5.4
97.10172	1.2
98.06033	0.5
98.21503	0.8
98.98466	3.3
99.08107	1.8
103.05434	0.6
105.07032	9.9
106.07374	0.8
107.04961	1.1
107.08598	10.5
108.05348	0.5
108.08968	0.6
109.06521	7.7
109.10150	2.9
111.08067	1.9
117.07025	3.7
119.08584	11.4
121.06484	0.9
121.10149	4.9
122.07288	0.6
123.08076	6.9
123.11706	1.3
124.01610	0.6
125.00005	0.9
125.09629	1.2
128.06253	1.2
128.10754	0.4
129.07002	1.9
131.08575	8.2
133.10124	7.3
135.08060	20.0
135.11700	2.8
137.09599	1.5
141.06987	0.6
142.07782	1.4
143.08571	3.3
144.09302	1.3
145.10130	8.4
146.10463	1.0
147.08064	1.4
147.11700	5.7
149.09622	4.3
149.13295	3.0
150.13631	0.5
151.11160	0.9
155.01161	0.5
155.08553	1.2
156.09314	0.8
157.10136	5.2
158.10875	0.8
159.08061	0.7
159.11703	6.6
160.12050	0.6
161.09634	5.0
161.13275	1.4
163.11227	2.4
165.09200	1.3
165.12769	1.3
167.14366	0.8
168.09366	0.5
169.10101	2.0
170.10497	0.5
171.11707	3.5
173.02187	0.7
173.09648	2.0
173.13277	5.9
174.10335	0.6
175.11209	3.0
175.14853	2.7
177.12746	9.2
179.14304	9.4
183.11725	1.7
185.13319	1.4
187.11172	1.4
187.14842	1.2
189.12743	1.1
189.16423	0.5
191.10677	0.5
191.14345	2.0
193.12238	0.6
193.15813	0.7
195.11708	0.6
197.13292	0.8
198.05251	0.7
199.11113	0.6
199.14813	0.7
201.12685	0.7
203.14336	1.9
205.15877	4.1
208.07433	0.4
209.13506	0.5
211.14847	0.6
213.16374	0.9
215.18051	0.6
216.06339	1.8
217.15929	1.4
219.13875	0.7
231.17592	1.0
239.17995	0.5
243.17340	0.4
245.18979	0.6
257.18964	1.2
258.19534	0.8
263.20096	1.3
275.20102	1.8
276.20404	1.9
279.16272	0.5
287.20081	3.6
287.23471	0.8
289.21609	2.8
291.19669	1.3
293.21011	1.1
301.22266	0.4
301.25388	2.3
311.23706	1.1
317.21185	1.2
319.22491	0.7
329.24759	8.3
335.22421	0.5
345.24237	0.8
347.22025	0.9
347.25818	7.6
349.23663	0.6
355.26465	0.5
359.25821	0.7
363.25262	0.6
367.26331	1.2
372.28958	2.5
373.27316	3.5
385.27423	7.7
390.29865	0.5
403.28452	100.0
404.28830	0.9
408.31500	0.5
421.29611	1.5
483.25119	0.7
501.26144	9.3
526.29468	1.1
526.36761	2.1
544.30164	7.2
544.37195	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	543.3684
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.02382	0.5
53.03941	2.1
55.01878	2.9
55.05516	14.7
57.03442	3.4
57.07073	1.5
59.05012	1.1
65.03938	1.6
65.56327	0.7
67.05510	25.0
69.03426	1.1
69.07072	10.1
71.04993	1.4
79.05499	20.5
81.03423	5.6
81.07063	24.0
83.04987	3.0
83.08625	7.9
85.06543	1.8
91.05489	19.2
93.07051	16.9
95.04971	5.3
95.08609	11.9
97.06538	3.1
97.10172	6.8
99.08096	1.0
100.96583	0.6
103.05465	1.5
105.07040	18.2
107.04969	2.9
107.08599	12.8
109.06528	2.3
109.10167	7.9
111.08107	2.2
111.92545	0.6
113.09658	0.5
115.05479	1.9
115.10998	0.5
117.07021	10.7
119.08599	12.7
121.06525	2.4
121.10161	6.2
123.08072	2.2
123.11707	1.7
125.09653	5.2
128.06235	1.5
129.05530	0.7
129.07007	7.8
130.07779	1.0
131.04919	0.6
131.08571	15.2
133.06517	1.7
133.10152	9.5
135.08055	2.3
135.11702	4.0
137.09622	0.7
141.06984	2.8
142.07811	1.9
143.08572	8.7
145.06514	2.1
145.10135	13.4
147.08093	2.1
147.11688	6.5
149.09636	2.9
149.13277	2.4
155.08554	6.4
156.09309	0.7
157.06441	0.8
157.10130	8.5
159.08089	2.7
159.11694	9.1
161.09631	1.4
161.13208	2.9
163.11205	2.3
167.08612	2.6
168.09329	0.7
169.10129	6.4
169.32774	0.6
171.08102	1.5
171.10271	1.0
171.11655	6.7
173.09618	1.7
173.11885	0.9
173.13203	4.2
175.11259	1.1
175.14880	1.1
177.12721	0.7
179.08636	1.2
179.14333	0.8
181.10136	3.0
182.10960	0.6
183.11716	5.4
185.09610	1.7
185.13254	4.8
187.11220	1.8
187.13310	0.6
187.14862	2.4
189.11320	1.4
193.10153	0.5
193.12294	1.3
195.11746	2.9
195.13586	0.5
197.13283	4.3
199.11176	0.9
199.14850	2.5
201.12776	0.8
201.16344	1.1
207.11789	1.1
209.13402	2.7
211.11282	0.6
211.14897	2.6
213.12909	0.8
213.16499	1.2
215.14383	1.5
221.13338	1.3
223.14836	2.1
225.16377	1.0
227.12846	1.8
229.14333	1.4
233.15431	0.7
235.14771	1.0
237.16302	1.1
239.18068	0.9
241.19611	1.2
251.18158	0.7
257.19086	2.4
259.20700	2.2
267.16006	2.1
275.20114	6.1
283.20633	1.6
293.21228	1.3
295.20346	0.7
297.22229	1.8
299.20517	1.0
299.23813	3.0
301.21658	0.7
311.23618	0.6
313.21848	1.4
315.23300	1.1
323.23718	1.1
331.22787	1.0
333.24347	1.5
335.23587	0.7
339.23227	1.2
341.25211	0.7
351.23340	0.8
353.24664	1.1
357.24164	1.2
371.25760	1.3
415.30014	1.9
421.26218	0.9
423.32678	1.7
433.31165	7.0
451.32004	9.1
469.33118	4.6
487.34341	1.2
499.34589	1.0
507.34732	1.6
515.37347	2.5
525.29938	0.6
525.35791	19.5
543.36871	100.0
544.37677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
53.03929	2.2
55.01875	3.5
55.05515	16.8
57.03441	3.2
57.07062	2.3
59.05004	0.9
59.95675	0.7
63.68385	0.6
65.03947	2.1
67.05509	31.2
69.03423	1.9
69.07071	13.9
71.04988	2.5
71.53477	0.9
79.05497	24.5
81.03424	6.9
81.07062	33.0
83.04985	4.1
83.08616	8.6
85.02917	1.0
85.06540	2.1
86.31982	0.6
89.72634	0.6
91.05485	25.8
93.07045	25.1
95.04965	6.4
95.08607	16.5
97.06522	5.4
97.10182	6.9
102.64749	0.6
103.05466	1.2
105.04577	0.9
105.07034	21.0
107.04957	5.1
107.08597	15.6
109.06529	4.2
109.10159	7.8
111.08091	2.9
115.05472	2.2
117.07023	13.1
119.08581	16.3
121.06521	2.6
121.10138	8.6
123.08095	2.9
123.11717	2.8
125.09631	5.8
128.06230	2.3
129.06999	9.4
130.07838	1.0
131.08565	17.9
133.06503	2.5
133.10132	12.8
135.08054	3.5
135.11713	3.8
137.09587	1.4
139.11198	0.8
141.07016	3.3
142.07739	1.2
143.08566	8.5
144.09370	1.1
145.06514	1.9
145.10124	14.0
147.08054	1.8
147.11673	7.3
149.06001	0.9
149.09583	4.9
149.13274	4.7
151.11171	1.0
153.06972	1.2
155.08575	5.6
156.09366	0.9
157.10155	9.2
159.08105	3.2
159.11716	10.0
161.09654	2.1
161.13260	3.6
163.11185	3.8
165.12839	1.0
167.08606	2.3
169.10164	7.0
171.08032	1.5
171.11700	7.0
173.09660	2.8
173.11876	1.2
173.13220	4.0
175.11234	2.1
175.14922	1.3
177.12819	1.3
179.08572	1.0
179.14343	1.6
181.10176	3.3
183.11679	5.3
185.09628	1.7
185.13264	4.1
187.11234	1.8
187.13269	0.9
187.14920	2.5
189.11230	2.3
193.10287	1.1
193.12279	2.2
195.11711	3.3
195.13739	1.5
197.13295	4.2
199.11255	1.4
199.14851	2.2
201.12738	0.8
201.16513	0.8
203.14377	1.0
205.12126	0.7
207.11755	1.1
209.13251	3.4
211.11346	0.7
211.14908	1.8
213.12769	1.0
213.16566	0.9
221.13300	1.6
223.14914	2.1
227.12798	2.0
228.23503	0.7
229.14337	1.2
235.14885	1.2
237.16386	0.7
239.17952	1.5
241.15807	0.7
241.19586	1.1
251.16498	0.7
257.19046	3.8
259.20532	3.2
267.15881	3.5
269.17514	1.1
273.18500	0.8
275.20120	13.6
283.20663	2.2
289.17892	0.8
290.85358	0.7
291.19775	0.8
293.21191	2.6
297.22238	1.7
299.20331	1.1
299.23782	3.5
301.21820	1.0
313.21722	1.0
315.23331	0.8
324.72729	0.7
325.21658	0.9
327.23203	1.1
333.24396	1.6
339.23337	1.1
353.24872	0.7
357.24344	0.9
405.31851	0.7
415.30075	1.4
423.32651	1.8
431.28073	1.1
433.31046	5.2
451.32178	7.3
469.33008	5.2
507.34796	1.8
515.37695	1.5
525.35815	20.0
542.66547	0.8
543.36914	100.0
544.37073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01874	20.1
55.05515	47.3
57.03440	20.4
58.30018	2.2
59.05010	3.3
59.81965	2.3
61.02930	39.9
65.03934	5.5
67.05505	39.0
68.99764	2.1
69.03432	33.5
69.07070	67.9
69.20486	5.1
69.20889	18.3
70.06596	4.3
71.01357	4.3
71.05001	11.3
72.08142	2.2
73.02922	17.8
79.05495	46.3
79.05904	2.0
81.03422	44.1
81.07064	51.7
83.01330	2.1
83.04990	17.9
83.08625	24.8
83.22218	2.0
84.08174	2.6
85.02911	42.4
85.06530	3.4
86.09688	5.1
87.04430	2.7
91.03952	16.7
91.05481	36.6
93.03348	2.0
93.06488	2.8
93.07054	38.0
95.04995	21.8
95.08600	14.7
97.02895	51.7
97.06533	15.3
97.10165	39.8
98.20729	4.3
99.00789	2.7
99.04442	7.7
101.02383	8.6
103.03954	5.6
103.05456	5.0
105.07030	31.1
107.04945	20.3
107.08589	31.9
109.02896	19.2
109.06508	11.2
109.10172	11.9
111.04463	7.4
111.08072	6.1
113.06022	2.7
115.03916	4.9
115.05441	3.8
117.07010	15.2
119.04984	5.3
119.08590	26.1
121.02841	2.7
121.06499	15.3
121.10148	5.9
123.04436	9.7
123.08065	7.1
123.11634	2.7
125.09637	29.9
127.03914	22.4
128.06233	3.5
129.05476	4.8
129.07004	7.8
131.04895	3.0
131.08583	12.0
133.06485	5.7
133.10144	20.8
135.04445	3.4
135.08069	23.0
135.11722	6.3
137.06010	4.8
137.09653	10.3
139.03850	2.3
139.07581	3.3
141.06963	4.0
143.08572	7.4
145.04993	7.8
145.06506	7.9
145.10114	12.5
147.04431	4.8
147.08041	9.7
147.11671	7.9
149.05986	4.6
149.09621	10.1
151.11130	3.1
153.09126	6.6
153.12778	4.3
155.08524	3.9
157.10129	5.7
159.06665	2.0
159.08072	9.5
159.11714	4.3
161.05992	5.2
161.09593	13.2
163.03917	2.9
163.07541	20.6
163.11179	8.8
165.09100	4.5
171.08043	3.1
171.10275	9.8
171.11603	2.8
173.09692	4.5
175.07521	2.4
175.11240	5.1
177.09041	3.6
179.10715	4.3
181.12212	5.1
183.06593	5.0
187.11130	4.0
189.09149	5.7
189.11234	21.8
189.12785	4.6
191.10683	5.7
191.81935	2.1
193.10466	3.3
193.12256	64.5
197.09586	2.3
199.11176	2.5
201.07526	6.2
201.09171	2.3
201.12814	2.5
211.13319	2.6
217.12166	2.5
225.11124	4.4
227.12769	19.1
235.13124	3.3
243.17444	7.5
245.11664	11.1
245.13905	3.6
251.16373	2.6
253.15923	3.1
259.13116	2.9
261.18533	13.4
263.12729	5.8
267.15903	6.9
271.16858	12.8
275.20059	3.6
281.13849	2.9
283.15591	3.3
289.17981	76.0
307.19031	21.5
331.19217	3.6
349.23865	3.0
355.19113	3.3
363.21652	22.8
373.20132	3.8
381.22708	100.0
382.80289	2.0
400.43787	2.5
405.22748	2.7
409.22137	5.4
415.21191	3.8
433.22195	2.5
447.23669	6.7
451.23657	3.4
471.23553	3.3
477.24811	16.8
489.24747	9.6
507.25842	14.0
525.27081	20.3
543.27551	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	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50478	0.5
75.89448	0.4
85.02921	0.5
86.09725	0.8
97.02905	0.6
99.56695	0.4
136.06209	0.6
234.99033	0.4
247.12950	0.4
248.95387	0.5
315.10309	0.4
324.08200	0.4
363.07001	1.2
370.85202	0.4
381.07983	12.3
543.13251	100.0
544.13959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.133
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64149	1.6
94.93018	3.0
96.92799	1.0
114.66261	0.6
129.03906	0.5
188.89633	1.3
190.89528	1.3
196.86897	0.7
198.86681	0.7
204.87042	2.0
206.86920	1.5
212.84236	1.5
248.95195	0.7
265.48428	0.6
340.82849	0.7
367.92349	0.6
380.82272	0.6
381.07944	9.7
381.12427	0.9
471.36884	0.6
543.13269	100.0
544.13837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.5
55.01876	15.4
55.05513	32.3
55.43887	1.5
57.03440	24.0
59.05001	3.2
61.02930	48.3
65.03926	2.9
67.05505	28.8
69.03440	30.2
69.06742	2.2
69.07073	29.8
70.06613	2.5
71.01350	5.9
71.04985	5.6
71.14442	2.0
71.14763	2.0
73.02919	24.7
79.05073	2.4
79.05496	33.3
81.03422	32.4
81.06593	3.0
81.07060	48.7
83.01330	2.7
83.04987	15.2
83.08227	1.5
83.08629	17.7
84.08085	1.6
85.02911	44.6
85.06546	5.2
86.09640	2.2
87.04471	4.4
91.03960	24.9
91.04969	2.6
91.05486	29.4
93.07051	31.7
95.04975	18.0
95.08601	14.0
97.02299	2.8
97.02900	46.6
97.06544	8.8
97.10165	19.9
99.00812	5.2
99.04469	9.9
99.08073	4.5
101.02401	15.0
103.03922	5.3
103.05485	3.3
105.07040	24.8
107.04433	1.6
107.04978	17.8
107.07981	2.0
107.08610	24.2
109.02899	20.5
109.06522	13.4
109.10171	10.1
111.04456	7.6
111.08090	6.4
115.03918	5.8
115.05425	2.6
117.05521	2.1
117.07019	12.9
119.04939	2.1
119.08592	21.7
121.06492	9.1
121.10161	7.8
123.04405	5.6
123.08063	7.5
125.05989	2.2
125.09644	24.1
127.03928	24.6
128.06154	2.0
129.05469	4.9
129.06981	4.7
131.04944	2.1
131.08609	9.1
133.06480	5.0
133.10143	22.2
135.04401	1.9
135.08060	20.5
135.11684	5.1
137.05983	3.3
137.09628	11.1
139.07547	2.6
142.07771	2.3
143.08546	7.2
145.04944	6.0
145.06499	7.5
145.10094	8.7
147.04425	1.7
147.06842	1.3
147.08076	6.8
147.11687	4.4
149.05925	2.0
149.09641	6.0
151.07507	3.6
151.11226	5.4
153.09132	7.5
153.12776	5.5
155.08601	3.1
157.10088	4.4
159.06834	1.5
159.08067	11.5
159.11707	5.2
161.09622	12.7
163.07535	16.5
163.11153	9.9
171.08032	2.9
171.10275	2.8
171.11752	1.5
173.09592	5.0
173.13243	3.8
175.11197	2.2
177.09131	2.8
179.10730	7.6
181.08617	1.7
181.12193	4.7
183.06535	6.4
183.11635	1.5
187.11307	1.8
189.09122	7.2
189.11224	18.6
189.12764	2.9
191.10680	4.3
193.12274	25.6
197.11617	1.7
201.07590	5.2
207.10176	1.7
209.11629	3.0
211.13286	5.2
225.11200	4.1
225.16415	2.2
227.12773	8.4
239.12823	2.2
243.17421	6.1
261.18530	10.5
263.16302	2.0
269.17587	2.2
271.16980	12.4
275.20035	2.0
283.15604	1.9
289.17999	58.5
307.19064	20.4
335.18475	2.2
341.74420	1.5
363.21780	8.8
381.22705	100.0
409.22232	4.2
477.24615	2.8
489.24814	4.1
507.25787	2.8
520.91852	1.8
525.27118	9.4
543.27911	14.9
546.25989	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	542.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01863	2.7
55.05513	6.3
57.03439	5.5
57.07074	5.4
59.04710	1.2
59.05000	17.0
59.46239	0.9
61.02934	5.4
66.95497	0.7
67.05495	0.8
69.03429	10.0
69.07070	4.4
70.06593	7.2
70.14861	3.0
71.01344	2.4
71.04984	7.6
71.08632	5.1
72.08123	1.1
73.02922	25.9
73.06559	3.8
76.19630	0.8
79.05489	1.2
81.03425	3.1
83.04993	1.6
83.08607	2.8
84.04516	1.3
84.08167	3.8
85.02445	1.5
85.02915	20.4
85.06529	1.0
86.09711	3.4
87.04477	1.6
89.06023	3.7
93.07085	0.8
97.02898	18.9
97.10172	38.5
99.04451	1.0
101.06041	4.4
109.02882	2.1
115.03929	6.9
115.11205	3.7
119.08603	1.2
120.08120	2.5
125.09592	1.2
127.03921	7.8
129.10252	2.0
129.88449	0.8
133.04974	8.6
142.07574	0.7
143.10677	100.0
145.04974	7.6
147.04364	0.7
156.06586	0.8
163.06012	2.3
163.35538	0.7
168.57169	0.9
175.14992	0.8
185.15340	2.7
213.14859	41.5
216.04678	0.8
223.06078	1.1
231.15906	38.0
257.57623	0.8
259.08054	2.0
284.32938	0.7
294.49005	0.8
302.11053	0.8
332.95786	0.8
356.45624	1.1
361.82581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76780	0.6
55.05502	2.8
57.07080	34.4
67.05500	0.9
69.07067	2.4
70.97993	1.0
71.08636	22.4
73.06561	5.9
83.08645	1.8
85.10188	19.8
87.04479	5.9
87.08121	1.1
89.06036	100.0
91.07596	0.8
97.10192	3.3
99.11736	4.3
104.52722	0.6
107.07069	1.4
111.11710	0.6
113.13304	1.9
117.09130	5.4
130.08633	1.5
131.07076	1.0
133.08612	51.3
139.54942	0.7
155.17967	4.4
161.11743	1.4
171.64209	0.7
175.09779	0.7
177.11227	22.0
177.12698	1.3
178.27522	0.6
186.80698	0.6
195.12270	0.7
199.20560	4.2
221.13838	5.1
239.14862	0.8
243.23207	10.7
265.16568	1.8
283.17667	2.4
285.53687	0.7
287.25879	7.3
303.90787	0.6
305.88556	0.7
327.20166	2.2
371.22784	8.6
393.31903	0.8
437.34805	1.3
481.37869	1.5
525.40088	17.7
542.42883	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	542.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.9
56.05054	4.6
59.34851	2.0
60.04510	2.9
61.02896	2.7
67.05506	4.9
69.03409	3.8
69.07066	4.4
70.06596	34.8
70.86450	5.4
71.04990	3.0
72.08153	9.0
73.55267	2.7
79.05466	5.4
79.70042	2.0
81.03415	4.1
82.06564	3.7
84.04485	7.5
84.08149	23.5
85.02894	7.6
85.08451	2.9
86.09709	16.0
91.05476	9.7
93.07050	12.7
94.06594	12.8
95.04937	4.9
95.07340	12.3
95.08614	3.6
96.08142	24.4
97.06526	5.3
103.05473	3.2
105.07024	3.9
107.04945	2.9
107.08610	2.0
108.08140	24.2
108.08823	4.1
110.07161	5.1
110.09684	46.1
117.07030	3.1
118.06569	2.8
119.07307	2.1
120.08110	40.6
121.06467	3.9
121.08419	2.3
124.07574	3.7
129.10234	8.8
135.08061	3.6
136.07571	16.0
137.05989	20.0
138.09146	55.8
146.06058	3.0
148.07564	8.8
151.07512	2.4
163.07564	4.1
166.08643	100.0
171.25108	2.4
181.04973	4.7
184.07378	2.9
213.10269	3.0
223.08649	2.8
224.09315	2.8
225.10179	5.8
227.08168	4.2
237.10223	16.1
238.10915	2.9
239.08142	7.5
239.11751	3.9
241.09683	5.4
248.61626	2.4
251.08211	3.9
253.09785	15.3
255.11327	6.6
265.09726	33.5
267.07822	5.4
267.11240	9.0
281.00391	4.1
281.09235	18.9
283.10764	16.7
287.10336	4.9
293.09204	26.1
295.10773	20.1
299.10333	6.4
301.11880	2.5
309.08685	3.1
311.10110	10.4
313.11841	3.2
321.08743	10.6
325.11874	2.9
327.09729	22.0
331.13303	3.5
339.09796	34.4
341.11261	4.9
350.14267	2.8
353.11365	3.7
359.12332	44.8
371.12259	19.8
388.16379	4.9
418.17572	7.1
436.18863	4.2
446.17328	11.0
448.18573	3.3
464.18192	43.8
466.20123	3.0
474.16571	4.9
492.17676	93.5
506.19113	9.0
510.18103	2.5
524.20276	23.9
539.13623	2.4
541.85089	4.6
542.16919	4.0
542.41241	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	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.8
51.02391	1.3
53.03741	0.6
53.03952	6.4
55.01883	3.0
55.05514	23.4
57.03427	2.9
57.07078	9.0
58.06596	0.6
59.05002	0.6
65.03942	5.1
66.04736	0.5
67.05508	68.1
69.03437	1.6
69.07069	18.2
70.06599	6.1
70.98678	1.4
71.04993	3.0
71.06951	0.9
71.08634	4.5
73.02917	0.9
73.06544	1.1
77.03926	2.1
79.05496	81.7
81.03423	5.5
81.07057	55.3
83.04984	9.2
83.08618	8.7
85.02901	0.7
85.06551	2.7
85.10185	1.4
87.04476	0.5
88.07638	7.0
89.07975	0.7
91.05484	58.6
93.07047	71.4
93.93483	0.4
94.07369	0.7
95.04972	15.9
95.08611	39.2
97.02902	0.8
97.06545	3.9
97.10164	4.4
99.08085	1.4
102.09180	5.7
103.05482	2.1
103.09549	0.5
105.04507	3.6
105.07034	41.4
107.04961	4.4
107.08598	27.4
109.06516	6.2
109.10158	10.1
111.04448	0.5
111.08083	1.7
111.15358	0.4
115.05484	1.6
117.07027	11.4
119.08585	26.2
121.06537	2.1
121.10149	17.6
123.08070	4.4
123.11730	2.4
125.09645	0.9
127.07644	0.6
128.06204	2.8
129.07007	12.7
130.07803	1.2
131.08575	13.7
133.06487	0.9
133.10133	12.8
135.08069	1.0
135.11699	9.1
137.09653	1.6
137.13293	0.8
139.11252	0.7
141.07016	1.1
141.09148	0.7
142.07837	1.1
143.08572	9.8
145.10126	12.2
147.08035	1.8
147.11690	26.5
149.09622	0.6
149.13281	3.4
151.11206	0.5
153.12700	0.5
154.07845	0.5
155.08557	2.6
156.09338	0.8
157.10121	3.5
159.11690	4.8
161.09644	2.9
161.13258	11.0
163.14822	1.1
167.08597	0.6
169.10188	2.5
171.11702	20.4
173.13271	4.4
175.14806	1.1
177.12845	0.6
177.16563	0.7
179.14363	1.1
181.10138	1.1
183.11656	2.3
185.13313	1.8
187.14786	1.2
189.12732	8.0
195.11798	1.2
197.13295	1.7
199.14830	1.1
201.16446	0.8
207.13808	24.3
209.13434	0.7
211.14839	1.1
223.14996	0.6
225.14766	3.0
235.14856	0.9
239.18040	0.5
241.19478	0.7
243.21080	0.8
256.26352	13.3
257.26712	6.7
259.20621	1.0
261.22110	4.4
274.27414	1.1
281.17422	1.0
282.97983	0.5
283.26385	2.7
284.27014	2.3
284.29205	2.4
285.29837	1.3
297.22021	0.6
311.29428	10.3
312.29770	8.4
317.24887	1.7
335.26035	0.5
431.33270	0.9
449.34308	2.7
467.35422	1.3
485.36969	0.6
491.05914	0.6
523.38013	2.2
540.53522	8.7
541.38995	100.0
541.53522	37.5
542.39557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
50.94140	0.4
51.02381	1.6
53.03943	5.9
55.01868	2.3
55.05513	19.7
57.03431	2.3
57.07077	5.6
58.07404	0.5
65.03941	4.5
66.04742	0.4
67.05505	61.1
69.03421	1.3
69.07067	14.4
70.06600	3.9
70.97576	0.9
71.04999	2.7
71.08632	2.6
73.02900	0.4
73.06550	1.5
77.03927	1.9
79.05495	72.9
80.06262	0.5
81.03429	4.8
81.07058	53.3
83.04985	8.8
83.08621	6.5
85.06538	2.1
85.10201	1.2
88.07626	5.2
88.98590	0.4
91.05483	55.7
93.07044	69.0
94.07352	0.5
95.04973	14.3
95.08607	37.0
97.02939	0.4
97.06534	4.4
97.10180	3.0
99.08096	1.2
102.09178	3.8
103.05452	1.3
103.09559	0.4
105.04523	3.5
105.07031	36.4
107.04947	2.5
107.08598	22.7
109.06518	4.6
109.10160	10.2
111.08090	2.1
115.05454	0.9
117.06211	0.9
117.07020	9.9
118.06606	0.6
119.06036	0.6
119.08585	22.1
121.06513	1.8
121.10148	17.2
123.08068	3.8
123.11710	1.9
127.07586	0.6
128.06216	2.3
129.07014	11.3
130.07748	0.8
131.08563	9.1
133.06551	0.6
133.09134	0.6
133.10136	11.8
135.08092	0.6
135.11688	9.1
137.09660	0.5
141.06979	1.1
142.89357	0.5
143.08559	6.7
144.32721	0.4
145.10126	12.1
147.08047	1.5
147.11690	25.9
149.09654	0.6
149.13269	3.5
151.11192	0.4
155.08598	1.2
156.09329	0.7
157.10162	1.8
159.11717	4.5
161.09633	3.2
161.13258	8.9
163.11205	0.9
163.14868	1.7
165.09244	0.5
169.10106	2.2
171.11687	17.8
173.13269	3.6
175.14815	1.0
183.11720	1.6
185.13298	1.5
187.14784	1.2
189.12733	7.4
197.13297	0.8
199.14731	0.6
201.16486	0.4
207.13799	24.9
211.14757	0.6
212.14885	0.4
213.16539	0.6
222.51801	0.4
225.14784	4.2
243.21136	1.0
247.05510	0.4
256.26355	7.4
257.26743	3.8
261.22144	4.0
263.16031	0.6
274.27332	0.8
281.17484	2.6
283.26331	1.5
284.26736	1.0
284.29541	1.6
285.29858	1.0
311.29498	6.7
312.29742	5.1
317.24820	1.5
335.25983	1.0
431.33136	0.8
449.34058	2.1
467.35300	1.0
485.36011	0.7
523.37878	1.9
540.53491	8.9
541.38947	100.0
541.53308	24.1
542.39099	0.9
558.38165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.4
51.69827	0.4
53.03947	6.3
55.01873	2.4
55.05514	20.9
57.03436	3.2
57.07082	6.1
58.07424	0.7
59.04974	0.5
65.03943	4.9
67.05507	66.0
69.03426	1.6
69.07073	14.1
69.07458	0.7
70.06599	3.3
71.04992	2.4
71.08632	2.2
72.15157	0.5
73.06557	1.3
77.03917	2.2
79.05497	76.4
81.03423	6.3
81.07060	55.3
83.04994	8.4
83.08624	8.3
85.06538	2.3
85.10188	1.0
88.07638	5.4
89.07961	0.8
91.05486	55.7
91.61330	0.5
93.07048	71.2
95.04973	16.6
95.08611	36.5
97.02885	0.5
97.06533	3.8
97.10155	3.7
99.08027	0.6
102.09196	3.1
103.05487	1.7
103.09542	0.6
104.60066	0.4
105.04534	4.0
105.07035	39.4
107.04961	4.5
107.08598	27.5
109.06509	5.5
109.10155	12.1
111.08109	1.8
111.11753	0.5
113.09683	0.7
115.05487	1.4
117.07023	10.8
119.08584	21.8
121.06506	2.1
121.10146	16.8
123.08077	4.7
123.11726	1.5
125.09631	0.7
127.07667	1.0
128.06216	2.3
129.07010	10.8
130.07826	0.8
131.08569	9.1
132.09358	0.5
133.06528	1.2
133.10139	12.0
133.11108	0.9
135.08086	1.0
135.11703	9.2
137.09659	0.5
137.13254	0.4
137.74002	0.4
139.11133	0.5
141.07016	0.7
141.09183	0.5
142.07816	0.9
143.08577	7.7
145.10129	11.9
147.08073	1.7
147.11693	26.8
149.13255	3.1
151.11243	0.6
154.35832	0.4
155.06062	0.5
155.08600	1.4
156.09387	0.9
157.10138	1.8
159.11687	4.7
161.09665	3.3
161.13258	9.6
163.11261	0.8
163.14862	1.1
167.08618	0.6
169.10202	1.7
169.33513	0.4
171.11697	21.6
173.13297	3.4
175.14854	1.3
177.12842	0.5
177.16447	0.6
179.14357	0.9
181.10110	0.8
183.11746	1.6
185.13322	1.7
187.14922	1.3
189.12723	9.1
197.13400	0.9
199.14775	0.7
201.16486	0.6
207.13806	24.3
209.13240	0.6
211.14813	0.5
213.16396	0.6
225.14774	2.4
233.22690	0.5
243.21251	1.0
247.02284	0.4
251.17960	0.5
256.26367	8.2
257.26779	3.7
261.22189	4.0
263.16522	0.5
274.27603	0.8
281.17435	2.1
283.26306	2.2
284.26721	0.9
284.29538	2.0
285.29913	0.9
311.29416	6.2
312.29749	4.3
315.23679	0.5
317.24869	2.0
335.25626	0.9
363.72568	0.5
376.02521	0.6
431.33200	0.8
449.34067	2.4
467.35248	0.9
485.36267	0.6
523.37982	1.6
540.53528	8.9
541.38947	100.0
541.53357	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.3
57.03439	9.8
57.07098	6.4
58.48706	4.8
67.05508	19.4
68.17658	5.0
69.03436	29.4
69.07072	12.8
70.06601	31.5
71.04996	6.1
71.52584	8.2
72.08163	8.0
77.45222	4.6
77.63689	4.3
79.05503	17.0
81.03422	15.5
81.07053	29.3
83.04989	14.2
83.08635	9.2
84.08141	21.0
85.02910	32.9
85.06551	20.3
86.09715	15.0
87.00819	8.8
91.05505	14.1
93.07053	37.9
95.05000	10.1
95.08616	17.6
97.02895	14.3
99.04452	11.0
99.08108	7.1
105.01868	9.3
105.07043	15.0
107.04974	11.0
107.08608	21.3
109.02881	13.2
109.06528	11.6
109.10148	18.5
110.07187	6.5
111.08100	22.1
117.07004	7.4
119.08576	24.3
120.08102	10.8
121.06497	11.5
121.10147	26.8
123.04443	6.9
123.08077	5.4
123.11720	12.1
125.09648	22.9
127.03921	19.9
129.10248	11.7
131.08557	9.9
133.10187	22.7
135.08023	7.7
135.11725	10.9
137.05972	5.5
137.09644	17.3
137.89720	4.9
139.11237	9.8
143.08604	6.7
145.04962	8.2
145.10127	19.3
147.11713	10.0
149.09641	26.9
151.11130	5.8
153.09140	20.5
159.11690	9.5
161.09669	5.7
161.13293	7.9
163.11171	12.9
167.10623	6.4
170.38556	4.7
173.13326	23.9
177.12813	6.9
179.10701	8.3
185.13245	6.6
187.14832	15.1
189.12747	5.3
191.14357	13.6
201.12833	9.1
207.13846	7.5
215.17938	4.9
219.13771	9.3
229.19580	6.9
252.01167	5.3
257.19089	13.4
275.20078	100.0
293.21088	82.6
351.25449	5.5
541.29865	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	541.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
54.12401	2.0
55.01865	4.2
55.05510	13.2
57.03425	9.3
57.07063	2.9
61.01121	2.0
62.47168	2.0
65.02769	1.8
67.05515	13.9
67.08552	1.8
69.03425	15.7
69.07059	10.0
70.06573	6.6
71.04978	11.3
71.52509	3.2
73.02895	2.5
77.27225	1.9
78.85520	2.0
79.05499	15.2
81.03420	14.2
81.07043	22.6
83.04980	18.6
83.08610	8.4
83.96163	2.2
84.08141	3.7
85.02895	22.5
85.06548	5.3
86.09698	5.4
87.00810	8.9
91.05472	16.5
93.07040	38.1
95.04947	8.3
95.08615	27.1
97.02862	8.2
97.06517	9.2
99.04452	5.8
105.01839	4.5
105.07026	25.8
107.04930	7.3
107.08585	25.2
109.02862	9.4
109.06510	10.3
109.10159	30.6
111.08055	14.3
113.06060	2.4
113.09619	2.6
117.07037	3.0
119.08580	28.5
120.08012	2.3
121.06506	8.7
121.10128	27.9
122.07255	4.3
123.08063	8.7
123.11675	4.5
125.09605	8.8
127.03909	12.4
127.07548	5.8
129.09111	4.3
129.10172	3.0
131.08540	8.5
133.06512	2.3
133.10127	37.8
135.08038	8.5
135.11668	7.9
137.09615	57.8
139.11191	5.7
143.08543	5.1
145.04944	5.3
145.10074	12.7
147.08083	5.0
147.11632	11.5
149.09642	16.6
151.11209	13.0
155.10663	100.0
157.10107	6.4
159.02962	2.2
159.08038	3.7
159.11693	9.6
161.09633	13.7
161.13171	4.1
163.11165	7.3
169.10127	2.4
171.11696	3.1
173.09576	2.7
173.13249	17.6
175.11150	3.5
175.14790	5.9
177.12778	6.2
179.10648	2.3
183.11705	4.6
185.13181	2.5
187.11174	2.2
189.12708	2.6
191.14297	4.1
199.14728	2.9
201.12718	11.1
201.16455	2.3
203.14236	6.7
205.15785	5.9
213.03964	3.0
215.17981	2.7
217.15875	5.8
219.13989	3.5
231.04616	2.5
233.18877	3.7
239.17917	3.6
257.18909	16.2
275.16977	2.8
275.20047	68.3
293.21082	91.6
303.19461	3.8
361.11331	2.2
383.22195	2.9
461.25174	3.0
505.23889	3.5
529.55438	2.4
541.27185	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	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01861	3.9
55.05504	9.3
57.03444	11.2
57.07058	2.7
57.48330	2.0
61.02921	2.3
67.05505	16.3
67.57113	2.1
69.03431	21.8
69.07070	11.0
69.07368	1.9
70.06598	11.3
70.49941	4.8
71.04992	10.9
74.06049	3.0
79.05503	19.7
81.03430	11.9
81.07060	26.6
83.04981	16.9
83.08615	5.4
84.04510	3.7
84.08144	6.5
85.02908	23.7
85.06535	7.9
86.09702	6.6
87.00822	8.1
91.05485	16.4
93.07047	38.3
95.04978	6.8
95.08609	35.6
97.02893	9.1
97.06528	5.8
97.10175	3.1
99.04453	7.9
99.08114	4.5
105.01854	5.7
105.07043	26.4
107.04941	6.6
107.08605	20.6
109.02879	7.9
109.06518	9.0
109.10169	33.0
111.08092	12.5
113.09640	5.0
115.95485	2.3
117.07000	4.4
119.08581	32.3
120.08092	2.8
121.06515	14.6
121.10147	39.2
122.07256	5.1
123.08075	7.0
123.11737	3.3
125.09624	13.4
127.03947	12.2
127.04693	2.2
127.07564	5.5
129.09140	2.6
129.10193	3.2
131.08568	7.1
133.06538	2.6
133.10136	48.1
135.04451	2.3
135.08092	9.5
135.11699	7.7
137.09624	72.7
139.11182	9.0
143.08601	4.7
145.04953	4.5
145.10107	15.1
147.08052	7.3
147.11714	14.1
149.09636	24.6
149.13278	2.4
151.11169	11.6
155.10681	74.2
157.10182	6.0
159.02870	2.9
159.08029	4.7
159.11674	9.2
161.09618	15.6
161.13219	4.8
163.11194	6.7
165.12720	2.9
169.10077	2.4
171.11653	3.2
173.09595	4.9
173.13287	15.8
175.11194	4.5
175.14816	8.1
177.12796	3.5
185.13203	4.1
187.14801	3.2
191.14256	6.1
199.14839	5.6
201.12704	11.1
203.14342	4.8
205.15927	6.8
213.16446	2.8
215.14377	2.3
215.17966	5.3
217.15878	7.5
219.13846	3.0
239.17966	5.0
257.19070	17.6
275.20090	100.0
293.21127	75.3
337.76627	2.6
373.71567	2.2
413.21490	21.9
461.25253	2.9
488.65866	2.3
505.24500	2.2
541.12579	7.7
541.26001	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	541.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01865	0.6
55.05505	0.5
56.32919	0.4
57.03434	0.3
58.73488	0.3
65.03945	5.3
67.05521	2.4
69.03419	1.4
69.58910	2.0
69.59325	0.7
70.06594	2.5
71.04979	0.4
72.08141	0.9
72.36626	0.4
81.03423	0.5
82.04205	2.4
83.04967	1.5
84.04510	0.6
84.08131	1.6
85.02911	3.9
86.09723	1.7
87.14942	0.4
91.05479	0.5
92.81827	0.4
93.03423	1.0
93.07043	0.4
95.04955	1.3
97.02893	0.7
97.06525	1.3
98.21528	0.5
99.04472	2.6
108.02100	1.6
110.03682	3.0
110.07124	0.5
111.04444	1.1
120.08089	0.6
123.04492	0.5
125.06006	1.3
127.03922	1.5
129.10243	0.7
131.08548	0.7
138.03136	1.5
140.04683	2.5
142.02625	2.2
151.03920	0.8
153.05475	1.3
155.07094	1.0
155.22404	0.4
171.06544	3.1
174.06763	0.8
175.07306	0.6
179.07016	0.6
181.04964	100.0
182.05350	0.5
189.09122	1.2
190.09456	0.8
199.06021	1.5
201.09195	0.4
219.10182	4.7
220.10510	4.3
297.09903	0.7
325.09064	0.5
343.10281	10.9
343.14377	0.8
379.45126	0.4
503.05615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15579	0.2
53.03970	1.0
54.86027	0.3
55.01896	0.9
55.05522	0.4
56.05072	0.4
57.03471	0.3
57.33161	0.3
65.03942	5.8
67.05503	3.3
69.03455	1.1
69.07079	0.4
69.16045	0.3
69.48669	1.4
70.06587	3.2
72.08178	0.6
74.81239	0.3
79.05514	0.3
80.02676	0.3
81.03426	0.3
82.04206	2.5
84.04523	0.4
84.08160	1.4
85.02914	4.3
86.09731	1.0
91.05491	0.3
93.03434	1.2
95.05008	1.3
97.02937	0.8
97.06538	1.6
101.02395	0.4
108.02093	3.2
109.02885	0.3
110.03669	2.9
110.07178	0.4
111.04471	1.3
119.15305	0.3
121.02912	0.5
121.03977	0.4
123.00800	0.6
125.06023	1.7
129.10252	1.0
134.96240	0.3
136.01491	0.3
137.02359	0.4
138.03093	1.4
140.04707	0.3
141.05502	0.9
142.02643	2.7
151.03922	52.2
151.05028	4.8
153.05498	0.8
153.83296	0.3
160.05072	0.6
163.03871	0.5
171.06551	3.1
181.04964	100.0
182.05334	0.6
191.26778	0.3
192.07643	0.9
199.06102	0.4
219.10144	0.9
220.10472	0.9
254.10051	0.3
269.04819	0.3
297.06006	0.4
357.69617	0.3
373.07437	0.6
473.24329	0.3
541.14832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.6
57.07079	12.7
58.06569	1.1
67.05497	1.8
67.82655	0.3
69.07072	1.9
70.06595	11.0
71.08635	6.2
71.15692	0.7
72.08127	0.4
73.02895	1.1
81.07059	1.9
83.08633	1.7
84.08128	0.4
85.10184	3.2
88.07635	16.1
89.06025	0.7
93.06979	0.3
95.08619	2.3
97.10141	1.2
97.10738	0.3
102.09183	11.6
102.92598	0.3
103.78387	0.2
106.08656	1.0
109.10143	0.7
111.11691	0.3
133.08597	0.5
180.39537	0.3
201.01855	0.2
212.23859	0.4
230.24887	0.3
256.26364	36.8
269.44193	0.2
274.27429	3.5
283.26318	7.9
284.29495	7.9
302.30560	0.7
311.29449	36.0
312.29504	0.3
327.20389	0.6
540.53528	100.0
541.53644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87902	0.6
55.01867	0.7
55.05511	1.2
56.05033	1.3
57.03407	1.1
60.04539	0.7
61.02914	0.9
67.05502	1.3
69.03423	2.7
69.07059	1.2
70.06596	9.3
71.04987	0.9
71.07894	1.4
72.08157	3.5
74.06075	0.9
79.05484	0.8
79.86317	0.6
81.03423	1.1
81.07053	1.8
84.04487	2.0
84.08126	5.3
85.02907	7.3
86.09712	5.5
91.05489	7.1
93.07086	0.8
94.04195	0.8
95.04960	2.3
97.02878	1.9
99.08064	0.7
102.05550	0.9
103.05446	1.2
105.07034	1.4
107.04961	1.7
107.08624	0.8
109.02856	1.1
109.06532	1.2
110.07205	1.5
111.04500	0.7
115.07532	0.7
115.08730	1.2
117.07046	0.7
119.04947	7.2
120.08093	3.2
121.06491	1.6
121.10119	1.5
122.03625	1.6
123.08038	0.7
127.03886	1.8
127.07595	1.0
128.06245	1.1
129.07030	3.4
129.10231	2.4
130.04953	1.3
131.04901	1.4
131.08545	0.8
133.06514	0.9
135.08037	2.2
135.11681	1.1
136.05112	0.7
136.07587	1.4
137.05975	30.3
139.11165	3.1
143.04878	0.7
143.85715	0.6
145.04955	1.4
145.06500	1.0
147.04376	1.5
147.07634	0.6
149.05971	5.3
151.03929	1.2
151.07541	37.2
153.12668	0.8
157.06493	3.1
161.05923	4.5
161.09666	1.2
163.07532	9.7
163.11217	1.1
165.07007	1.6
165.09109	1.7
167.07291	0.7
167.08562	3.9
174.06804	1.9
175.07547	2.6
177.09091	3.5
178.07809	1.1
181.06429	0.7
181.12209	2.3
189.09102	12.8
193.06500	1.9
193.10156	2.0
195.08049	7.7
203.08530	0.8
207.10136	1.5
208.05383	0.7
209.09645	0.7
210.06598	0.7
212.08304	1.2
213.14847	10.9
221.05975	2.0
221.09674	4.5
222.06708	1.2
223.07591	4.3
224.08249	1.0
225.09137	2.7
227.10670	13.2
237.09103	1.0
238.06181	1.5
239.07240	0.7
239.10744	0.7
240.07846	1.4
241.12328	0.9
249.09082	2.2
253.08553	5.2
253.12259	5.7
255.10158	12.5
257.17459	1.4
265.08789	0.6
267.10226	1.4
269.08051	1.8
270.08862	1.2
272.10477	1.4
281.11734	2.7
285.11203	9.8
287.12769	20.2
299.12732	1.1
301.14417	0.9
311.12732	0.8
313.14362	17.9
323.85550	0.7
331.15390	100.0
343.15363	3.4
410.17865	0.9
540.21857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53340	0.2
52.67848	0.2
55.01860	0.3
55.52711	0.2
56.05029	0.3
57.03426	0.6
60.04515	0.5
61.02922	0.5
69.03438	1.1
69.62177	0.4
69.62589	0.9
70.06216	0.3
70.06590	3.1
71.06924	0.3
71.69147	0.2
72.08142	0.5
81.03407	0.9
84.04486	0.9
84.08145	2.1
85.02912	4.9
86.09692	0.7
88.03980	0.4
88.43847	0.2
91.05486	0.9
92.18308	0.2
95.81426	0.2
97.02370	0.2
97.02904	1.4
98.20759	0.4
101.74926	0.3
102.05556	0.3
103.05463	0.3
109.02885	0.4
115.05438	0.4
115.08739	0.2
116.06223	0.2
117.06989	0.3
119.56664	0.2
120.08083	0.3
127.03883	0.5
128.06216	0.8
129.07010	4.7
129.10243	0.5
130.07826	0.3
131.04919	1.1
131.08559	5.6
131.72995	0.2
136.07591	0.5
137.05995	1.5
137.64517	0.2
141.05978	0.4
141.06993	4.1
143.04822	0.2
143.08563	0.4
144.05643	0.6
145.04977	1.1
145.06458	0.4
151.07532	0.3
157.06487	4.8
158.07278	2.3
159.04477	0.3
159.06863	0.4
159.08064	5.4
160.05135	0.9
161.09633	0.6
162.07622	0.8
163.03935	0.7
163.07561	0.6
169.06493	3.1
170.07289	1.0
173.09554	0.4
174.06766	11.2
175.07552	2.5
177.09113	0.3
180.08636	1.1
181.04961	0.3
186.06764	3.0
187.07532	0.3
188.08295	0.7
189.09114	23.8
191.06976	0.3
191.10699	1.8
201.09108	8.4
207.10210	0.5
219.10161	100.0
220.10558	0.7
237.11194	1.6
274.35095	0.3
381.15399	0.4
421.73999	0.3
490.30460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.05032	1.8
57.03437	0.9
58.06594	0.6
60.05622	0.7
67.05514	1.2
68.05016	0.8
69.03423	1.8
69.07056	1.3
70.06596	14.4
71.51801	0.7
72.08165	4.1
74.06090	0.7
79.05497	0.7
79.57030	0.6
81.00538	0.6
81.03400	1.1
84.04499	3.0
84.08156	8.4
85.02912	5.6
86.09711	8.1
88.03960	0.7
89.23602	0.6
91.05482	4.0
93.39852	0.6
97.02881	1.9
98.06046	0.6
99.04473	1.0
100.11265	1.8
103.05455	1.2
104.07121	1.1
107.04972	1.0
109.02886	0.9
109.07648	0.7
109.10191	0.8
110.07127	1.4
115.05440	1.3
119.04980	0.9
120.08111	3.0
121.06543	0.8
122.03708	1.0
127.03928	1.7
128.06264	1.2
129.07008	6.3
129.10271	4.4
131.04903	1.5
131.08589	7.6
136.07591	2.8
137.05991	7.4
141.07005	5.4
144.05751	1.4
145.05020	1.2
145.06459	1.4
147.04359	0.8
149.06000	0.8
151.07550	6.5
157.06467	6.0
158.07281	2.4
159.04353	0.6
159.08090	6.2
160.05228	1.3
161.05939	0.8
163.03952	1.3
163.07547	2.1
166.08746	0.7
169.06480	2.8
170.07304	1.4
174.06772	13.9
175.07530	2.8
177.09163	0.9
181.04936	3.4
186.06757	3.1
187.07628	0.8
188.08304	0.9
189.09120	27.1
191.10616	1.8
195.08090	1.2
201.09102	8.9
207.10031	1.0
219.10181	100.0
227.10670	2.5
253.08559	0.9
253.12265	0.7
255.10191	1.9
281.11490	0.7
285.11276	1.3
287.12790	3.2
313.14407	3.6
317.05432	0.6
331.11511	0.9
331.15439	14.8
450.72745	0.7
513.99561	0.7
540.31592	1.1
540.41205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01873	1.5
55.05511	11.0
57.03432	2.1
57.07072	0.6
65.03941	1.4
67.05505	20.1
69.03432	0.6
69.07069	7.9
71.04992	1.2
71.43366	0.5
74.33338	0.5
79.05493	19.4
81.03431	1.2
81.07061	17.6
83.04977	1.8
83.08630	4.0
85.06565	1.6
91.05486	18.5
93.07051	15.4
95.04979	3.3
95.08611	11.3
97.06544	1.5
97.10182	2.5
99.08112	0.7
105.04503	0.8
105.07033	17.9
105.26570	0.6
107.04985	1.7
107.08591	7.0
109.06535	1.2
109.10169	3.8
111.08083	0.7
112.94884	0.6
115.05429	0.8
117.07021	7.7
119.08590	13.8
121.06508	0.9
121.10133	4.4
123.08085	1.6
123.11736	0.7
125.09641	1.0
126.57163	0.5
128.06244	2.4
129.07004	9.9
131.08572	11.2
131.09532	0.8
133.10149	6.9
135.11700	2.3
141.06996	5.3
142.07814	2.2
143.08562	11.7
145.10132	10.3
147.11691	6.8
149.09648	0.9
149.13301	1.4
153.07005	1.7
154.07796	1.6
155.08553	11.4
156.09378	1.3
157.10132	9.3
159.11682	6.2
161.09618	1.3
161.13304	2.0
163.11079	0.6
165.07043	1.4
166.07860	1.0
167.08556	5.2
168.09377	1.9
169.10141	12.4
170.11006	0.7
171.11690	10.8
173.09618	0.7
173.13281	2.8
175.14815	1.0
177.12689	0.8
178.07712	0.6
179.08591	2.0
180.09357	0.8
181.10130	8.5
182.10925	1.1
183.11699	11.0
185.13240	5.2
187.14848	1.2
187.66916	0.5
189.12764	1.2
192.09525	0.6
193.10161	3.2
194.11057	0.9
195.11691	9.1
197.13217	7.0
199.14847	4.1
201.16536	0.6
205.10112	1.2
207.11737	3.8
207.13861	2.0
209.13266	6.1
211.14835	4.0
213.16435	2.2
219.11763	1.6
220.12486	0.7
221.13248	3.4
223.11099	0.5
223.14818	3.5
225.16496	1.8
233.13341	0.7
235.14897	2.8
237.16389	3.1
238.17740	0.7
239.14388	0.7
239.17973	0.9
241.19577	1.9
246.59184	0.5
247.17108	0.6
248.15608	0.6
249.16490	1.3
251.17915	1.2
259.20654	2.7
261.16446	0.8
263.17987	0.9
266.23227	0.5
293.19055	0.6
293.22433	0.7
295.20734	1.2
297.18713	0.5
297.22147	0.6
303.20898	0.8
305.22623	0.8
307.20633	1.1
309.18619	0.6
309.22250	1.6
311.23700	0.5
313.21695	0.9
315.23553	2.4
315.26724	0.6
321.22192	2.0
323.23785	2.0
325.21576	0.7
335.23718	2.3
337.21692	0.7
337.25574	0.8
339.23325	0.9
341.24921	0.7
347.23984	0.8
349.25409	1.2
353.24948	1.1
359.23544	0.6
361.25269	0.7
365.25024	0.7
391.26083	0.8
419.33029	0.6
429.31567	4.3
437.33633	0.6
447.32635	17.5
465.33704	7.5
477.64676	0.5
483.34949	3.6
485.34152	1.3
503.35266	2.1
521.36322	9.7
521.43573	0.4
539.37372	100.0
540.37891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
51.53299	0.4
53.03954	2.7
53.07145	0.4
55.01863	1.3
55.05512	11.3
57.03446	3.6
57.07061	1.2
57.60172	0.5
59.04992	1.0
65.03944	1.1
67.05508	19.9
69.07074	8.2
69.37459	0.5
71.04985	1.9
71.08624	0.5
71.35501	0.5
73.75178	0.5
79.05495	19.4
81.03445	1.2
81.07060	18.3
83.00309	0.5
83.04977	2.7
83.08626	4.9
85.06548	1.4
91.05486	20.1
92.34179	0.5
93.07047	16.0
93.07640	0.8
95.04979	3.9
95.08613	11.5
97.06523	2.7
97.10183	2.7
98.20734	1.3
99.08124	0.9
103.05513	0.6
105.04520	0.9
105.07037	18.1
107.04983	0.8
107.08598	9.4
109.06517	1.3
109.10152	4.3
111.08114	1.1
115.05455	1.6
117.07020	7.4
119.08590	11.9
121.06493	0.8
121.10144	5.0
123.08095	1.6
123.11722	0.7
125.09641	1.6
128.06235	2.4
129.07007	9.5
129.07919	0.7
131.08569	11.4
133.10135	8.3
135.08089	1.2
135.11707	2.4
137.09621	0.6
141.07013	4.5
142.07780	2.1
143.08559	12.2
144.09341	0.6
145.06555	0.6
145.10139	10.4
147.08083	0.9
147.11703	6.5
149.13268	0.9
153.06985	1.7
154.07779	1.4
155.08553	11.6
156.09358	1.5
157.10138	10.5
159.11693	7.2
161.09641	1.1
161.13261	2.6
163.11162	0.7
165.07024	1.9
166.07826	1.4
167.08574	7.0
168.09351	1.8
169.10130	15.1
170.10922	0.6
171.11691	11.1
173.13248	3.1
175.14845	0.8
179.08598	2.4
180.09370	2.2
181.10110	10.6
181.11617	0.7
182.10934	1.9
183.11711	14.5
185.09602	0.6
185.13252	6.4
187.11226	0.8
187.14841	1.3
189.12784	0.8
191.08609	0.5
191.14355	0.5
192.09370	0.6
193.10139	4.0
194.10973	0.8
195.11688	11.0
196.12494	0.8
197.09589	0.7
197.11540	0.7
197.13271	8.0
199.14795	3.6
201.16492	0.6
205.10155	1.1
207.11711	3.5
207.13802	1.6
208.12498	1.1
209.13261	8.1
211.11229	0.6
211.14839	5.1
213.16437	2.1
217.04085	0.5
219.11711	1.4
221.13226	3.4
223.14830	4.6
225.16391	2.2
229.48386	0.6
231.11636	0.5
233.13315	1.5
235.14842	3.3
237.16383	2.7
239.18047	1.1
241.19583	1.8
245.87328	0.6
247.14806	1.0
247.17107	0.7
249.16420	1.5
251.18048	1.1
255.17464	0.8
257.18994	0.9
259.20630	2.8
263.18024	1.2
267.21332	0.6
269.18726	0.5
273.16104	0.5
275.17920	0.8
277.19498	1.1
279.20868	0.5
281.17590	1.4
283.20627	0.6
287.20206	0.8
293.19012	0.5
295.20654	1.4
297.18625	0.6
297.22202	0.6
299.20120	0.6
303.21036	0.7
305.22668	0.5
307.20575	0.9
309.22238	1.2
311.20352	0.7
313.21579	1.0
315.23230	2.6
321.22089	2.0
323.23761	1.8
325.21634	0.8
327.23108	0.7
333.21820	0.8
335.23593	2.7
337.21478	0.6
337.25269	1.0
339.23145	1.1
341.24774	0.6
347.23413	0.8
349.21515	0.6
349.25381	1.4
351.23099	1.4
353.24615	1.2
363.26782	0.8
365.24857	0.9
367.26358	0.9
377.24734	0.9
379.26266	1.2
419.33215	1.3
427.28427	0.6
429.31512	4.9
430.09509	0.6
447.32596	17.0
465.33795	7.7
483.34702	3.6
485.34387	1.1
495.34891	0.6
503.35245	2.3
521.36304	12.9
539.37347	100.0
540.37830	1.0
562.98901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.3
55.96234	0.2
62.69778	0.3
63.68132	0.3
65.03917	0.3
66.04723	0.7
67.05504	0.4
68.90385	0.3
69.07088	0.3
70.05480	0.8
70.06584	0.9
78.91013	0.2
79.05486	1.1
81.07047	1.2
84.08137	0.7
85.02891	0.4
86.09714	0.7
90.46936	0.3
91.05482	2.1
93.07019	0.4
94.04179	2.9
97.02881	0.3
100.11287	0.6
103.05470	0.3
105.07017	0.5
107.04959	0.7
107.08567	0.3
109.06522	1.2
119.04935	0.9
119.08563	0.4
120.08083	0.3
121.06547	0.3
121.10206	0.3
122.02772	0.3
122.03648	6.5
127.03863	0.3
129.10266	0.3
131.04939	0.8
135.11647	0.3
136.07587	1.0
137.05980	100.0
138.06337	0.3
141.06923	0.2
143.08571	0.4
145.06410	0.3
145.10156	0.3
149.05951	0.7
151.07545	2.6
153.05504	0.4
157.06407	0.3
159.08060	0.3
161.05904	0.4
163.07539	1.3
163.11162	0.3
171.08029	0.6
175.07564	1.3
177.05518	0.3
179.07011	0.7
181.05078	0.3
181.06502	1.1
183.08044	0.4
185.09665	0.3
187.07542	0.8
189.09129	0.5
195.08015	0.4
198.06761	0.4
199.07544	0.8
201.09077	0.7
207.38664	0.3
210.14871	0.4
211.07530	0.6
213.09091	2.7
215.10693	0.5
219.10083	0.3
225.09108	0.4
229.10252	0.3
231.08076	0.5
243.07977	0.4
243.10194	0.5
245.09604	0.3
246.10416	0.3
247.07475	0.4
247.09706	0.3
248.08252	0.4
249.09004	0.4
257.09555	0.9
259.07388	0.3
259.09723	2.7
261.11230	1.5
265.08594	0.4
271.07471	0.3
274.09839	0.7
275.10736	0.4
276.07693	0.3
277.08533	0.9
277.11145	0.3
278.09183	0.4
279.10147	0.3
283.09650	0.7
285.09073	0.9
286.09692	0.3
287.07053	0.5
287.10394	0.4
289.12286	0.7
291.10129	1.3
292.07449	0.3
292.10764	0.3
293.08173	0.3
297.11292	0.6
301.08545	0.8
301.12061	0.4
302.09372	0.8
303.10129	0.7
305.11688	0.5
307.09604	1.1
307.12964	0.4
308.10461	0.5
309.11194	0.6
315.09842	0.3
317.11694	2.4
318.12485	0.4
321.11172	1.1
322.12009	0.4
323.12640	0.8
329.11682	1.1
331.09521	0.3
333.11267	0.6
335.12775	1.7
337.14453	0.3
341.13913	0.7
347.12732	1.1
348.13361	0.3
349.14337	1.9
351.11969	0.4
353.13824	1.0
355.15463	1.9
361.14328	0.8
365.13882	0.7
366.14203	0.7
367.15417	12.0
369.16776	0.5
379.15445	2.2
385.16373	0.8
397.16498	2.8
471.17914	0.3
473.19284	0.8
485.19611	1.2
491.20712	2.2
503.20599	3.2
521.21710	2.8
531.49176	0.3
539.38074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25331	0.7
51.41838	0.6
53.03937	0.7
55.05532	0.9
56.05040	0.8
69.03419	0.7
69.07074	0.8
70.06588	2.8
71.52808	0.9
72.08189	0.7
79.05502	1.2
81.07062	1.4
84.04494	0.8
84.08145	1.9
85.02879	1.6
86.09719	5.7
91.05482	2.1
93.07076	0.8
94.04188	3.6
97.02892	0.7
107.04958	0.9
107.08593	1.0
109.06504	1.0
109.10134	0.8
110.07158	0.9
119.04942	1.2
119.08631	0.7
120.08118	3.1
121.10177	0.7
122.03650	6.9
123.04436	1.3
127.03928	0.8
129.10251	1.0
133.97406	0.7
134.17592	0.7
137.05989	100.0
143.08519	0.9
149.06078	0.9
151.03964	0.6
151.07571	3.2
161.06052	1.0
163.07642	1.0
175.07721	1.4
177.09235	0.7
181.06508	0.9
187.11241	0.8
189.09105	0.9
189.28584	0.6
199.18304	0.6
201.09181	1.2
213.09177	3.6
219.10075	0.8
224.94586	0.7
225.09146	0.9
233.16646	0.8
239.08620	0.6
247.07478	0.6
247.31839	0.6
256.08975	0.6
257.09479	0.7
259.09766	1.8
261.11365	1.0
261.16074	0.7
269.09766	0.7
276.07764	0.8
279.16959	0.8
283.09991	0.7
285.09018	0.9
289.12234	0.9
297.11356	0.7
302.09384	1.3
303.10007	1.0
307.09506	0.7
314.09424	0.8
317.11667	2.2
319.13263	0.8
320.10455	0.7
321.11380	0.6
323.12714	0.9
329.11835	0.7
333.11172	1.2
335.12759	1.5
347.12781	1.1
349.14432	1.8
353.13797	1.2
355.15436	1.8
361.14255	1.0
365.13693	0.6
367.15469	13.7
379.15414	2.2
389.07629	0.7
397.16556	3.5
485.19470	1.0
491.20581	2.9
503.20560	2.4
521.21356	2.5
523.64465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40984	0.3
64.18084	0.3
69.72567	0.8
69.72980	0.9
70.23580	0.3
70.42371	0.3
70.80017	0.3
79.05495	0.7
89.32316	0.3
91.05499	0.6
93.07034	1.2
95.04998	0.4
103.05469	6.8
107.04958	1.6
120.08111	100.0
121.08472	0.5
131.04904	2.5
149.06004	1.7
163.03954	1.8
166.08649	52.2
178.11987	0.3
363.18552	0.3
557.76837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3418
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
53.03941	3.4
55.01630	1.3
55.01876	9.2
55.05516	27.0
57.03428	8.4
57.07056	1.9
59.04984	1.8
60.08170	7.4
61.02913	1.5
65.03931	4.2
67.05506	85.5
69.03407	4.3
69.07080	11.9
70.06593	2.6
71.04983	6.3
71.07356	2.8
73.02937	2.1
73.26840	1.3
79.05489	24.0
81.03425	8.0
81.06600	2.9
81.07056	51.1
83.04973	10.3
83.08618	12.8
85.02892	6.0
85.06538	2.6
86.09711	30.1
87.10031	7.5
91.05474	18.9
93.07043	23.0
95.04978	15.6
95.08599	15.9
97.02892	3.7
97.06523	5.4
97.10183	15.5
98.21574	2.3
98.98444	4.0
99.04432	3.3
99.08090	2.4
104.10731	4.7
105.07019	12.5
107.04925	4.5
107.08611	17.7
109.06507	5.3
109.10159	47.7
111.04456	8.9
111.08092	7.9
113.06050	1.3
114.97770	1.5
117.07027	7.2
119.08582	18.9
121.06530	6.5
121.10121	8.4
123.04427	2.3
123.08068	15.4
125.00007	24.9
125.09651	14.4
126.00359	2.7
127.03883	2.1
128.06116	1.4
129.05588	1.3
129.06979	3.7
131.08578	8.2
131.99974	1.3
133.06505	2.3
133.10097	5.4
135.08037	5.0
135.11725	7.3
137.09613	6.6
143.08557	3.6
145.10139	8.2
147.08066	4.0
147.11693	4.7
149.09622	5.1
153.12717	5.0
155.10634	2.5
157.10132	3.1
159.08032	1.7
159.11682	4.6
161.09677	2.6
161.13214	1.9
163.11176	13.3
165.09062	3.3
173.09590	2.1
173.11769	10.9
175.11168	3.8
177.12764	1.4
179.10619	2.1
181.12231	6.4
182.85001	1.6
184.07347	100.0
185.07707	18.4
185.13222	1.5
189.11224	15.5
191.10683	3.8
193.12244	4.9
223.13206	4.5
227.12767	21.2
227.17967	1.6
229.14349	34.1
245.18915	1.4
249.14833	2.1
255.17389	2.1
263.20160	1.7
266.99969	1.5
273.18494	15.2
275.20081	4.1
277.17926	3.0
283.15341	2.6
291.19559	42.3
293.21008	2.1
296.25134	1.5
309.20618	3.8
347.22293	3.1
365.23267	14.7
367.17792	2.2
374.66031	2.1
399.23785	2.8
409.27325	2.3
427.28149	4.9
445.29797	6.7
501.32135	11.2
519.33105	52.7
537.27155	1.6
537.34430	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	537.3428
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
52.01757	1.1
53.03933	3.9
55.01874	10.6
55.05514	32.3
56.96545	1.4
57.03439	10.5
57.07070	2.4
59.04983	4.6
61.02916	2.0
65.03937	3.2
67.05507	100.0
69.03418	6.2
69.07073	16.0
69.22658	1.1
70.06593	1.3
71.05000	7.2
71.52326	1.6
73.02918	1.3
76.10700	1.0
79.05494	37.0
79.23946	1.1
81.03425	12.7
81.07060	61.5
83.04988	12.3
83.08618	19.5
85.02917	6.2
85.06527	4.1
86.09704	1.6
91.03965	1.2
91.05488	26.5
93.06487	1.7
93.07045	28.2
95.04974	18.1
95.08613	21.1
97.02883	3.1
97.06535	9.9
97.10171	21.4
99.04464	3.1
99.08093	2.4
104.10718	2.3
105.07034	20.6
107.04956	7.5
107.08594	21.6
109.06525	10.0
109.10159	58.0
111.04435	13.7
111.08083	9.0
113.06026	2.0
117.07044	9.1
119.07804	2.0
119.08585	19.4
121.06535	7.3
121.10154	10.4
123.08081	18.1
123.11682	1.2
125.05953	1.1
125.09641	23.6
129.06998	4.6
131.08582	9.6
133.06500	3.3
133.10141	10.6
135.08055	7.9
135.11717	8.9
137.09608	8.2
139.11182	1.4
141.07011	1.4
142.07727	1.2
143.08556	5.5
145.10155	10.6
147.03175	1.2
147.08052	5.6
147.11694	5.5
149.09648	6.6
149.13289	1.6
150.27901	1.1
151.07529	1.2
151.11214	1.6
153.09105	3.3
153.12726	6.1
155.08533	2.5
155.10664	4.4
156.09334	1.4
157.10136	3.7
159.11693	4.1
161.09593	3.2
161.13234	1.8
163.11176	18.5
165.09111	3.9
167.22838	1.1
169.10077	2.0
171.10291	1.2
171.11684	2.6
173.09583	2.4
173.10342	1.2
173.11723	12.9
173.13188	2.5
175.11221	4.2
177.12691	1.9
179.10645	1.5
181.10072	1.4
181.12265	5.2
183.11711	1.6
184.07330	1.8
185.09534	2.2
185.13287	2.6
187.11214	1.2
189.11230	17.2
189.12738	1.6
191.10670	4.8
193.12248	6.7
195.11658	1.6
198.89598	1.1
199.14825	1.3
203.14326	1.9
209.13464	1.1
211.13316	3.4
213.12817	1.4
215.16411	1.6
223.13310	5.2
227.12778	26.2
229.14357	52.9
231.13812	1.6
235.16907	2.4
245.13875	2.3
245.19037	1.8
247.20502	1.4
249.14824	3.2
251.09639	1.4
255.17374	1.6
257.18988	1.8
269.10458	2.4
273.18481	17.7
275.20212	8.1
277.17978	3.1
283.15347	3.2
291.19543	57.8
293.21109	3.7
309.20529	3.5
317.53192	1.1
323.18512	2.2
347.22156	2.9
349.16751	1.2
349.23489	1.2
351.21744	1.7
365.23288	17.8
399.23694	3.3
409.27304	3.0
427.28534	7.3
445.29590	7.6
455.26840	1.2
461.58273	1.3
463.30518	1.7
483.31110	1.9
501.32095	15.8
519.33209	53.5
537.34460	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	536.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66540	0.3
55.05521	1.9
56.05031	1.4
57.03432	0.3
57.07077	1.0
58.06612	1.3
59.07385	0.5
60.08167	17.3
62.87859	0.3
67.05499	1.1
69.07073	2.8
71.07379	7.2
72.71313	0.4
73.04788	0.4
77.76344	0.4
79.05486	0.5
81.07070	1.7
83.08620	1.3
85.06506	0.3
86.09711	51.9
88.68464	0.3
93.07063	0.9
95.08627	1.3
95.33366	0.4
95.65533	0.3
97.10159	0.8
98.98463	3.8
104.10749	98.2
109.10149	0.4
121.10153	0.4
125.00011	27.3
135.11710	0.5
163.01582	0.6
183.62556	0.4
184.07352	100.0
185.07716	0.4
198.60353	0.4
210.44890	0.4
258.11075	0.8
353.30493	1.1
418.76740	0.4
445.31403	0.4
459.28613	0.4
518.36066	8.1
536.37164	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	537.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01855	1.3
55.05508	1.8
65.03930	2.3
67.05499	2.3
69.03438	1.5
70.06598	13.4
71.52116	1.9
71.52467	1.3
72.08142	2.9
79.02139	1.2
79.05492	2.7
81.03381	1.8
81.07055	4.3
84.04507	2.5
84.08134	8.4
85.02898	3.9
85.79681	1.2
86.09691	6.1
91.05478	8.2
93.07049	2.5
94.04166	2.0
95.04951	1.7
95.08604	3.1
97.02894	1.8
103.05450	3.6
105.07033	3.5
107.04945	3.0
108.21705	1.3
109.02900	1.9
109.06527	3.3
109.10187	1.9
110.07164	2.6
111.04444	1.5
115.05472	2.3
117.06970	1.7
119.04940	4.0
120.08117	3.1
121.06508	13.9
122.03662	6.4
122.06847	3.8
125.05965	1.6
127.03888	3.1
129.07007	1.8
129.10237	4.7
131.04900	3.8
131.08588	1.6
133.06508	2.8
133.10110	1.9
136.07584	2.8
137.05984	100.0
147.04367	2.8
149.05981	2.7
150.09125	2.9
151.03906	5.8
151.07562	10.3
153.05463	2.2
157.06461	2.0
160.05272	1.7
161.05975	3.8
163.07587	1.6
175.07594	4.2
177.05447	1.8
179.06981	1.6
181.04935	11.6
181.06409	2.2
187.07515	6.1
191.06963	2.4
199.07457	2.5
203.08589	1.4
211.07520	2.5
211.42183	1.4
213.09148	2.0
219.08119	1.4
225.09280	1.3
228.65805	1.3
235.07622	1.6
241.08592	1.7
243.08057	1.6
249.09015	2.2
259.09650	5.8
261.09116	2.5
265.08566	2.4
266.94104	1.6
273.09015	2.4
277.08606	2.7
285.09106	1.5
287.10641	2.7
290.09274	1.9
291.09842	2.4
293.12158	1.8
297.11179	1.7
299.10443	1.9
303.10175	3.4
304.10727	2.2
307.09705	2.5
309.11194	3.0
315.10052	3.3
317.08206	1.4
318.08984	1.8
319.09717	2.0
320.10498	1.6
321.11227	3.5
327.10480	2.0
332.10379	3.2
333.11145	4.3
335.12744	5.9
344.10406	1.7
345.11032	1.8
347.12878	13.8
359.12930	6.5
365.13736	4.3
377.13638	4.2
418.13931	2.4
419.12689	1.7
431.15222	1.4
439.15866	3.0
440.31201	2.7
451.15250	4.3
455.14957	1.8
471.17996	5.2
483.18375	10.3
489.18958	4.6
501.19147	18.4
519.20203	24.4
537.19177	2.3
537.27112	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	536.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99756	0.3
52.12428	0.3
53.03950	0.7
55.01857	0.5
56.05012	0.9
60.04525	0.4
61.51027	0.3
65.03937	1.8
67.05500	1.1
67.05846	0.3
68.05029	0.3
68.81547	0.3
69.03414	1.3
70.06597	6.0
71.06918	0.3
71.52013	0.5
72.08171	2.1
74.06081	0.5
82.04200	0.6
82.90305	0.3
84.04495	1.3
84.08154	4.1
85.02908	2.7
86.06083	0.5
86.09721	1.5
87.05558	0.4
88.03992	0.5
93.03394	0.6
95.01382	0.6
95.04955	0.5
96.08102	0.3
97.02901	0.7
97.06511	0.4
102.05520	0.6
108.67216	0.3
109.42570	0.3
110.03661	1.0
110.07180	0.7
111.04431	0.4
112.07590	0.5
112.39156	0.3
114.03063	0.3
119.04966	0.6
120.08103	1.0
125.06002	0.6
129.10243	2.0
130.08659	0.5
136.07556	0.7
138.03114	0.6
140.04669	1.3
140.07027	0.5
141.01825	0.9
141.56094	0.3
142.02606	1.4
145.04901	0.4
147.04405	1.3
148.59161	0.3
153.05452	1.2
155.07074	0.6
163.03925	1.4
171.06569	1.5
181.04964	100.0
182.05286	0.4
199.05998	2.6
287.05463	1.0
288.05887	1.1
299.06116	0.7
339.07089	1.1
347.23071	0.3
357.08157	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
56.05016	1.0
56.96567	0.7
57.03426	0.9
58.06607	1.3
60.08165	15.9
61.50624	0.4
67.05500	4.3
69.03437	0.4
69.07067	1.1
69.34297	0.3
69.93469	1.8
70.06592	1.0
71.07375	6.6
79.05489	2.3
81.07060	3.4
83.04966	0.4
83.08628	0.5
84.08100	0.6
84.11889	0.4
85.02888	1.2
86.09707	53.5
87.10042	0.5
91.03946	0.4
91.05496	1.2
93.07049	2.8
94.00124	0.4
95.08604	1.6
97.06579	0.4
98.20856	0.7
98.98453	3.6
104.10743	86.9
105.07032	1.1
107.08598	0.9
109.02864	0.4
109.10149	1.2
114.07433	0.4
117.07021	0.4
119.08546	0.4
121.10162	0.5
123.04448	0.4
125.00006	30.2
131.08609	0.6
133.10123	0.6
145.10161	0.5
163.01486	0.5
167.05544	0.7
184.07341	100.0
185.07738	1.3
186.07776	1.2
255.09084	0.7
258.11154	1.2
299.06137	0.7
337.41031	0.4
365.16318	1.2
373.14951	0.8
396.25085	0.4
500.31400	8.0
511.61887	0.4
518.32434	51.3
519.32550	0.9
530.66144	0.5
536.33209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.276
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
53.03927	3.1
55.05513	7.3
56.05030	7.8
67.05502	9.7
69.03432	5.9
69.07073	10.7
69.18140	24.9
70.06602	67.0
72.08171	15.9
79.05508	4.4
81.07061	13.4
83.04971	4.2
84.04510	15.7
84.08149	46.3
85.02915	7.4
85.06559	4.4
86.09718	26.9
87.05583	3.1
87.10057	3.6
91.05482	7.2
91.17921	2.6
93.07051	7.3
95.08615	20.6
97.02892	3.1
102.05533	2.8
103.05468	4.1
105.07082	8.4
107.08615	16.2
109.06537	7.8
109.10167	63.7
109.92149	3.0
110.07181	14.3
119.04940	2.8
119.08597	28.9
119.28032	2.6
120.08132	17.8
121.10126	7.8
122.63409	2.6
123.08117	6.8
123.11726	7.4
127.03954	3.2
129.10251	15.7
130.08644	3.3
132.10243	3.6
133.10165	14.4
135.11713	65.5
136.07611	9.1
137.05978	6.3
137.09644	11.6
145.02910	4.3
147.04442	4.9
147.73656	3.2
149.13287	4.2
151.11234	4.2
151.14847	4.7
151.96574	3.1
153.12711	2.8
161.05998	3.1
163.03871	2.9
175.14856	30.3
177.05370	2.5
181.04913	3.4
193.15913	54.8
211.16960	100.0
265.01331	3.3
287.05536	10.3
297.07523	4.4
325.07083	21.0
535.10858	5.6
535.21484	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	535.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	11.8
55.05505	1.7
61.02928	2.5
65.03925	1.9
67.68449	1.4
69.03447	2.2
69.80282	8.2
70.06596	35.9
71.06956	1.8
72.08154	7.1
74.06057	1.7
81.03425	1.8
84.04509	8.8
84.08149	20.8
85.02888	2.3
86.09712	13.6
91.05492	3.5
95.04996	1.8
97.02896	2.2
98.21490	3.1
102.05548	2.6
103.05457	2.2
107.04958	2.6
110.07184	3.9
119.04933	7.4
120.08141	8.8
120.08856	1.6
121.02872	38.7
121.06489	1.6
123.47890	1.5
127.03950	1.8
129.10254	9.8
135.04431	2.0
136.07603	4.1
137.05949	2.7
145.02821	4.4
147.04468	2.9
163.03778	2.0
177.01846	4.4
179.03430	1.6
181.04970	4.7
185.05884	1.6
187.03851	4.0
189.01846	8.1
191.03395	3.3
195.02925	4.6
197.50334	1.7
199.03918	2.4
201.05437	1.7
203.03378	14.6
205.04932	3.7
207.02872	5.6
215.03351	8.6
217.04990	3.3
219.02907	3.2
221.04498	4.3
227.03616	2.1
231.02930	2.7
233.04472	2.9
241.04880	2.9
243.02927	3.9
245.04524	3.5
247.05974	1.5
255.02843	2.8
257.04559	3.2
267.06735	2.0
269.04477	2.4
279.06503	4.8
281.08154	2.6
282.05020	1.8
283.05988	4.8
287.05582	4.5
291.06662	1.7
292.07315	2.4
293.08087	4.9
294.05148	13.5
295.06024	57.4
296.06833	4.6
297.07547	6.9
305.08182	3.8
307.06030	45.9
307.09412	2.5
308.06741	13.4
309.03998	3.3
309.07550	19.8
313.07370	2.6
317.08075	4.8
319.05945	4.9
319.09390	2.0
320.06744	9.3
321.03867	3.0
321.07599	48.8
322.05042	1.9
322.08240	7.7
323.05713	2.3
323.09140	6.3
325.03491	3.0
325.07114	42.3
329.07986	5.9
331.06036	2.1
333.07547	29.0
334.08533	4.7
335.09137	17.2
336.06464	3.8
337.07040	34.5
339.08636	4.2
345.07523	16.2
346.08371	2.1
347.05435	1.8
347.09195	7.6
349.07104	43.5
349.11353	2.3
350.07980	2.1
351.08688	20.4
355.08057	5.3
359.09070	4.0
361.07056	26.2
361.11169	3.4
362.07629	2.9
363.08603	25.2
367.08231	10.1
371.08990	2.8
373.06946	17.1
375.08725	15.0
377.06372	2.3
379.08163	56.4
380.08389	2.0
385.09189	2.0
387.08856	8.2
389.10104	3.8
391.08124	46.5
393.09625	2.9
397.09265	36.6
399.08673	5.0
403.08105	16.0
405.09674	8.7
409.09222	46.7
415.07907	15.3
417.09717	8.7
421.09097	6.4
427.10342	33.0
433.09222	28.2
439.10440	2.5
442.52008	1.6
445.10251	20.4
451.10291	32.5
463.10251	21.5
469.11331	65.4
481.11340	100.0
499.12369	91.0
517.13434	37.3
535.14288	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	535.1089
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.09825	0.2
53.03949	1.5
55.01876	1.7
55.05502	0.5
56.05025	0.7
57.03426	1.0
59.04986	0.3
60.04514	0.4
61.02916	1.0
67.05489	0.6
68.99780	1.1
69.03432	6.8
69.07058	0.4
70.02953	0.3
70.06599	10.0
70.27267	0.2
70.98630	0.3
71.04978	0.9
71.06930	0.4
71.24886	0.4
72.08150	1.7
73.02927	1.7
73.08470	0.3
74.06093	0.3
76.94354	0.2
79.05464	0.4
81.03426	6.8
81.07061	0.6
83.01312	0.3
83.06096	0.3
84.04507	1.6
84.08147	5.8
85.02911	10.8
85.06535	0.3
85.08473	0.3
86.06052	0.5
86.09705	4.7
87.00830	5.1
88.03979	0.6
91.03926	0.4
91.05479	0.8
93.07057	0.4
95.08614	0.5
97.02895	3.8
98.06055	0.3
99.04469	2.4
102.05560	0.6
103.05450	0.5
105.01864	3.0
105.03336	0.4
107.04948	0.4
109.02886	6.4
109.10138	0.5
110.07181	1.5
111.00816	0.7
112.08706	0.4
115.08701	0.4
117.01882	0.7
119.04904	0.4
120.08084	1.4
121.02860	2.2
121.06514	0.3
121.10104	0.4
127.03929	8.9
129.01830	0.5
129.10268	2.4
131.04953	0.3
133.10147	0.5
135.04408	0.3
135.11714	0.3
136.07614	1.5
137.02339	0.5
137.05991	0.8
137.09613	0.5
139.08665	0.3
145.04962	2.9
145.06119	0.4
145.06480	0.3
147.02875	0.5
147.04398	0.8
153.01819	3.5
157.06505	0.3
159.02895	3.8
161.05928	0.4
165.01837	1.7
171.11292	0.4
177.03999	0.3
181.04797	0.3
183.02913	0.7
183.14850	0.3
185.05972	0.4
213.05528	0.6
218.64940	0.3
231.04948	1.0
241.05020	0.7
258.05273	1.0
259.06097	0.4
269.04425	0.4
287.05515	100.0
288.05811	0.8
325.07147	0.3
426.94418	0.3
535.21332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.05519	23.7
57.03427	6.0
57.07072	13.5
57.81344	2.0
60.08152	7.0
61.02911	6.0
65.03955	2.1
65.12608	1.6
67.05510	74.3
69.07071	26.4
69.73657	4.6
69.74053	4.4
70.89908	1.7
71.07360	2.7
71.08626	5.3
73.02895	2.4
78.59401	1.7
79.05494	19.1
79.23916	2.0
81.07062	89.7
83.08624	18.4
85.02914	5.6
85.06532	2.3
85.10183	2.5
86.09714	20.4
89.06036	2.4
91.03942	2.3
91.05487	17.2
93.07045	26.0
95.08614	75.2
97.02876	2.4
97.06524	7.5
97.10186	11.6
99.08085	4.2
104.10754	37.8
105.07027	11.8
107.08601	17.7
109.09476	3.4
109.10164	42.2
111.08061	5.6
111.11707	5.0
113.09653	3.3
119.08581	10.4
121.10148	24.3
123.11710	19.9
124.99992	10.6
125.09589	2.7
125.13320	2.1
127.11211	2.7
133.10133	18.9
135.11697	10.6
137.13251	8.9
139.11172	2.1
141.12741	4.0
147.11697	12.9
149.13249	10.5
151.14833	7.2
155.14296	4.9
159.81055	1.8
161.13246	14.7
163.14844	12.3
163.99899	1.8
165.16377	9.2
175.14854	10.2
177.16409	2.2
179.17970	9.8
180.51999	1.7
184.07358	32.0
189.16386	3.9
245.22678	65.3
262.45477	1.9
263.23718	100.0
337.27396	68.5
355.28394	8.1
410.75732	2.1
440.60818	1.9
475.22034	4.0
499.32556	3.5
516.34332	2.7
534.35767	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	535.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18899	0.5
55.71112	0.4
63.02380	0.7
71.12201	0.4
71.23679	1.0
79.05480	1.4
85.02914	1.3
89.03413	0.8
89.03921	10.3
97.03977	0.5
107.04966	2.3
112.56264	0.4
117.02634	0.9
117.03389	11.5
119.88396	0.4
120.08112	2.4
121.08443	0.7
129.01855	0.5
135.04420	21.2
137.02359	2.4
145.02861	12.7
145.03989	0.8
147.04422	1.9
161.06001	0.7
163.03914	100.0
164.04175	0.8
166.08638	1.1
167.08841	0.5
181.04980	0.7
185.01611	0.5
187.03902	0.4
191.03409	1.9
218.03560	0.5
233.04527	0.7
235.04504	1.1
237.05609	1.1
251.06871	0.7
255.06653	3.7
265.05002	1.6
279.06332	0.5
283.05975	5.3
297.07352	0.8
301.07086	2.1
325.06958	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	534.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49550	0.2
55.01874	0.3
55.05510	0.7
56.05046	1.3
57.03436	0.3
58.06589	1.6
60.08170	18.1
63.11069	0.3
64.41292	0.2
65.03908	0.2
67.05512	1.7
69.07068	1.1
69.24078	0.8
69.24493	1.4
70.06601	1.7
71.06982	0.4
71.07381	6.2
72.08151	0.4
79.05502	1.8
80.78322	0.2
81.07071	1.3
84.08166	1.1
86.09713	51.6
91.05488	1.9
93.07045	1.9
95.04966	0.3
95.08601	1.0
98.20821	0.6
98.98470	4.0
104.10752	100.0
105.07027	1.7
107.08599	0.8
109.10172	0.3
110.07199	0.3
112.57835	0.3
117.07010	0.5
119.08593	1.1
121.10149	0.5
125.00016	28.3
129.10306	0.3
131.08583	0.6
133.10187	0.7
143.01117	0.3
145.10101	0.3
147.11728	0.3
159.11710	0.3
163.01607	0.5
184.07355	94.5
185.07791	0.3
186.07739	0.3
203.56018	0.2
258.11060	0.8
359.85529	0.2
498.29822	6.9
516.30902	44.3
517.31354	0.5
534.31903	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05269	0.3
55.01852	0.4
55.05512	2.6
56.05024	1.5
57.03442	0.4
58.06607	1.4
58.13345	0.3
60.08167	17.6
67.05512	2.3
67.55121	0.3
69.07055	0.9
70.06591	0.9
70.51173	0.3
71.07378	7.0
71.52574	0.7
79.05498	1.2
81.07068	2.2
83.08630	2.2
84.08120	0.6
86.09709	51.6
89.76046	0.3
91.05479	1.0
93.07054	1.0
93.41400	0.3
95.04936	0.5
95.08603	1.0
98.98476	4.1
100.26089	0.3
104.10748	92.5
105.07036	1.0
107.08614	0.8
109.06525	0.5
109.10136	0.7
113.91637	0.3
119.08576	0.7
121.10117	0.7
123.68540	0.3
125.00009	29.9
147.11766	0.4
163.01476	0.4
184.07349	100.0
242.19695	0.5
258.11108	0.8
277.68784	0.4
287.16519	0.4
351.25156	0.5
373.06219	0.5
516.30835	6.5
534.31927	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
56.05040	2.0
57.03439	0.4
57.73762	0.4
58.06607	1.3
60.08166	17.9
67.05495	2.2
69.03426	0.5
69.07056	0.6
70.06588	2.4
71.06992	0.5
71.07379	6.3
71.08630	1.2
71.52225	0.6
73.07135	0.4
79.05496	1.4
81.03413	0.4
81.07040	1.9
83.04952	0.5
83.08606	0.7
84.08122	1.2
86.09708	51.1
91.05486	1.4
93.07053	1.7
95.04990	0.6
95.08609	1.1
98.98464	3.4
99.08093	0.7
104.10747	100.0
105.07015	0.7
107.04976	0.4
107.08595	1.2
109.06510	0.4
109.10143	1.5
119.08563	1.1
121.06455	0.4
121.10142	0.9
123.11708	0.4
125.00007	27.1
131.08528	0.4
133.10144	0.4
135.11673	0.7
149.02333	1.0
149.13257	0.5
151.11227	0.6
159.11716	0.4
161.13297	0.7
162.05440	0.4
163.01569	0.7
171.11673	0.5
172.20111	0.4
178.51030	0.4
179.14294	1.0
184.07344	87.7
202.12256	0.4
203.75407	0.4
237.83304	0.4
242.97861	0.4
244.56340	0.4
258.11166	0.6
289.52292	0.4
351.25476	0.7
358.66699	0.5
429.11554	0.4
439.34259	0.4
516.30774	5.9
517.17108	0.6
534.31927	47.3
539.01703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98923	0.1
55.05510	0.2
56.05034	0.7
58.06366	0.3
58.06635	0.5
59.07395	0.2
60.08166	6.5
63.58266	0.1
67.05507	0.4
67.70261	0.1
69.86842	0.4
69.87243	0.3
70.06606	0.4
71.07378	3.0
79.05488	0.5
81.07056	0.2
84.08119	0.2
86.09710	28.3
89.02292	0.1
91.05483	0.3
93.07041	0.4
95.08611	0.2
98.21402	0.2
98.98468	2.8
104.10747	3.7
105.07033	0.3
107.08591	0.2
121.10107	0.1
125.00012	20.1
133.10114	0.1
144.91106	0.2
184.07346	100.0
293.91254	0.1
397.23016	0.2
498.29889	0.8
516.30859	6.2
534.32050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
57.07083	1.2
67.05499	2.1
69.03425	4.8
69.07072	2.5
69.22316	2.1
69.22713	10.0
70.02933	1.5
70.06597	15.9
72.08161	8.5
72.55656	1.3
74.06087	1.7
79.05477	2.9
81.07040	4.4
84.04495	4.1
84.08144	10.9
85.02909	3.7
86.09691	7.7
90.54795	1.2
91.05486	5.2
95.04995	1.4
101.07146	1.6
103.82818	1.0
105.07035	4.7
107.04932	1.1
107.08580	13.6
109.06523	5.3
109.10154	3.7
110.07197	1.4
110.09575	1.2
115.05495	1.4
117.06998	1.6
119.08547	2.1
120.08105	4.5
121.10153	8.9
122.07294	2.5
123.08072	1.6
127.08691	2.5
129.10228	5.8
132.08121	1.5
133.10138	100.0
135.08067	11.0
136.07600	2.1
137.09625	55.9
138.44038	0.9
143.08557	1.5
147.11671	2.6
149.13264	12.3
153.21204	1.0
158.10913	1.6
159.09210	3.4
160.09515	1.5
163.14825	2.2
173.13272	5.2
191.14316	48.8
209.15366	28.3
381.20432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.384
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03936	3.9
55.01865	4.0
55.05518	38.0
57.03423	14.7
57.07065	7.5
60.00363	3.9
61.02510	3.2
65.03936	4.9
67.05510	90.3
69.07069	21.5
70.10984	15.0
71.01329	4.1
71.04991	5.2
77.12633	3.0
79.05074	5.4
79.05500	71.7
81.07060	77.5
83.04968	5.1
83.08603	13.1
83.69002	3.1
85.06549	6.4
91.05482	38.5
93.07053	70.2
95.04940	7.4
95.08616	57.9
97.06526	14.8
97.10166	14.5
105.07047	33.9
107.08599	53.3
109.10162	32.2
111.08125	4.1
117.07010	14.2
119.08590	27.4
121.10182	22.5
123.11696	12.4
125.09682	5.2
131.08568	25.5
133.10141	21.5
135.11705	43.8
135.83647	3.3
137.13271	4.0
143.08557	8.6
145.10132	18.9
147.11697	17.4
149.13235	7.8
157.10098	4.4
158.70926	3.3
159.11699	15.6
161.13310	7.9
163.11221	8.3
163.14859	4.6
169.10197	3.3
171.11694	6.1
173.11833	4.5
173.13281	12.2
175.14836	6.0
181.12219	14.3
183.11684	4.2
185.13222	6.4
187.14856	5.6
199.13235	3.5
201.16264	5.7
208.84241	3.7
213.16353	4.6
215.17810	3.8
227.12813	4.4
255.15958	32.1
259.20474	4.3
260.11234	3.3
261.22226	18.6
273.22223	5.2
287.23529	4.2
291.23166	3.2
317.24823	4.1
335.25735	25.7
384.32648	3.4
423.32419	12.8
441.33505	14.9
459.34790	12.2
461.32452	4.0
489.35709	5.0
497.36172	6.9
515.37396	100.0
533.38550	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.05521	1.3
56.05017	1.8
60.04524	1.0
65.03941	1.7
67.05495	2.7
69.03416	4.3
69.07069	2.9
70.06593	18.8
71.04979	2.0
71.06942	1.2
71.52488	1.5
72.08163	5.8
79.05485	3.0
80.46893	1.1
81.03416	2.1
81.07058	6.2
83.08621	1.4
84.04514	4.5
84.08144	11.4
85.02921	6.1
86.09702	9.9
87.10010	1.0
91.05484	6.7
93.07026	3.3
95.04942	1.2
95.08595	1.6
97.02906	1.3
103.05457	1.2
105.07030	4.6
107.04934	1.2
107.08590	16.6
109.02901	2.1
109.06513	4.3
109.10166	5.4
110.07164	4.2
115.05458	2.1
117.07005	1.4
117.22909	1.1
119.04906	1.8
119.08592	2.6
120.08093	5.3
121.06486	2.1
121.10142	9.1
122.07304	2.9
123.08074	2.1
125.09534	1.1
127.03878	1.6
129.10222	6.0
131.08583	2.2
133.10132	100.0
135.08043	13.0
135.11711	1.5
136.07581	4.9
137.05972	2.4
137.09621	55.5
144.36700	1.2
145.04997	2.0
147.04416	5.2
147.11702	1.2
149.13240	12.1
151.11179	1.8
163.03877	1.3
163.14836	1.5
173.13258	5.4
177.05551	1.1
181.04945	2.6
188.03442	1.4
191.14311	55.1
201.05455	7.0
209.15352	24.4
240.49809	1.3
295.02484	1.3
339.09836	2.5
363.22821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
57.03421	0.2
58.06356	0.2
58.06620	0.4
59.07401	0.2
60.08169	6.4
67.05503	0.5
69.03425	0.2
70.06600	1.7
71.07375	2.8
71.25743	0.2
72.08161	0.1
79.05492	0.3
81.07043	0.3
83.05006	0.2
84.04505	0.2
84.08142	0.9
86.09712	30.9
88.03961	0.1
91.05489	0.3
92.56773	0.1
93.07054	0.3
95.04943	0.2
95.08642	0.3
98.98470	3.1
104.10752	3.9
105.07029	0.3
107.08620	0.2
109.10193	0.2
110.07182	0.2
117.07089	0.1
119.08597	0.2
121.10147	0.2
125.00014	21.1
129.10262	0.3
136.07657	0.2
145.10132	0.1
173.09604	0.2
184.07355	100.0
185.07681	0.1
221.15579	0.2
514.29352	1.0
532.30389	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	533.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.3
61.12201	0.3
67.05492	0.4
68.19647	0.2
69.03425	0.5
69.07069	0.5
69.37530	0.3
69.56183	1.9
70.06593	1.5
72.08138	0.4
73.02927	0.4
79.05476	0.4
81.07047	0.7
83.04997	0.3
84.08138	1.2
85.02905	0.6
86.09705	0.7
90.73975	0.3
91.05497	0.4
93.07029	0.6
95.04942	0.4
95.08608	0.5
100.11282	0.3
105.07049	0.4
107.04980	0.4
107.08567	0.3
109.02928	0.5
109.10152	0.6
119.08566	0.6
120.08133	0.3
121.10153	0.3
129.10251	0.6
133.10126	0.3
137.09608	0.3
149.13274	0.4
155.03168	0.3
158.81883	0.3
165.65067	0.3
275.07581	0.8
313.16150	2.3
315.05023	0.6
317.08502	1.2
320.75488	0.3
335.09464	3.3
371.10944	0.4
401.21323	1.1
445.15695	0.7
445.20450	33.5
533.25690	100.0
534.25836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01870	1.5
55.05514	14.8
55.82208	0.9
57.03439	2.7
57.07083	3.9
62.13434	0.9
65.03944	1.7
67.05506	65.6
69.07073	18.2
71.04987	3.1
71.08641	2.2
71.52136	1.6
71.52529	1.2
79.05497	28.6
80.05829	1.2
81.07059	68.6
83.04996	2.9
83.08623	13.1
85.06527	2.8
87.04487	4.0
89.79131	1.2
91.05482	26.2
93.07049	33.9
95.04985	4.1
95.08609	36.3
97.06535	4.3
97.10176	3.2
99.54125	1.1
105.00080	2.0
105.04516	1.2
105.07029	16.0
105.07696	1.4
107.05061	1.2
107.08597	20.0
109.06509	1.7
109.10164	12.1
109.67392	1.1
111.08122	3.8
117.07037	6.3
119.08588	11.2
121.06554	2.0
121.10144	13.9
123.11699	5.4
128.06361	1.4
129.07027	1.5
131.08563	10.5
133.10153	12.2
134.10539	1.2
135.08057	1.9
135.11711	7.7
137.13202	1.3
143.08589	2.8
145.10126	6.2
147.11713	6.3
149.13274	14.7
151.11224	1.7
155.08580	1.8
157.10143	3.2
159.11714	7.7
161.13277	2.9
163.14919	1.7
171.11703	1.9
173.13289	1.9
175.14824	2.6
177.12822	2.1
177.16426	1.2
183.11772	1.9
185.13362	1.4
187.14833	1.5
189.16501	2.2
195.13763	5.2
213.14891	1.4
225.16577	1.4
245.22803	1.4
253.18018	1.3
259.20630	1.4
263.23727	4.1
277.21536	1.2
319.26266	1.3
344.23361	1.1
419.32333	1.4
421.34851	1.8
426.38885	1.2
439.35818	4.4
457.37277	1.6
491.27188	1.2
513.39325	3.8
531.40393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	Holstinone A
Peak:m/z	Relative Intensity
51.18943	1.3
53.03936	4.5
55.01874	3.5
55.05518	22.1
55.14185	1.2
57.07063	4.2
57.07526	1.3
63.23041	1.4
65.03937	2.0
67.05507	53.1
69.03403	1.9
69.07075	19.6
71.04980	4.3
79.05498	43.4
81.03419	3.2
81.06604	2.6
81.07061	48.2
83.04970	5.8
83.08621	10.3
85.02840	1.5
85.06541	3.2
90.23608	1.4
91.05485	38.1
93.07043	50.0
95.04956	5.1
95.08606	31.8
97.06531	6.7
97.10156	7.4
98.20676	2.3
99.08124	1.6
103.05386	2.1
105.04542	2.1
105.07039	41.5
107.04907	1.7
107.08605	31.8
109.06495	2.6
109.10168	20.0
111.08056	2.7
115.05422	2.1
116.27113	1.4
117.07009	17.8
119.08590	38.0
121.06565	2.0
121.10151	16.1
123.08037	3.7
123.11683	3.3
125.09628	6.6
128.06204	2.8
129.07019	10.0
131.08580	30.7
133.10132	31.0
135.08028	3.3
135.11702	24.2
137.09607	2.6
139.11230	2.2
141.07011	3.7
142.07773	2.7
143.08548	20.6
145.06473	1.6
145.10129	35.5
147.11696	21.3
149.09637	3.1
149.13237	5.9
151.11180	3.9
155.08521	8.6
156.09355	3.1
157.10139	21.3
158.10916	1.9
159.11685	28.5
161.09618	3.2
161.13274	16.1
163.11179	3.4
163.14803	1.5
167.08546	3.1
169.10118	14.4
171.11685	21.8
173.13254	18.8
175.11194	2.1
175.14828	5.6
177.12663	2.2
179.10716	1.4
181.10132	4.3
181.12259	3.5
183.11707	11.5
185.13278	18.6
187.11255	2.1
187.14879	10.2
189.12799	1.6
189.16344	1.8
195.11694	4.0
197.13280	7.9
199.11198	2.0
199.13278	2.0
199.14812	8.6
201.16371	3.3
205.96771	1.3
207.11760	2.8
209.13293	4.3
211.14818	7.7
212.15286	1.5
213.16368	6.5
221.13264	3.0
223.14745	3.9
225.16389	4.6
227.18103	1.8
237.16499	3.0
239.16252	1.9
241.19519	10.1
251.18076	2.1
253.14348	4.1
255.15881	15.4
257.19009	2.6
259.20590	23.7
261.18497	2.9
269.19070	1.8
271.20749	1.4
275.20114	2.5
285.22052	2.7
287.20209	1.7
297.22266	2.7
299.23688	3.1
303.23474	1.7
309.22003	1.8
311.23734	1.6
313.21652	2.5
315.23151	3.8
327.23270	1.9
329.24826	2.0
333.24316	11.6
347.23837	1.6
359.25546	1.5
393.31683	2.2
403.29794	7.2
409.30969	2.2
411.32825	7.0
421.30908	19.1
422.29749	2.6
429.33557	3.7
439.32098	15.3
457.33145	16.3
458.46454	1.4
483.35535	2.8
485.36588	6.4
495.34781	8.5
501.35458	7.3
503.37350	31.4
513.35773	100.0
531.36816	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03949	2.7
55.01868	1.5
55.05514	13.1
57.03439	2.6
57.07086	2.7
64.31856	0.5
65.03945	2.5
67.05508	46.9
69.03431	1.0
69.07072	15.0
71.04997	3.2
71.08635	0.8
73.06551	0.6
77.03959	1.1
78.07610	0.4
79.05499	39.3
81.03416	1.2
81.07061	51.4
83.04990	2.6
83.08621	8.8
85.06561	2.7
89.06066	1.6
91.04897	0.9
91.05486	24.3
93.07050	43.3
95.04965	4.0
95.08611	24.6
97.06533	5.9
97.10180	2.3
98.20712	0.7
99.08113	1.6
105.04527	1.4
105.07037	17.1
107.04958	0.5
107.08603	21.0
109.06519	1.8
109.10159	7.2
111.08086	2.9
111.11690	0.5
113.09667	0.5
115.05476	0.6
117.07021	8.6
119.08582	10.4
121.06537	1.3
121.10146	15.3
123.08080	0.8
123.11715	3.3
125.09620	0.6
129.07034	2.2
131.08578	14.1
133.08623	0.7
133.10132	11.3
135.08095	0.9
135.11696	9.9
139.11218	1.4
141.06998	1.1
143.08577	3.3
145.10138	7.6
147.11707	4.8
149.09639	1.4
149.13268	14.1
151.11214	1.0
155.08563	1.5
157.10127	3.2
159.11711	10.0
161.13242	2.7
163.14821	1.1
167.08601	0.7
167.14378	0.6
169.10135	2.2
171.11717	3.0
173.13258	4.8
175.14847	1.7
177.12714	2.9
181.10184	1.4
183.11720	1.4
185.13289	2.0
187.14929	2.6
195.11975	0.9
195.13808	6.1
197.13242	0.9
199.14873	1.7
201.16382	0.7
211.14871	1.0
212.62486	0.4
213.14828	0.9
215.18114	0.6
219.17451	0.6
223.14813	0.6
225.16391	0.7
229.20029	0.6
241.91299	0.5
243.21133	0.8
256.26398	2.5
259.20642	0.8
261.22162	2.8
275.20157	1.4
285.12006	0.6
285.22272	0.5
299.23724	0.9
299.34180	0.5
311.23593	0.7
317.24591	0.6
339.26553	0.6
419.33209	1.2
437.34225	4.3
455.35565	2.4
473.36365	0.7
493.36215	0.7
511.37979	3.3
529.38959	100.0
530.39978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03946	2.3
55.01872	1.0
55.05267	1.0
55.05512	12.9
57.03436	2.9
57.07078	2.1
57.51448	0.5
62.95512	0.7
65.03941	2.6
67.05508	42.0
69.07073	12.5
71.04984	3.3
79.05494	29.6
81.03423	1.0
81.07059	41.5
83.04978	2.5
83.08618	8.0
83.37875	0.5
85.06542	2.1
87.04467	3.3
91.05486	25.6
93.07050	34.9
95.04980	3.8
95.08612	22.5
97.06516	4.5
97.10173	1.7
99.08116	1.2
105.04527	1.4
105.07033	14.5
107.08601	18.5
109.06510	1.4
109.10159	7.8
111.08041	3.3
111.75391	0.6
115.05367	0.6
117.07015	8.3
119.06126	0.7
119.08583	10.6
121.06503	1.1
121.10154	14.5
123.08080	0.8
123.11687	2.9
125.09642	0.8
128.06261	0.9
129.07027	3.3
131.08577	12.7
133.10138	10.1
135.11703	8.1
141.07042	1.2
143.08565	4.2
145.10132	10.6
147.11717	4.7
148.32458	0.7
149.09616	0.9
149.13278	9.9
155.08571	1.9
157.10170	3.8
159.11690	10.0
161.13312	2.9
163.11142	1.0
169.10153	1.8
171.11688	3.0
173.13248	4.5
175.14830	1.4
177.12791	1.8
181.10199	0.8
183.11713	2.4
185.13284	2.3
187.14842	2.7
195.12070	1.0
195.13802	4.8
197.13304	1.8
199.14819	1.4
201.16394	1.3
201.79857	0.7
209.13261	0.8
213.14774	0.9
213.16541	1.0
223.14848	1.0
225.16533	1.0
239.17856	0.6
243.21097	0.8
253.18033	0.8
256.26401	1.1
261.22189	2.8
271.20853	0.8
299.23816	1.0
311.23508	0.7
315.23160	0.7
317.24780	1.0
325.25278	0.7
339.27090	0.7
380.93375	0.6
400.72131	0.6
419.33081	1.7
437.34116	6.1
455.35345	2.6
473.36182	1.3
493.36850	0.8
511.37854	4.3
529.38922	100.0
530.38818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03952	3.8
55.01877	1.3
55.05511	14.5
57.03445	3.6
57.07072	2.1
60.58471	0.8
65.03935	2.4
67.05506	47.2
69.03418	0.8
69.07069	17.1
69.27870	4.8
69.28271	1.5
70.37045	0.7
71.04993	2.8
77.03941	0.9
79.05495	34.9
79.61813	0.7
81.03432	1.2
81.07056	53.8
83.04996	3.5
83.08615	9.4
85.06550	1.3
91.05481	24.3
93.07046	45.3
95.05002	4.1
95.08607	27.7
97.06526	5.7
97.06982	0.6
97.10185	1.6
99.08104	2.0
105.04535	1.5
105.07030	18.8
107.08595	20.5
109.06537	2.1
109.10148	8.5
111.08092	3.2
117.07025	10.2
119.08582	12.6
121.10142	17.3
123.11725	2.7
125.09669	0.7
128.06244	1.1
129.07002	3.9
131.08560	13.4
131.09407	1.1
133.10132	13.6
135.08051	1.0
135.11696	10.4
137.09653	1.1
139.11252	1.2
143.08577	4.5
145.10127	9.8
147.11671	5.9
149.13264	16.2
151.11154	1.3
155.08543	1.5
157.10138	4.3
159.11685	13.3
161.13225	3.4
163.14806	1.1
165.12785	0.9
165.60315	0.8
167.08609	0.9
169.10208	2.3
171.11684	3.6
173.13219	5.1
175.14821	1.3
177.12769	2.2
181.10144	1.7
183.11708	2.5
185.13228	3.4
187.14920	2.1
189.16454	0.7
195.11861	1.6
195.13850	4.7
197.13405	1.4
199.14868	2.2
201.16414	0.8
209.13254	1.2
211.14984	1.1
223.74825	0.8
241.19612	1.1
242.98643	0.8
243.20995	0.8
253.14238	1.8
253.18015	1.0
259.20599	1.3
261.22235	2.6
315.23380	1.2
317.24927	1.1
419.33362	1.5
437.34534	5.8
455.35254	3.0
473.36188	1.3
501.35858	1.6
511.37784	3.4
529.38971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03950	3.2
55.01857	1.9
55.05515	14.6
57.03425	3.0
57.07061	2.0
58.20597	0.6
58.39744	0.7
65.03925	2.0
67.05508	41.9
69.07072	14.0
69.42648	4.6
71.04995	2.3
79.05497	37.3
81.03415	1.4
81.07057	49.7
83.04968	2.5
83.08618	9.1
85.06541	2.2
89.06028	0.6
91.05484	22.5
93.07045	40.8
95.04975	4.1
95.08610	25.4
97.06532	4.4
97.10172	2.7
97.56612	0.7
99.08087	1.9
101.13580	0.6
105.04518	1.5
105.07039	17.7
107.08600	19.0
109.06501	1.4
109.10171	8.1
111.08098	2.4
115.05425	1.2
117.07015	9.3
119.07803	1.1
119.08583	12.5
121.10155	15.6
123.11703	2.6
125.09623	1.0
128.06247	0.8
129.07021	3.4
131.08569	13.4
133.10124	11.8
134.35223	0.6
135.08061	1.6
135.11699	8.2
137.09605	1.0
137.13243	0.8
139.11218	0.9
143.08582	3.6
145.10109	9.6
147.11716	5.4
149.13266	11.6
153.36504	0.7
155.08554	2.0
157.10146	3.5
159.11688	11.4
161.13274	3.1
169.10103	1.8
171.11713	4.4
173.13242	4.7
175.14883	1.0
177.12770	2.6
181.10146	1.0
183.11719	1.1
185.13255	3.0
187.14847	1.8
195.12093	0.9
195.13805	5.7
199.14877	1.7
201.16380	0.9
203.17790	0.9
211.14850	0.7
225.16487	0.9
253.17975	0.9
261.22205	2.5
299.23914	0.8
419.32950	1.8
422.45651	0.7
437.33997	5.5
455.35123	3.2
473.36197	1.8
493.36465	1.0
511.37729	3.4
529.38904	100.0
530.39362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.6
55.01852	1.8
55.05511	15.6
55.09824	0.6
57.03422	2.7
57.07066	2.0
61.51684	0.6
65.03931	2.3
66.04718	0.6
67.05507	43.2
68.93510	0.6
69.07067	15.7
71.05002	2.9
73.19028	0.5
75.07180	0.5
77.03915	1.2
79.05493	35.1
81.03405	2.6
81.07056	47.5
83.05002	3.4
83.08619	7.9
85.06525	1.8
87.91818	0.5
91.05483	21.9
93.03069	0.6
93.07045	43.6
95.04962	4.1
95.08611	24.9
97.06518	5.0
97.10158	2.2
99.08114	0.6
103.05463	0.7
105.04508	2.2
105.07037	15.0
107.08597	21.1
109.06519	1.5
109.10165	8.4
111.08092	2.1
113.09561	0.5
115.05399	1.3
117.07014	8.1
117.07763	0.8
119.06046	0.8
119.08577	10.8
121.06490	1.0
121.10147	17.1
123.11726	3.3
125.09625	0.9
129.07027	3.1
131.08569	14.1
133.10129	9.8
135.11678	9.4
137.09651	1.0
139.11200	0.9
141.06941	0.8
143.08548	4.0
144.09315	0.6
145.10120	9.1
147.11687	5.3
149.13263	13.5
149.14401	1.1
151.14853	0.6
155.08534	1.0
157.10123	4.2
159.11699	11.6
161.13228	4.2
163.14882	0.8
167.87079	0.7
169.10077	1.6
171.11653	3.6
173.13293	5.5
175.14867	1.6
177.12773	2.6
177.16338	0.6
181.10028	1.0
183.11690	1.1
185.13216	2.9
187.14832	2.7
195.11868	1.3
195.13811	6.8
197.13235	1.5
199.13237	0.7
199.14899	1.6
201.16367	0.7
209.13303	0.8
211.00290	0.6
211.14769	0.7
213.14742	1.1
213.16525	1.1
225.16415	0.9
229.16853	0.8
253.17899	1.0
259.20560	0.8
261.22162	2.8
285.22269	0.9
299.23706	1.1
313.25092	0.8
317.24658	0.7
325.25024	0.8
405.39478	0.6
417.30225	0.7
419.33218	2.1
437.34189	6.7
455.35275	2.1
473.36301	1.6
493.35672	0.6
511.37564	3.4
529.38892	100.0
530.39252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
53.03955	3.2
53.20954	0.5
55.01868	1.6
55.05272	0.9
55.05514	11.7
56.77947	0.5
57.03435	2.8
57.07066	2.0
59.05009	0.6
59.12633	0.5
59.51911	0.6
65.03939	1.8
65.17967	0.6
67.05509	43.2
68.65872	0.5
69.07069	13.7
71.04985	2.8
77.03936	0.8
79.05495	35.5
81.03403	0.9
81.07059	46.0
83.04991	3.0
83.08617	8.6
85.06543	2.6
91.04916	1.1
91.05482	20.8
93.07048	41.0
95.04967	3.5
95.08614	24.0
95.09084	0.5
97.06553	4.9
97.10149	2.0
99.08086	1.5
103.05455	0.6
105.04556	0.8
105.06329	0.6
105.07037	12.8
107.08599	21.2
109.06518	1.0
109.10168	7.9
111.08080	3.2
117.07031	7.8
119.08592	9.3
121.06539	0.9
121.10152	13.7
123.08123	0.9
123.11741	1.7
125.09653	0.8
129.06987	2.7
131.08583	9.7
133.10150	8.4
135.08089	0.7
135.11703	8.6
137.09660	0.8
139.11232	0.7
143.08577	3.0
145.10120	6.1
147.11707	3.3
149.13261	13.7
151.11081	0.6
155.08571	1.3
157.10179	3.0
159.11707	10.5
161.13266	2.7
169.10141	1.7
171.11740	2.6
173.13268	2.9
175.14833	1.3
177.12785	2.6
181.10187	0.7
183.11748	1.2
185.13292	1.6
187.14871	1.8
195.12090	0.9
195.13834	5.7
197.13203	0.8
199.14832	0.9
201.16344	0.7
211.14764	0.5
213.14769	0.9
215.17979	0.6
230.30910	0.6
243.21092	1.2
261.22208	2.5
417.29968	0.8
419.33307	1.1
437.34219	4.9
455.35413	2.4
473.36093	0.8
511.38065	2.3
529.38922	100.0
530.39337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
55.01879	15.6
55.05513	32.7
56.05020	5.0
56.93110	2.9
57.03427	17.4
58.63223	3.8
59.04994	3.3
60.04527	2.9
61.02927	36.2
67.05510	59.7
69.03431	20.0
69.07067	31.4
70.06599	51.2
71.04983	6.7
71.22036	6.7
72.08144	10.7
73.02917	14.5
79.05502	45.4
81.03417	33.5
81.07061	80.4
82.03751	5.7
83.04967	12.4
83.06064	2.9
83.08617	19.3
84.04505	7.2
84.08149	36.9
85.02908	38.1
85.06532	6.4
86.09689	14.0
91.03975	15.6
91.05478	44.9
93.07051	48.8
95.04985	18.8
95.08605	39.0
97.02888	33.4
97.06554	21.0
97.10152	8.5
98.50694	3.0
99.04415	6.6
99.08104	6.3
101.02377	4.0
102.05528	5.2
103.03943	6.2
103.05472	3.6
105.07044	45.7
107.04951	16.4
107.08591	33.9
109.02893	7.1
109.06503	14.6
109.10162	25.5
110.07117	6.0
111.08090	7.2
115.03905	4.0
117.07064	16.5
117.07750	3.1
119.04889	4.6
119.08596	38.8
120.08070	6.0
121.06521	6.4
121.10147	17.0
123.08047	5.7
123.11682	8.4
125.09620	10.8
127.03916	18.9
127.04707	3.0
129.06999	4.9
129.10266	15.5
131.08563	16.2
133.06519	5.6
133.10146	25.6
135.08072	7.5
135.11685	9.3
136.07545	5.1
137.09605	6.8
143.08559	6.4
145.04996	4.6
145.10101	17.8
147.08089	3.3
147.11717	23.0
149.09625	21.4
149.13229	9.7
151.03908	7.0
153.01848	6.2
157.10094	10.0
159.08008	3.1
159.11691	16.5
161.13333	7.8
163.11165	16.1
165.12741	5.4
167.89746	3.6
171.10236	3.2
171.11653	6.4
173.11830	5.5
173.13264	8.1
175.11201	5.8
177.12807	5.9
181.04918	5.7
183.06609	4.9
183.11710	6.2
185.13251	5.2
187.11200	3.4
189.11201	5.9
193.12267	15.1
194.12627	6.9
197.13206	4.5
207.06483	7.4
215.14348	3.1
217.15927	3.3
227.12686	7.6
229.14349	10.9
229.19565	4.7
235.16769	3.8
239.18016	7.5
245.13655	4.2
247.20540	3.6
257.18951	15.8
267.15854	6.1
267.47766	3.2
268.16354	6.0
269.17624	5.2
275.20084	100.0
285.16895	9.5
286.17310	22.5
293.21021	12.9
349.23755	80.4
355.04398	7.2
367.20764	2.9
367.24786	45.1
391.24902	4.0
457.25412	3.6
467.13333	10.5
493.27744	5.4
511.15976	18.2
511.29031	7.1
529.23029	8.9
529.30096	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	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24547	1.4
53.03935	6.9
55.01861	6.8
55.05515	22.0
56.05009	2.9
56.79292	1.4
57.03437	14.9
57.07095	1.6
61.01834	1.3
61.02927	34.3
65.03926	4.0
66.53053	1.2
67.05505	50.3
67.95626	1.3
69.03437	25.0
69.07068	23.6
69.19840	11.9
69.20250	2.2
70.06593	20.7
71.01350	3.6
71.04989	7.7
71.08624	1.7
72.08139	4.0
73.02919	17.0
73.06539	1.5
74.06073	2.6
79.05493	35.1
81.03422	15.0
81.07056	70.7
83.04968	6.8
83.08622	13.1
84.04484	2.2
84.08153	13.4
85.02903	36.0
85.06539	4.9
86.09710	3.7
91.03965	17.4
91.05479	35.5
93.07046	33.6
95.04973	10.4
95.08606	30.6
97.02290	2.6
97.02893	28.7
97.06538	11.8
97.10165	4.9
99.04451	5.4
99.08056	1.9
101.02371	6.4
102.05582	1.7
103.03935	4.8
105.07036	38.7
107.04954	7.5
107.08591	27.9
109.02863	6.5
109.06499	11.9
109.10161	18.1
110.07175	3.7
111.08080	4.9
115.03909	4.1
117.07001	12.1
119.08584	30.9
120.08036	1.7
121.06509	4.7
121.10140	17.1
123.08067	5.1
123.11696	9.2
125.05943	1.6
125.09604	4.5
127.03904	14.7
129.05499	3.0
129.06989	4.2
129.10239	6.1
131.08556	15.7
133.06424	3.0
133.10132	20.3
135.08022	4.6
135.11746	7.6
136.07596	2.9
137.05978	1.9
137.09601	5.5
137.13304	1.7
143.08525	6.2
145.04930	3.3
145.10121	16.3
147.08012	2.4
147.11684	21.0
149.09619	13.6
149.13240	6.9
151.11143	3.7
153.01746	2.7
155.07187	1.4
155.08531	2.2
157.10085	6.4
159.06680	1.6
159.11699	12.7
161.09601	2.4
161.13287	6.9
161.44397	1.5
163.11185	6.7
165.12785	5.6
169.10104	2.6
171.10216	1.8
171.11633	5.3
173.13280	5.0
175.11154	3.8
177.12712	4.7
179.10660	1.8
179.14362	2.9
183.06555	4.1
183.11676	6.0
185.13266	1.6
189.11143	4.9
189.12685	2.4
191.14284	3.0
193.12262	2.6
195.13747	3.2
197.13179	3.5
199.14742	2.5
201.07616	2.4
201.12807	1.9
201.16367	2.2
207.13741	2.2
217.15883	3.1
227.12772	4.3
229.14346	2.9
229.19502	5.3
231.17293	1.7
236.36975	1.8
239.17917	6.4
247.20564	3.7
253.18021	2.2
257.18994	14.9
265.21652	2.1
268.16284	2.0
269.17493	4.8
273.18570	1.9
275.20065	100.0
285.08612	2.1
293.21103	19.6
324.93018	2.5
325.17767	2.1
330.01892	1.7
331.22650	2.6
349.19278	2.4
349.23706	49.6
367.24777	51.9
382.10062	2.6
391.24695	2.7
457.26053	2.1
467.13437	4.5
475.27142	2.0
493.27728	4.1
511.15927	4.8
511.28757	5.0
518.43042	1.7
529.30444	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	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01863	7.0
55.05515	25.4
56.96567	4.6
57.03434	10.6
61.02921	7.6
67.05137	2.3
67.05504	40.6
69.03423	8.3
69.07066	20.8
69.21359	17.7
71.04984	4.6
73.02924	4.4
79.05491	27.1
81.03426	12.8
81.07058	53.8
83.04964	6.4
83.08611	18.2
84.08169	3.2
85.02900	10.3
85.06547	4.4
91.03957	4.4
91.05476	38.5
93.07044	32.5
95.04966	18.3
95.08608	26.2
97.02888	6.4
97.06518	12.3
97.08070	1.9
97.10163	6.1
98.97539	2.8
99.04475	2.1
103.05455	3.2
105.07031	36.3
107.04966	13.6
107.08601	19.1
109.02935	2.6
109.06536	12.7
109.10135	10.4
111.04437	2.7
111.08081	3.8
117.07002	12.9
119.08575	29.0
121.06496	5.0
121.10137	13.2
123.08069	6.9
125.09639	6.2
129.07004	4.0
131.08556	18.2
133.10143	21.6
135.08052	6.0
135.11676	11.4
137.09660	4.0
143.08560	3.9
145.10104	15.7
147.08058	3.2
147.11708	8.8
149.09624	14.7
149.13261	3.2
151.11218	3.2
157.10117	6.9
159.11690	11.3
161.09583	2.7
161.13249	3.3
163.11183	16.3
165.12709	2.9
169.10059	2.5
171.11703	3.7
173.09752	3.2
173.13252	3.7
175.11205	2.3
177.12825	5.3
179.14362	3.5
183.11673	4.5
189.12749	2.5
197.13261	3.2
205.12231	5.6
219.17456	30.2
223.13252	4.8
229.19479	4.6
239.17921	3.8
255.09152	2.6
257.19034	5.7
269.10617	7.0
275.20059	73.7
293.21094	8.2
297.16995	3.1
309.20547	2.0
317.20493	2.0
331.15836	5.8
349.17218	16.3
349.23727	100.0
365.15414	5.0
367.17978	18.5
367.24808	22.5
374.15903	8.1
424.17346	2.4
448.23819	2.5
511.28912	7.6
529.27026	7.9
529.34692	7.0
535.23853	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17154	0.9
53.03950	4.8
55.01874	9.3
55.05513	9.4
56.96553	1.0
57.03431	5.5
57.70388	0.7
61.02932	4.0
65.03929	1.9
67.05506	22.4
69.03416	2.3
69.07067	17.7
70.06561	0.8
71.04993	1.4
71.52235	1.2
73.02923	1.5
79.05072	1.2
79.05498	18.7
79.83847	0.8
81.03424	8.2
81.07059	32.5
81.51495	0.9
83.04989	5.3
83.08620	3.6
85.02888	3.4
85.06545	1.8
88.86128	0.8
91.03961	2.2
91.05479	25.4
91.06026	1.6
93.07047	18.0
95.01325	5.6
95.04972	7.3
95.08610	17.2
97.02885	3.0
97.06531	14.0
97.10175	2.1
101.06045	0.8
105.04523	1.1
105.07033	35.4
107.04951	12.0
107.08601	9.0
109.02892	0.9
109.06530	4.9
109.10144	5.4
111.04436	1.9
111.08076	2.5
117.07018	9.1
118.96334	0.8
119.07807	1.6
119.08593	19.4
121.06500	3.7
121.10140	3.9
123.04449	2.3
123.08064	4.9
123.11702	0.9
125.09654	2.0
129.07021	2.2
131.08580	11.3
133.06497	1.2
133.10138	18.1
135.08049	3.0
135.11687	6.1
137.09637	1.9
139.07536	1.3
141.06973	2.1
143.08565	2.2
145.06465	1.9
145.10126	9.4
147.08031	1.7
147.11707	7.5
149.09619	2.9
149.13249	2.6
151.11174	1.6
155.08484	1.5
157.10147	2.6
159.11684	7.0
161.09645	0.8
161.13336	2.0
163.11198	4.1
169.10141	2.2
171.11583	1.9
173.05724	0.9
173.13290	2.3
177.12790	3.0
179.14333	7.7
181.12256	1.0
183.11725	1.7
187.07288	0.7
187.11171	2.9
189.11200	1.3
189.12761	1.0
223.13239	2.0
227.12848	1.6
229.19559	1.2
239.17943	1.0
241.14424	1.0
247.20563	1.1
257.19046	2.6
275.20047	37.5
285.16910	1.2
293.21136	2.8
349.23727	100.0
350.24048	1.4
367.17911	3.5
367.24805	2.4
373.65106	1.0
385.18652	0.9
511.29083	1.3
529.28088	1.6
529.36340	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01878	10.9
55.05519	24.7
57.03443	12.4
57.75177	1.6
59.05008	2.4
59.55674	1.5
61.02933	36.0
65.03937	2.4
67.05511	49.1
67.68610	1.5
69.03439	22.8
69.07080	16.1
69.24633	4.4
69.25060	11.7
70.06589	5.2
71.01353	4.3
71.04992	5.9
73.02929	14.8
75.04466	1.8
79.05070	3.4
79.05499	38.1
81.03423	21.3
81.07069	47.3
83.05006	11.7
83.08624	26.4
84.04542	1.6
84.08164	3.4
85.02911	31.6
85.06538	4.9
86.09721	2.9
91.03957	16.3
91.05492	36.9
93.07050	38.0
95.04976	19.1
95.08614	33.6
97.02901	33.0
97.06534	11.1
97.10182	4.3
98.20676	3.3
99.04450	5.5
99.08111	3.1
101.02383	6.5
103.03939	4.2
103.05467	2.0
105.07040	40.7
107.04972	16.3
107.08604	26.8
109.02913	9.5
109.06536	11.5
109.10165	21.4
111.04453	3.3
111.08085	8.5
115.03909	2.1
115.05406	1.5
117.07032	15.0
119.04970	2.1
119.08595	33.9
121.06469	9.6
121.10151	17.0
123.04430	2.4
123.08054	9.2
123.11705	4.5
125.09624	5.2
127.03910	13.9
128.06204	2.5
129.05530	2.4
129.06998	5.9
131.08592	20.7
133.06497	3.6
133.10149	30.0
135.08063	6.6
135.11694	10.9
135.36032	1.6
137.05986	2.0
137.09602	7.0
139.07533	1.9
139.11124	2.8
141.06931	3.2
142.07733	2.5
143.08566	3.1
145.04938	4.5
145.06517	1.6
145.10141	30.6
147.08061	4.1
147.11714	13.5
149.05948	1.5
149.08551	3.2
149.09644	28.1
149.13274	5.1
151.07614	2.0
151.11172	9.1
153.09129	2.6
155.08551	3.6
157.10091	8.4
159.11713	15.6
161.09653	6.8
161.13281	5.5
162.17639	1.8
163.07518	1.8
163.11188	30.3
165.09163	1.9
165.12772	4.8
167.10703	2.2
169.10156	4.7
171.11697	7.7
173.09637	4.5
173.13260	7.5
175.11208	7.0
177.12758	6.1
181.12068	2.3
183.06531	4.7
183.11691	6.0
187.11176	3.6
189.12692	2.8
191.14317	2.5
197.13293	4.4
201.12752	2.6
201.76952	1.6
207.13785	3.0
209.11629	2.0
215.14346	2.0
215.17999	1.9
219.17390	3.3
222.50301	1.9
223.13234	3.3
229.19557	2.9
239.17935	7.6
247.20609	7.8
257.18997	17.5
269.17520	3.6
273.18427	2.4
275.20087	100.0
291.19583	2.8
293.21103	13.3
307.85873	1.9
336.80453	2.0
349.17062	2.5
349.23761	48.2
367.17789	2.9
367.24829	30.9
391.24567	2.5
402.66412	1.6
493.28027	3.7
511.29199	5.4
529.29474	6.1
529.35760	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	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01861	5.8
55.05510	16.8
57.03442	8.1
61.02923	18.9
67.05507	23.2
69.03435	10.1
69.07079	10.6
69.21511	13.1
70.06566	1.8
71.04988	2.1
73.02921	8.5
79.05496	20.5
79.93774	1.4
81.03419	8.5
81.07059	29.1
83.04976	8.3
83.08606	12.5
85.02908	15.9
89.87286	1.7
91.03950	7.2
91.05482	23.3
93.07051	23.7
95.04977	9.6
95.08613	15.9
97.02876	13.7
97.06541	3.8
97.10171	3.5
99.04475	2.8
101.02367	3.9
105.07028	24.1
107.04972	7.9
107.08604	16.3
109.02905	3.5
109.06531	8.0
109.10165	11.5
111.08089	4.3
117.07039	7.0
119.08578	17.6
121.06524	10.7
121.10141	11.4
123.08070	3.7
123.11707	3.2
125.09643	2.1
127.03855	4.0
129.06990	2.9
131.08572	16.4
131.26685	1.5
133.06454	2.3
133.10132	21.7
135.08095	3.4
135.11676	7.0
137.09612	4.0
141.06982	3.0
143.08556	4.7
145.04970	2.6
145.06427	2.5
145.10132	15.9
147.08080	3.9
147.11711	12.8
149.09639	13.5
149.13248	3.3
151.11176	4.4
155.08572	3.0
157.10155	2.6
159.11678	10.1
161.09630	5.3
161.13152	1.8
163.11174	16.6
165.12737	2.3
171.11639	3.6
173.09645	3.7
173.13251	5.9
175.11201	2.7
177.12740	3.7
183.11696	2.3
187.11232	1.9
188.00807	1.5
189.12741	1.7
191.14262	2.0
197.13301	2.5
201.12631	2.1
201.16428	1.7
207.13913	2.2
213.16498	1.9
215.17949	2.0
219.13852	2.1
229.19478	3.2
239.17973	3.7
247.20615	2.8
257.18994	13.5
275.20062	67.6
293.21115	13.2
331.22714	2.0
349.23740	100.0
351.85239	1.7
367.24802	17.1
511.28717	2.9
518.10773	1.6
529.29694	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	528.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
56.05864	0.8
56.90271	0.6
57.03446	1.2
57.07079	29.2
67.05508	6.1
68.05846	0.9
68.52122	0.7
69.07064	3.1
71.08633	25.2
73.06558	7.7
74.93693	0.7
79.05492	3.7
80.05832	1.1
81.07060	6.3
82.41534	0.7
83.05006	1.0
83.08624	6.0
85.06546	0.8
85.10186	27.1
87.04474	5.3
89.06032	100.0
91.05481	4.0
91.07556	0.9
92.05804	1.0
93.07061	4.0
93.76917	0.8
94.07387	0.9
95.05014	0.9
95.08614	3.9
96.08936	1.0
97.10175	1.7
99.11739	3.7
100.36878	0.8
105.07033	3.5
106.07343	0.8
107.07085	1.6
107.08616	2.7
109.10148	2.1
109.94876	0.7
117.07014	2.4
117.09134	6.5
118.07389	0.8
119.08585	3.0
121.10138	1.2
128.06198	0.8
129.07001	2.3
130.08647	2.4
131.07080	1.3
131.08577	3.9
133.08611	50.5
133.10187	2.2
134.10460	0.7
135.10231	0.6
138.22830	0.7
141.07013	1.2
141.16396	5.4
143.08585	2.4
144.08850	1.2
145.10155	3.5
146.10521	1.1
155.08545	2.0
156.09064	0.9
157.10133	2.2
158.10474	1.5
159.11670	2.2
160.12000	1.0
161.11726	1.8
169.10191	1.7
170.10442	1.3
171.11694	2.3
172.12035	1.3
177.11230	22.2
183.11702	1.9
184.12079	1.4
185.13229	1.0
185.19049	6.8
186.13632	1.1
195.11955	0.9
197.13190	1.7
198.13560	1.1
209.13246	0.9
212.14986	0.7
221.13812	5.2
223.15088	1.3
226.21663	1.0
229.21660	14.6
239.15152	0.9
257.89063	0.7
265.16315	1.2
273.24268	8.4
283.17410	1.3
284.24634	0.7
327.20175	1.7
371.22784	7.2
418.31763	1.4
423.32895	1.3
436.32809	4.3
454.33746	1.9
467.35767	0.9
510.36505	3.2
511.38431	14.0
528.37488	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	528.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01879	3.2
55.05515	6.8
57.03434	6.0
57.06789	0.8
57.07076	11.8
59.04990	3.2
61.02930	4.7
63.81028	0.3
65.64916	0.3
67.05521	0.8
69.03430	11.6
69.07069	53.6
69.64632	1.4
69.65050	0.8
70.06596	1.3
71.01341	1.5
71.05000	5.3
71.08631	8.4
73.02918	25.0
73.06557	9.9
74.09684	0.5
79.05479	0.4
81.03418	1.8
81.07069	0.5
83.08610	1.7
84.08138	0.9
85.02908	26.2
85.10183	4.2
86.09693	0.9
87.04462	1.6
89.06031	31.4
91.03957	1.1
91.05479	0.5
97.02894	19.3
98.21487	0.7
99.04465	1.4
99.11708	1.2
103.03921	1.4
109.02865	2.5
109.10182	0.4
111.11721	81.2
115.03933	8.3
120.08098	0.4
127.03906	7.8
129.12758	100.0
133.04013	0.7
133.04965	8.9
145.03917	0.7
145.04953	7.9
150.35880	0.4
163.03975	0.4
163.06084	2.1
163.07246	0.5
170.15376	0.6
179.96211	0.5
199.16933	23.4
217.07072	0.4
217.17992	38.4
223.05931	1.3
241.07069	1.7
259.05487	0.4
259.08121	1.6
289.57404	0.3
295.10144	0.4
366.23260	0.4
371.21298	0.4
385.59540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03447	2.5
61.02918	2.4
65.03940	2.4
69.03423	5.9
70.02959	4.4
70.06598	12.0
70.75521	5.9
72.08166	5.2
73.02899	3.5
78.03779	2.2
81.03426	3.6
84.04498	5.2
84.08151	7.0
85.02909	25.5
86.09705	9.6
87.42250	2.0
88.04005	7.5
91.05471	2.1
95.01337	4.9
97.02895	8.2
99.04469	2.7
109.02893	2.9
110.02399	2.6
110.06052	1.9
110.07158	5.4
111.04404	2.1
113.02345	9.6
117.05765	5.5
117.07011	3.0
118.06569	46.6
120.08008	2.0
127.03938	4.1
127.08772	3.1
129.07013	3.9
130.06540	100.0
132.08060	4.6
136.07591	4.1
143.07304	4.6
144.08099	79.3
145.05106	2.5
149.07466	2.5
150.07805	5.1
153.10274	4.2
154.06560	13.9
155.07292	8.6
156.08127	15.9
158.06049	12.0
160.05035	3.0
160.07576	12.0
167.07278	2.7
168.08089	6.7
170.06036	4.4
172.07602	81.5
179.08218	13.5
180.08080	2.7
181.05002	30.4
182.05954	3.1
184.07602	13.7
186.05521	7.4
190.08659	92.9
192.07648	3.0
194.06117	3.2
194.09689	2.1
196.07602	5.7
197.09256	4.9
198.05502	6.3
200.06984	2.3
212.07112	8.9
214.08559	5.4
224.06976	10.2
226.04942	3.7
227.26912	2.3
236.06995	2.1
236.10330	4.2
238.05066	2.5
240.06557	2.5
242.07976	2.1
252.06422	3.0
254.08098	5.3
260.09280	13.4
272.09140	7.5
282.10815	2.6
302.10205	9.4
312.08472	3.0
320.11288	22.6
330.09756	21.9
348.10815	35.6
349.18729	6.9
358.34589	2.0
366.11826	5.7
366.26569	2.4
398.12189	9.7
464.21588	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	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88752	0.9
53.03947	1.9
55.01866	0.8
55.05515	11.8
57.03430	2.4
57.07078	6.8
58.07419	1.2
65.03925	1.2
67.05511	22.1
69.07070	9.7
71.04985	2.1
71.08636	7.6
72.08968	0.8
73.06557	1.6
79.05074	1.2
79.05499	18.3
81.03412	1.3
81.07058	21.1
83.04974	1.6
83.08619	7.1
85.06518	2.0
85.10185	3.3
86.10492	0.9
87.04456	1.2
89.06033	14.7
90.06381	1.3
91.05486	18.7
93.07047	17.0
95.04984	2.5
95.08616	15.6
97.06526	2.3
97.10165	4.0
98.20772	2.9
105.07040	20.8
107.08599	11.0
109.06510	2.0
109.10152	6.4
111.08117	1.3
115.05448	2.5
117.07025	9.7
117.09156	1.2
119.08585	13.9
121.06512	1.1
121.10175	6.8
123.08070	1.3
123.11729	1.5
125.09635	2.4
128.06224	2.4
129.07010	13.2
130.07817	1.2
131.08577	18.2
133.08632	8.1
133.10141	8.9
134.08943	2.9
135.11694	3.6
137.09639	1.3
141.07036	4.0
142.07794	2.7
143.08562	14.0
145.10133	15.2
147.08055	1.3
147.11713	4.4
149.13272	2.3
154.07829	1.2
155.08559	8.9
156.09294	1.6
157.10127	14.2
159.11711	9.1
161.13275	1.6
162.20808	0.9
167.08612	3.6
169.10121	9.2
171.11687	11.6
173.13274	5.2
175.11195	1.2
177.11250	2.7
178.11641	1.1
179.08531	1.2
181.10100	4.8
183.11699	10.0
185.13255	8.1
187.14876	3.0
193.10254	1.5
195.11720	4.7
197.13257	6.7
199.14830	5.5
201.16411	1.4
207.11740	2.1
209.13254	3.9
211.14818	2.9
213.16522	2.3
221.13588	1.5
223.14873	3.9
225.16461	2.1
229.22813	1.1
235.14792	1.3
237.16435	1.8
239.17975	1.1
249.16382	1.8
259.20575	2.4
263.17944	1.3
283.20432	0.9
297.22107	1.4
309.22488	0.9
311.23798	1.2
315.23187	1.5
323.23694	2.0
327.20062	2.3
328.20532	2.3
339.23318	1.3
349.25067	1.2
352.92099	0.9
353.24918	1.6
355.26224	1.3
365.24722	1.0
417.31512	5.1
435.32611	17.5
453.33795	6.6
471.34641	2.4
473.34415	1.3
491.35159	2.9
509.36319	12.9
510.41064	4.5
527.37329	100.0
528.37463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03938	1.8
55.01870	1.5
55.05276	0.8
55.05518	11.9
56.33717	0.7
57.03442	3.1
57.07065	1.3
63.87610	0.6
65.03932	1.2
67.05508	19.9
69.07076	9.4
70.47314	1.8
71.04999	0.9
79.05495	15.5
81.07064	20.4
83.04984	1.9
83.08624	4.5
85.06528	0.8
88.73252	0.6
88.77098	0.5
91.05486	14.6
93.07046	13.9
95.04971	1.7
95.08614	14.3
95.09183	1.3
97.06533	2.4
97.10183	2.9
98.20831	0.6
99.08073	0.8
100.30026	0.7
102.32870	0.6
105.04518	0.8
105.07036	16.0
105.94741	0.6
107.08606	9.7
109.06514	1.3
109.10152	6.2
111.08082	1.3
115.05428	0.9
117.07018	11.0
119.08595	11.1
121.10142	4.4
123.08109	1.7
123.11721	1.2
125.09631	1.7
128.06247	3.4
129.07011	11.4
130.07820	0.7
130.84256	0.6
131.08578	17.2
133.10144	8.7
135.08055	0.7
135.11691	3.3
141.06998	5.0
142.07808	3.2
143.08575	16.7
145.10133	14.7
147.08054	1.2
147.11717	3.4
149.09657	0.7
149.13235	1.9
153.06897	0.9
154.07794	1.1
155.08569	10.1
156.09351	1.1
157.10123	13.9
159.11707	11.3
161.13248	1.2
165.07147	0.7
167.08551	3.2
168.09229	1.1
169.10136	11.0
171.11703	13.6
173.13226	5.8
175.30815	0.6
179.08537	0.8
181.10147	5.5
182.10902	0.9
183.11694	11.7
184.12422	0.7
185.13269	9.4
187.14850	1.7
193.10161	1.9
195.11711	5.0
195.13354	0.8
197.13274	7.9
199.14830	4.5
201.16434	1.1
207.11710	2.3
209.13292	3.9
211.14882	4.3
213.16483	2.4
221.13277	1.8
223.14816	3.1
225.16403	2.0
227.18095	1.2
235.14822	2.1
237.16409	2.2
251.18042	1.3
253.19492	0.7
263.17947	1.4
283.20624	1.7
297.22156	1.6
301.21777	0.8
309.22000	1.0
311.23526	1.3
313.21603	0.8
315.23386	1.2
323.23859	1.8
325.21732	0.8
325.25363	1.0
329.24982	0.7
337.25406	1.4
339.23245	1.7
347.23688	1.2
349.25333	1.1
353.25250	0.8
361.25055	0.7
365.24783	0.7
379.26355	0.8
417.31433	6.2
435.32614	17.5
453.23273	0.7
453.33719	6.3
463.76016	0.7
471.34781	2.3
473.34149	1.7
491.35098	2.4
509.36127	11.0
527.37354	100.0
528.37750	1.2
532.95990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03954	1.5
55.01871	1.4
55.05516	12.7
57.03441	3.6
57.07076	1.1
58.85319	0.6
59.04999	0.9
65.03928	1.6
67.05509	21.3
69.07068	10.3
70.04983	0.6
70.05325	2.8
71.05005	1.7
73.06542	0.6
79.05499	16.7
81.03419	2.1
81.07058	20.2
83.04995	1.9
83.08621	5.4
85.02893	0.7
85.06557	1.0
91.05488	14.6
93.07046	14.0
95.04961	2.8
95.08612	14.5
97.06518	2.7
97.10165	3.6
99.08078	0.7
105.07037	13.0
107.04958	1.0
107.08609	10.3
109.06508	1.3
109.10160	5.8
111.08085	1.1
115.05427	1.3
117.07028	8.4
119.06013	0.7
119.08596	13.2
121.06529	0.8
121.10168	7.0
123.08066	0.9
123.11706	1.0
125.09648	1.6
128.06259	2.5
129.07011	10.0
131.08574	16.8
133.06476	0.7
133.10139	9.4
135.08179	0.8
135.11710	3.0
137.09572	0.7
137.46939	0.5
139.11197	0.8
141.06989	4.6
142.07780	2.7
143.08572	14.4
144.09361	0.8
145.10141	14.5
147.11702	4.2
149.09560	0.8
149.13271	1.9
153.06993	1.4
154.07761	1.2
155.08571	9.1
156.09297	1.2
157.10135	15.4
159.11684	11.2
161.13237	1.3
163.14824	0.6
166.07803	0.7
167.08623	3.6
168.09369	1.4
169.10155	11.1
170.04163	0.6
170.11006	0.7
171.11696	11.7
173.09789	0.6
173.13249	5.3
175.11292	0.6
175.14865	0.7
177.21533	0.6
179.08669	1.4
181.10181	5.1
182.11040	0.7
183.11714	9.9
185.13268	8.5
187.11229	0.7
187.14839	2.2
193.10173	1.9
195.11707	5.3
195.13361	0.6
197.13289	7.2
199.14813	4.7
201.16379	1.2
203.14406	0.7
207.11748	2.3
209.13269	4.9
211.14835	3.7
213.16435	1.9
221.13326	2.4
223.14772	3.2
225.16391	2.2
227.18173	1.0
235.14958	1.7
237.16451	1.7
239.18025	1.1
249.16360	0.8
251.18152	0.8
255.17476	0.7
263.17975	0.9
265.19727	0.7
277.19617	0.6
283.20621	1.3
284.16965	0.7
295.20712	0.8
297.18866	0.7
297.22159	1.1
301.18289	0.6
301.21655	1.1
309.22305	1.7
311.23758	1.4
315.23123	1.0
323.23895	1.7
325.21719	0.6
327.23221	1.3
331.15826	0.7
335.23825	1.1
337.25241	1.5
341.24731	0.8
353.24890	1.1
355.26172	1.1
361.25308	0.8
365.24765	0.7
417.31461	6.5
433.29828	0.8
435.32648	15.9
453.33765	7.6
471.34735	2.3
473.34158	1.8
491.35178	1.8
509.36307	10.3
514.95691	0.7
527.37360	100.0
528.37714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
53.06673	0.6
55.01876	1.3
55.05272	0.8
55.05516	11.7
57.03446	3.3
57.07064	2.5
65.03931	0.8
67.05137	1.0
67.05504	18.4
69.03441	0.9
69.07073	9.4
71.04977	1.7
79.05076	1.0
79.05499	15.8
81.06592	1.1
81.07059	20.7
83.04994	1.7
83.08625	5.4
85.06539	1.2
89.06026	1.2
91.05479	14.9
93.07045	16.8
95.04964	1.3
95.08608	14.6
97.06545	2.4
97.10186	3.5
105.07041	16.7
107.08591	7.6
109.06561	0.7
109.10163	5.4
111.08067	1.1
115.05436	1.4
117.07028	12.0
119.08588	11.8
121.10153	5.7
123.08092	1.0
123.11723	1.2
125.09623	1.0
128.06232	2.9
129.07018	11.4
130.07750	1.0
131.08569	17.4
133.10115	6.8
135.08157	0.7
135.11702	2.7
139.11140	0.7
141.07033	4.3
142.07777	2.5
143.08577	15.6
145.10133	15.5
147.11687	3.9
149.09639	0.9
149.13235	1.7
151.11148	0.6
153.06955	0.8
154.07811	1.3
155.08546	9.6
156.09322	1.7
157.06470	0.6
157.10127	14.2
159.11711	11.3
161.09595	1.1
161.13307	1.9
163.11165	0.7
165.06993	1.2
167.08559	3.8
168.09401	1.3
169.10132	11.7
170.10799	0.6
171.11688	12.1
173.13278	6.2
179.08597	1.4
180.09398	0.9
181.10126	5.5
182.10992	1.1
183.07722	0.6
183.10092	0.6
183.11717	10.8
184.12360	0.6
185.13263	8.8
187.14845	2.0
193.10191	1.6
193.12370	0.6
195.11716	5.1
197.13254	8.9
199.14862	4.5
201.16377	1.7
207.11653	1.3
209.13210	4.0
211.14806	3.9
213.12790	0.8
213.16415	2.8
219.17590	0.8
221.13264	2.1
223.14873	2.9
225.16312	3.2
229.26205	0.7
233.13196	0.6
235.14926	1.8
237.16441	2.1
239.17896	1.4
245.19188	0.6
247.14626	0.8
249.16454	1.5
251.18083	1.1
251.49321	0.6
253.19632	0.8
255.17398	0.8
257.19058	1.2
259.20523	1.4
263.18106	1.1
265.19608	0.9
269.19006	1.1
271.20746	0.6
279.20972	0.8
281.18985	0.7
283.20483	1.4
295.20673	0.9
297.22165	1.3
299.19965	1.0
301.21811	0.9
309.22311	1.2
311.23840	1.4
313.21939	0.8
323.23657	1.5
327.23270	0.9
337.25204	1.2
339.23059	0.9
341.24844	0.8
347.23770	1.0
349.25134	0.7
353.24765	1.1
355.26477	0.7
367.26321	0.9
407.33295	1.5
417.31479	5.5
425.34091	0.8
435.32605	17.5
453.33835	5.6
471.34863	2.2
473.34161	2.0
491.35245	1.5
492.93628	0.8
509.36313	12.9
527.37335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3369
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
51.12495	0.6
53.03953	1.1
55.01879	1.0
55.05519	5.7
57.03441	1.6
57.07076	1.0
59.05000	1.7
60.59881	0.6
64.86843	0.7
65.81734	0.7
67.05515	19.5
69.03429	3.7
69.07081	1.7
69.76197	3.6
70.40863	0.6
71.05000	2.0
73.02976	0.7
75.04492	15.2
79.05504	6.6
81.03423	7.4
81.07066	7.8
82.37380	0.7
83.04999	1.7
83.08659	1.5
84.08155	0.9
85.02932	2.0
85.06579	2.9
89.76437	0.7
91.05489	9.2
93.07059	6.2
93.40461	0.7
95.04983	4.6
95.08636	3.3
97.02935	2.2
97.06567	1.2
97.10195	1.6
99.04490	1.1
103.05494	0.7
105.07047	8.2
107.05005	1.8
107.08607	4.1
108.05795	0.7
109.02906	1.5
109.06534	7.4
109.10168	12.5
109.10849	1.1
111.08093	10.7
117.07050	1.9
119.08582	7.1
121.06565	2.3
121.10170	1.8
123.08067	5.5
125.09656	1.9
127.03983	2.0
128.06198	0.9
129.07069	2.1
131.08560	4.4
132.69908	0.7
133.10146	10.4
135.08119	3.2
137.06058	0.9
137.09697	3.3
139.07671	1.0
142.07738	1.6
143.08638	2.9
145.10136	3.4
147.08083	1.7
147.11752	1.5
149.09677	2.2
151.07617	1.2
151.11275	1.2
153.09117	5.1
155.08617	0.9
155.10760	1.4
156.09378	0.9
157.10205	2.1
157.50824	0.7
159.08104	0.9
159.11751	1.1
161.09616	7.1
163.11276	2.8
165.09186	2.2
167.07214	0.8
167.08624	1.2
169.10272	2.4
171.11777	2.6
172.09013	0.9
173.09622	1.4
173.11780	3.4
175.11295	2.4
177.09212	1.1
179.08591	1.2
179.10765	1.3
180.09424	1.2
181.08705	1.1
181.10120	1.6
183.11729	1.7
185.09612	0.8
187.11206	1.7
189.09270	0.9
189.11304	1.8
189.12811	0.9
191.10782	1.5
193.10475	1.0
193.12354	3.2
194.11072	0.7
195.11815	2.2
197.13324	1.1
199.11276	2.0
199.15036	0.7
203.10799	1.4
205.12331	1.6
207.11916	1.2
207.13832	1.6
209.13443	1.0
211.11346	1.4
211.13260	1.1
213.12825	1.1
217.12332	0.9
223.11311	1.4
223.13358	1.3
225.12971	1.2
229.14406	1.2
231.13882	1.4
241.12419	0.9
241.15930	0.9
249.12871	0.9
251.14333	1.1
273.18683	1.1
283.17111	2.3
291.19681	1.5
299.14954	1.9
301.18231	1.6
347.22339	1.2
355.17487	1.1
365.23474	2.4
373.24039	1.5
383.24612	0.9
509.33081	1.5
527.34076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01869	4.9
55.05517	27.3
57.03451	10.3
59.04989	6.6
61.02933	13.9
65.03940	3.2
67.05511	100.0
69.03434	22.7
69.07069	11.1
70.06605	6.8
71.04986	8.9
73.02913	8.6
75.04476	9.1
79.05499	24.8
81.03423	39.3
81.07064	49.3
83.04967	10.4
83.08627	14.8
84.08163	2.5
85.02914	24.0
85.06534	4.0
91.03954	8.4
91.05496	29.9
93.07059	21.2
95.04993	13.9
95.08598	17.6
97.02906	19.9
97.06521	3.5
97.10197	12.4
99.04451	6.8
101.02357	3.5
105.07047	18.2
107.04963	9.2
107.08624	14.3
109.02869	13.3
109.06526	8.2
109.10168	72.1
110.22583	2.2
111.04458	7.3
111.08089	13.5
112.37940	1.9
115.05426	3.0
117.07066	10.2
119.04925	3.0
119.08604	27.0
120.93422	1.9
121.06509	7.0
121.10165	8.2
123.04425	3.6
123.08067	8.2
125.09652	12.0
127.03909	8.8
129.07021	7.2
131.08572	13.8
133.06502	3.6
133.10150	13.5
135.08037	6.5
135.11639	2.9
137.09616	7.6
143.08560	6.4
145.06459	2.8
145.10139	9.1
147.08058	10.5
147.11694	4.6
149.09616	4.9
151.07556	3.0
155.08444	2.6
155.10672	4.1
157.10101	5.3
159.08076	4.9
159.11691	2.9
161.09625	14.2
163.11206	8.2
167.08464	2.6
169.10184	2.1
171.08008	4.5
171.11719	7.0
173.09651	4.5
173.11772	20.9
175.11147	4.3
181.10147	2.9
183.11774	3.6
185.09561	3.3
185.13248	2.7
187.11221	4.2
189.11259	12.8
189.12746	2.3
193.12300	3.9
199.11182	2.9
205.12277	3.7
211.13234	3.4
223.13235	3.8
225.12793	2.4
227.12767	4.4
229.14328	4.0
232.68674	2.3
237.16530	2.6
245.19002	3.4
273.18536	52.8
291.19461	27.4
299.14926	9.1
315.19318	2.4
347.22171	6.6
355.17480	5.7
365.23254	69.3
383.24216	4.0
407.24301	3.3
455.23599	2.7
509.26843	2.8
527.27344	59.1
527.34253	25.3
535.59070	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22735	1.1
53.03931	3.8
53.57838	1.4
55.01873	10.0
55.05514	24.3
57.03446	10.2
61.02929	15.9
65.03929	1.8
65.62926	1.3
67.05510	27.7
69.03434	19.9
69.07075	13.6
70.06595	13.0
70.86280	3.1
71.04990	4.3
72.08164	2.1
73.02927	8.8
76.55093	1.1
78.65739	1.3
79.05494	30.0
81.03419	24.3
81.07061	51.9
83.05003	8.9
83.08631	10.1
84.04501	2.8
84.08152	6.9
85.02441	1.5
85.02910	18.4
85.06519	2.0
86.09702	3.9
87.04440	1.6
91.03975	9.7
91.04977	2.0
91.05489	25.9
93.07050	24.0
95.04978	14.4
95.08599	14.9
97.02898	16.4
97.06525	7.6
97.10179	11.9
99.04444	3.8
101.02377	3.0
103.05473	2.9
105.04494	1.9
105.07039	20.1
107.04954	12.3
107.08598	15.7
109.02875	5.6
109.06512	8.7
109.10162	12.5
111.04446	6.4
111.08073	4.5
113.05994	1.5
115.05447	2.1
117.07022	12.8
119.04922	2.8
119.07812	2.0
119.08581	25.5
120.08095	2.4
121.06507	10.5
121.10125	9.1
123.04408	2.1
123.08066	10.7
123.11678	1.7
125.09642	13.8
127.03938	8.4
128.06201	1.9
129.07014	7.5
129.10262	6.4
131.04883	3.0
131.08575	12.3
133.06514	7.2
133.10143	8.1
135.08057	10.0
135.11681	3.9
137.09604	5.7
141.06981	1.8
141.09154	1.5
143.08603	6.2
145.04933	1.9
145.06499	3.3
145.10112	13.4
147.08061	14.5
147.11668	3.1
149.09642	8.2
149.13228	2.0
151.07503	2.0
153.09102	2.2
153.12798	1.8
155.08459	3.0
157.06429	1.9
157.10156	6.4
159.08032	6.5
159.11722	7.7
161.09634	15.6
163.11200	15.0
165.09109	5.9
169.10086	2.0
171.08051	2.9
171.10307	1.3
171.11700	4.6
173.09555	3.6
173.13301	1.6
175.11131	6.0
177.09044	1.7
177.12796	3.1
181.10181	1.4
181.12265	2.9
183.06473	1.4
185.09581	2.9
185.13248	3.1
187.07538	1.3
187.11186	4.4
189.09132	2.5
189.11214	10.7
189.12767	2.8
191.10698	2.1
191.14236	1.7
193.12268	4.5
195.11681	2.2
197.13365	1.5
199.11172	2.3
201.09113	1.6
201.12758	1.6
203.14119	1.6
205.12267	2.7
217.15875	1.4
223.11058	1.7
223.13179	2.4
227.10777	1.4
227.12675	5.9
227.17986	2.3
231.13770	3.1
237.16502	2.2
243.13962	1.4
245.13763	2.1
245.19022	6.6
247.13324	1.3
249.14993	1.7
255.17384	4.4
267.12518	1.3
273.18500	64.8
275.19983	1.5
291.19553	38.9
311.19769	1.4
315.19556	2.9
339.19547	2.2
340.82922	1.4
347.22150	18.2
353.21359	1.5
357.20374	2.9
365.23245	100.0
371.22034	2.0
389.23407	2.2
399.21478	2.5
407.24106	3.5
417.22855	1.4
431.24338	3.6
435.23755	1.5
443.24380	2.0
455.24210	2.7
460.28955	1.6
461.25446	4.6
473.25171	4.9
491.26514	4.7
509.27856	6.3
527.29114	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01880	10.3
55.05519	17.2
56.82366	1.2
57.03437	8.4
61.02931	14.7
65.03940	1.9
67.05517	23.5
69.03158	1.3
69.03445	16.7
69.07071	12.8
69.25446	10.8
70.06596	8.0
71.04990	4.0
72.08168	1.6
73.02921	8.0
79.05073	1.9
79.05496	24.6
81.03427	16.0
81.07066	40.1
83.04994	6.1
83.08633	10.9
84.04507	1.4
84.08138	5.1
85.02914	17.0
85.06533	2.0
86.09718	1.6
91.03969	7.2
91.05493	22.8
93.07045	15.8
95.04987	13.7
95.08627	15.0
97.02381	1.5
97.02914	15.2
97.06533	6.7
97.10178	11.7
99.04453	3.8
103.03983	1.3
105.07047	17.1
107.04955	9.1
107.08599	12.3
109.02877	5.0
109.06510	5.9
109.10172	7.4
111.04430	3.4
111.08076	3.8
115.05473	2.7
117.07045	10.6
119.04933	2.6
119.08594	23.1
120.08090	1.3
121.06528	10.4
121.10150	8.5
123.04427	3.5
123.08067	9.7
125.09658	9.6
127.03924	6.9
128.06230	2.0
129.06989	7.6
129.10240	3.1
131.04918	4.7
131.08611	11.9
132.05684	1.7
133.06491	6.9
133.10144	8.6
135.04443	1.6
135.08061	7.9
135.11707	3.9
137.05984	2.0
137.09605	4.0
141.07045	2.0
143.08572	6.3
145.06458	4.0
145.10150	9.4
147.08076	11.8
147.11676	3.7
149.06099	1.5
149.09644	6.5
151.11198	1.8
155.08595	2.1
157.06528	1.6
157.10138	6.2
159.08049	5.4
159.11678	3.8
161.06030	1.8
161.09613	16.3
163.07462	1.8
163.11186	9.6
165.09096	3.8
169.10066	2.7
171.08057	2.3
171.10210	2.3
171.11638	4.8
173.09612	4.2
175.11227	4.4
177.12753	2.8
181.12285	1.4
185.09608	3.6
185.13315	2.3
187.11349	2.6
189.09148	2.4
189.11235	6.0
189.12724	2.6
191.10658	3.6
191.14233	1.6
193.12242	4.0
197.09708	1.5
199.11136	2.8
205.12134	2.8
209.11673	1.7
227.12756	4.2
227.17868	2.1
231.13792	2.3
235.14740	1.3
237.16208	1.5
245.13896	2.4
245.19003	6.2
255.17471	5.4
267.12231	2.5
273.18521	63.9
275.20087	1.7
283.15356	1.8
291.19614	23.4
295.37347	1.4
297.18787	1.5
315.19601	2.6
339.19568	1.6
347.22220	8.8
349.24063	1.5
357.20621	3.2
365.23273	100.0
366.24149	1.6
371.22165	1.5
377.23105	2.7
381.20599	1.8
389.23428	1.5
399.21732	2.3
407.24335	5.1
417.22522	1.9
419.24374	1.6
431.24188	3.6
435.23721	1.9
443.24295	2.0
455.24237	3.2
461.25272	6.5
473.25439	3.6
480.03525	2.0
491.26306	4.9
509.27448	6.0
527.29041	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32127	2.1
53.03931	5.0
55.01873	4.4
55.05520	18.0
57.03424	8.8
61.02932	19.6
65.03938	3.0
67.05511	65.5
69.03432	14.7
69.07074	10.0
71.05002	4.5
72.47538	2.0
73.02921	10.6
75.04485	5.6
78.90535	2.2
79.05500	29.8
81.03416	27.0
81.07061	46.9
83.04976	7.5
83.08650	10.0
85.02917	18.3
85.06547	3.0
91.03960	8.5
91.05482	28.1
93.07041	17.2
95.04964	12.9
95.08600	14.5
96.22966	2.3
97.02920	14.7
97.06551	5.2
97.10155	6.6
99.04453	2.8
101.02370	3.5
105.07034	18.2
107.04951	7.2
107.08600	15.8
109.02871	7.2
109.06516	7.8
109.10162	42.6
111.04411	6.3
111.08057	6.6
115.05454	2.2
117.07034	12.8
119.08598	26.2
121.06515	11.6
121.10108	6.9
123.08081	4.9
125.09641	7.1
127.03935	7.4
128.06221	2.1
128.98639	1.9
129.07010	8.2
131.08586	13.2
133.06500	5.5
133.10109	9.9
135.08060	8.0
137.09630	3.9
141.06999	3.8
142.07838	2.1
143.08562	10.2
145.06508	3.8
145.10123	12.8
147.08035	11.5
149.09633	5.7
153.09081	3.2
155.08644	3.2
155.10654	3.2
157.10149	7.5
159.08060	5.7
159.11720	4.9
161.09645	20.2
163.11154	6.8
165.09055	3.0
169.10094	4.6
171.11714	6.1
173.09659	2.3
173.11780	9.8
173.13112	3.4
175.11189	3.2
183.11864	3.0
185.13231	3.1
187.11275	2.9
189.11198	5.0
189.12726	2.7
193.12437	2.2
195.11737	4.2
197.13295	2.1
211.11162	3.2
211.13126	3.5
227.12851	3.6
227.18040	3.2
245.19095	4.9
255.17551	5.0
273.18506	68.5
275.20081	2.6
297.18265	2.1
299.14771	4.8
301.91321	2.1
333.73413	2.1
347.22192	6.5
355.17401	4.8
365.23251	100.0
374.24640	5.3
383.24103	2.7
473.24854	2.9
491.26669	3.6
493.95941	2.3
509.26743	2.8
509.36572	2.5
527.28314	41.3
527.36438	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.8
53.17836	1.6
55.01880	12.1
55.05518	27.8
56.05032	3.3
57.03180	1.7
57.03437	11.2
58.06618	1.8
59.04996	3.7
60.11462	1.7
61.02924	13.1
65.03918	2.5
67.05177	2.6
67.05508	33.3
69.03434	21.5
69.07075	20.9
69.17315	1.5
69.17651	17.6
70.06600	24.8
71.04985	6.5
72.08138	4.3
73.02917	9.6
79.05498	33.4
79.05930	1.2
81.02987	3.1
81.03421	33.7
81.06592	2.9
81.07059	49.0
83.04990	10.3
83.08630	11.5
84.04481	3.7
84.08142	15.5
85.02916	21.9
85.06553	2.4
86.07247	1.8
86.09692	6.9
91.03961	9.4
91.05484	31.2
93.07047	29.0
95.04977	16.9
95.08620	18.4
97.02899	20.3
97.06534	11.6
97.10178	18.3
99.04443	5.9
99.08134	1.8
101.02388	2.1
105.07031	27.3
107.04961	14.6
107.08594	19.0
109.02871	7.5
109.06528	11.0
109.10151	12.0
110.07165	3.2
111.04433	6.5
111.08060	5.5
115.05455	2.5
117.07015	14.0
117.07714	2.4
119.04909	4.3
119.08585	30.0
120.08090	5.0
121.06512	13.0
121.10171	11.3
123.04433	4.1
123.08091	14.5
125.09644	16.3
127.03952	11.0
128.06239	2.0
129.06992	11.9
129.10214	9.3
131.04942	5.5
131.08546	10.6
133.06499	10.3
133.10124	12.0
135.08075	10.9
135.11702	8.4
136.07600	1.9
137.05949	2.1
137.09627	8.9
142.07773	2.4
143.08543	7.7
145.05028	2.6
145.06480	6.5
145.10156	14.1
147.04472	2.6
147.08038	18.1
147.11678	7.6
149.09663	10.4
153.09096	3.9
153.12735	2.6
155.08351	2.7
155.24069	1.8
157.06500	2.6
157.10129	7.2
159.08022	5.5
159.11681	6.1
161.06010	2.2
161.09610	17.2
163.11203	14.6
165.09102	7.7
169.10130	3.6
171.08023	2.7
171.10201	2.2
173.09589	7.9
175.07600	2.0
175.11197	9.4
177.12709	3.0
183.06438	1.8
183.11674	1.7
185.09543	4.7
185.13283	2.8
187.11172	3.5
187.92278	1.8
189.09201	3.5
189.11226	11.0
191.10564	2.3
191.14342	2.8
193.12221	8.3
195.11591	2.2
199.11153	3.4
201.12869	2.1
205.12247	4.6
215.10674	1.8
219.10139	1.9
227.12712	11.9
229.12254	2.8
230.67422	1.8
231.10127	2.7
245.13829	6.3
245.18958	5.7
255.17435	5.1
263.19922	2.7
267.12329	5.1
269.11703	2.8
273.18497	74.8
279.15756	2.1
283.15378	2.5
291.19556	36.2
297.17017	2.7
315.19476	5.0
329.20792	2.0
339.19620	3.7
347.22156	15.1
357.20471	4.4
365.23236	100.0
377.23257	1.9
399.21271	2.4
407.24136	6.8
407.63449	1.8
431.24249	5.9
435.23633	5.6
455.24588	3.7
461.25250	8.2
473.25266	5.7
491.26266	6.0
509.27792	11.8
527.23480	7.9
527.28345	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	526.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66983	0.9
55.05507	2.9
57.07080	63.4
69.07076	6.5
71.08637	53.2
71.38913	2.1
73.06562	5.8
83.08618	3.2
85.10191	31.5
87.04467	3.5
87.87511	0.9
89.06039	100.0
90.39760	1.0
91.07574	1.5
97.10165	3.4
98.07722	1.1
99.11739	7.1
107.07078	1.5
111.11714	4.4
113.13306	6.3
113.13997	1.2
117.09133	4.0
117.60490	1.0
117.66029	0.9
120.78282	0.9
125.13290	1.8
127.14824	2.9
130.08646	2.6
131.07065	2.0
133.08615	69.3
177.11237	27.1
183.21077	1.8
221.13841	7.9
227.23772	2.0
239.14879	3.5
265.16504	1.9
271.26385	5.9
283.17502	4.1
309.19223	1.4
312.03845	1.1
315.29025	6.9
327.20178	25.7
383.19101	1.2
398.60175	1.2
421.35361	1.9
450.99829	1.1
509.40536	33.1
526.43073	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	526.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01882	6.1
55.05515	6.4
56.05017	2.7
57.03442	8.3
61.02930	2.8
67.05508	11.8
69.03428	8.5
69.07050	5.9
69.07389	1.3
70.06602	16.5
70.46105	2.7
71.04987	4.1
72.08146	4.4
79.05499	13.1
81.03425	24.5
81.07047	9.5
83.04979	18.1
83.08615	4.4
84.04504	3.8
84.08151	10.9
85.02904	8.7
85.06563	1.5
86.09715	6.5
91.05485	3.5
93.07042	13.8
95.04957	4.3
95.08620	8.7
97.02890	5.2
97.06518	7.0
99.04448	4.6
103.03939	4.3
105.07025	3.4
107.04957	10.8
107.08604	10.2
109.02882	6.4
109.06512	1.5
109.10143	5.9
110.07139	1.5
111.04460	14.8
111.08084	5.5
112.11247	2.7
117.06986	3.4
119.04955	1.5
119.08557	4.5
120.08082	3.1
121.10157	9.6
123.08049	3.3
125.05975	1.8
127.03883	8.6
129.07071	1.4
129.10213	4.2
129.13911	1.4
131.08574	2.7
133.10097	2.0
135.08086	2.1
135.11690	18.5
136.07552	1.4
138.12732	1.2
145.10167	7.9
147.04440	1.4
147.08090	1.4
152.32520	1.3
153.12749	34.8
163.11179	15.4
165.05415	1.5
173.09593	3.4
178.04865	1.4
181.04909	2.5
181.12253	18.0
183.06537	3.6
185.15344	1.4
191.10709	8.6
195.10217	1.3
201.07588	1.6
209.11713	4.5
213.08765	1.4
227.12785	21.5
283.15414	100.0
301.16364	7.2
319.71634	1.3
329.16019	1.6
353.15875	4.2
409.18616	6.5
427.19653	44.5
428.18250	1.7
445.20724	18.4
526.22858	1.6
526.41998	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01867	1.6
55.05513	7.1
57.03431	0.7
57.07056	1.6
59.04991	1.1
59.16542	0.6
67.05508	9.5
69.03429	7.7
69.07068	6.2
69.77956	2.6
69.78363	1.3
70.06580	3.4
71.04986	2.4
71.28275	0.6
73.02883	0.9
78.17101	0.7
79.05498	9.2
81.03411	4.2
81.07058	15.2
83.04975	8.6
83.08602	3.6
84.08155	1.5
85.02911	6.4
85.06547	3.3
87.00820	3.0
91.05481	6.9
93.06487	1.1
93.07044	14.9
95.04963	2.6
95.07999	0.7
95.08614	12.7
97.02888	2.4
97.06536	2.3
97.10168	1.3
98.20811	1.0
99.04465	1.5
103.05453	0.9
105.01871	1.2
105.07034	15.6
107.04960	2.6
107.08600	13.9
109.02883	2.2
109.06526	4.3
109.10165	15.2
111.08071	2.4
113.09650	6.2
117.07027	2.2
119.08585	20.3
121.06501	3.3
121.10146	22.1
122.07278	2.5
123.08046	1.9
123.11699	5.2
125.09624	3.0
127.03954	4.0
129.10211	1.1
131.08603	3.2
133.06506	1.9
133.10133	36.6
135.08047	2.1
135.11678	7.8
137.09624	25.4
139.11211	4.2
143.08571	2.3
145.04996	1.2
145.10127	4.5
147.08044	4.7
147.11694	7.5
149.02357	1.1
149.09607	4.4
149.13222	4.3
151.11194	9.6
154.86899	0.6
155.08501	0.8
157.10112	2.8
159.11678	3.2
161.09625	5.4
161.13254	4.1
163.11179	2.1
163.14825	0.8
165.12733	1.5
167.90228	0.8
171.11693	1.8
173.13301	1.3
175.11162	2.8
175.14832	20.8
177.12737	1.2
179.14261	0.8
185.13289	3.7
189.12762	2.3
191.14400	0.8
193.12271	0.9
193.15865	1.8
199.14853	1.9
201.16383	3.1
203.14281	6.3
217.15810	3.5
217.19461	1.7
219.17444	1.3
220.20103	0.7
221.15378	1.0
229.12267	0.8
241.19516	3.8
259.20566	29.5
277.21634	100.0
278.22318	0.8
289.21521	1.6
367.22665	1.3
385.23309	0.8
445.25714	1.2
489.24716	1.9
507.25165	0.9
525.26428	0.9
525.35425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05502	0.3
56.05028	1.3
57.07075	2.7
58.06570	1.4
59.07375	0.4
60.08168	15.9
67.05508	0.5
69.07061	0.7
69.15929	2.7
71.07378	6.5
71.08630	1.8
81.07045	0.6
85.10185	0.9
86.09711	48.4
92.39555	0.3
95.08614	0.9
97.10152	0.4
98.20822	0.8
98.98479	3.8
104.10751	100.0
109.10179	0.5
112.79820	0.3
125.00012	29.0
132.52795	0.3
163.01585	0.7
179.87358	0.3
184.07352	96.3
193.24594	0.3
211.40961	0.3
221.16827	0.3
258.11029	1.0
341.30521	1.5
447.29156	0.4
506.36124	9.3
524.37164	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	14.5
57.03428	2.6
57.07074	5.8
58.06594	1.4
59.05005	2.5
65.46848	1.3
67.05513	13.0
69.03427	4.3
69.07073	100.0
70.06599	17.4
71.05009	1.8
71.53056	2.1
79.05488	7.1
81.03411	2.4
81.07061	50.0
83.08617	8.5
84.04514	3.1
84.08157	7.7
85.02935	3.4
85.06534	5.1
86.09710	5.1
91.05480	5.9
93.07063	14.1
95.04980	3.7
95.08607	27.4
97.02895	2.3
97.06540	5.6
97.10183	4.6
98.09637	1.6
101.06029	1.7
105.07045	7.7
107.08616	11.5
109.06509	4.0
109.10177	19.0
110.07170	1.7
111.08094	2.0
111.11729	29.1
119.08587	6.5
120.08110	3.0
121.10147	11.7
123.08092	2.0
123.11706	32.5
127.03909	2.7
127.11208	4.8
129.10231	3.1
129.12735	2.8
133.10158	4.1
135.11694	6.6
136.07590	7.6
137.05922	2.1
137.09627	2.6
137.13290	4.3
139.11180	22.8
145.04897	1.6
145.10150	3.6
147.11728	3.5
149.09717	1.8
149.13284	8.7
151.11151	1.5
151.14825	3.4
153.12770	3.5
157.12230	7.1
159.11697	4.7
161.13275	5.1
163.14819	2.7
165.12799	3.0
171.13712	1.5
173.13289	2.6
179.14253	3.2
191.14311	1.7
194.01303	1.6
205.19611	1.6
213.12872	1.5
237.18590	4.4
271.24130	1.8
277.25186	3.6
285.09195	3.5
289.25241	7.9
295.26373	29.8
300.28436	1.7
307.26324	60.8
325.27399	30.4
343.28354	2.3
346.06778	4.5
361.09262	6.0
394.27173	1.8
523.21234	4.8
523.28931	2.5
523.37274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.145
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.40787	0.2
53.03955	0.4
56.05051	0.3
59.23200	0.2
61.02911	0.5
64.48937	0.2
69.03426	1.0
70.06592	1.9
70.51066	0.5
70.51427	0.5
72.08144	0.6
72.81820	0.2
81.03427	0.5
84.04510	0.4
84.08122	1.1
85.02901	3.1
86.09702	0.7
86.39236	0.3
91.03968	0.3
91.05510	0.3
97.02866	1.4
109.02879	0.4
110.07147	0.3
120.08070	0.4
122.60974	0.2
125.33598	0.2
127.03889	0.3
129.10248	0.6
130.11084	0.2
136.07588	0.3
137.06070	0.2
138.03098	0.3
139.00278	0.3
145.04945	0.4
147.04388	0.4
151.03928	2.2
151.23253	0.3
177.05513	0.9
181.04883	0.5
183.02899	0.5
199.02385	0.4
229.05101	0.4
232.03687	0.7
233.04477	0.4
243.02922	0.3
247.06046	1.3
257.04724	0.5
260.03033	1.1
261.04080	0.4
271.06012	0.3
271.34772	0.2
275.05469	5.6
287.05548	0.8
288.02753	0.5
289.07080	0.3
301.07040	0.4
303.04999	9.3
315.05038	0.3
316.02182	1.7
317.06537	0.3
329.06561	0.2
331.04474	22.6
345.05984	1.0
346.06836	41.8
347.07278	0.3
361.09167	100.0
362.09702	0.8
391.02695	0.3
457.76465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.32037	0.3
52.13192	0.3
55.05504	1.4
56.05027	1.3
57.03424	0.4
57.07077	0.6
58.06594	1.6
60.08165	14.7
67.05497	1.0
69.07079	1.9
70.42139	0.4
71.07378	5.2
72.65704	0.3
76.04458	0.3
78.22415	0.3
79.05468	0.3
80.43435	0.3
81.07059	1.4
83.08630	1.4
83.28195	0.3
86.09709	47.0
93.07036	0.8
95.08617	1.0
97.10172	0.6
98.21465	0.8
98.98463	3.3
104.10748	100.0
125.00010	26.6
135.28896	0.4
163.01572	0.9
184.07349	94.9
258.11038	0.8
260.53882	0.4
339.29108	1.4
359.27759	0.4
504.34467	9.0
504.41724	0.7
522.35583	41.8
523.35211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.145
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
69.03398	0.3
71.36758	0.4
94.28919	0.2
99.84266	0.2
135.04419	0.2
137.05878	0.3
139.00240	0.4
151.03918	2.3
167.47491	0.2
177.05505	0.6
183.02884	0.6
192.08716	0.2
199.02333	0.5
203.32770	0.2
205.04982	0.2
215.03497	0.4
219.06522	0.2
229.04953	0.3
232.03693	0.4
233.04451	0.6
242.54599	0.2
243.02872	0.4
247.05937	1.7
257.04471	0.7
258.05325	0.3
259.05988	0.2
260.03256	1.1
261.03864	0.5
273.07440	0.4
275.05527	6.1
285.03912	0.4
287.05460	0.4
288.02734	0.5
301.07104	0.2
302.04272	0.2
303.05005	10.5
315.04898	0.2
316.02121	1.8
317.06558	0.2
329.06564	0.5
331.04498	25.1
332.05112	0.3
339.03430	0.2
339.31384	0.2
345.06155	1.1
346.06848	47.1
347.07306	0.5
361.09180	100.0
362.09476	1.0
485.72693	0.3
523.14526	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	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
56.05025	0.4
57.03425	0.2
57.07066	0.2
58.06356	0.2
58.06626	0.3
60.08167	5.6
67.05499	0.2
69.07065	0.5
69.43953	0.9
71.07378	2.4
79.05487	0.2
81.07059	0.4
83.08634	0.2
86.09709	27.7
95.08643	0.2
97.10191	0.3
98.98466	2.3
104.10747	3.1
106.33351	0.1
107.08645	0.1
112.54118	0.1
112.68259	0.1
121.10195	0.2
125.00011	18.5
131.38165	0.1
168.45755	0.1
184.07349	100.0
185.07889	0.2
339.28909	0.1
500.87228	0.1
504.34482	1.2
522.35608	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	522.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37336	0.4
53.03941	1.1
55.01869	0.5
55.05276	0.8
55.05518	10.9
56.05041	0.5
56.87810	0.4
57.03205	0.5
57.03445	6.9
57.07070	2.1
60.07932	0.4
60.08168	4.3
61.08493	0.8
65.03954	0.6
67.05511	24.1
69.03426	0.5
69.07074	15.0
70.06571	0.6
70.56341	1.4
71.04984	1.0
71.07357	1.5
71.08626	0.6
71.21873	0.4
72.07678	0.6
79.05495	6.8
81.07063	23.9
83.04995	1.1
83.08626	7.8
85.06543	0.9
86.09230	0.7
86.09717	9.9
87.09539	0.4
87.10043	3.0
88.04000	5.0
88.15913	0.5
91.05492	4.4
92.86480	0.4
93.07058	7.2
95.04949	0.8
95.08620	18.7
96.08934	0.9
97.06534	1.6
97.10184	3.0
98.98476	5.0
104.10061	1.1
104.10758	20.8
105.07047	3.0
105.10443	0.5
105.11084	5.9
106.05016	1.6
106.11236	0.9
107.08585	4.1
109.06474	0.5
109.10159	7.7
111.08080	1.5
119.08587	3.3
121.10167	3.6
123.08111	0.5
123.11727	2.5
125.00017	5.6
126.00368	0.9
127.00451	1.5
133.10127	2.9
135.11678	1.6
142.05011	0.5
147.11713	1.7
149.02341	1.2
149.13318	1.0
151.14857	0.6
155.01073	0.8
161.13263	0.9
173.02153	1.7
175.14775	0.7
184.07356	15.2
185.07709	6.3
186.07782	4.5
193.04973	1.4
223.82123	0.5
227.58211	0.5
237.07544	1.4
245.22523	1.0
253.66656	0.4
263.23798	2.2
312.32751	1.0
337.27386	100.0
350.27026	1.6
504.33859	2.7
522.34808	12.3
546.98065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62522	0.3
69.68277	0.9
69.68694	1.5
75.44535	0.4
77.94780	0.3
78.37266	0.4
79.05509	1.1
79.46969	0.4
84.08192	0.4
85.02916	0.5
91.05485	0.9
93.07040	1.5
103.05475	6.9
107.04945	1.8
120.08118	100.0
121.08445	0.5
131.04948	2.3
147.04411	1.4
149.05952	2.1
163.03949	0.8
166.08656	51.2
167.08957	0.4
202.07443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01880	5.2
55.05514	22.6
57.03434	3.8
57.07077	1.1
59.05001	4.8
65.03947	2.7
67.05508	100.0
67.57603	0.7
69.03409	1.5
69.07068	11.0
69.43684	4.6
71.04991	5.6
73.02915	0.7
79.05024	0.8
79.05492	19.6
81.03432	2.4
81.07061	28.1
83.04991	7.3
83.08624	15.5
85.02898	3.3
85.06545	3.2
91.05485	18.8
93.07050	21.0
95.04974	31.6
95.08612	12.2
97.06509	4.6
97.10165	4.4
99.04453	5.4
99.08121	1.1
99.92776	0.7
105.07037	12.3
107.04965	4.7
107.08596	18.7
107.09309	1.1
109.06531	5.4
109.10162	63.8
111.04456	8.2
111.08100	5.3
115.05450	1.0
117.07026	5.2
119.08587	14.8
121.06562	3.1
121.10143	8.7
123.08067	3.9
123.11730	1.6
125.06026	1.2
125.09620	6.8
127.07461	0.7
129.07024	1.8
131.08582	8.6
133.06512	0.8
133.10136	6.3
135.08070	2.9
135.11707	4.6
137.09616	3.6
139.11183	1.4
143.08568	1.8
145.06554	0.6
145.10129	11.4
147.08073	2.7
147.11697	3.6
149.09628	15.6
149.13281	0.7
151.11244	0.8
153.09143	1.6
153.12715	0.8
155.08571	1.1
155.10696	3.3
156.09300	0.8
157.10159	2.0
159.11707	4.8
161.09579	1.3
161.13313	1.3
163.11179	13.1
165.12773	1.1
167.10635	0.8
169.10129	1.5
171.10286	1.1
171.11705	1.6
173.09634	0.6
173.10182	1.0
173.11763	13.4
173.13255	2.2
175.11176	1.6
175.14856	0.7
177.12790	1.6
181.12242	1.4
183.11691	0.8
185.13240	1.0
187.11230	1.7
189.11243	6.2
189.12758	1.1
191.10703	0.9
193.12315	1.1
197.13206	1.1
199.46016	0.7
201.12755	0.9
205.12198	3.3
211.13194	3.5
217.32510	0.7
223.13303	30.0
227.12869	1.8
229.14359	8.8
229.19511	1.7
239.18030	2.8
257.18976	4.7
275.20071	34.5
279.15903	1.2
293.21121	20.1
331.22794	0.6
349.23688	7.6
503.33948	8.7
517.22363	0.7
521.34808	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05572	0.9
52.82741	0.9
53.03928	2.0
55.01870	6.4
55.05515	23.0
57.03428	4.0
57.83670	1.0
58.35580	1.0
59.04992	4.0
61.36566	1.0
62.89423	1.1
64.05081	1.0
64.28023	0.9
64.97487	0.8
65.03934	3.7
67.05508	100.0
69.03426	2.1
69.07073	14.0
71.04996	5.3
77.03239	1.2
79.05065	1.7
79.05498	18.6
81.03407	3.4
81.07058	27.4
83.04984	8.6
83.08618	15.9
85.02899	2.8
85.06534	4.5
86.09690	1.3
88.96297	0.9
91.05492	17.4
91.54009	0.9
93.07049	19.9
95.04980	31.8
95.08607	13.0
97.06519	4.4
97.10183	5.8
98.07706	1.0
98.20802	2.4
99.04463	7.2
105.07034	12.1
107.04931	5.0
107.08598	19.0
109.06520	3.4
109.10163	58.8
111.04437	10.0
111.08079	6.4
116.07730	1.1
117.07021	4.2
119.08595	13.1
121.06478	2.9
121.10156	12.2
123.08002	2.0
123.11689	1.8
125.06000	1.1
125.09644	8.1
129.07039	1.6
131.08580	7.2
133.10141	7.7
135.08069	3.0
135.11703	4.3
136.61613	1.0
137.09633	3.8
139.11176	2.5
142.10699	1.1
145.10144	8.2
147.08070	2.0
147.11711	4.6
149.09630	16.6
153.12746	1.2
155.10707	3.5
157.10168	2.5
159.11728	3.8
161.13287	1.2
163.11177	13.8
165.12772	1.4
169.10167	1.5
171.11674	1.5
173.11746	12.1
173.13181	1.8
177.12810	2.3
181.12234	1.3
183.79332	1.3
184.07333	2.1
185.07687	2.1
186.07887	1.6
187.11261	1.7
189.11186	5.8
199.14813	1.3
205.12268	3.9
211.13304	3.6
223.13303	32.8
223.15477	1.7
229.14355	4.5
239.17891	1.5
257.19034	4.2
265.21753	1.1
275.20078	34.7
293.21124	20.5
311.22263	1.9
349.23788	5.6
351.29718	1.1
406.54401	1.4
503.33746	5.1
521.34772	92.6
522.35571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05223	0.1
55.05514	0.2
56.05033	0.4
57.03439	0.2
58.06309	0.1
58.06632	0.5
59.07386	0.2
60.08169	6.2
67.05505	0.6
69.07061	0.2
70.06591	0.1
71.06984	0.1
71.07380	2.9
75.55050	0.1
79.05505	0.2
80.97430	0.1
81.07059	0.7
83.04981	0.1
83.08628	0.1
86.09713	30.4
91.05486	0.1
93.07047	0.1
95.08607	0.3
98.21572	0.1
98.98473	2.9
104.10753	3.0
105.07036	0.1
107.08633	0.1
109.10181	0.1
109.67955	0.1
125.00014	21.3
143.01059	0.1
162.84622	0.1
166.06303	0.1
169.11993	0.1
184.07355	100.0
184.75049	0.1
185.07755	0.1
199.82353	0.1
238.24799	0.1
258.11050	0.2
275.19785	0.1
337.27374	0.1
415.67334	0.1
418.24103	0.1
502.32898	1.0
520.34027	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	521.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01864	9.2
55.05315	1.5
55.05518	18.1
57.03422	5.1
57.07081	2.7
59.05010	3.8
65.03944	3.4
67.05508	100.0
68.83173	1.6
69.03435	2.2
69.07073	9.5
70.01122	3.2
70.01511	5.6
71.04996	4.2
79.05498	21.9
81.03416	3.2
81.07059	31.0
83.04991	8.9
83.08617	16.6
85.02911	2.5
85.06537	4.3
86.09700	2.4
91.05487	18.4
93.07057	21.5
95.04980	31.8
95.08615	14.8
97.06509	4.2
97.10174	4.1
97.64873	1.7
99.04461	6.2
104.10753	6.2
105.07029	13.9
107.04949	4.0
107.08595	21.2
107.49393	1.7
109.06517	3.4
109.10162	65.8
111.04459	10.5
111.08065	5.5
117.07018	6.9
119.08591	14.8
121.06514	5.5
121.10149	11.8
122.28477	1.8
123.08054	3.5
123.11690	2.4
124.99982	2.1
125.09606	8.5
131.08553	12.1
133.10115	7.1
135.08052	3.6
135.11707	6.1
137.09602	3.2
139.11182	2.6
141.06897	1.8
143.08635	1.8
145.10132	10.9
147.08072	2.1
147.11681	7.3
149.09637	15.7
155.10690	3.7
159.11688	4.3
163.11218	12.9
167.10687	2.3
173.09557	3.0
173.11787	14.4
173.13107	2.7
177.12807	2.1
181.12267	2.0
184.07384	7.5
189.11185	8.6
193.12242	4.2
205.12254	4.7
211.13368	3.3
222.94446	1.9
223.13281	38.6
227.12830	2.0
229.14313	9.5
257.19055	6.1
265.81689	1.8
275.20071	36.3
275.22836	3.0
293.21170	22.6
349.23740	4.1
351.88626	1.9
503.33527	11.1
521.34827	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
54.23783	0.4
55.05499	1.4
56.05032	1.8
58.06612	0.8
59.07377	0.6
60.08165	16.8
67.05509	2.9
69.07063	1.5
69.16087	1.7
69.16513	3.0
71.07375	6.0
78.12113	0.4
79.05494	0.9
81.07065	2.4
86.09710	48.7
93.07027	0.6
95.08611	2.0
98.98473	3.4
104.10749	100.0
104.73593	0.5
120.21232	0.4
125.00011	26.9
163.01456	0.6
174.68985	0.5
181.02626	0.8
184.07350	96.7
242.48894	0.5
258.11075	1.6
263.30777	0.5
284.70206	0.5
337.27289	1.0
502.32913	8.5
520.34021	37.0
521.34064	1.0
529.27979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05032	0.6
57.03423	0.2
58.06630	0.5
59.07402	0.2
60.08166	6.5
65.47528	0.1
65.74805	0.1
67.05505	0.7
69.07049	0.1
70.06601	0.1
71.07375	3.2
71.44711	0.1
71.45081	0.1
79.05485	0.3
81.07069	0.4
86.09708	31.9
87.10010	0.1
91.05488	0.1
93.07039	0.4
95.08584	0.3
98.53184	0.1
98.98466	3.2
104.10749	3.2
104.11305	0.0
105.02501	0.1
107.08591	0.2
109.10124	0.1
120.30371	0.1
121.10162	0.1
125.00008	21.9
143.01073	0.1
145.51056	0.1
166.02560	0.1
166.06276	0.1
184.07344	100.0
185.07704	0.3
258.10980	0.2
335.25873	0.1
357.85022	0.1
500.31332	0.9
518.32428	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69595	0.2
53.70827	0.2
55.05503	0.6
56.05032	1.3
56.48202	0.2
57.03426	0.5
58.06320	0.3
58.06560	1.2
59.07401	0.4
60.08165	17.1
62.72337	0.2
65.03923	0.3
67.05511	2.8
69.07073	1.0
70.06602	0.2
70.67722	0.4
71.06983	0.4
71.07374	6.2
71.39918	0.2
79.05505	1.9
80.97414	0.2
81.07056	2.4
83.08607	0.2
86.09708	50.4
91.05475	1.0
93.07047	1.9
95.08617	1.7
98.98472	4.2
104.10746	100.0
105.07034	0.5
105.11086	0.3
107.08633	0.9
109.10165	0.5
119.08577	0.3
121.10133	0.6
125.00010	30.7
131.08620	0.2
133.10159	0.2
143.01106	0.2
145.10162	0.2
147.11751	0.3
157.47156	0.2
163.01585	0.8
163.29260	0.2
166.06406	0.3
181.02576	0.4
184.07343	97.3
185.07596	0.2
235.44806	0.2
250.87370	0.2
258.10992	1.1
315.76398	0.2
335.25861	0.6
500.31393	8.5
518.32452	33.0
519.32544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20636	0.6
52.91308	0.7
53.03941	1.4
55.01855	1.2
55.05516	11.3
57.03431	3.1
57.07061	1.5
61.57527	0.6
65.03945	1.6
67.05505	22.9
69.07064	10.6
71.04987	1.4
71.52390	0.8
76.91353	0.6
79.05497	15.5
81.07058	25.8
83.04964	1.2
83.08624	6.4
85.06561	2.0
91.05483	12.5
93.07047	22.5
95.04982	2.2
95.08608	19.7
97.06521	2.9
97.10175	2.5
98.05939	0.7
101.98978	0.7
105.07039	17.3
107.08595	15.2
109.06561	1.4
109.10164	9.6
111.08084	2.0
117.07049	4.6
119.08588	16.6
121.06551	0.9
121.10149	11.6
123.08105	1.0
123.11672	3.7
125.09641	1.0
129.07010	2.9
131.08568	11.7
133.10135	13.2
135.11702	9.1
137.13261	1.5
139.11179	0.7
143.08533	4.3
143.86713	0.7
145.10133	10.1
147.11693	9.8
149.09575	0.8
149.13274	3.3
155.08606	1.9
157.10114	4.6
159.11702	9.2
161.13301	5.0
163.11174	1.3
163.14854	1.8
165.12744	0.7
169.10173	2.5
171.11659	3.9
173.13254	7.6
175.14867	4.2
177.12840	0.8
177.16367	0.8
183.11755	2.6
185.13264	3.3
187.14841	3.7
189.12773	0.9
189.16379	1.1
195.11627	1.4
197.13290	1.7
199.14865	2.9
201.16348	1.9
207.11749	1.2
209.13239	1.3
211.14929	2.0
213.14745	1.0
213.16502	1.4
215.18027	1.2
217.15930	0.8
219.17488	0.8
221.13199	1.1
223.14972	0.9
225.16238	0.8
227.18071	1.1
233.18805	0.9
241.17883	1.5
251.20285	0.8
259.20670	2.0
273.22153	1.4
275.19995	0.8
287.23929	0.8
313.25354	1.3
317.24774	1.0
325.25015	0.8
327.26849	1.0
333.24231	1.4
349.24451	0.9
375.29187	0.9
391.29446	1.0
405.29852	1.6
407.33090	3.5
419.31516	1.3
425.34229	8.4
443.35196	4.5
446.83984	0.7
447.31229	1.0
458.97662	0.7
461.36295	0.8
499.37961	13.1
517.38995	100.0
518.39227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.12733	0.6
52.96236	0.6
53.03935	2.3
54.86603	0.6
55.01849	1.0
55.05518	9.2
56.90512	0.6
57.03442	3.3
57.07074	1.9
65.03941	1.4
67.05508	20.6
69.07072	8.9
70.97169	1.4
71.04990	1.8
76.92847	0.7
79.05491	15.4
81.07061	23.7
83.04963	1.4
83.08617	6.5
85.06534	1.2
91.04920	0.7
91.05480	13.8
93.07046	20.4
95.04965	2.2
95.08609	20.4
97.06535	2.6
97.10178	2.8
99.08119	1.1
105.07035	13.3
107.07890	0.9
107.08598	13.2
109.06522	0.9
109.10158	9.4
110.99163	0.8
111.08076	0.8
111.11706	0.9
115.05420	1.2
117.07018	4.7
118.98444	0.6
119.08582	15.4
121.10149	10.9
123.08095	0.7
123.11720	2.9
125.09621	0.8
128.06258	0.8
129.07039	2.4
131.08565	11.4
133.10133	12.2
135.11687	7.8
137.13222	0.7
141.07005	1.0
143.08568	4.0
145.10117	12.5
147.11674	10.0
149.09639	1.1
149.13286	4.5
155.08557	1.8
157.10115	4.4
159.11685	8.7
161.13274	5.4
163.11238	1.2
163.14862	1.2
169.10159	1.9
171.11707	3.4
173.09619	0.7
173.13295	5.9
174.57285	0.8
175.11095	0.7
175.14859	2.9
177.16472	0.8
180.93628	0.6
181.10068	1.5
183.11699	2.4
185.13289	3.5
187.14790	3.1
189.16394	1.4
195.11713	1.6
197.13277	1.4
199.14857	2.3
201.16495	1.8
211.14795	1.3
213.16423	1.7
215.17838	0.8
219.17426	1.2
225.16443	1.0
231.17564	0.8
233.13243	0.7
237.16510	1.3
238.08646	0.7
241.18001	2.5
255.21179	0.9
259.18176	0.8
259.20511	3.5
261.22141	0.9
273.22162	1.4
277.21936	0.8
285.22150	0.8
287.24091	0.8
297.69632	0.8
299.23706	1.5
301.25281	0.7
313.25314	1.5
317.24774	0.6
327.26770	0.7
333.24149	1.0
391.29138	1.1
405.29901	1.6
407.33142	2.6
425.34100	10.3
443.35321	4.8
447.31653	0.9
461.35684	0.8
499.37878	14.3
503.17270	0.7
517.38965	100.0
518.39270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01862	2.2
55.05510	22.2
57.03428	4.1
57.07074	9.8
61.02913	2.1
65.03938	3.8
67.05506	75.4
69.03416	5.8
69.07072	28.3
71.04974	1.8
71.08612	5.6
73.02892	1.9
75.04433	1.7
79.05070	2.9
79.05496	30.6
81.03413	4.2
81.07058	100.0
83.04946	4.4
83.08618	20.3
85.02901	3.4
85.06536	3.3
85.10165	1.7
91.05488	20.4
93.07046	34.0
94.53988	1.8
95.04953	4.2
95.08607	74.1
96.10469	1.9
97.02890	2.3
97.06549	7.9
97.10174	13.4
98.20750	3.8
99.08066	3.8
100.42562	1.4
105.07034	17.9
107.08598	21.8
109.06508	3.5
109.09473	2.7
109.10162	31.7
111.08076	4.2
111.11723	3.2
113.09655	3.3
117.07013	5.4
119.08569	17.3
121.10146	20.9
123.11707	17.2
125.09618	2.1
125.13268	1.7
127.11154	2.0
129.06966	2.3
131.08549	8.0
133.10123	15.1
135.08037	1.7
135.11681	13.9
137.09622	1.7
137.13257	8.2
139.11186	2.4
141.12749	3.1
143.08604	3.8
145.10123	5.5
147.11719	10.1
149.13243	11.0
151.11185	1.9
151.14798	6.8
153.12753	1.7
155.14305	3.4
157.10007	3.2
159.11682	4.8
161.13280	15.9
163.14783	7.9
165.12767	1.7
165.16380	7.8
171.11665	2.9
173.13235	2.4
175.11221	2.1
175.14793	10.6
176.34552	1.5
177.16492	3.2
179.14372	2.1
179.17966	7.1
181.15929	1.8
189.16376	4.7
193.15726	1.8
203.14178	2.0
203.17973	2.1
245.22652	48.3
263.23715	67.0
275.20200	1.8
288.53400	1.5
303.23193	2.4
337.27368	35.0
355.28424	2.2
358.15674	1.8
358.84113	1.7
371.25797	3.9
389.26892	3.5
407.28107	2.8
445.29596	2.8
481.31314	2.8
499.32843	6.7
517.35773	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	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03945	1.3
53.92665	0.7
55.01883	1.0
55.05514	10.3
57.03441	3.9
57.07071	1.4
65.03944	0.9
67.05510	21.7
69.07074	10.3
71.04990	0.8
79.05499	13.8
79.07905	0.7
81.07059	25.4
83.04964	1.8
83.08622	7.1
85.06544	1.2
91.05489	13.4
93.07049	22.5
93.07645	1.2
94.07407	0.6
95.04979	2.0
95.08613	22.1
96.34839	0.7
97.06538	3.0
97.10210	3.3
99.08118	0.8
105.07034	15.9
105.66580	0.6
107.08601	15.2
109.06465	0.9
109.10163	9.2
111.08089	1.7
117.01418	0.6
117.07025	6.5
119.08582	15.7
119.09366	1.0
121.10151	12.0
123.08125	1.1
123.11725	2.5
125.08769	0.8
125.09652	1.1
129.07039	2.9
131.08586	10.8
133.10144	13.2
135.08116	1.1
135.11682	6.3
137.09689	0.7
142.07832	0.8
143.08566	4.9
145.10120	13.4
147.11690	9.1
149.09695	1.0
149.13278	3.7
154.25677	0.7
155.08604	1.8
157.10120	4.8
159.11707	8.8
161.09561	0.9
161.13235	5.0
163.14853	2.0
167.08583	1.4
169.10147	2.5
171.11763	3.3
173.13229	6.1
175.14871	3.3
177.12764	0.9
177.16412	1.0
181.10121	0.8
183.11737	1.8
185.13277	3.3
187.14868	5.1
189.12833	0.8
189.16393	1.5
191.30669	0.7
195.11728	0.9
197.13362	1.9
199.14854	2.0
201.16479	2.1
205.15985	0.8
209.13307	1.8
211.14909	1.2
213.16534	1.5
217.15588	0.7
219.17564	1.1
221.13293	1.3
225.16351	1.2
231.17258	1.1
233.18997	0.9
235.17001	0.8
241.17871	1.9
245.19154	0.9
259.20676	2.4
261.21985	0.8
263.20221	0.9
273.22232	1.1
281.21652	0.7
285.22147	1.2
287.23660	1.5
299.23727	1.4
301.25281	1.7
313.25232	1.5
317.24835	1.0
329.24857	1.0
331.25986	0.8
333.24521	1.7
351.27237	0.8
393.32135	0.9
407.28073	1.0
407.33072	2.7
425.34314	7.3
443.35538	3.3
463.36301	1.0
478.77344	0.7
499.38007	14.2
517.38989	100.0
518.39313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
52.03145	0.6
53.03936	3.2
55.01869	1.2
55.05269	1.0
55.05513	12.4
57.03428	4.3
57.07079	1.7
65.03942	2.5
67.05505	41.6
69.07071	11.6
69.43009	1.5
69.43413	3.0
71.05001	2.5
77.03941	0.8
78.62589	0.6
79.05494	36.6
79.38052	0.7
81.03432	3.4
81.07060	28.9
83.04987	5.2
83.08624	4.5
85.06538	2.1
91.04908	1.0
91.05484	22.9
93.07045	40.3
95.04980	4.4
95.08607	18.0
97.06536	4.9
97.10175	4.9
99.08109	1.2
102.95554	0.6
105.04537	2.1
105.07037	15.1
107.04917	1.0
107.08594	21.3
109.06504	0.9
109.10157	7.6
111.08043	0.9
115.05480	0.7
117.07019	7.5
119.08586	12.3
121.06529	0.7
121.10143	11.2
123.11713	1.9
125.09636	1.9
128.06241	0.7
129.07008	2.7
131.08571	11.3
133.10127	8.8
135.08145	0.9
135.11697	28.7
136.84201	0.6
137.09599	1.0
141.06973	0.7
143.08568	4.8
145.10120	12.3
147.11688	5.6
149.13264	3.0
153.12740	0.8
154.48248	0.7
155.08527	2.0
157.10173	3.2
159.11703	7.3
161.13295	2.7
163.11194	3.2
163.14873	1.1
169.10167	2.2
171.11710	3.7
173.13243	4.7
175.14847	1.7
181.12224	3.5
183.11739	2.0
185.13280	3.1
187.13383	0.7
187.14911	2.2
195.11761	0.6
197.13261	2.0
199.14883	1.1
201.16420	1.6
209.13210	1.0
211.14827	1.0
213.16397	1.5
223.14880	1.0
225.01825	0.7
261.22144	2.7
271.20456	0.7
297.22449	0.8
299.23700	0.8
315.23035	0.8
317.24661	1.0
405.31442	2.7
423.32562	6.3
439.35593	0.7
441.33701	2.3
459.35181	0.9
497.36688	3.3
502.74167	0.8
515.37329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.03950	3.2
55.01861	1.5
55.05516	13.8
57.03442	5.0
57.07066	1.5
64.64716	0.5
65.03944	2.4
65.07588	0.4
67.05509	44.0
69.03421	0.8
69.07072	11.7
71.01344	1.4
71.04999	2.7
73.49943	0.4
77.03899	0.9
79.05499	41.9
81.03436	2.8
81.07061	30.6
83.04983	5.6
83.08624	5.1
85.06547	3.1
91.05488	25.3
93.07050	47.9
93.63229	0.4
95.04980	4.2
95.08617	20.0
97.06525	5.2
97.10168	6.1
99.04453	0.6
99.08079	1.4
100.62366	0.4
103.05453	0.9
105.04521	1.4
105.07036	13.4
107.04945	1.2
107.08603	26.2
109.06531	1.5
109.09467	0.8
109.10163	9.6
111.08080	1.6
111.11758	0.9
115.05474	0.6
117.07034	7.7
119.08592	10.9
121.06573	0.6
121.10152	15.4
123.08062	0.8
123.11694	1.3
125.09638	1.2
129.07001	2.9
130.07841	0.8
131.08574	10.3
133.10139	7.9
135.08092	0.8
135.11702	33.0
137.09641	1.2
137.13359	0.5
141.06995	0.9
142.07820	0.7
143.08586	3.3
145.10138	12.8
147.11668	4.7
149.13309	3.3
151.11221	0.8
153.12679	0.8
155.08556	1.0
157.10158	3.5
159.11722	6.1
161.13312	3.1
163.11172	4.2
169.10185	1.3
171.11710	3.6
173.13295	4.2
175.14847	1.5
181.10190	0.7
181.10643	0.7
181.12253	5.3
183.11688	1.7
185.13293	1.8
187.14801	2.7
195.11728	0.8
197.13335	1.2
199.13235	0.9
199.14867	1.8
201.16455	0.9
209.13226	1.0
211.14958	0.7
241.19705	0.5
243.21057	1.0
244.42165	0.5
255.16019	1.0
259.20584	0.6
261.22131	3.5
297.22195	0.5
299.23682	0.9
313.25427	0.6
315.23190	0.6
317.24716	1.3
317.38760	0.5
329.24707	0.5
405.31668	1.3
423.32593	5.1
441.33688	2.2
459.34613	0.6
479.35306	0.5
497.36349	2.8
501.62692	0.5
505.24802	0.5
515.37354	100.0
516.37616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
54.42725	0.6
55.01876	1.2
55.05274	1.2
55.05516	15.0
57.03440	4.4
57.07076	1.6
59.76729	0.6
60.83212	0.6
65.03931	2.0
67.05511	32.8
68.03065	0.6
69.03393	0.7
69.07077	10.9
71.01379	1.4
71.04991	1.7
71.08619	0.6
71.53456	1.0
77.03915	0.7
78.11792	0.6
79.05501	29.3
81.03423	1.2
81.07066	24.6
83.04984	3.0
83.08642	3.8
85.06543	2.2
91.04897	1.0
91.05489	19.1
93.07053	31.1
95.04974	3.2
95.08617	17.1
97.06538	4.5
97.10182	5.0
99.83315	0.6
103.05488	0.9
105.04520	0.8
105.07040	14.1
105.53726	0.6
107.08606	17.8
109.06548	1.1
109.10165	6.5
111.08100	0.8
115.05476	1.0
117.07029	8.6
119.08595	12.9
121.10153	9.8
123.08113	0.9
123.11684	1.7
125.09684	0.9
128.06209	1.6
129.06995	4.1
129.07909	0.6
131.08588	12.5
133.10139	7.6
135.11696	17.0
139.11134	0.7
141.07031	1.9
142.07788	1.1
143.08562	6.7
145.10139	12.0
147.11688	4.0
149.13271	1.8
155.08557	2.1
157.10139	4.7
159.08102	0.9
159.11702	7.9
161.13281	2.4
163.11243	1.8
163.14777	0.9
167.08650	0.7
169.10161	3.0
171.11765	3.8
173.13281	5.9
175.14948	1.0
181.10135	1.4
181.12303	2.3
183.11731	3.7
185.13277	3.7
187.14850	3.0
195.11716	1.2
197.13339	1.7
199.13246	0.8
199.14864	2.8
201.16402	1.1
209.13327	1.3
210.35933	0.7
211.14941	1.6
213.16457	1.5
221.13245	0.8
223.14952	0.8
225.16376	1.4
227.18144	0.8
243.21031	0.7
251.17888	0.8
259.20825	0.8
261.22287	2.4
269.19308	0.9
285.22205	1.0
299.23932	0.7
317.24658	1.0
353.25073	0.9
387.30304	0.7
405.31607	2.0
423.32635	8.6
441.33691	2.1
479.35037	1.1
497.36145	4.8
515.37384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17666	1.7
53.03944	4.4
55.01875	3.1
55.05275	2.0
55.05515	21.9
57.03452	10.8
57.07065	4.2
61.02912	5.6
65.03938	2.7
67.05510	88.6
69.03407	8.1
69.07075	18.7
69.85314	5.7
69.85725	3.1
71.04988	3.7
73.02898	3.3
75.04460	2.0
77.77241	1.6
79.05499	56.8
79.77251	1.5
81.03403	4.9
81.07065	100.0
83.04964	3.9
83.08627	10.6
85.02917	8.6
85.06541	2.8
89.40401	1.5
91.03955	2.4
91.05489	34.1
93.07050	71.8
93.07643	3.8
95.04986	7.8
95.08615	79.7
97.02898	5.1
97.06532	6.0
97.10153	5.3
99.04417	1.8
99.08046	1.5
105.04508	1.9
105.07035	26.0
107.08601	41.4
109.06503	9.1
109.09474	2.7
109.10165	38.0
111.08070	4.1
117.07020	14.0
119.08597	23.2
121.06551	2.7
121.10147	40.4
123.08064	4.4
123.11723	16.2
129.07010	3.5
131.08594	27.4
133.10129	18.8
135.08064	4.4
135.11702	32.2
137.09630	4.5
137.13255	7.1
139.11188	2.9
143.08530	3.5
145.04982	2.6
145.10126	21.7
147.11711	14.9
149.13290	19.9
151.07545	2.4
151.14867	2.0
157.10118	5.0
159.11682	16.5
161.13295	12.7
163.11194	2.7
163.14850	13.1
165.12762	3.3
169.10170	2.3
171.11707	1.5
173.13264	14.5
175.11234	1.9
175.14825	4.2
177.12804	2.3
177.16359	4.7
179.14310	2.4
183.11746	1.9
185.13281	2.2
187.14838	10.9
189.16415	1.8
195.11858	1.6
195.13707	1.6
199.14867	3.4
201.16412	4.7
205.15906	1.9
233.22638	4.1
243.21140	20.5
259.20609	1.9
261.22162	69.4
279.23181	3.1
317.24496	2.6
335.25845	24.7
345.24414	3.1
353.26865	18.4
363.25119	2.2
369.24255	3.5
387.25256	3.2
419.27820	4.6
449.28436	1.7
461.29178	2.9
479.30396	2.0
497.31189	9.5
512.38196	1.8
515.38184	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46143	1.9
53.03942	5.1
54.97373	1.8
55.01879	2.8
55.05508	21.6
57.03434	8.0
57.07062	6.1
58.19993	1.9
60.03023	1.8
61.02921	5.0
65.03947	3.9
67.05508	94.6
69.03423	6.2
69.07078	20.4
69.81944	9.1
71.05003	4.6
77.03927	2.3
79.05495	62.1
81.03414	4.6
81.07059	100.0
83.04985	4.1
83.08620	6.8
85.02892	6.0
85.06542	3.9
87.71612	1.8
91.05482	43.3
93.07050	78.0
95.04970	8.1
95.07988	4.1
95.08609	83.8
97.06538	8.0
97.10155	5.4
99.08104	4.7
105.07040	29.5
107.05001	2.3
107.08598	50.7
109.06497	5.1
109.10167	42.8
111.08095	6.2
113.09628	2.6
113.10368	1.9
117.07026	16.5
118.69321	2.1
119.08586	28.1
121.10146	41.6
123.04487	2.1
123.08092	3.0
123.11721	19.8
125.09647	3.5
129.06996	5.9
131.08575	30.3
133.06467	2.8
133.10126	23.3
135.08041	3.2
135.11690	32.9
137.09573	4.6
137.13263	7.8
139.11205	3.3
143.08607	4.2
145.10130	25.9
147.08037	2.9
147.11720	15.1
149.09644	4.4
149.13264	24.5
151.11191	2.2
151.14870	2.9
153.12811	2.3
155.08505	3.0
157.10185	5.7
159.11711	21.2
161.13229	15.7
163.11139	2.5
163.14850	17.1
165.12691	3.0
171.11642	3.5
173.13268	22.2
175.11079	2.1
175.14748	3.3
177.12733	3.1
177.16422	5.8
185.13283	4.1
187.14839	8.9
191.14433	2.6
192.14053	2.1
199.14821	2.8
205.16000	2.8
211.15015	2.8
215.17894	3.1
233.22545	3.6
241.15900	2.6
243.21069	35.8
261.22137	97.2
279.23215	3.4
301.21497	2.6
303.23242	4.2
335.25888	11.9
345.24249	3.6
353.26840	20.1
369.24261	5.4
377.70309	2.5
387.25339	2.4
405.26474	3.6
419.27890	6.5
431.28284	2.5
461.28793	4.3
479.29803	3.1
497.30930	9.1
515.36829	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.0
55.01870	7.7
55.05516	28.9
57.03425	13.5
60.56737	4.9
61.02927	5.1
67.05503	84.5
68.44290	4.2
69.03422	5.6
69.07055	18.6
70.07506	15.4
75.04527	4.9
79.05497	58.9
81.03424	7.5
81.07059	100.0
83.04974	6.3
83.08604	17.1
85.02885	14.3
85.06522	5.3
91.05498	38.8
93.07050	61.5
95.04964	8.0
95.08051	7.8
95.08609	74.8
97.02856	5.5
99.08046	4.6
105.07031	29.2
107.04926	6.3
107.08598	44.0
109.06512	18.1
109.10181	32.2
117.07017	12.4
119.08579	26.7
121.06490	5.4
121.10162	28.6
123.08076	7.5
123.11716	12.1
129.06920	6.7
131.08548	15.7
133.10118	19.2
135.08089	6.0
135.11678	27.1
143.08551	14.2
145.10106	23.3
147.11650	9.4
149.13210	19.4
157.10127	7.6
159.11665	17.9
161.13235	11.8
163.14783	8.0
169.10118	6.1
173.13214	17.3
187.14815	13.4
197.13286	5.1
243.21089	11.6
261.22174	60.8
286.34109	5.6
301.21509	8.5
303.81345	4.9
314.21609	5.0
335.25766	21.8
353.26840	13.4
369.24191	9.9
374.06412	4.5
387.25064	6.3
404.67197	5.5
419.27945	6.3
419.94934	4.7
479.30069	7.7
497.31155	16.8
515.26263	12.5
515.33063	6.4
522.58948	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01848	5.1
55.05523	25.2
57.03430	10.4
57.07073	4.6
58.98166	3.9
59.98175	3.8
61.02922	8.7
65.03929	7.7
67.05508	89.8
69.03414	16.6
69.07069	31.5
69.33786	24.2
69.34191	10.1
71.04994	8.3
73.02924	5.0
79.05497	68.3
81.03410	14.8
81.07061	100.0
83.04970	5.0
83.08593	12.6
85.02898	15.8
85.06546	8.9
87.03793	4.2
91.05486	46.0
93.07042	76.7
95.04969	14.4
95.08617	76.6
97.02885	9.4
97.06496	12.8
97.10161	9.4
98.31435	4.3
99.08082	5.4
103.03942	6.2
105.07033	39.0
107.04944	6.9
107.08593	53.7
109.06530	13.7
109.10153	33.6
117.07021	26.4
117.23282	4.2
117.75348	4.3
119.08594	41.7
121.06549	6.2
121.10136	37.1
123.11694	14.3
127.03889	6.2
128.06206	5.7
129.06993	10.7
131.08580	33.4
133.10127	34.3
135.08055	8.0
135.11685	34.1
137.09589	5.6
137.13231	4.7
141.06985	5.6
143.08522	18.0
145.10161	25.7
145.30260	4.6
147.08058	5.6
147.11682	27.1
149.09651	7.6
149.13211	16.7
157.10121	7.7
159.11691	33.2
161.09644	6.0
161.13248	19.3
163.14819	12.6
169.10115	6.0
171.08035	5.6
171.11652	12.3
173.13239	15.2
175.14857	7.8
177.16376	7.1
183.11765	8.9
185.13303	7.9
187.11171	6.1
187.14787	11.9
201.16461	7.3
243.21095	28.4
261.22137	64.8
285.22263	5.1
301.21490	6.6
303.23248	7.6
335.25626	11.8
345.24359	8.6
353.26837	29.0
369.24136	6.9
377.26797	6.4
387.25461	7.2
405.26331	5.8
419.27856	9.8
461.28983	10.9
479.29892	7.4
497.31366	20.8
505.42545	5.4
515.36646	17.5
515.98010	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03941	2.5
55.01849	1.2
55.05512	7.1
57.03426	5.1
57.97791	1.2
61.02933	13.9
62.38501	1.2
62.38823	1.1
63.52273	1.4
65.56039	1.1
67.05178	1.7
67.05507	20.2
69.03423	2.8
69.07076	8.1
71.04990	2.3
73.02903	3.1
74.22374	1.2
79.05500	28.1
81.03410	2.5
81.07062	25.6
83.08607	3.3
85.02904	8.9
91.03954	5.9
91.05483	24.1
93.06493	2.2
93.07045	38.5
95.04986	3.1
95.08613	20.4
97.02888	8.0
97.06519	1.4
97.10177	1.7
99.28068	1.2
105.07037	32.4
107.07890	1.7
107.08597	24.2
109.06519	3.1
109.10181	8.3
117.06323	1.2
117.07037	7.4
119.08579	27.8
121.10136	21.6
123.11674	2.0
125.09649	1.4
129.06989	5.9
131.08577	13.3
133.10136	21.3
135.11693	18.1
137.09659	2.0
138.34743	1.3
141.06955	2.1
143.08548	7.4
145.10100	11.7
147.11688	19.1
149.09647	1.7
149.13232	11.3
155.08569	1.7
157.10109	8.4
159.11662	11.0
161.09634	1.3
161.13249	17.8
163.11137	1.8
163.14818	4.8
171.11620	8.5
173.13281	6.6
175.11218	3.0
175.14833	10.8
177.12733	1.9
181.10025	1.2
183.11745	2.6
184.12463	1.4
185.13223	8.3
187.14923	1.7
189.12825	2.2
199.14851	3.5
203.14287	1.6
213.16415	2.4
217.19446	3.2
221.15491	1.6
221.66064	1.3
229.41710	1.3
231.17337	1.9
231.21117	4.1
235.16948	1.7
241.19478	20.9
259.20563	42.7
277.21674	7.0
287.19867	1.5
301.21640	1.4
333.24307	7.6
349.23718	2.6
351.25299	100.0
361.23819	1.8
363.25409	2.6
367.22360	2.8
375.25217	3.2
385.23740	2.5
417.26343	1.6
423.24997	1.4
429.26370	1.5
441.26172	5.8
459.27307	4.5
477.28680	2.5
495.29462	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	515.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85652	0.6
53.03934	2.0
55.05515	3.0
56.52765	0.6
57.03402	0.6
57.07042	1.0
61.02921	0.7
63.18653	0.5
65.03922	1.6
67.05479	1.8
69.03152	0.5
69.03439	6.7
69.07056	2.8
69.85199	1.6
69.85604	1.4
70.06600	5.3
71.04983	0.8
72.08171	3.0
73.42710	0.5
76.27467	0.5
79.05493	8.9
81.03410	2.6
81.06659	0.7
81.07069	8.7
83.04986	2.7
84.04493	1.1
84.08156	6.2
85.02441	0.9
85.02910	11.2
85.06558	0.8
86.09706	4.7
91.05479	6.1
93.07031	5.4
95.04967	1.5
95.08594	2.3
97.02908	3.6
97.06487	0.7
99.04464	6.2
103.03950	14.3
105.07035	6.5
106.47504	0.5
107.04962	5.2
107.08599	25.1
109.02892	4.1
109.06510	2.3
109.10175	5.7
110.07188	1.7
115.05465	1.4
117.07026	1.7
119.08625	2.9
120.08084	2.4
121.06497	2.4
121.10160	10.0
122.07291	4.9
123.08053	2.0
127.03925	17.1
129.10271	2.9
131.08589	2.3
133.10139	100.0
134.66418	0.6
135.08067	8.1
135.11668	1.4
136.05017	0.7
136.08853	0.6
137.09627	51.0
145.03920	1.0
145.04968	10.8
145.10118	1.5
147.11684	2.5
149.09651	1.6
149.13278	10.2
153.71506	0.6
158.10889	1.4
163.06018	8.9
163.14832	1.8
173.13274	6.1
181.04932	1.1
187.06000	1.4
191.14317	96.2
205.07129	1.4
209.15337	4.9
228.40756	0.6
239.07936	0.7
249.14627	1.0
253.06970	0.6
264.14697	0.7
267.15771	2.4
271.08112	1.8
289.09119	1.4
295.15228	2.0
307.10208	2.1
312.09857	1.0
313.08228	0.9
353.10327	0.8
354.10501	0.6
372.12018	2.6
400.11728	1.8
411.20184	1.1
429.20996	3.5
471.22000	11.0
472.32184	0.7
472.82242	1.1
515.21075	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01864	2.8
55.05517	9.5
57.03438	3.8
61.02927	14.4
63.08929	1.6
67.05508	23.6
69.03428	5.7
69.07056	6.8
69.49677	7.2
69.50089	2.7
71.04989	1.5
73.02914	5.8
75.04496	2.4
79.05495	29.6
81.03415	5.1
81.07064	29.9
83.08616	5.3
85.02902	11.5
85.06547	3.1
91.03957	7.4
91.05488	32.5
93.07045	37.7
93.07638	1.9
95.04977	3.8
95.08607	19.0
97.02906	9.5
97.06526	3.6
97.10196	1.8
105.07034	34.1
105.07702	2.8
107.04958	1.6
107.08604	21.9
109.06505	3.2
109.10155	8.2
111.08051	1.5
112.06918	1.4
117.07053	11.1
119.08592	30.5
121.06522	1.8
121.10153	18.7
123.08064	2.2
123.11707	2.6
124.98651	1.3
127.03853	2.3
127.15858	1.5
129.06995	7.7
131.08566	16.9
133.06506	1.5
133.10133	26.0
135.11693	16.9
137.09561	1.5
141.06960	2.9
143.08557	8.9
145.10126	19.1
147.08086	1.7
147.11713	30.1
149.13281	9.8
155.08562	3.2
157.10141	12.7
159.11664	13.2
161.09711	1.7
161.13263	23.9
163.11235	3.3
163.14842	3.8
169.10130	4.6
171.11670	8.6
173.13252	7.3
175.11226	1.7
175.14798	13.0
177.12764	1.9
177.16374	1.6
181.10086	1.8
183.11697	2.3
185.09729	2.5
185.13297	7.7
187.11229	1.5
187.14879	3.6
189.12819	1.7
197.13329	1.7
199.14798	6.1
201.16357	1.6
203.14273	1.7
209.25726	1.4
213.16470	2.2
215.18111	1.9
226.89665	1.4
227.14131	1.9
231.17462	2.2
231.21140	4.2
241.19545	21.6
249.93562	1.4
259.20587	50.8
271.20627	2.3
277.21848	2.1
301.21768	2.3
333.23965	2.5
349.23712	5.2
351.25314	100.0
363.25076	3.7
375.25174	2.8
385.23624	1.6
387.25171	1.3
393.26788	1.6
395.74689	2.0
403.24518	2.0
417.26431	3.8
429.26431	2.1
441.26471	5.7
459.27344	5.7
477.28079	3.4
495.29349	5.3
501.73581	1.4
513.31061	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	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03932	3.6
55.01861	1.6
55.05509	10.5
57.03426	3.8
57.07066	2.8
61.02927	11.4
65.03947	1.1
67.05508	22.0
68.46468	1.0
69.03416	4.0
69.07064	8.3
71.04981	3.5
71.52720	1.5
73.02897	4.0
75.04468	1.8
79.05495	32.0
80.60536	0.9
81.03424	2.5
81.06601	1.7
81.07062	29.2
83.04986	2.1
83.08611	5.4
85.02903	10.5
85.06537	2.8
91.03981	6.8
91.04917	1.4
91.05486	30.0
93.07048	46.6
94.67896	1.0
95.04951	4.3
95.08611	22.5
97.02893	7.1
97.06534	2.6
97.10167	2.0
99.04458	1.3
99.08092	2.3
101.80628	0.9
105.07037	34.7
107.04957	1.1
107.08600	26.1
109.06490	2.8
109.10146	9.6
111.08049	1.5
113.09677	2.0
117.07017	8.9
119.08586	28.2
121.10143	20.9
121.94263	1.2
123.08071	3.0
123.11758	2.2
125.09625	1.5
127.03953	2.1
128.06192	1.3
129.07001	7.0
131.08588	12.9
133.10138	27.0
135.08051	3.4
135.11690	21.6
137.09645	1.7
141.06996	1.5
143.08549	7.9
145.06439	1.5
145.10129	14.5
147.08060	1.8
147.11688	24.2
149.09647	2.6
149.13280	12.9
151.50072	1.1
155.08542	1.6
157.10149	7.4
159.07935	1.5
159.11707	12.9
161.09715	1.9
161.13260	21.5
163.11166	2.1
163.14824	4.6
167.08507	1.1
169.10153	2.5
171.11700	8.4
173.13258	9.3
175.14851	9.3
177.12794	2.4
183.11646	2.1
185.13205	8.0
187.11150	1.1
187.14772	2.8
189.12753	2.2
191.14333	1.8
196.09180	0.9
197.13203	1.5
199.11076	1.5
199.14816	4.9
204.93779	1.1
213.16386	2.6
217.15962	1.2
217.19505	2.8
231.17476	1.3
231.21051	6.0
241.19531	20.0
259.20581	48.4
260.80591	1.0
273.22131	1.3
275.20294	1.6
277.21628	8.1
283.20514	1.3
301.21564	1.6
315.23068	1.1
325.21686	2.1
333.24329	8.5
349.23950	2.5
351.25308	100.0
361.24118	1.2
363.25259	1.2
367.22464	1.5
375.25464	2.8
385.23489	1.6
417.26294	1.9
429.26251	1.6
441.26166	5.7
459.27115	3.2
477.28296	3.9
495.29596	3.1
513.35217	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01878	1.9
55.05508	9.1
57.03429	4.8
57.07077	2.3
58.31205	0.8
61.02927	11.8
67.05502	24.9
69.01598	0.9
69.03419	5.3
69.07064	7.3
70.02782	3.3
71.01361	0.8
71.04979	2.3
73.02921	5.3
79.05492	33.9
81.03415	3.7
81.07056	25.9
83.04985	2.3
83.08597	3.9
85.02903	12.7
85.06538	3.0
88.28680	0.7
91.03951	6.0
91.04907	1.6
91.05480	32.2
92.08333	0.8
93.07044	36.8
95.04974	3.3
95.07993	1.2
95.08607	18.8
97.02885	9.1
97.06520	2.5
97.10134	1.3
99.04429	1.6
99.08095	2.6
101.02367	0.8
103.05437	1.0
103.91454	0.7
105.04540	0.9
105.07034	39.9
107.04987	1.5
107.08592	23.9
109.02908	1.0
109.06512	3.0
109.10170	6.2
111.08098	2.3
113.09676	1.3
117.07008	12.3
119.08585	34.7
121.06503	1.3
121.10145	19.4
123.08051	2.2
123.11670	2.0
125.09660	1.3
127.03924	1.5
128.06244	1.7
129.07016	7.7
131.08566	15.6
133.10138	29.2
135.08025	1.9
135.11688	18.1
137.09541	2.2
141.06990	1.9
142.07776	1.0
143.08563	9.3
145.04967	1.8
145.10123	18.5
147.11694	29.2
149.09595	2.7
149.13266	11.9
155.08559	2.1
157.10120	8.8
159.11700	13.8
161.09573	2.1
161.13264	22.9
163.11191	2.8
163.14832	4.8
167.08528	1.6
169.10109	2.5
170.10928	0.9
171.11697	9.5
173.13246	8.7
175.11206	1.5
175.14821	10.3
177.12798	1.3
177.16339	0.9
183.11697	2.4
185.13255	9.7
187.11143	1.0
187.14832	2.2
189.12750	2.0
191.14285	1.5
197.13275	1.4
199.14827	4.8
203.14348	1.5
211.14709	1.0
213.12784	1.0
213.16397	2.3
215.17937	1.2
217.15897	1.0
217.19608	1.8
219.13928	1.0
231.17438	1.2
231.21104	5.2
241.19521	20.5
257.19025	1.5
259.20587	58.4
261.22101	1.2
271.20575	1.7
273.22195	1.1
277.21683	2.5
283.20636	1.3
289.21457	1.2
301.21524	2.4
313.21606	0.9
325.21793	1.2
333.24396	1.6
335.49402	0.8
339.23352	1.5
349.23996	4.2
351.25290	100.0
363.25308	3.0
367.22745	3.6
375.25342	2.7
385.23462	2.2
403.24738	1.7
417.26392	1.9
421.25525	1.4
429.26184	2.4
441.26477	6.1
459.27472	6.1
477.28635	4.4
495.29636	4.3
513.31036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.05516	12.4
57.03431	2.9
59.05006	6.4
60.04525	2.6
61.02926	10.4
67.05505	24.3
69.03431	6.2
69.07066	10.8
70.06605	3.4
71.04984	6.2
73.02927	3.8
75.04483	10.8
79.05495	34.6
79.25102	2.5
81.03421	5.8
81.07064	31.1
83.04997	5.3
83.08635	5.6
84.08138	8.1
85.02909	11.4
85.06567	3.5
86.09686	5.9
91.03960	3.1
91.05490	32.4
93.07049	47.8
95.04985	4.9
95.08614	27.7
97.02898	5.3
97.06535	4.1
99.04486	2.9
105.06397	4.8
105.07040	41.6
107.08595	31.0
109.06519	13.3
109.10162	8.8
111.04460	3.4
111.08113	5.4
113.06020	2.9
114.06780	6.1
117.07018	11.4
119.08598	32.7
120.08177	3.7
121.10142	29.1
123.08052	6.6
129.07004	9.4
131.08569	26.6
133.06531	3.7
133.10117	22.5
135.08058	5.5
135.11697	21.1
137.09602	5.0
139.07501	3.6
143.08565	12.0
144.09329	3.2
145.10136	43.5
146.57201	2.9
147.08060	7.3
147.11702	27.2
149.09561	4.1
149.13278	9.4
151.07587	7.1
157.10135	8.7
159.11713	12.0
161.09612	14.1
161.13231	20.1
163.11206	7.0
163.14798	3.5
169.10182	5.8
171.11742	10.5
173.09624	7.1
173.13254	7.4
175.11192	5.3
175.14821	10.8
176.11954	3.9
177.12814	5.6
181.12279	3.5
183.11688	3.9
185.13208	7.5
187.11215	9.1
189.12749	4.2
195.11688	3.3
205.12161	5.6
207.13702	3.3
211.11345	2.9
219.13763	29.2
223.13214	3.5
227.14330	3.4
229.40382	3.4
231.13918	3.0
241.19589	11.8
259.20605	42.1
277.21512	5.2
333.24329	5.5
351.25314	100.0
363.25760	2.7
367.23074	3.8
375.25165	3.2
400.98340	2.8
441.26300	5.5
495.29736	5.6
513.32507	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	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.02389	0.6
52.51579	0.7
53.03937	2.1
55.01863	1.4
55.05516	7.8
57.03442	5.6
57.07072	1.5
59.45509	0.7
61.02931	9.5
65.03938	1.1
67.05508	19.1
67.26092	0.6
69.03433	3.6
69.07065	7.6
71.04991	1.6
71.52700	0.9
73.02906	3.2
75.04474	1.0
77.03948	0.8
79.05499	28.6
81.03414	1.7
81.07061	25.6
83.04982	1.9
83.08619	4.0
85.02913	9.6
85.06541	1.9
91.03969	5.4
91.05487	22.6
93.07052	37.0
95.04964	3.2
95.08611	15.3
97.02892	6.6
97.06528	2.2
97.10159	2.2
99.08092	1.8
103.03983	1.0
105.07042	28.6
107.04964	1.0
107.08601	24.1
109.06519	1.3
109.10172	6.7
115.05419	0.8
117.07011	8.2
119.08590	26.9
121.06527	1.1
121.10152	21.4
123.08051	1.4
123.11744	1.9
125.09659	0.8
127.03922	1.6
128.06247	0.9
129.05457	0.8
129.07022	5.6
131.08574	13.7
133.06435	0.9
133.10138	22.0
135.08084	2.4
135.11703	20.8
137.09669	1.2
142.07814	1.2
143.08595	4.8
145.04921	0.7
145.10130	13.9
147.08049	1.5
147.11694	22.3
149.09648	1.8
149.13268	14.4
151.11163	0.7
153.09174	0.7
155.08559	1.5
157.10152	7.2
159.11710	10.2
161.09641	1.3
161.13264	17.6
163.11163	1.6
163.14825	3.9
167.10725	0.7
169.10121	1.8
171.11708	8.8
173.13261	7.7
175.11191	1.3
175.14838	9.4
177.12805	1.9
177.16345	0.9
183.11661	1.4
185.13289	7.7
187.11256	0.8
187.14836	2.6
189.12781	1.7
191.10840	0.7
195.11816	0.7
197.13426	1.2
199.14809	3.7
201.16368	0.9
202.27615	0.6
203.14230	1.2
213.16364	2.2
215.18040	1.3
217.19514	1.1
219.13875	0.7
223.86150	0.7
231.17508	1.7
231.21109	4.0
241.19533	17.9
250.79247	0.8
259.20602	42.7
271.20633	1.4
275.20120	1.0
277.21704	6.3
283.20618	0.8
301.21613	0.8
325.21756	0.8
327.93063	0.7
331.23004	0.8
333.24249	8.8
349.24115	3.7
351.25314	100.0
352.25421	1.1
363.25198	1.8
367.22684	2.3
375.25345	2.3
385.23590	1.3
388.71487	0.7
417.26089	0.7
429.26404	1.7
441.26312	5.0
459.27432	3.8
477.28653	3.0
495.29559	4.7
513.31110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06221	1.2
54.53951	1.1
55.05520	6.4
57.07082	60.2
59.05003	1.7
64.77562	1.2
67.05506	3.4
69.07076	8.3
70.06578	3.1
71.08640	45.0
73.06568	4.7
79.05486	2.5
81.07082	3.8
83.04971	2.3
83.08625	4.5
84.35978	1.1
85.10194	32.2
86.37888	1.3
87.04490	2.5
88.07642	4.0
89.06040	100.0
91.05486	4.7
93.07053	5.1
95.08639	2.8
97.06555	1.8
97.10168	5.9
98.20705	1.9
98.29425	1.4
99.11734	10.7
102.09187	3.1
103.03941	1.3
105.07035	4.0
106.77847	1.4
107.08601	2.6
109.06529	31.1
109.10141	1.6
111.11729	5.3
113.13313	4.0
117.06983	1.9
117.09151	5.7
119.08601	3.7
121.10178	1.3
123.08085	2.0
125.06028	4.0
130.08633	1.8
131.08632	2.0
133.08618	67.6
133.10168	2.0
135.11705	1.6
143.08571	1.7
145.10130	2.9
147.08052	1.5
151.07568	3.0
157.10161	2.9
159.11690	1.5
161.11786	1.2
163.11182	3.8
165.09160	1.7
169.10089	1.7
169.19518	3.4
171.11719	1.8
177.09702	1.5
177.11237	28.9
177.12711	2.2
181.12251	7.2
207.13835	1.5
213.22173	2.2
221.13731	7.6
221.15645	1.7
227.14331	2.6
229.60754	1.5
239.15034	3.3
256.26392	9.4
257.24792	6.7
262.67520	1.4
283.17532	4.1
283.26404	9.4
301.27484	8.4
327.20154	24.2
343.22552	1.8
365.16580	1.5
407.33798	1.6
421.30270	1.5
435.29004	19.5
451.36041	2.9
486.34290	1.7
495.38934	41.8
512.41644	6.4
512.50348	24.7
513.35437	4.8
513.73993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.9
57.07080	39.2
58.06602	0.6
67.05520	1.2
69.07069	3.9
70.06609	4.5
71.08636	29.8
73.02900	1.2
73.06560	6.6
78.00665	0.6
81.07056	1.5
83.08626	2.4
85.10189	17.7
87.04482	3.8
88.07642	5.9
89.06038	100.0
91.07599	0.9
93.07047	0.8
95.08613	1.5
97.10154	3.7
99.11736	4.5
102.09184	4.7
105.07053	0.7
107.07077	1.3
109.10201	0.7
111.11710	2.2
113.13293	2.5
117.09155	4.0
127.14835	0.9
130.08636	2.5
131.07080	1.0
133.08612	52.1
135.10210	0.7
161.11732	1.2
169.19559	3.2
177.11238	20.6
213.22124	3.1
221.13884	5.5
228.23277	1.0
239.14880	1.8
256.26367	16.2
257.24786	8.9
283.17667	3.0
283.26334	17.2
301.27423	8.2
309.19086	0.9
311.29608	1.4
327.20096	17.9
336.18051	0.7
407.33755	1.2
422.55988	0.8
451.36563	1.2
495.38971	24.3
512.50421	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
55.01870	1.7
55.05514	5.5
57.03436	7.5
57.07065	1.4
59.05016	1.1
61.02921	3.4
67.05504	22.7
69.03423	5.2
69.07069	7.3
70.06580	1.2
71.04996	4.8
71.08595	1.0
71.15640	1.5
73.02915	1.9
79.05494	12.9
81.03418	5.5
81.06591	1.7
81.07056	31.8
83.04983	4.7
83.08621	6.4
84.08154	2.1
85.02905	5.5
85.06576	1.8
91.03996	1.3
91.05480	10.3
93.06487	1.6
93.07045	24.2
95.04978	3.3
95.08608	11.2
97.02883	3.2
97.06509	5.6
97.10162	1.2
97.66671	0.8
99.04465	2.0
99.08102	3.2
103.03934	1.9
105.07050	5.7
107.04940	2.5
107.08597	10.7
109.02920	1.8
109.06503	2.1
109.10143	3.7
111.04423	1.8
111.08099	3.2
116.11543	0.7
117.07031	6.3
119.08572	3.5
120.08066	0.9
121.06482	1.9
121.10148	6.9
123.11671	1.6
127.03917	2.5
127.13842	0.9
129.05499	1.2
129.06999	1.6
131.04999	1.3
131.08592	6.6
131.19087	1.0
133.10117	7.0
135.11696	5.3
145.10149	1.2
147.11667	2.0
147.83157	0.8
149.09720	1.0
149.13269	12.9
151.11212	0.9
159.11697	19.1
161.13281	5.0
165.12825	0.9
169.10239	0.9
175.01178	0.8
176.97148	0.8
177.12738	23.6
179.14330	12.9
183.06546	1.0
195.13789	5.9
213.14908	1.0
215.14240	1.1
233.15332	1.3
251.16414	5.4
257.10651	0.8
257.19376	1.0
269.17480	100.0
279.23224	1.5
285.58194	0.9
286.20163	2.1
315.13626	1.7
350.24249	1.7
353.27011	1.3
371.28049	5.7
377.19583	2.3
395.20526	1.4
413.21677	7.5
431.22781	4.1
448.25516	2.4
512.29456	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	512.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17548	1.2
53.03945	1.8
55.01883	2.3
55.05527	8.2
57.03452	7.5
58.80011	1.2
61.02916	2.4
62.07412	1.2
65.03925	1.2
67.05513	26.1
68.05785	1.1
69.03425	5.5
69.07072	9.2
70.06605	1.9
70.89727	1.8
70.90052	2.1
71.01378	1.7
71.04994	2.8
72.08150	1.8
73.02940	1.8
79.05498	17.9
80.05807	2.2
81.03435	8.6
81.07062	32.5
82.07410	1.5
83.04994	4.9
83.08629	7.5
84.08156	2.6
85.02905	5.7
85.06577	1.9
86.09708	2.7
90.29096	1.4
91.03962	2.1
91.05511	9.8
93.07052	25.7
95.04971	4.5
95.08631	8.2
97.02885	5.8
97.06551	5.6
99.04460	2.2
99.08077	3.7
105.07031	5.8
107.04987	2.2
107.08591	12.5
109.02895	2.0
109.06561	1.5
109.10184	4.0
111.04494	2.2
111.08097	3.9
117.07048	6.6
119.08613	3.1
120.08052	1.8
121.06514	3.1
121.10149	6.1
123.11652	1.6
127.03906	2.5
129.05452	1.3
129.10262	1.9
131.08582	5.6
133.10127	7.7
135.08061	1.7
135.11729	4.0
137.05959	1.5
145.10173	2.4
147.11714	1.7
149.09622	1.5
149.13264	14.0
159.11720	20.4
177.12772	23.0
178.13095	1.4
179.14351	6.3
184.07286	1.8
194.15439	1.8
195.13918	5.9
211.11026	1.4
218.81909	1.3
233.94447	1.3
251.16370	7.0
252.33112	1.3
269.17505	100.0
275.20172	1.5
276.20511	2.9
286.20126	2.4
315.13873	1.7
339.18149	1.4
350.24030	3.5
377.19766	2.4
395.20255	2.0
413.21875	13.0
448.25610	1.9
499.82135	1.4
512.29224	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.3
55.01885	21.2
55.05517	28.7
57.03433	33.8
59.04978	4.4
59.69150	4.2
61.02929	20.9
64.84850	3.8
67.05507	67.0
69.03427	47.4
69.07069	35.9
70.85670	4.1
71.01343	4.4
71.04973	9.6
71.52651	6.0
73.02905	17.4
78.75480	4.5
79.05496	48.8
81.03432	45.3
81.06597	5.6
81.07060	100.0
83.04987	25.2
83.08614	17.5
85.02908	41.6
85.06516	4.8
91.03942	15.8
91.05473	62.7
93.07052	69.9
95.04958	15.5
95.08610	56.2
97.02898	35.6
97.06528	29.9
97.10157	11.7
99.04424	12.3
99.08060	5.9
103.03938	5.0
105.07041	45.2
107.04934	19.1
107.08578	44.0
109.02856	14.5
109.06502	9.5
109.10152	22.3
111.04440	6.4
111.08085	9.4
117.07008	26.3
119.08586	44.4
121.06487	10.4
121.10146	21.5
123.08055	14.2
125.09630	5.3
127.03917	31.4
129.05495	4.3
129.07001	12.2
131.08588	36.0
133.06459	4.8
133.10138	36.9
135.08072	6.5
135.11681	11.3
137.09587	11.6
143.08577	12.9
145.04936	11.7
145.10130	33.6
147.08052	6.1
147.11690	19.1
149.09589	17.0
149.13240	14.7
151.11214	5.1
157.10071	10.5
159.11685	32.7
161.09605	6.3
161.13251	6.5
163.11191	12.9
166.91676	4.4
169.10081	7.8
171.11778	5.2
173.04405	8.9
173.09531	5.0
173.13226	13.4
175.11211	4.9
177.12729	6.0
177.57794	4.1
183.06544	8.8
183.11699	7.9
187.11157	6.2
195.13808	10.9
197.13202	6.7
219.17383	23.8
239.17899	6.4
240.26840	4.0
247.20641	5.7
257.19034	19.6
259.20767	4.3
261.87204	4.4
269.17413	16.2
275.20090	91.8
291.19656	6.4
293.21033	6.4
297.16968	7.0
306.95389	4.6
331.22867	5.3
349.23737	86.6
407.06335	4.4
413.21701	16.7
457.25931	5.0
466.46967	5.0
475.27069	6.3
493.27908	11.5
511.29034	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.8
55.01680	2.9
55.01879	32.9
55.05513	29.1
57.03445	26.0
61.02933	18.8
67.05503	60.0
69.03432	33.7
69.07073	27.5
69.36329	28.8
71.04968	9.6
71.08627	3.5
73.02901	12.3
74.55322	3.6
79.05505	47.4
81.03424	40.3
81.07058	73.0
83.04971	15.1
83.08615	12.9
85.02908	38.1
87.04480	4.5
91.03940	11.3
91.05485	57.0
93.07043	53.2
95.04957	16.0
95.08611	41.5
97.02882	35.7
97.06534	52.3
97.10191	7.1
99.04446	12.0
99.08065	5.2
101.02370	7.2
105.06407	4.4
105.07039	53.0
107.04943	15.6
107.08604	30.8
109.02864	13.7
109.06503	11.9
109.10162	21.8
111.04426	8.2
111.08044	6.8
117.06998	21.4
119.04933	4.1
119.08572	33.5
121.06525	8.7
121.10144	26.6
123.08062	7.2
123.11697	5.3
125.06062	3.8
125.09601	5.2
127.03933	16.5
129.05482	6.2
129.06993	8.6
131.08539	24.7
133.10150	33.8
135.08046	7.7
135.11682	13.4
137.09599	8.6
141.06978	5.0
143.08556	14.7
145.10121	23.4
147.08072	5.7
147.11673	22.1
149.09628	13.2
149.13226	11.8
157.10164	7.8
159.11696	18.3
161.09663	7.5
161.13213	4.3
163.11154	8.5
169.10175	7.3
171.11658	8.5
173.04515	6.0
173.09637	6.0
173.13280	9.4
175.11214	6.3
177.12779	8.8
179.14297	8.2
183.06483	4.9
183.11728	4.9
185.13167	4.2
195.13847	8.4
197.13319	6.4
219.17430	12.7
229.14435	5.1
239.17931	7.8
247.20540	7.0
257.18976	16.6
264.95288	3.6
269.17447	14.4
273.18744	3.5
275.20102	100.0
291.19659	3.9
293.21036	8.6
349.23810	61.3
377.23373	5.0
391.24567	4.6
413.21439	6.9
493.27820	8.1
511.28964	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
57.07080	29.9
58.49053	0.7
62.30942	0.6
67.05508	1.1
69.07075	3.9
69.26998	5.9
71.08637	30.3
73.06561	6.7
83.08633	4.7
85.10187	19.9
87.04469	3.0
89.06036	100.0
91.07600	1.3
97.10169	5.0
99.11744	2.0
107.07074	1.2
110.11639	0.6
111.11728	2.9
113.13275	1.4
117.09136	2.9
125.13294	1.8
127.14819	1.4
130.08649	3.2
131.07056	1.0
133.08612	47.9
141.16393	1.4
177.09689	1.1
177.11229	19.2
195.12312	2.4
211.24229	1.6
221.13930	2.9
239.14986	2.3
255.26938	2.0
283.17526	19.8
299.29428	8.0
309.51077	0.7
343.32010	3.4
405.35715	0.8
449.38623	1.3
453.60629	0.7
493.41006	29.5
510.49521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05517	5.1
57.03442	3.3
57.06796	1.8
57.07081	36.4
61.02917	3.4
66.55469	0.9
67.05511	9.7
69.03415	1.6
69.07073	7.9
69.14971	0.9
69.15287	11.4
71.08634	28.1
73.71854	1.1
75.04497	2.0
79.05515	1.6
81.07068	15.6
83.08618	10.0
85.02895	3.3
85.10192	16.7
86.09737	1.2
91.03936	1.8
95.08614	26.5
97.02925	2.0
97.10175	6.6
98.20671	1.6
99.11759	1.5
104.10710	2.0
105.07020	1.2
109.10180	11.5
111.11737	2.5
121.10157	1.1
123.11737	4.7
127.03877	1.3
137.13261	1.9
145.05008	0.9
151.14815	1.1
184.07408	1.7
217.11794	1.1
221.22696	1.1
237.80936	1.1
239.23705	27.5
257.24802	3.8
313.27390	100.0
331.28394	21.8
401.29071	2.3
510.36240	2.2
518.36670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3555
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.80376	0.3
55.05505	1.2
56.05030	1.4
57.03453	0.5
57.07075	3.8
58.06603	1.4
60.08166	17.3
61.02098	0.3
61.73885	0.4
67.05495	1.5
69.07063	1.3
71.07382	6.4
71.08637	2.2
81.07047	1.9
83.08607	1.0
85.10179	1.5
86.09710	50.0
88.30965	0.3
93.07040	0.8
95.08624	2.0
97.10159	0.6
98.21542	0.9
98.98467	4.4
100.09538	0.4
103.91596	0.3
104.10747	99.1
109.10172	1.0
112.46258	0.4
117.29528	0.3
125.00009	27.5
163.01622	0.7
184.07346	100.0
185.07690	0.4
239.23683	0.4
258.11099	0.8
313.27423	1.4
327.29007	1.7
337.27518	0.5
338.27759	3.0
338.31543	0.5
341.48273	0.4
492.34460	9.7
510.35587	44.3
511.35574	0.5
531.40918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43126	1.1
55.01875	4.7
55.05518	6.2
57.03435	3.3
60.04524	1.4
61.02959	1.4
62.43166	1.3
66.62112	1.3
67.05500	4.9
69.03437	2.0
69.07076	6.1
70.06587	6.5
71.08661	1.7
71.51989	1.2
72.08154	5.6
73.02946	1.6
79.05498	6.4
81.07066	21.2
83.04979	2.1
83.08623	3.8
84.04511	1.6
84.08138	10.3
85.02904	4.4
86.06068	1.8
86.09715	12.7
89.73190	1.3
91.05489	4.3
93.07055	5.2
95.04987	2.4
95.08612	7.6
97.02909	3.1
99.04493	1.6
99.08065	1.9
104.10750	9.6
105.07043	4.2
107.08595	5.4
107.51225	1.4
109.06538	9.0
109.10184	4.4
110.07154	2.3
111.04443	17.1
111.08095	10.0
117.06952	1.4
119.08610	4.7
120.08116	6.2
121.10171	5.4
123.08064	3.1
123.11699	2.5
125.00038	3.7
125.05975	3.0
127.03937	2.3
129.10243	5.1
131.08548	2.1
133.10156	5.6
135.08061	2.8
135.11693	4.5
136.07562	2.0
137.05994	100.0
137.09663	1.7
143.08525	1.7
147.08087	2.4
147.11714	5.3
149.09657	6.6
151.07573	3.4
151.11133	1.7
155.14326	12.8
155.44463	1.3
157.10164	2.6
159.11774	2.6
161.09631	6.5
161.13336	2.4
163.11203	3.6
165.09152	2.0
167.10664	1.8
170.69559	1.4
173.13322	1.7
175.11229	4.0
179.10580	2.8
181.12207	1.5
183.13789	10.3
184.07332	6.9
189.12865	3.1
201.14905	6.0
203.18004	4.9
213.16457	3.7
221.19037	1.8
223.14850	1.4
231.17482	8.6
238.41527	1.2
241.15889	2.6
245.17516	2.0
249.18507	7.0
256.96957	1.4
277.18024	44.7
295.19083	7.0
304.64615	1.5
320.22223	3.8
351.21698	58.4
369.22739	34.5
444.91064	1.6
492.23776	4.1
510.27975	2.6
510.35452	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	509.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
54.79509	0.3
55.05510	0.7
57.45185	0.4
65.03965	0.6
66.04723	0.6
66.26367	0.3
67.05522	0.4
69.03432	0.7
70.06608	2.9
71.52220	0.4
72.08150	1.3
79.05494	1.4
81.03432	0.9
81.07049	0.9
83.62766	0.3
84.04490	0.5
84.08169	1.6
85.02923	1.7
86.09715	2.3
90.40948	0.3
91.05496	4.5
93.07041	0.6
94.02029	0.3
94.04198	3.7
94.45166	0.3
95.04987	1.3
97.02898	1.6
99.04469	2.1
103.03942	1.2
103.05469	0.8
105.07043	4.9
105.55588	0.4
107.04969	2.5
107.08604	0.5
109.02889	2.3
109.06565	0.9
109.83203	0.3
110.07205	0.7
112.08721	0.3
117.07037	0.5
119.04957	2.6
120.08134	1.7
121.06572	0.4
121.10184	0.3
122.03676	6.8
127.03938	5.8
129.07007	0.5
129.10249	1.0
129.11330	0.3
131.04942	0.7
133.06522	0.4
133.10133	0.4
136.07616	0.6
137.05998	100.0
138.06355	0.7
141.07062	0.3
143.08606	0.4
145.04990	1.0
145.06491	0.6
145.10187	0.3
147.04462	0.5
149.05992	0.5
151.03873	0.5
151.07561	8.2
153.05550	0.4
153.07005	0.6
155.08641	0.4
159.08026	0.4
161.05994	0.4
163.06122	0.8
163.07565	1.1
169.06564	0.8
170.07341	0.3
171.08095	0.7
173.09613	0.4
175.07544	0.7
177.05435	0.4
179.07135	0.5
181.05016	0.8
181.06526	2.0
185.05824	0.4
186.06790	0.6
187.07585	1.1
189.09164	1.3
198.06848	0.9
199.07654	0.8
200.08316	0.4
201.09157	2.0
203.08653	0.6
203.10565	0.7
211.07564	1.1
212.04778	0.6
213.09151	3.8
215.10817	0.7
217.10304	0.5
218.07303	0.5
219.10242	0.9
225.09158	0.6
229.04958	1.0
229.10356	0.4
231.08067	0.8
231.10202	1.4
233.09634	0.4
234.06897	0.5
245.09653	1.4
247.07547	0.6
247.09705	1.3
248.08354	1.5
249.09009	0.4
249.11354	0.4
257.09671	1.5
259.07483	0.7
259.09784	5.1
260.08383	0.4
261.09070	0.7
263.07053	0.4
263.10651	0.5
265.08801	0.7
271.07919	0.7
272.08389	0.5
273.09164	1.4
274.09967	0.9
275.10675	0.8
276.07956	1.1
277.08688	1.5
277.12137	0.8
283.09708	1.3
285.09048	0.9
287.07224	0.4
287.10568	0.6
289.08865	0.9
289.12085	0.8
290.09290	0.8
291.10193	4.1
293.08102	0.6
293.11734	0.5
297.11331	0.4
302.09424	1.1
303.10147	1.1
305.11603	2.4
307.09845	0.9
307.13156	0.6
308.10425	0.5
309.11182	1.1
317.11795	2.9
318.12415	0.4
319.09760	0.4
321.11249	1.2
322.12009	0.6
323.12808	1.3
332.05453	0.7
334.12067	0.8
335.12915	1.6
337.14337	2.4
341.13797	1.6
347.07709	2.5
347.11267	0.6
349.14386	3.4
351.04120	0.5
353.13937	2.1
355.15448	13.1
367.15460	8.3
377.08810	0.4
385.16394	1.8
393.15436	0.5
441.16986	0.7
459.17636	0.5
461.19562	0.6
473.19635	5.8
491.20795	6.3
509.12717	0.4
509.22720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1299
Annotation	Myricetin 3',4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
58.19880	0.1
69.47030	1.0
70.06596	0.5
72.66652	0.2
81.07073	0.2
84.08144	0.3
86.09708	0.3
86.98864	0.2
87.70374	0.1
100.79692	0.1
110.03713	0.2
119.04967	0.1
119.49397	0.1
120.08067	0.2
123.04501	0.3
129.10304	0.2
136.01633	0.2
137.02354	4.0
137.03363	0.2
137.05989	0.3
138.03156	0.2
139.00313	0.4
147.76010	0.2
163.03941	0.6
181.04889	0.2
183.02922	0.6
187.03999	0.3
191.03386	0.4
212.04636	0.5
215.03331	1.1
219.02968	0.8
233.04472	0.7
240.04321	0.4
243.02881	1.4
244.03697	0.3
247.02428	0.4
257.04495	1.0
258.05319	1.2
259.06039	0.7
261.04144	0.4
271.02435	0.4
272.03073	0.2
275.05539	0.5
286.04791	0.7
287.05460	0.8
289.03455	9.7
301.03589	0.3
303.05026	0.5
304.05594	0.2
315.05029	0.5
317.02948	21.1
318.03314	0.3
331.04477	1.6
332.05283	53.9
333.05557	0.5
347.07623	100.0
348.08005	1.1
439.18625	0.2
509.12888	20.9
510.13281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52097	0.9
56.77838	1.0
66.32030	1.0
69.68698	1.2
71.04747	0.9
71.05077	1.5
73.46684	1.0
77.11089	0.9
78.95645	1.8
86.09141	1.0
94.93019	100.0
95.04462	1.1
96.92799	1.0
98.77976	1.0
123.20720	1.1
128.67186	0.9
129.41782	1.0
148.14713	0.9
166.91458	68.7
166.97081	1.1
188.89668	1.3
196.86861	4.2
204.87057	1.8
212.84187	1.0
381.07953	26.0
410.85992	1.0
509.14523	4.3
532.02911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3401
Annotation	PC(17:1(10Z)/0:0)
Peak:m/z	Relative Intensity
55.05516	2.0
56.05040	1.4
57.03429	0.8
57.07073	0.6
58.06347	0.2
58.06602	1.1
60.08167	16.4
67.05503	2.6
68.05827	0.5
69.07066	2.8
70.06572	0.3
71.04977	0.3
71.07372	6.5
71.53119	0.3
79.05518	1.5
80.05805	0.3
81.03391	0.2
81.07059	2.2
83.04955	0.3
83.08624	1.9
84.08159	0.3
84.15893	0.2
86.09708	51.8
89.93279	0.3
91.05481	0.7
93.07040	1.8
94.07359	0.4
95.08618	1.9
97.06533	0.5
97.10185	0.8
98.79186	0.2
98.97865	0.4
98.98472	4.4
104.10746	100.0
105.06992	0.4
105.11059	0.5
107.08591	1.3
109.10143	1.0
119.08599	0.6
121.10122	0.7
125.00008	26.7
135.11684	0.4
137.02077	0.2
143.01114	0.4
145.10066	0.3
155.01056	0.6
163.01523	0.7
181.02638	0.3
184.07344	94.4
221.15512	0.4
249.32123	0.3
258.11044	1.1
299.30341	0.3
325.27417	2.0
335.25833	0.5
336.26068	2.5
434.84006	0.3
490.32950	9.9
508.34012	41.6
509.34286	0.7
518.96063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01868	6.9
55.05511	20.9
57.03430	4.4
65.03937	2.1
67.05505	19.4
69.03420	3.4
69.07058	9.7
70.06592	4.3
71.03713	3.3
71.04995	3.9
79.05489	17.6
81.03417	4.6
81.07053	20.3
83.05003	10.3
83.08633	18.3
84.08137	5.3
85.02896	4.7
85.06581	2.1
86.06096	3.1
86.09706	3.4
91.05482	16.2
93.07059	22.2
95.04975	20.8
95.08602	13.6
96.09004	1.6
97.02883	1.9
97.06523	4.7
97.10164	3.0
98.98491	2.6
99.04456	7.1
105.07030	14.5
107.04941	5.8
107.08602	18.6
109.02901	1.8
109.06510	5.9
109.10165	7.0
110.07181	2.1
111.04457	12.6
111.08080	4.0
117.07026	4.8
119.08587	10.0
120.08141	1.8
121.06507	2.9
121.10150	13.9
123.08064	4.0
123.11779	2.8
123.85099	1.6
125.06046	2.2
125.09635	4.5
129.10269	1.8
131.08554	8.1
133.10167	7.6
135.08075	3.6
135.11687	7.1
145.10107	9.1
147.08025	2.6
147.11659	4.2
149.09645	14.0
149.13223	2.9
150.09148	3.2
153.09042	2.1
153.12688	2.2
159.11717	4.9
161.13232	2.9
163.11221	13.8
165.12769	1.7
175.11130	2.1
189.11203	5.8
191.10608	1.7
207.17267	1.6
211.13225	2.7
216.06145	1.9
223.13298	21.8
229.19551	2.4
256.37845	1.8
257.19077	5.3
275.20081	29.8
290.11240	1.6
293.21103	15.8
318.24142	1.8
333.02084	1.8
346.19885	2.6
349.23734	22.9
367.24799	100.0
404.25388	1.9
472.23996	1.9
490.25183	2.9
495.48972	2.1
508.25964	4.7
508.39075	2.7
509.27261	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	508.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
55.01865	6.5
55.05516	50.4
57.03433	11.5
62.06099	32.2
65.91631	4.2
67.05509	43.1
69.03415	6.7
69.07083	28.2
70.06590	10.6
71.04998	9.6
71.52804	5.6
72.08150	5.3
73.02901	5.2
78.53769	4.2
79.05493	41.0
81.03410	16.1
81.07065	51.5
82.10140	4.5
83.04974	18.0
83.08627	43.5
83.75498	3.8
84.08160	8.6
85.02903	15.4
86.09714	7.0
91.05495	27.7
93.07041	47.5
95.04970	44.8
95.08623	29.1
97.02897	5.6
97.06519	8.1
97.10162	8.3
98.98472	31.5
99.04459	8.2
105.07037	26.4
107.04979	31.1
107.08578	34.0
109.02859	6.2
109.06516	16.3
109.10163	13.8
110.07164	5.6
111.04436	13.3
111.08089	11.3
117.07020	14.0
119.08598	22.1
120.08056	4.7
121.06532	7.2
121.10175	25.8
123.08060	10.5
123.11716	11.4
123.71307	4.5
125.09647	9.0
127.03953	5.7
129.06984	4.1
131.08566	11.2
133.10109	15.5
135.08167	5.8
135.11694	14.7
136.06227	5.2
139.11197	5.3
143.08565	7.0
145.10141	21.3
147.11667	15.3
149.09634	23.9
149.13295	6.0
153.09108	7.6
155.01025	12.0
157.10112	8.8
159.11678	11.0
161.09621	5.0
163.11192	31.4
165.12747	12.3
173.02087	7.1
173.13289	7.9
175.11081	4.8
177.12779	9.1
181.12329	4.8
183.13803	18.5
187.11122	9.7
188.08861	4.7
189.11235	5.0
200.24213	4.2
205.12193	11.6
216.06323	8.8
223.13313	23.3
257.19016	18.3
269.17734	5.0
275.20096	84.1
293.21198	27.1
297.16907	12.3
307.09415	11.7
318.24231	9.1
331.08640	4.7
336.25323	9.0
349.23788	87.0
367.24820	100.0
411.19052	8.1
429.20425	97.3
447.21307	26.9
472.24274	15.2
490.25568	31.4
508.26718	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	508.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55725	1.2
55.01875	1.6
56.05038	3.0
57.03426	1.4
58.99590	12.8
60.04535	2.2
65.03943	1.1
68.05047	2.8
68.99789	1.5
69.03428	2.7
69.07071	1.3
70.06593	10.6
70.35915	3.5
72.08161	2.5
73.02925	1.8
76.02232	63.5
76.04002	6.5
80.15583	1.2
81.03408	1.9
84.04509	28.2
84.08149	26.1
85.01125	3.4
85.02896	4.0
85.04044	7.0
86.06068	3.8
86.09700	6.6
86.99043	3.7
88.02237	1.3
88.03994	2.5
89.57594	1.1
91.05495	1.3
92.01723	1.1
97.02879	2.6
98.06028	2.1
98.21548	1.1
99.04471	1.3
99.05601	6.7
105.97847	8.6
106.05044	1.8
106.98621	11.0
107.04960	1.7
107.06071	1.0
107.99430	5.4
109.02885	3.9
110.07178	1.6
111.99809	1.1
112.01598	1.7
112.08752	1.2
113.00612	8.0
113.03485	2.0
115.03899	1.4
116.01685	17.8
120.08103	5.1
126.05496	1.2
127.02204	1.7
127.03923	25.9
127.04882	1.1
129.10220	8.1
130.05003	18.2
131.04536	11.2
133.04968	1.5
136.06151	1.7
136.07587	3.0
139.03896	4.1
141.00050	3.7
142.03241	7.5
143.04491	1.6
144.01167	10.2
145.04953	1.6
145.06084	14.9
146.06908	2.4
147.04399	1.7
153.06606	3.7
155.01614	7.9
155.03397	35.3
155.08142	2.4
156.06566	1.2
158.00348	3.8
160.05080	1.7
162.02216	29.0
168.99559	16.7
170.02751	3.0
170.05750	100.0
171.06535	6.8
173.02716	3.8
173.09216	3.0
177.03320	4.5
179.04868	65.3
181.04881	1.7
183.01111	1.4
185.03914	1.3
187.05426	2.0
192.07767	2.7
199.07126	9.9
200.01352	2.0
201.02180	31.1
201.08746	1.3
209.00517	14.1
210.01285	17.6
211.02060	3.6
215.04962	2.2
217.08212	1.6
233.05891	9.9
243.01927	1.0
243.04468	3.7
245.05939	4.1
257.07788	1.2
263.01605	2.7
264.02405	6.6
274.10339	2.2
276.03656	4.9
308.05917	1.9
308.09103	21.6
320.04773	1.1
334.70758	1.1
339.05548	56.2
340.06168	2.1
363.21783	1.1
379.06335	8.6
433.07471	5.8
456.24219	1.8
490.09192	1.2
506.39017	1.2
508.10107	2.2
529.67566	1.4
530.07373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38349	1.8
71.49983	2.9
71.50393	2.9
85.02898	2.3
97.02861	2.2
108.16252	1.8
119.01913	2.6
127.03935	2.8
149.72487	1.8
162.07635	5.0
163.08017	1.7
177.00931	2.5
216.98900	4.3
219.02014	7.3
222.97908	1.9
234.99979	3.7
240.98985	8.3
243.02086	3.8
259.00006	33.1
260.00140	4.6
261.00198	3.3
261.02972	21.7
264.98947	2.6
277.01102	18.6
282.99997	100.0
284.00168	9.3
285.00159	4.0
300.97586	4.5
301.01053	95.4
302.01236	6.9
303.01157	3.5
304.00723	1.9
319.01968	2.4
336.60300	1.9
359.00232	2.2
360.00281	2.9
364.99200	2.2
382.99991	2.6
385.03210	2.8
401.01282	9.0
402.01370	9.4
403.04407	2.3
407.00247	8.3
425.01184	60.6
434.74377	2.2
443.02264	94.4
444.02429	3.8
446.00122	3.1
466.03763	5.6
467.02216	3.7
498.99423	2.1
508.00400	3.7
526.01337	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	507.3688
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.98224	1.8
53.03944	3.4
55.01882	2.4
55.05514	26.3
57.03444	9.2
57.07079	2.9
58.43419	2.0
59.05016	2.9
65.03951	3.2
67.05509	100.0
69.03436	2.6
69.07063	16.3
70.01566	7.4
71.04987	4.3
79.05499	30.4
80.33501	1.7
81.07061	63.5
83.05010	3.6
83.08630	16.5
85.06557	4.7
89.75534	1.7
91.05485	23.9
93.07041	32.6
95.04971	1.9
95.08619	41.3
97.06564	2.9
97.10186	15.1
99.08098	2.4
105.07034	14.9
107.08606	24.1
109.06530	2.1
109.10166	63.1
111.08086	3.5
113.09714	2.2
114.03658	1.9
117.07036	7.5
119.08591	20.3
121.10157	16.4
123.08102	2.7
123.11737	8.5
125.09635	9.5
127.11221	1.7
129.07040	4.0
131.08569	12.5
133.10127	16.1
135.08028	2.1
135.11705	13.9
137.09622	3.3
137.13301	2.6
139.11197	1.7
143.08566	5.5
145.10129	14.3
147.08054	2.1
147.11662	8.5
149.09628	2.3
149.13252	6.2
155.10718	2.9
157.10229	4.2
159.11702	8.3
161.13300	6.6
163.11234	1.8
163.14867	3.2
171.10278	2.1
171.11665	3.6
173.11760	14.0
173.13298	8.2
175.14886	2.9
177.16409	1.8
183.11787	1.9
185.13202	2.2
187.14891	4.0
189.11247	10.3
199.14888	2.2
221.15416	2.1
224.93675	1.8
227.12878	9.3
229.14372	42.8
231.15866	2.9
243.21194	5.0
249.18484	3.3
259.20520	2.7
261.22183	26.9
299.23581	2.1
317.24838	3.3
335.25812	30.6
379.29959	4.7
397.30942	9.7
415.32013	8.4
433.33176	7.0
435.31534	2.4
449.32458	2.2
471.34897	6.7
489.35806	62.4
507.36975	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03936	2.5
55.01874	2.5
55.05274	2.1
55.05514	27.1
57.03446	10.0
57.07082	2.4
59.04992	2.8
65.03948	3.3
65.44986	1.2
67.05511	100.0
69.03438	2.0
69.07069	15.6
69.18239	3.5
69.18658	11.5
71.04995	2.9
79.05020	1.4
79.05499	30.5
81.07062	58.4
83.04983	2.4
83.08622	14.6
85.06551	2.8
88.03575	1.4
91.05489	15.0
93.07056	34.0
95.04936	2.4
95.08613	39.2
97.06529	2.7
97.10180	13.9
99.08070	1.6
100.08921	1.6
105.07042	18.1
107.08593	25.9
108.34853	1.3
109.10163	56.6
111.08064	3.9
113.09699	1.3
117.07046	10.0
119.08586	18.7
121.10134	16.7
123.08047	2.1
123.11700	7.8
125.09631	10.9
129.07069	2.4
131.08572	12.2
133.10136	13.5
135.11696	11.8
137.09625	2.7
137.13223	2.4
139.11118	2.6
143.08577	2.3
145.10149	12.2
147.11673	9.4
149.13280	7.9
155.10654	4.6
157.10205	3.0
159.11728	9.4
161.13272	10.2
163.14801	6.4
165.12794	1.3
169.10101	2.1
171.11697	2.5
173.11752	12.3
173.13263	7.8
175.14903	3.4
183.11833	1.5
185.13312	1.4
187.14841	6.0
189.11194	6.4
199.14912	1.9
201.16307	2.1
203.18158	1.5
227.12804	13.3
229.14368	45.0
241.19420	1.8
243.21059	3.9
251.36859	1.6
259.20551	2.8
261.22119	26.1
263.23865	1.5
277.21658	2.0
277.69525	1.5
289.21753	1.7
292.17627	1.4
317.24701	3.4
335.25815	30.6
379.29773	3.3
391.28476	1.6
397.30957	9.6
415.32074	7.4
433.33115	5.5
435.31064	1.7
471.34607	6.9
489.35779	64.7
507.36859	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03947	3.0
55.01859	3.2
55.05515	25.6
57.03437	8.9
57.07085	8.6
59.05003	2.1
65.03926	2.6
65.95785	1.2
67.05510	100.0
69.03467	1.7
69.07076	16.0
70.64901	3.0
71.04980	3.7
71.08635	6.9
73.02930	2.5
73.06545	1.7
79.05077	2.5
79.05499	30.0
81.03406	1.5
81.07062	64.4
83.04991	3.3
83.08617	16.4
85.06546	2.2
85.10187	3.2
87.04489	3.0
89.06032	16.3
91.05483	23.9
93.06486	2.5
93.07048	39.6
95.04969	3.5
95.08615	47.5
97.06527	3.3
97.10170	16.2
99.08116	2.6
100.93934	1.3
105.07040	19.2
107.08598	26.6
109.06523	2.5
109.10161	58.4
111.08102	4.1
112.39491	1.7
113.91425	1.3
117.07028	8.9
119.08598	17.5
121.10148	18.7
123.08061	1.7
123.11707	9.0
125.09631	10.8
129.07016	2.8
131.08582	13.2
133.08623	7.8
133.10124	14.7
135.11688	13.6
137.09630	3.3
137.13234	4.1
139.11218	2.2
142.40198	1.4
143.08554	4.7
145.10126	14.1
147.11705	10.6
149.09624	3.1
149.13266	9.9
155.10619	2.1
157.10155	3.1
159.11703	11.6
161.13229	6.7
163.14825	4.0
164.10387	1.6
171.10197	1.4
171.11598	2.2
173.11736	11.6
173.13263	11.3
175.11217	1.3
175.14836	4.3
177.11237	4.6
183.11729	2.4
185.13235	3.5
187.14790	3.0
189.11252	7.3
189.12761	1.4
198.37912	1.3
199.12518	2.2
199.14883	2.5
201.16295	1.9
210.79062	1.3
215.17949	2.1
219.76097	1.3
221.13744	2.1
227.12769	8.3
229.14357	33.1
241.19608	1.7
243.21112	4.4
259.20590	3.5
261.22162	27.3
263.23666	1.9
277.21790	1.7
279.23233	1.8
289.21783	1.7
291.23264	2.4
308.81497	1.4
313.22009	1.8
317.24771	5.4
335.25827	24.9
379.30118	3.5
397.31143	10.0
415.32196	7.4
420.98990	1.6
433.33044	7.7
449.32788	1.8
471.34866	7.6
489.35818	63.1
507.36945	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2723
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.66904	1.1
50.70591	1.2
52.23288	1.2
53.03935	1.9
55.01883	1.4
55.05517	12.6
55.66549	1.2
57.03432	6.4
57.07078	2.1
59.04996	1.1
67.05508	43.2
68.05848	1.6
69.03422	1.4
69.06786	1.2
69.07079	12.8
71.04987	1.5
71.51862	1.4
79.05076	1.9
79.05495	26.3
81.07065	37.6
82.52406	1.1
83.04980	2.9
83.08614	5.6
85.06568	1.7
88.33334	1.1
91.05489	16.1
93.06486	2.4
93.07050	37.0
95.04962	2.9
95.08616	27.0
97.06555	1.5
97.10151	2.3
98.98469	44.4
104.10757	1.4
105.07020	14.0
107.08601	16.8
109.06499	3.4
109.10165	13.9
117.07016	5.1
119.08591	12.5
121.06513	1.3
121.10149	12.5
122.01118	1.4
123.08079	3.0
123.11694	3.7
125.09666	1.2
131.08551	5.8
133.10149	7.1
134.10405	1.4
135.11694	8.4
137.09630	2.2
143.08487	2.9
145.10120	5.5
147.11711	6.2
149.13255	4.9
155.01059	17.5
155.19791	1.3
157.10088	1.3
159.11732	5.1
161.13281	5.5
163.14894	2.8
165.09128	2.1
169.93474	1.4
172.10921	1.4
173.02133	6.5
173.11829	1.5
173.13268	4.6
175.14873	2.3
184.07385	3.2
187.14842	2.2
199.14772	1.2
203.14290	1.3
206.88689	1.4
213.84213	1.4
217.22523	1.3
219.17377	1.4
221.15401	7.4
229.04774	2.7
229.14211	2.9
243.21004	4.8
247.05775	3.0
260.20871	2.3
261.22189	10.3
299.23608	1.6
317.24576	7.4
335.25812	100.0
410.85449	1.3
471.24933	7.5
479.54150	1.6
489.35312	1.5
507.34650	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	506.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
57.03421	2.1
67.05496	7.9
69.20249	7.5
69.20680	9.4
70.06589	6.7
72.08143	1.6
75.18671	1.6
79.05521	10.1
81.03442	2.6
81.07058	8.6
83.04991	3.4
84.04433	1.7
84.08147	4.0
85.02901	4.7
85.92414	1.5
86.09707	4.2
91.05498	10.4
93.07050	9.6
95.04943	4.8
95.08627	4.0
105.07022	5.5
107.08620	5.0
109.06498	4.2
109.10142	2.1
109.85075	1.8
111.04383	1.7
113.06034	1.8
119.08599	3.8
123.08054	3.3
127.03893	2.4
129.06969	2.0
133.10135	2.3
133.42915	1.7
143.08510	2.2
147.11687	5.9
157.57999	1.7
171.11705	4.7
189.12831	2.3
207.13831	7.0
281.17514	100.0
282.39194	2.0
299.18466	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	506.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.7
55.05514	3.4
56.05040	1.7
57.03431	1.9
67.05519	7.3
69.03436	2.1
69.07074	4.6
70.06598	8.4
71.03716	2.8
72.08141	2.9
79.05503	8.8
81.03434	2.8
81.07052	6.1
83.04970	4.7
84.04498	2.1
84.08147	5.0
85.02912	2.3
86.09706	5.7
91.05473	5.0
93.07050	12.3
95.04971	3.8
95.08601	5.7
105.07040	5.6
107.08621	3.9
109.06487	2.1
109.10152	2.4
109.11304	1.5
110.07145	2.2
111.08094	1.8
117.06934	1.9
119.08562	2.7
120.08076	3.0
121.10190	3.0
123.08015	2.3
124.08408	1.4
129.07098	1.8
129.10263	2.0
133.10124	4.7
136.07617	2.4
137.06099	1.5
145.10150	4.5
147.11703	4.9
158.04811	1.4
161.13231	2.2
165.07008	6.8
171.11705	5.0
174.05400	1.9
189.12756	2.6
207.13739	3.8
281.17499	100.0
365.23068	2.2
506.18414	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01869	3.4
55.05513	14.3
57.03233	0.8
57.03441	8.8
57.07068	3.3
59.05003	4.5
65.03915	2.3
65.80655	1.1
66.45335	1.1
67.05508	100.0
69.07066	10.3
71.04987	3.8
71.08625	1.1
71.52325	1.7
79.05495	30.5
81.03399	1.7
81.07061	33.0
83.04991	1.3
83.08634	9.6
85.06538	3.7
91.05487	41.5
93.07041	33.2
95.04971	3.5
95.08616	20.0
97.02907	1.2
97.06540	1.3
97.10160	3.1
99.08070	1.7
105.04515	1.5
105.07031	36.3
107.08596	18.3
109.06531	2.7
109.10161	76.4
111.08098	3.9
117.07014	10.8
119.08582	39.9
121.10163	13.0
123.08123	2.1
123.11674	3.1
125.09622	1.9
128.06197	2.1
129.06996	6.3
129.24680	1.2
131.08583	15.2
133.10139	29.8
135.08081	1.9
135.11687	12.7
137.09612	3.3
143.08557	7.1
145.10120	11.9
147.08089	1.1
147.11697	28.6
148.54245	1.1
149.13248	6.8
149.28539	1.2
150.35519	1.2
155.10658	4.6
157.10117	5.8
159.11696	12.0
161.13260	23.2
161.14616	1.2
163.11186	2.7
163.14789	1.5
169.10175	1.2
169.31546	1.3
171.11707	8.7
173.11748	20.2
173.13248	5.7
175.14818	8.6
177.12822	1.9
185.13286	5.9
187.14790	1.9
189.11209	2.0
199.14796	4.5
210.67938	1.1
213.16426	1.7
215.18042	1.3
227.12790	5.0
229.14359	53.8
231.21152	6.5
239.18184	1.3
241.19537	23.4
243.21118	1.5
258.19388	1.2
259.20584	67.3
261.22217	4.1
277.21741	1.2
315.23114	5.5
318.32883	1.1
333.24219	33.5
344.63144	1.3
351.25293	1.2
393.54245	1.1
395.29474	1.7
413.30515	1.4
448.12534	1.2
487.34283	12.0
505.35300	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
53.32573	1.0
55.01873	1.7
55.05513	13.4
57.03443	8.2
57.07071	4.1
59.04994	4.0
65.03918	3.0
67.05508	100.0
69.03441	1.7
69.07072	9.2
69.87910	2.1
69.88274	5.7
71.04974	4.0
71.08612	1.0
73.02927	1.1
75.04498	1.3
79.05492	23.0
81.07057	35.3
83.04989	1.5
83.08608	10.0
85.02895	1.5
85.06538	5.2
88.31893	1.0
91.05489	31.4
93.06490	1.8
93.07049	27.6
93.07636	1.9
95.04953	3.4
95.08611	20.1
96.08967	1.1
97.06532	3.0
97.10168	3.9
98.75199	0.9
99.08099	3.4
105.04583	1.3
105.07031	30.6
107.08585	16.6
109.06528	1.1
109.10162	69.9
111.08061	3.0
117.07015	7.7
119.08582	31.9
121.10160	12.4
123.11712	1.8
125.09600	2.4
129.05527	1.3
129.07040	6.0
130.07735	1.5
131.08574	14.0
133.10130	21.1
135.08121	1.3
135.11699	11.0
137.09605	4.8
143.08513	5.2
145.10139	10.5
147.11707	23.6
149.09557	1.8
149.13280	5.7
151.11111	1.5
155.10641	5.7
157.10106	6.2
159.11707	10.2
161.13255	17.8
163.14835	2.6
171.11674	6.4
173.11736	21.2
173.13243	4.7
175.11174	1.4
175.14813	8.6
179.14270	2.0
185.13275	6.8
187.14783	2.6
189.12720	1.3
190.26210	1.0
192.51225	1.0
199.14839	4.0
203.14384	1.3
213.16360	2.2
215.17920	1.3
227.12775	7.3
229.02158	1.2
229.14354	56.9
231.21056	4.4
241.19521	19.3
243.21014	1.7
249.56723	1.3
253.12651	1.3
257.18958	1.2
259.20593	51.3
261.22174	3.3
262.28894	1.1
277.21771	2.3
289.21628	1.4
315.23233	3.3
333.24249	29.6
351.25140	1.4
395.29297	1.7
413.30463	2.7
431.31549	1.8
487.34268	13.3
505.28235	10.1
505.35754	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	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.45887	0.9
55.01873	1.6
55.05510	13.7
57.03446	7.9
57.07069	2.7
59.05006	4.2
60.08165	1.3
65.03953	2.2
67.05507	100.0
69.03436	1.3
69.07064	8.0
69.79039	0.9
71.04982	5.4
71.52280	1.0
77.03981	0.8
77.66940	0.8
79.05498	25.1
79.05961	1.3
81.03407	1.3
81.06595	1.6
81.07059	30.6
83.04978	1.8
83.08619	10.8
85.06530	3.6
85.17260	0.9
86.09696	3.7
88.68861	0.9
91.05485	35.9
93.07047	28.2
95.04959	2.2
95.08613	19.0
97.06499	1.5
97.10158	3.2
99.08097	2.7
104.10734	7.7
105.07033	29.0
105.11073	2.0
107.04895	1.2
107.08596	19.2
109.06562	1.1
109.10159	67.9
110.10539	1.0
110.55723	0.8
111.08087	4.8
113.06018	0.9
115.89302	0.9
117.07014	8.7
119.08587	32.7
119.31609	0.8
121.06462	1.1
121.10155	10.8
123.88171	1.0
124.99969	2.1
125.09607	2.9
128.06256	1.6
129.06987	5.1
131.08551	12.8
133.10124	21.4
135.08044	1.3
135.11703	11.8
137.09616	4.0
142.07729	0.9
143.08528	4.3
145.10115	10.8
147.11693	22.3
149.09641	1.0
149.13245	6.2
155.10658	5.8
157.10077	5.5
159.11687	9.3
161.12015	1.4
161.13271	18.7
163.11189	2.2
163.14842	1.7
165.12642	1.2
171.11722	6.8
173.11725	20.5
173.13261	6.5
175.11183	1.6
175.14847	7.1
177.12840	1.1
184.07364	6.3
185.07645	2.3
185.13258	5.7
187.14819	2.8
189.11238	1.7
189.16537	1.1
199.14769	3.9
201.16386	1.4
203.14349	1.3
213.16487	1.1
217.19615	1.2
227.12772	7.5
229.14355	61.4
231.21092	4.6
241.19504	21.3
243.21175	1.5
257.19171	1.3
259.20581	45.2
261.22171	3.7
270.68369	0.9
275.20145	1.2
277.21661	1.8
287.20102	1.0
292.76956	1.0
315.23157	2.7
318.65552	0.9
333.24246	34.7
395.29245	2.1
413.30457	2.6
487.28592	0.9
487.34387	12.1
505.35596	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64725	0.6
53.03957	1.8
55.01881	1.2
55.05518	14.8
57.03448	7.7
57.07080	2.0
59.05001	3.2
65.03956	2.1
67.05510	100.0
69.07082	7.9
71.05003	2.8
71.08692	0.7
72.08166	6.8
73.08490	0.8
79.05502	23.3
81.03411	0.9
81.07066	29.5
83.04996	1.5
83.08627	8.8
85.06556	5.2
86.09698	1.0
91.04909	1.8
91.05487	38.0
93.07051	31.3
95.04984	1.6
95.08611	19.4
95.09173	1.3
97.06506	1.6
97.10207	3.2
98.21572	1.3
99.08106	1.8
103.05502	0.9
105.04501	0.9
105.07037	36.6
107.04984	1.1
107.08611	19.1
107.09317	1.4
108.59940	0.7
109.06516	1.6
109.10165	72.1
111.08095	4.4
117.07015	8.5
119.08589	33.3
121.06538	0.9
121.10153	10.9
123.08099	0.9
123.11784	1.6
125.09682	2.7
128.06297	0.9
129.05533	1.2
129.07025	5.3
131.08586	11.7
133.10133	22.4
133.11084	1.4
135.11708	9.3
137.09648	4.1
139.34499	0.7
142.07814	0.8
143.08566	7.4
144.09381	1.0
145.10121	10.8
147.10521	1.2
147.11697	25.3
149.13264	7.8
155.10663	6.9
157.10130	5.7
159.11708	11.5
161.09694	1.0
161.13271	19.5
163.11258	1.3
163.14842	2.1
171.11676	8.1
173.11795	21.1
173.13330	6.4
175.11246	0.8
175.14816	7.3
177.12779	1.3
185.13251	6.1
187.14915	1.8
189.11285	1.8
189.12764	1.0
189.16422	0.9
199.14790	3.8
201.16420	1.4
203.14294	1.0
213.16508	2.0
215.18073	1.7
227.12788	6.3
229.14366	57.5
231.21114	4.7
241.19540	20.0
243.21191	1.2
259.20599	53.8
261.22278	2.8
277.21732	1.7
281.54803	0.8
289.21439	1.0
315.23349	2.9
333.24249	34.6
395.29691	1.6
412.99423	0.8
413.30307	1.4
431.31717	1.1
487.34290	12.5
505.35306	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	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
55.01874	1.1
55.05266	1.4
55.05514	15.7
57.03443	9.7
57.07080	3.5
59.04997	3.5
60.08165	1.1
65.03947	3.0
67.05509	100.0
69.07072	8.4
71.05002	3.9
71.08637	0.9
72.13203	0.7
77.03889	0.9
79.05496	28.8
81.03445	1.0
81.07057	31.9
81.07532	1.6
83.04996	1.2
83.08623	9.9
85.06538	3.7
86.09727	3.3
91.05485	40.4
93.07047	33.6
95.04991	2.9
95.08609	19.4
97.06529	1.8
97.10171	3.9
99.08118	2.6
103.05499	1.5
104.10744	5.0
105.04479	0.7
105.07036	40.7
107.05010	1.0
107.08598	19.1
109.06519	1.9
109.10159	67.9
110.77100	0.8
111.08105	3.3
113.09644	1.1
115.05443	1.8
116.06340	0.7
117.07018	8.7
119.08584	37.2
121.10155	12.3
123.08104	1.0
123.11713	2.0
125.00018	1.1
125.09615	3.6
127.11160	0.9
128.06268	1.2
129.05507	1.0
129.06999	6.7
130.07802	1.0
131.08577	13.2
133.10138	24.4
133.11089	1.6
135.08121	1.5
135.11705	11.1
137.09657	3.5
143.08571	5.0
145.10127	11.5
147.08107	1.2
147.11696	29.3
149.09715	1.6
149.13242	7.6
151.11263	1.0
153.09106	0.8
155.10704	4.3
157.10155	6.9
159.11702	9.9
161.13261	20.7
163.11229	1.9
163.14877	2.9
165.12846	1.2
169.10211	0.9
171.11726	8.3
173.11798	17.6
173.13324	8.0
175.14848	8.6
177.12799	1.3
184.07431	3.1
185.13208	6.5
187.14912	3.0
189.11278	1.8
189.12863	1.0
189.16563	1.1
195.11969	0.7
197.13275	0.9
199.14833	4.0
203.14398	1.1
213.16405	1.4
217.19519	1.0
227.12732	6.3
229.14360	54.4
231.17743	1.2
231.21100	5.4
241.19525	24.9
243.20999	0.9
257.19116	1.0
259.20590	62.6
261.22223	2.8
277.21735	1.4
315.23181	5.7
333.24234	31.0
351.25500	0.9
395.29892	1.6
431.31387	0.9
487.34286	12.9
505.35379	15.3
506.32831	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.0
55.01866	2.9
55.05511	21.9
57.03431	9.9
57.07063	1.5
65.03938	3.9
67.05508	75.8
67.20840	1.5
69.03400	1.4
69.07076	14.0
69.35867	7.4
69.36292	4.3
71.04990	3.9
73.14106	1.4
77.03925	2.9
79.05499	100.0
81.03419	9.7
81.06591	3.1
81.07060	56.7
83.04996	18.3
83.08630	10.7
85.02892	2.0
85.06546	4.0
91.05487	86.0
93.07050	98.9
95.04979	27.5
95.08611	33.7
96.12106	1.7
97.02914	1.6
97.06537	7.0
97.10172	4.0
101.44109	1.5
103.05439	2.5
105.04530	5.1
105.07036	57.9
107.04958	7.7
107.08610	23.5
109.06528	8.8
109.10170	9.4
111.08091	3.0
115.05464	2.7
117.07024	11.6
119.08587	35.4
121.06513	2.5
121.10151	6.3
123.08107	10.7
125.60497	1.5
128.06273	2.9
129.07022	27.0
130.07811	1.9
131.08548	5.3
133.10120	11.8
135.11732	3.7
137.09674	1.5
141.07072	1.4
141.09062	1.9
143.08577	14.4
145.10123	17.9
147.08037	3.7
147.11693	60.7
159.11723	2.1
161.09619	5.8
161.13258	19.1
163.11191	3.2
169.10147	1.7
171.11699	47.4
179.14391	2.6
189.12740	21.9
207.13817	60.4
225.14886	8.3
229.14369	1.7
259.20615	2.3
281.17496	95.4
333.24185	1.9
469.29645	3.0
487.30594	94.7
505.34918	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	504.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09256	0.6
69.07066	0.8
69.69764	2.0
69.70173	1.2
70.06599	0.7
73.04273	0.5
76.80165	0.5
77.98016	0.6
85.02923	1.2
86.09710	100.0
87.10040	0.7
103.03946	0.8
127.03930	1.2
127.89273	0.6
132.10211	73.8
135.04454	1.2
145.02852	1.1
148.06020	0.9
160.04068	0.5
163.03903	7.1
163.06010	0.9
179.54138	0.6
317.55206	0.6
400.54736	0.6
416.49725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
54.51969	1.3
55.01881	6.5
55.05510	21.9
57.02147	1.5
57.03441	3.1
57.07090	2.0
59.04991	4.3
60.64302	1.4
65.03948	4.4
67.05505	100.0
69.03456	2.0
69.07068	16.1
70.06616	1.9
71.04996	4.5
71.52518	1.7
79.05496	34.3
81.03432	6.4
81.07061	55.2
81.70283	1.5
83.04996	4.6
83.08621	12.9
85.06572	3.5
88.33572	1.4
91.05479	33.1
91.06011	1.7
93.07044	23.7
95.04971	15.1
95.08598	24.9
96.05750	6.9
97.06536	9.3
97.10176	4.1
101.12963	1.4
105.07034	25.6
105.07686	1.9
107.04956	7.1
107.08598	22.2
109.06525	10.7
109.10159	55.6
111.08060	7.5
117.07019	15.2
119.08582	23.7
119.09355	1.8
121.06554	4.7
121.10152	10.9
123.08087	4.9
123.11764	3.4
125.05978	2.5
125.09662	5.5
128.06201	2.0
129.07013	5.9
131.08588	19.9
133.06567	2.2
133.10126	20.1
135.08081	4.2
135.11734	6.1
137.06001	2.5
137.09654	4.1
138.06865	1.6
139.07558	2.5
141.07030	1.8
143.08621	5.9
145.10143	26.9
145.69905	1.4
147.08113	1.8
147.11711	16.6
149.09619	8.9
149.13234	2.0
151.11281	1.9
153.09090	1.7
155.10719	3.4
157.10182	7.6
159.11720	13.0
161.09618	3.1
161.13266	4.0
163.11172	17.6
163.14856	1.9
165.50711	1.5
167.06985	8.8
169.10188	4.2
171.11745	5.4
173.09856	1.5
173.10349	2.1
173.11792	14.4
173.13330	5.3
175.11227	4.0
177.12692	2.1
179.14378	2.1
181.12192	1.8
183.11748	4.2
185.13283	2.8
187.11263	2.5
187.14914	1.7
189.11287	3.4
191.10727	2.8
193.12349	2.0
197.13362	2.8
201.12801	2.1
205.12318	1.6
207.13904	1.7
209.09846	2.0
209.11789	3.9
211.13297	3.5
223.13332	3.5
224.14183	5.4
229.14302	8.0
229.19664	4.3
239.18082	4.9
243.17717	1.4
247.20628	2.3
249.16638	1.7
257.18997	15.6
257.21228	1.6
259.20670	2.8
263.40561	1.5
275.20056	47.6
293.21246	5.8
331.22803	4.2
349.23889	3.9
393.27972	4.2
411.29520	3.3
429.30005	2.1
485.32925	10.5
503.33838	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05515	0.6
66.04723	0.7
66.13915	0.2
69.03442	0.3
69.07070	0.3
69.85848	1.0
70.06606	1.3
72.08146	0.6
76.15611	0.2
79.05499	0.7
81.03407	0.2
81.07055	0.9
82.50925	0.2
83.04977	0.2
84.04514	0.4
84.08152	1.5
85.02922	0.3
86.06084	0.3
86.09711	1.3
91.05467	1.6
93.71015	0.2
94.04193	3.9
95.04990	0.2
95.08612	0.4
97.02914	0.3
98.20879	0.4
98.56989	0.2
103.05461	0.6
103.84954	0.2
105.07053	0.4
107.04980	0.4
107.08616	0.4
109.06524	0.5
110.07167	0.6
111.61293	0.2
118.21310	0.2
119.04951	0.5
119.08599	0.3
120.08117	1.0
122.03655	8.2
129.00415	0.2
129.06990	0.2
129.10268	0.8
131.04935	0.6
133.10147	0.3
137.05986	100.0
138.06404	0.3
140.04691	0.2
145.06497	0.3
145.10182	0.3
149.06018	0.4
151.07567	2.2
151.61485	0.2
158.07156	0.2
159.11659	0.3
161.06046	0.4
163.07576	0.8
163.54985	0.2
173.09586	0.2
174.06854	0.2
175.07558	0.6
183.11444	0.2
187.07588	0.5
189.09071	0.3
198.84778	0.2
199.07535	0.3
201.05458	1.5
201.09088	0.3
211.07521	0.5
213.09102	0.7
225.09169	0.4
229.04971	0.3
243.08168	0.6
257.09683	0.6
259.09686	4.6
261.09262	0.3
263.10828	0.3
268.07401	0.9
269.09833	0.6
271.07584	0.7
272.08212	0.4
273.09036	0.4
275.10638	0.6
277.08585	0.6
283.09702	0.9
284.08252	0.3
285.08987	0.7
285.11655	0.3
286.09787	0.8
287.07269	0.2
287.10669	0.6
288.07813	0.3
289.08582	0.4
289.12210	0.3
291.10187	0.8
292.07211	0.2
297.11661	1.1
298.09848	0.7
299.07260	0.6
299.10608	0.2
301.08673	0.9
301.11859	0.4
302.09363	0.8
303.10257	1.1
305.08246	0.5
305.11780	0.3
307.09570	1.0
309.11194	0.7
314.09433	1.5
315.10101	0.8
316.10916	0.4
317.11765	2.1
318.12305	0.3
319.09549	0.4
320.10364	0.6
321.03568	0.2
321.11487	0.5
323.12762	0.5
329.11716	2.9
331.09726	0.4
333.11255	1.5
335.12775	2.4
346.11917	0.3
347.12817	2.2
348.13593	0.5
349.14249	1.4
351.12219	0.9
353.13477	0.4
361.14401	1.9
365.13882	1.1
366.14630	1.1
367.15454	2.2
379.15482	2.7
453.16910	0.9
459.25992	0.3
471.17896	1.2
473.19592	0.3
485.19641	3.8
503.20575	10.6
504.21100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01857	1.5
55.05500	3.6
56.05027	1.2
57.03436	3.7
57.07077	7.4
59.05004	42.4
61.02924	1.9
67.05505	2.8
69.03442	9.0
69.07076	2.4
70.06604	9.4
71.04995	1.2
71.52306	1.7
72.08154	3.7
72.24549	1.0
73.02920	8.6
74.06089	1.5
79.05486	4.5
81.03434	3.0
81.07053	5.1
83.04970	3.1
84.04521	2.6
84.08134	6.3
85.02914	14.4
86.06084	3.0
86.09713	13.3
87.00808	1.3
91.05493	4.9
93.07047	3.2
95.04990	1.4
95.08643	1.4
97.02890	9.9
98.09678	1.7
99.04479	2.3
102.05514	1.2
105.07058	3.9
107.04960	4.2
107.08604	15.6
109.02906	2.7
109.06537	2.7
109.10164	5.0
110.07143	2.9
111.04456	1.3
115.03959	4.5
115.11221	11.7
116.10745	4.6
117.07021	2.1
119.08592	2.9
119.11124	1.0
120.08131	2.9
121.10152	8.6
122.07294	2.7
123.08081	1.2
127.03918	7.2
129.10283	3.9
131.08601	2.5
132.10214	1.0
133.02988	1.1
133.04977	3.0
133.10141	100.0
135.08101	5.6
135.11694	1.3
137.06067	1.0
137.09628	50.3
142.08572	1.3
145.05006	4.5
147.11716	1.5
149.09576	1.7
149.13274	9.1
158.10605	1.1
160.86862	1.2
163.06059	1.5
163.14810	1.7
173.13243	6.2
173.15355	3.7
180.10411	1.1
191.14339	86.6
191.16431	40.3
209.15366	22.4
212.37439	1.1
215.88631	1.2
226.14397	3.0
231.05103	1.8
292.98303	1.2
335.17981	1.3
370.18170	1.4
388.19711	14.3
403.17459	2.8
421.18533	3.6
439.19568	6.2
455.80566	1.4
502.17206	1.5
502.23700	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	501.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59513	2.1
53.03944	6.0
55.01876	4.3
55.05510	17.4
59.04995	2.4
59.35847	2.2
61.02922	2.5
65.03934	3.7
67.05510	32.0
69.03419	4.8
69.07063	6.8
71.01353	2.4
71.04981	14.9
78.04675	2.3
78.74524	3.1
79.05492	23.2
81.03413	3.0
81.07069	25.8
83.04974	7.4
83.08620	8.4
85.06519	5.2
91.05486	33.3
93.07050	48.8
95.04982	21.2
95.08621	27.6
97.06548	13.3
98.21491	7.8
99.04479	3.6
105.07042	55.3
105.07696	1.9
107.04946	3.5
107.08599	28.7
109.06525	100.0
109.10184	19.6
111.04423	5.5
111.08070	7.9
111.32923	2.3
115.05443	5.3
117.07027	15.7
119.08607	26.6
120.14240	2.3
121.06493	8.4
121.10131	10.8
123.08059	12.4
125.06058	2.6
128.06216	11.1
129.07021	17.1
130.07770	4.2
131.08588	25.4
133.06430	3.0
133.10114	11.8
135.08067	35.5
135.11705	3.3
137.09631	26.4
141.07011	7.2
142.07773	11.3
143.08559	32.0
144.09302	3.4
145.10144	34.2
147.08043	10.7
147.11720	3.0
149.09637	15.3
153.07010	6.6
154.07768	4.8
155.08601	16.4
155.10638	5.0
156.09346	8.8
156.11461	3.3
157.10167	18.5
159.08040	7.3
159.11691	16.0
161.09651	9.3
165.07014	8.4
166.07756	2.5
167.08617	7.3
168.09358	7.2
169.10133	20.7
170.10948	4.3
171.11696	25.9
172.36340	2.4
173.09668	4.1
179.08507	5.9
180.09326	7.8
181.10136	8.5
183.11676	14.1
185.09660	4.6
185.13303	12.4
187.11214	5.0
191.10582	3.9
193.10109	6.6
194.10817	3.9
195.11728	27.3
196.12489	3.8
197.13356	5.3
201.12740	7.1
209.13261	10.4
211.14854	11.2
213.12790	25.0
221.15395	2.7
223.14871	2.8
227.14262	3.4
228.15352	2.9
229.15585	4.9
235.14925	2.7
253.15860	7.4
264.49435	2.4
271.16971	11.6
273.18402	2.5
350.21921	2.4
361.93655	2.5
403.35336	2.6
454.08438	2.5
501.35254	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	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
57.07077	38.5
59.05001	1.0
69.07086	2.3
69.28936	6.6
70.49220	0.8
71.08636	26.2
73.06558	5.4
76.16945	0.8
82.13430	0.7
83.08624	2.0
85.10183	21.4
87.04465	4.2
89.06031	100.0
91.07605	1.2
97.10181	3.0
98.20799	1.6
99.11739	3.7
113.13311	1.5
117.09132	4.2
130.08678	2.0
131.07025	1.2
133.08604	53.3
135.10213	0.8
139.03714	0.8
155.17915	5.3
161.11697	1.0
173.36996	0.8
177.11226	21.5
177.12708	1.4
195.12260	1.0
199.20557	5.4
210.16145	1.1
221.13818	4.5
223.34514	0.7
239.14986	2.5
243.23181	10.9
251.64384	0.7
274.65002	0.9
283.17593	2.7
287.25754	6.5
327.20126	13.5
378.73184	0.8
393.32291	2.1
399.28137	0.8
437.34662	1.4
481.37350	25.7
498.40039	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	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72184	1.8
53.03941	7.0
55.01860	5.7
55.05515	24.4
57.03200	2.0
57.03437	26.2
57.07078	9.5
57.61258	1.6
60.08159	10.2
61.02930	68.9
61.08493	2.2
65.03943	3.3
67.05508	84.8
69.03092	2.5
69.03433	35.0
69.06735	2.7
69.07072	36.0
69.63259	2.0
69.81506	7.3
70.19288	2.0
71.01345	4.1
71.04980	9.0
71.07364	2.4
71.08628	4.4
71.58674	1.8
73.02565	2.7
73.02921	32.3
75.04458	3.1
79.05499	27.4
81.03421	21.5
81.07059	84.6
83.04964	5.9
83.08611	19.1
84.84859	2.0
85.02909	63.5
85.06521	3.3
85.10170	3.0
86.09716	28.3
87.04466	3.1
87.10040	9.5
89.94609	1.7
91.03423	2.7
91.03969	40.5
91.05492	22.0
93.06487	2.4
93.07052	28.8
95.04952	5.0
95.08611	66.2
97.02894	52.9
97.06535	5.4
97.10171	11.4
98.21476	4.0
99.04465	13.3
99.08068	3.9
101.02369	15.3
103.03966	9.8
104.10746	49.5
105.07024	18.8
105.10462	2.9
105.11086	22.2
106.11249	6.3
107.08598	13.5
109.02871	14.0
109.06502	2.7
109.10162	26.5
111.04424	4.4
111.08075	4.6
111.11688	3.3
115.03903	3.2
117.05503	2.9
117.07007	3.6
119.08604	12.5
121.10131	16.5
123.08101	4.8
123.11708	15.3
125.00002	16.6
125.09617	3.7
125.13306	3.0
126.55938	2.0
127.00455	7.3
127.03927	24.3
128.82549	2.2
129.05443	6.8
129.06953	2.4
131.08540	6.5
133.10150	11.8
135.11696	9.1
137.09575	2.6
137.13220	5.0
139.11208	3.3
141.05333	2.1
143.08548	4.3
145.04944	10.9
145.10172	4.7
147.11682	7.7
149.13261	5.8
150.24820	1.9
151.07425	2.4
151.11215	3.3
153.12782	2.7
155.08528	2.5
161.09628	2.4
161.13246	7.1
163.14798	6.9
165.00119	1.9
170.84790	2.1
171.11684	4.7
173.13252	2.6
175.14786	7.3
179.14330	2.0
183.06502	7.2
184.07349	32.2
185.07758	15.5
186.07794	20.5
187.08134	3.3
189.16333	2.6
201.07593	4.5
217.60646	1.9
243.13318	2.2
245.22672	11.7
261.22043	2.7
263.23734	28.9
305.24857	3.0
335.25662	2.9
337.27374	100.0
353.24942	2.2
371.25708	6.6
407.28198	2.8
445.29492	3.4
463.30670	3.9
481.32416	12.7
499.33777	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.7
55.01865	6.1
55.05503	10.9
57.03421	8.5
57.07060	9.9
59.05001	39.6
61.02919	5.1
67.05478	7.5
67.13351	2.5
67.85867	2.0
69.03435	30.8
69.07064	36.2
69.16672	21.5
69.17083	2.8
70.06600	12.4
71.04977	8.3
71.08628	5.9
72.08163	3.8
73.02903	9.5
73.06541	9.1
79.05466	3.0
81.03421	21.6
81.07050	7.8
83.04964	3.0
83.08598	7.5
84.04491	4.1
84.08128	9.2
85.02907	78.8
85.06501	2.3
85.10143	4.1
86.09687	5.4
87.00828	41.2
87.04462	7.8
91.05452	3.1
93.07069	3.1
95.04943	2.9
95.08588	2.2
97.02891	42.0
97.10152	9.8
99.04450	13.4
105.01866	65.8
105.05507	18.2
105.07024	3.3
109.02885	30.5
109.10159	16.7
110.07185	3.3
111.11723	48.1
115.11205	7.4
117.05435	3.4
120.08105	3.2
127.03920	71.9
127.11201	38.2
129.01834	2.6
129.10268	2.6
129.12753	100.0
143.10614	2.6
145.04955	34.9
145.12178	6.0
152.55988	2.2
152.57225	2.3
159.02890	12.9
159.11719	3.6
169.10095	6.9
178.44482	2.1
189.03973	2.5
213.03871	6.7
215.16364	8.0
231.04970	26.1
231.13751	2.5
232.13980	3.2
233.17422	14.3
237.14871	3.6
249.06010	14.4
249.14842	2.6
250.15134	3.1
269.17413	5.9
311.62143	2.5
336.09625	2.9
359.16943	2.5
373.13867	9.9
423.79620	2.3
436.40195	2.2
463.15039	2.6
498.14020	2.6
498.20047	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	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01877	6.7
55.05502	0.9
57.03156	1.0
57.03436	15.5
57.07078	1.9
59.05000	1.9
60.05658	0.7
61.02929	8.4
62.12277	0.6
63.92643	0.6
67.05495	4.3
69.03432	27.2
69.07069	16.5
70.06591	6.7
71.01364	3.4
71.04982	2.2
71.24932	1.3
72.08147	2.2
73.02918	47.6
79.05484	1.7
81.03413	4.3
81.07057	16.5
84.04502	2.0
84.08147	3.7
85.02905	55.3
86.09718	4.1
87.04469	3.3
91.03958	2.2
91.05463	0.8
93.07066	1.2
95.04949	5.2
95.08611	4.0
97.02892	46.7
99.04459	3.0
103.03929	2.1
105.07034	1.4
107.08598	5.0
109.02872	5.7
109.06522	1.8
109.10154	9.2
110.07176	1.3
115.03928	26.4
120.08113	2.3
121.06531	0.7
121.10147	1.5
123.11707	100.0
125.02355	0.8
127.03914	21.8
129.10216	2.2
132.06564	0.9
133.04965	28.3
136.07541	1.3
137.05937	0.7
144.06573	1.7
145.04959	27.0
147.04361	0.8
147.11659	0.9
150.07693	0.9
151.11186	38.0
162.07700	1.3
163.05991	9.0
169.12239	38.4
177.05606	0.7
181.04933	2.4
187.13264	0.9
193.04977	0.9
199.06000	1.6
213.12495	1.2
217.07022	1.5
219.13765	1.1
223.06026	4.4
237.14897	1.1
241.07106	7.0
247.13226	1.7
259.08163	8.4
265.14328	2.7
276.10852	0.8
277.09189	3.0
283.15390	24.8
294.11789	1.3
295.10278	4.4
301.16525	8.0
312.12866	0.9
313.16470	3.6
475.03271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52913	4.1
51.57933	3.5
53.03949	5.9
55.05500	12.6
57.03434	6.0
57.07075	11.0
58.24041	3.8
59.04995	5.8
67.05494	19.0
68.41363	3.9
69.03425	14.0
69.07066	9.7
69.48821	26.1
75.04484	7.4
79.05499	35.6
80.68242	3.7
81.07061	33.2
83.04984	11.7
83.08598	8.2
85.06525	13.6
85.10155	4.3
85.21558	3.6
86.09710	4.7
89.06041	4.6
89.90967	3.9
91.05484	37.9
93.07052	23.2
93.43975	4.4
95.04964	15.8
95.08611	22.1
97.02905	25.2
97.06528	11.5
101.06001	4.8
103.05466	6.8
104.10731	9.6
105.07048	71.3
107.04900	4.5
107.08591	26.7
109.06519	59.2
109.10139	10.6
111.08092	73.6
115.05469	5.0
117.07054	19.6
119.08577	44.6
121.06499	16.4
121.10128	16.0
123.08086	77.5
124.99995	4.7
125.05975	16.6
128.06235	6.8
129.07030	15.6
130.07782	4.9
131.08577	30.9
133.06433	7.2
133.10156	24.7
135.08041	22.0
135.11679	8.5
136.08833	6.7
137.09648	31.1
141.06985	11.1
142.07811	7.0
143.08580	25.6
145.06509	4.4
145.10117	37.2
147.08060	33.7
147.11684	11.3
149.09615	18.7
151.07555	96.4
153.07066	8.4
153.09113	85.3
155.08580	21.1
156.09369	7.9
157.10173	23.5
159.08055	12.7
159.11697	11.3
161.09581	23.2
163.11162	23.2
165.09177	4.4
166.07782	6.1
167.08629	13.8
168.09334	8.6
169.10136	16.2
171.11731	22.2
172.08865	5.5
173.09625	14.7
173.13263	20.4
175.11153	5.6
179.08722	3.9
179.09201	5.0
179.10664	39.2
181.10170	23.5
181.12300	19.0
182.10881	10.1
183.11674	37.4
184.07356	12.8
185.09700	7.1
187.11113	10.4
189.12773	22.7
191.14381	9.6
192.11409	7.2
193.10185	7.0
193.12233	8.7
195.11746	10.7
197.13228	12.9
199.11177	28.6
201.12759	5.3
207.11702	10.8
207.13805	88.7
209.13350	6.7
209.15231	9.0
211.13208	8.3
213.12796	14.9
213.16487	4.3
214.13536	17.9
215.14291	14.9
221.13335	5.4
225.12729	17.6
227.14325	4.4
257.15399	100.0
285.18640	4.4
292.14716	4.4
323.03568	4.4
329.21121	13.1
415.25769	4.7
423.32599	6.8
433.27289	10.5
447.28815	14.5
465.30182	42.7
479.31628	14.3
497.35837	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.4
56.51424	2.2
57.07073	7.4
59.05000	4.5
60.08169	19.9
61.08497	4.1
67.05512	10.9
69.03448	2.6
69.07053	3.4
70.96235	5.2
71.04996	5.5
71.07365	4.5
75.04484	26.7
79.05486	13.9
81.07061	14.9
82.05544	2.4
83.05002	2.6
83.08649	3.1
85.02876	2.1
85.06541	21.4
86.09712	48.3
87.10032	14.0
91.05486	18.3
93.07026	16.2
95.04979	7.7
95.08594	12.1
97.10149	3.0
98.98456	2.7
99.08128	2.2
100.34714	2.6
104.10747	97.8
105.07039	23.1
105.11073	25.8
107.08611	11.7
109.06520	14.0
109.10165	3.6
111.08085	13.4
117.06311	2.3
117.07011	12.7
119.08585	15.1
121.06503	6.9
121.10143	7.1
123.08064	47.1
125.00002	32.7
125.06018	4.6
125.09590	2.5
126.00260	2.2
128.06277	3.2
129.06984	5.9
131.08546	21.1
133.06512	4.7
133.10133	14.7
135.08080	17.5
137.09578	5.6
139.07523	3.1
142.07816	3.9
143.08583	12.9
145.10144	11.7
147.08031	6.5
147.11719	5.3
148.08768	3.2
149.09593	12.8
150.31723	2.3
151.07547	51.7
151.11195	3.0
153.09167	6.1
155.08513	5.1
157.10114	12.2
159.08070	5.4
159.11647	10.8
161.09630	9.3
163.11197	17.9
164.12009	3.4
165.09093	12.1
167.08649	3.8
167.10672	2.5
168.09465	2.6
169.10149	10.0
171.11699	8.1
173.09653	6.4
173.13348	3.1
175.11234	3.0
177.09108	5.6
179.10739	4.8
181.10155	8.0
181.12212	4.3
182.10953	2.8
183.11708	10.8
184.07349	100.0
185.07709	20.6
185.13263	5.8
187.11227	6.2
189.12704	12.0
191.10597	2.5
193.10233	2.9
193.12111	2.8
194.10995	3.8
195.11771	8.3
195.13716	2.5
197.09526	2.8
197.13315	3.7
199.11230	10.4
205.12042	2.3
207.11940	3.9
207.13792	32.3
209.13304	6.9
209.15291	3.4
211.11328	3.7
211.13156	4.2
211.14883	6.6
213.12749	3.1
215.14185	3.5
221.15355	4.6
225.12772	5.4
227.14394	4.1
231.13818	4.1
231.25302	2.6
238.13806	2.7
251.16431	7.0
253.15749	2.9
255.14261	3.8
255.17099	17.0
257.15359	7.6
285.18625	6.0
287.16565	3.4
289.18051	9.1
311.20163	4.6
314.27628	2.5
343.22668	46.7
405.18863	2.9
423.32712	3.1
433.27200	4.5
465.30188	15.2
479.33209	10.2
497.33289	81.2
515.01251	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	497.2
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04335	0.4
54.20119	0.4
56.05032	0.7
57.03446	0.5
69.03428	1.1
69.07069	0.5
70.02906	0.4
70.06590	5.1
71.51814	0.6
71.52238	0.6
72.08148	1.4
77.35381	0.5
79.05441	0.5
81.07055	0.9
84.04511	1.2
84.08148	3.6
85.02927	1.1
86.09724	3.4
91.05481	0.7
95.04941	0.6
95.08611	0.6
110.07183	1.2
117.40965	0.5
120.08130	1.6
126.71902	0.4
127.03949	1.1
129.10252	1.6
136.07625	0.7
147.04451	0.8
181.04933	1.3
182.25816	0.6
184.68510	0.5
217.11986	0.5
224.62633	0.5
227.05203	0.6
229.89212	0.5
235.45401	0.6
245.06445	0.6
247.93445	0.5
249.14665	7.5
257.12863	0.7
277.14227	1.7
285.12448	0.9
291.15811	0.6
297.32611	0.6
393.18774	1.3
411.19919	13.3
417.17325	0.7
435.19720	0.7
453.21008	37.3
497.19980	100.0
498.20209	1.6
520.69244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3396
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.40527	0.4
56.05025	1.2
56.75805	0.5
57.03422	0.7
57.07075	2.7
58.06595	1.1
59.07378	0.5
60.08167	16.1
67.05489	0.7
67.21233	0.5
70.96320	1.0
71.07380	5.8
71.08628	1.6
81.07043	0.8
85.10169	0.5
86.09709	49.2
95.08617	1.0
98.98470	3.4
104.10747	100.0
111.80781	0.5
116.42794	0.5
125.00008	26.1
163.01559	1.1
184.07344	91.4
223.78836	0.5
233.87627	0.5
258.11038	0.8
313.27454	1.6
478.32932	9.9
496.33984	45.1
497.34326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03428	1.5
58.02985	0.8
59.29396	0.7
61.02920	1.4
67.05495	1.5
69.03441	6.6
70.06595	6.6
71.51579	1.5
73.02924	1.0
81.03407	1.7
84.04513	1.3
84.08145	1.2
85.02908	8.1
86.09691	2.5
87.04469	0.9
88.06989	0.8
94.06585	0.9
95.04981	1.5
96.04449	0.7
97.02910	3.7
99.04482	1.3
110.06057	1.2
120.08125	5.2
121.02892	0.7
122.06100	1.1
124.07563	1.2
127.03969	1.4
130.06561	0.7
136.03983	1.3
136.07556	2.4
138.05502	3.4
140.07079	0.9
147.04382	1.7
150.05481	1.3
152.07068	2.5
154.04955	1.9
157.55627	0.9
166.05013	2.4
168.06580	1.0
180.06572	1.7
181.04897	1.0
184.07536	1.2
186.09206	1.9
198.09143	2.6
200.10794	1.0
201.10207	1.7
202.08641	1.0
211.08737	2.1
212.07051	2.2
214.08652	2.0
215.08226	2.4
215.11705	1.4
221.05910	0.8
225.06461	1.0
226.08707	4.1
227.08234	2.6
228.10384	0.9
229.09836	3.8
230.06441	0.9
230.08357	1.7
231.07614	0.9
239.08104	2.6
240.06749	1.2
240.08972	3.2
241.09799	2.7
242.10550	2.2
243.11252	2.1
244.09772	1.7
245.10471	2.6
253.09697	3.3
254.08119	3.3
256.09833	0.9
257.09207	6.4
258.10028	1.5
259.10794	2.8
268.08377	1.7
271.10757	4.0
272.09177	5.9
275.10251	3.6
281.08920	1.1
286.09482	3.3
287.10202	2.8
289.11816	18.7
299.10306	8.2
300.08722	3.0
301.11768	0.9
317.11325	46.1
335.12384	100.0
418.96405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.4
57.03430	0.2
57.07085	0.6
58.06641	0.5
60.08168	5.8
63.44221	0.1
66.54756	0.1
67.05516	0.3
68.96439	0.1
71.04984	0.1
71.07380	2.6
71.08636	0.4
81.07067	0.2
83.08603	0.2
85.10185	0.3
86.09709	28.0
87.37437	0.1
93.07050	0.1
95.08623	0.3
98.98473	2.4
104.10758	2.6
106.26491	0.1
109.10172	0.3
115.05492	0.1
125.00011	19.7
135.33202	0.1
143.01038	0.2
156.49596	0.1
160.21017	0.1
162.97838	0.1
184.07347	100.0
185.07750	0.2
258.10788	0.2
311.69827	0.1
313.27457	0.3
337.73688	0.1
379.95056	0.1
385.78122	0.1
478.32968	1.3
496.27020	0.2
496.33978	3.9
505.13895	0.1
509.31961	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	496.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.6
53.03944	1.0
55.01865	1.5
55.05519	7.8
57.03438	2.2
59.04969	1.8
59.97897	0.9
61.02908	3.4
67.05495	4.5
69.03419	2.5
69.07061	1.7
70.06606	6.3
70.87749	2.9
71.04997	1.8
72.08146	2.2
79.05479	3.1
81.03410	3.6
81.07056	6.9
83.05000	1.2
83.08619	4.8
84.04504	1.7
84.08128	5.1
85.02885	4.3
86.09702	8.2
87.04480	1.0
91.05490	18.7
92.05825	5.2
93.07056	8.8
95.04975	1.7
95.08598	2.3
97.02885	4.3
97.06512	3.4
99.00819	8.3
99.04456	2.7
102.05531	1.2
103.03963	1.3
105.07035	6.2
107.04906	4.1
107.08570	3.7
109.02882	7.6
109.06480	1.9
109.10150	2.2
110.07175	2.4
111.08080	3.0
111.91531	0.9
115.08646	0.9
117.06996	1.7
119.08611	6.1
120.08104	2.6
121.06499	3.0
123.04421	1.1
123.08062	2.0
123.11674	1.1
125.07017	1.1
127.03948	6.0
129.10213	2.8
129.56895	1.1
131.08568	1.6
133.06569	1.5
133.10132	22.6
135.08070	1.5
139.07541	2.2
143.08521	3.3
145.04912	2.1
151.11176	6.4
161.09619	12.6
171.08055	3.1
179.10690	8.4
185.11839	1.0
189.09132	6.7
197.11728	2.3
207.10146	4.5
217.08664	1.5
225.11240	12.0
243.12302	4.3
281.13879	5.7
299.14902	100.0
300.15308	1.4
317.15942	3.4
405.17654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14096	1.8
53.03941	4.2
54.11428	1.5
55.01880	4.8
55.05513	18.8
55.66833	1.9
57.03444	13.1
57.07074	1.9
64.03621	1.6
67.05511	31.7
69.03416	4.4
69.07073	9.7
70.06601	3.8
71.04987	8.3
71.52210	2.0
72.82010	1.6
79.05491	29.9
81.03424	67.8
81.07059	34.2
82.64011	1.5
82.94434	1.5
83.04996	17.7
83.08627	22.3
84.08122	2.7
85.02910	35.0
85.06553	3.3
86.03896	1.6
86.09721	2.5
91.05489	39.3
93.07049	22.8
95.04974	32.9
95.08604	14.8
97.02898	4.9
97.06531	5.3
97.10190	4.4
105.07043	30.4
107.04959	6.8
107.08598	11.2
109.06518	6.8
109.10169	5.2
111.04482	3.3
111.08063	10.2
113.06013	2.6
117.07021	2.1
119.08588	23.9
120.08147	2.3
121.06531	2.8
121.10143	15.6
123.08102	4.2
123.11690	2.8
125.09652	4.3
129.07019	13.5
131.08568	12.7
133.06505	3.3
133.10153	11.3
135.08125	2.1
137.39011	1.7
142.07762	3.5
145.10173	2.8
147.08095	4.1
147.11702	18.8
149.09686	7.7
155.08617	2.1
157.10138	15.1
157.40553	1.9
163.11229	2.6
165.12764	4.1
175.11168	14.6
183.11607	2.2
189.11356	2.0
193.12262	58.7
211.13309	86.3
256.07242	3.3
267.15875	11.8
285.17044	5.8
287.88187	2.0
310.35895	1.9
385.23840	4.6
459.27429	5.6
477.28265	11.9
495.29575	100.0
495.87677	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	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.05517	19.0
57.03443	22.2
57.07056	2.9
61.02930	22.2
65.03938	3.0
67.05507	44.6
69.03438	21.2
69.07072	17.5
69.27850	15.9
71.01352	6.0
71.04986	6.1
73.02923	19.7
79.05070	3.3
79.05500	43.7
81.03423	18.1
81.07061	43.1
83.04979	6.3
83.08636	8.6
85.02909	32.3
85.06554	3.1
87.04468	3.5
91.03973	11.3
91.04903	2.5
91.05483	48.0
93.07050	51.2
95.04976	10.9
95.08616	30.2
97.02900	23.4
97.06540	6.4
97.10178	2.7
98.21492	2.7
99.04450	4.3
99.08115	2.0
101.02384	4.2
103.03932	5.8
103.05442	4.4
105.07036	53.1
107.04945	8.8
107.08600	32.0
109.02903	3.3
109.06523	5.2
109.10183	12.4
111.04456	5.7
111.08068	3.9
115.03951	3.6
115.05456	5.0
117.07034	31.5
117.68306	1.8
119.07809	3.4
119.08596	42.7
121.06506	7.3
121.10159	14.5
123.08046	3.8
123.11710	3.9
127.03935	7.3
128.06264	6.4
129.05515	3.9
129.07013	24.1
130.07799	4.1
131.03439	2.2
131.04964	3.8
131.08578	45.1
133.06488	6.5
133.10126	28.8
135.08051	7.1
135.11719	11.4
137.09590	2.4
141.07018	8.4
142.07790	5.7
143.08583	25.2
144.09264	2.0
145.05045	3.4
145.06503	13.0
145.10127	40.1
147.08098	6.5
147.11707	21.2
149.09628	5.4
149.13268	5.1
151.07509	3.0
153.07092	2.6
154.07823	2.7
155.08548	14.9
156.09386	3.5
157.06490	5.4
157.10139	23.6
159.08067	11.6
159.11702	26.8
161.09680	7.2
161.13239	11.8
163.11182	5.0
163.14813	3.0
165.07072	2.9
166.07802	2.0
167.08604	7.7
168.09416	2.3
169.10126	15.0
171.08049	8.0
171.11687	19.3
173.09604	8.4
173.13243	16.0
175.11206	4.7
175.14859	5.5
177.12799	3.0
179.08598	2.0
181.10176	10.3
183.08058	5.0
183.11684	13.6
185.09702	6.4
185.13274	13.8
187.11211	7.5
187.14830	6.2
189.12769	3.3
191.14314	2.9
193.10197	4.1
195.08131	2.4
195.11729	6.2
197.09695	4.8
197.13300	7.0
199.11180	9.1
199.14859	6.5
201.09218	3.2
201.12787	4.1
207.11780	2.4
209.09627	3.6
209.13293	4.4
211.11212	4.0
211.14832	6.4
213.12817	5.5
213.16435	2.9
215.14326	3.5
217.15787	2.3
221.13315	2.4
223.11235	4.0
223.14873	3.1
224.11948	1.8
225.12856	4.3
227.14445	4.1
227.17928	1.8
237.12724	2.4
239.14432	2.9
241.19576	6.0
247.17068	2.3
253.19545	3.6
255.17444	1.9
257.19003	5.0
259.20642	10.9
269.18964	3.8
271.20605	6.1
273.22040	3.2
275.20099	3.9
277.21884	3.3
283.20697	4.0
285.22260	3.7
287.20111	3.3
289.21857	3.9
295.20541	2.5
297.22061	2.3
299.20169	3.5
301.21585	9.2
313.21655	8.9
315.23203	3.9
317.20944	2.3
319.22897	1.9
321.22101	2.2
325.21539	10.1
333.24292	19.7
337.21500	3.4
339.23187	7.4
343.22720	6.9
345.24414	2.5
349.21054	10.8
351.25443	2.4
355.22855	2.8
357.24292	5.2
361.23743	9.4
363.25449	9.5
367.22672	22.4
373.23883	3.1
375.25348	14.6
377.26801	3.1
385.23621	13.0
387.25302	7.2
393.26346	2.9
403.24719	10.0
405.26462	5.0
413.26291	2.4
417.26431	11.6
423.25342	4.3
429.26553	15.9
441.26437	41.7
459.27429	32.7
477.28543	39.3
495.29584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04214	2.4
53.03945	9.5
55.01873	12.3
55.05519	32.9
57.03439	38.1
57.07080	5.8
61.02655	4.2
61.02932	59.3
65.03907	6.5
67.05511	71.1
69.03434	44.4
69.07069	27.8
69.37730	9.0
69.38153	12.0
71.01356	9.6
71.04996	8.8
71.08623	2.3
73.02920	44.8
75.04494	2.8
79.05493	81.4
81.03430	25.0
81.06635	1.6
81.07055	73.2
83.04977	12.4
83.08616	15.3
85.02907	76.8
85.06530	8.5
87.04440	5.9
91.03962	46.1
91.04903	4.0
91.05481	93.7
93.07050	94.3
95.04981	16.9
95.08604	51.7
97.02898	56.4
97.06528	6.4
97.10172	7.4
99.04434	14.0
99.08076	3.1
101.02380	10.5
101.06022	2.5
103.03933	9.9
103.05455	5.7
105.04487	4.4
105.07034	100.0
107.04964	10.2
107.08594	54.3
109.02880	6.4
109.06522	10.1
109.10154	16.2
111.04449	7.8
111.08094	3.7
115.03933	8.4
115.05471	5.3
116.06235	3.2
117.05472	2.3
117.07025	44.1
119.08586	73.0
121.06528	10.4
121.10144	37.7
121.74912	2.5
122.62078	2.8
123.04430	3.5
123.08070	6.5
123.11691	6.3
127.03911	15.3
128.06264	9.8
129.05484	8.7
129.07001	30.6
130.07799	3.5
131.08572	64.4
133.06487	8.8
133.10141	54.1
135.08058	5.0
135.11699	31.9
137.09634	6.4
141.07021	8.5
142.07813	8.2
143.08572	32.0
145.04980	10.8
145.06487	9.1
145.10146	53.1
147.08031	5.5
147.11681	29.3
149.09648	7.1
149.13284	13.5
151.07622	2.7
153.09081	2.8
155.08553	16.1
157.06537	4.3
157.10143	27.9
159.08083	11.3
159.11702	45.1
161.09653	9.7
161.13258	25.8
163.11198	8.2
163.14781	5.0
165.12755	2.7
167.08536	3.8
168.09309	3.6
169.10204	17.0
171.08078	7.0
171.11707	32.0
173.06073	2.8
173.09602	6.0
173.13261	25.0
175.11270	6.5
175.14854	6.1
177.12820	7.2
179.08575	3.3
181.10109	11.3
183.08104	5.3
183.10243	2.5
183.11737	13.4
185.09726	3.5
185.13235	20.4
187.11195	9.8
187.14856	7.6
189.12703	4.8
191.14441	3.5
193.10138	3.8
195.08136	4.0
195.11732	9.8
197.09682	4.8
197.13290	9.8
199.11235	6.0
199.14857	11.5
201.12784	5.4
201.16415	2.8
203.14397	4.4
209.13283	7.7
211.11217	8.5
211.14925	5.0
213.12799	5.3
213.16397	6.2
215.14473	5.7
221.13277	5.3
223.11320	4.3
223.14819	5.0
225.12854	3.8
227.14368	2.8
231.71735	2.8
237.12766	3.8
239.18028	3.4
241.19475	14.0
243.21313	2.5
245.52063	2.9
253.19601	3.5
257.19058	8.6
259.20621	27.2
267.21207	2.7
269.19131	4.6
271.20477	12.4
273.22208	7.0
275.20197	3.4
277.21619	5.0
283.20758	4.8
285.22223	6.2
287.20099	6.6
289.21799	4.7
295.20557	3.6
301.21722	15.1
303.23413	3.2
311.20139	4.1
313.21652	12.0
315.23190	8.2
317.21350	4.1
325.21649	11.0
331.22699	7.5
333.24274	56.5
337.21722	5.7
339.23309	7.1
343.22794	8.7
345.24344	6.9
346.06970	3.1
349.21677	4.6
349.23807	5.2
351.25259	5.2
355.22736	2.8
357.24405	5.6
361.23880	6.7
363.25317	5.9
367.22653	19.8
371.59137	3.2
375.25415	21.3
385.23737	14.1
387.25067	8.0
403.24661	12.3
405.26602	3.1
413.26785	3.0
417.26471	8.9
423.25211	6.3
429.26273	12.3
441.26392	53.1
443.30984	2.8
453.52695	2.6
459.27454	38.1
477.28412	32.0
495.29514	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05512	1.1
56.05019	1.0
65.03955	4.7
65.07110	0.9
69.03454	1.8
69.69894	2.8
69.70299	1.2
70.06602	6.4
71.05013	1.0
72.08170	3.5
73.39854	0.7
74.06078	1.0
75.34210	0.6
76.34556	0.6
78.28338	0.8
81.03421	4.5
83.04967	0.8
84.04504	1.8
84.08144	5.0
85.02907	6.9
86.09718	7.0
87.10046	0.8
91.05492	100.0
92.05804	0.8
93.07053	1.3
95.04965	0.8
97.02903	10.3
98.20860	1.6
99.04472	10.4
99.42843	0.7
102.05562	1.1
103.03946	6.5
105.07027	1.3
107.08594	0.7
109.02895	8.3
109.10179	0.9
110.07168	1.5
119.04987	1.2
119.90412	0.7
120.08127	4.1
120.08883	0.8
121.06385	0.7
121.44502	0.6
127.02969	1.4
127.03936	29.6
128.06287	1.3
129.07034	4.0
129.10265	3.3
136.07512	1.2
139.33000	0.7
142.18465	0.7
143.08549	3.7
145.04979	5.7
153.07024	1.2
157.06581	1.4
163.06036	2.1
171.08109	2.7
175.07559	1.5
181.04991	2.1
189.09244	0.9
199.07578	5.7
217.08624	5.7
224.33087	0.8
235.09695	1.8
253.07181	1.7
271.08109	1.7
289.09241	1.6
302.10059	0.8
343.11801	1.3
351.03867	1.2
361.12628	1.5
369.04932	1.6
379.13818	2.7
467.70615	0.7
477.14935	1.1
495.18475	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.05041	0.6
57.03446	0.2
57.07073	0.2
58.06612	0.4
60.08166	6.0
67.05510	0.7
69.07064	0.7
69.96172	0.9
70.06582	0.3
71.07378	2.6
79.05490	0.5
81.07047	0.6
81.65246	0.2
83.08626	0.6
86.09708	29.3
88.07606	0.2
91.05481	0.4
93.07036	0.4
95.08612	0.6
97.10236	0.2
98.20749	0.3
98.98464	2.7
102.09214	0.2
104.10732	2.9
105.07022	0.3
109.10162	0.3
119.08604	0.3
121.10150	0.4
125.00006	19.4
135.11646	0.2
137.53336	0.2
143.01140	0.2
149.02365	0.7
184.07341	100.0
193.04994	0.8
213.02687	0.2
221.47713	0.2
237.07513	0.4
237.25310	0.2
284.29413	0.5
324.06833	0.2
476.31253	1.1
494.32806	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3243
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
51.99997	0.5
55.05512	2.6
56.05030	1.4
56.12152	0.4
57.03439	0.5
57.07066	0.6
58.06594	1.5
60.08164	16.9
67.05495	1.9
69.07071	2.7
70.06580	0.7
71.07375	6.4
71.49545	0.4
71.52038	0.8
79.05484	1.3
81.07059	1.7
83.08615	1.1
86.09708	46.6
93.07040	1.0
95.08614	1.4
97.10162	1.0
98.98481	3.2
104.10744	100.0
107.08640	1.0
108.77434	0.4
111.11704	0.5
119.60804	0.5
121.10144	1.0
125.00005	27.2
184.07343	94.2
193.04996	0.9
198.32693	0.4
237.07567	1.0
258.11011	0.9
284.29538	0.6
295.97736	0.6
311.25903	1.6
396.27972	0.5
476.31284	8.0
476.37891	0.7
494.32458	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	494.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.1
56.05035	20.6
58.06594	5.4
60.04537	2.4
62.62029	1.6
63.39145	1.5
67.05500	1.7
69.07043	1.8
69.71934	5.6
69.72337	3.9
70.06602	30.7
71.06932	2.0
72.07756	3.3
72.08160	65.1
73.02922	2.7
74.06081	25.1
81.03399	1.6
83.06110	46.7
84.04512	100.0
84.08157	14.1
85.02917	1.8
86.09713	19.7
88.03994	4.3
91.05494	2.3
95.04974	1.8
95.08621	2.2
97.02932	1.9
101.07150	95.7
102.05550	3.2
103.05497	3.4
105.07005	1.9
107.08582	2.0
110.07156	4.9
110.09692	7.1
110.95068	1.7
112.07657	2.3
112.08713	2.1
112.11330	2.5
117.10284	5.0
119.08440	1.8
120.08115	84.2
128.10722	17.7
129.06616	5.2
129.10242	13.5
130.63754	1.8
132.10233	3.3
133.10117	1.6
135.11754	1.9
136.07591	3.3
147.07787	2.0
149.06023	2.1
151.64531	1.8
155.11823	3.4
163.03903	3.7
166.08655	37.8
173.12872	88.0
186.09158	6.3
201.12369	31.2
228.13560	2.3
230.12978	5.4
231.11333	25.5
232.09654	2.8
252.06642	1.9
256.12964	2.0
257.75629	1.7
259.10977	2.3
276.13452	94.2
277.11832	63.7
277.14737	2.9
294.14490	70.0
329.18222	26.9
393.21472	2.4
476.25177	2.7
494.26135	3.1
495.18549	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	493.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
53.78164	0.8
55.01889	1.1
55.05507	2.7
57.03434	0.7
57.57316	0.7
59.04985	1.2
65.03935	1.0
67.05494	3.2
69.03414	3.0
69.07066	1.9
69.62395	0.7
70.06578	3.4
70.15700	2.4
71.04995	8.7
72.08145	1.1
74.53983	0.8
78.77618	0.7
79.05493	2.7
81.03431	2.2
81.07054	6.4
83.04970	1.0
83.08624	9.8
83.29652	0.7
84.04486	0.7
84.08142	2.2
85.02918	3.8
85.06527	4.3
86.09707	4.9
87.00818	1.7
89.06016	2.2
91.05474	2.5
93.07040	3.6
95.04961	2.7
95.08622	6.3
97.02879	1.4
97.06557	0.9
99.04456	16.7
99.08078	2.2
103.78497	0.7
105.07020	2.8
107.08601	13.2
109.06523	28.0
109.10158	7.5
113.09636	2.0
117.06999	1.4
119.08591	2.1
120.08101	1.8
121.06555	0.8
121.10147	6.4
123.08073	100.0
123.11713	13.7
125.09642	2.1
126.96619	0.8
127.03912	2.5
127.11204	1.2
129.10222	1.9
131.04846	0.8
131.08597	2.2
133.10117	5.3
135.08086	2.7
135.11716	1.1
137.05963	2.7
137.09647	1.6
143.08597	0.8
145.10146	2.3
147.11720	2.2
149.09648	2.1
149.13243	3.0
151.11212	2.7
153.09106	11.5
153.10332	1.0
165.12785	7.1
169.12224	1.7
173.13287	3.6
177.12740	2.0
183.13820	43.2
191.14340	6.5
195.13876	1.1
209.15376	9.9
211.16962	2.2
225.69260	0.8
227.16431	43.2
245.17546	1.5
274.71832	0.7
316.05826	1.3
331.08090	5.0
417.01105	1.0
486.33649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59688	2.4
53.03942	11.4
55.01878	32.6
55.05516	35.4
57.03441	36.6
57.07070	4.4
58.27969	2.1
61.02931	3.1
62.20131	2.3
65.03957	5.1
67.05141	4.3
67.05505	69.6
69.03428	8.5
69.07072	37.7
71.04983	8.4
71.53236	2.1
71.53680	2.7
73.02911	6.0
78.96269	2.6
79.05496	66.5
80.06279	3.6
81.03415	22.5
81.07061	100.0
82.04208	5.2
83.04986	26.4
83.08624	18.1
85.02900	4.2
85.06563	4.6
91.05489	49.3
92.55193	2.5
93.07049	60.4
94.04201	7.4
94.07826	3.3
95.04974	55.0
95.08611	36.7
96.05744	9.4
97.02890	7.7
97.06556	15.5
97.10144	14.0
98.03685	3.0
99.04454	8.1
99.08103	4.3
105.07026	39.8
106.07822	4.1
107.04966	37.2
107.08610	39.1
108.05729	5.6
108.09415	4.4
109.02901	4.3
109.06521	26.3
109.10147	21.4
110.07278	6.3
111.04478	19.3
111.08102	16.9
115.05474	4.3
116.04750	15.3
117.07025	25.4
119.04982	4.7
119.08602	39.4
120.09418	3.3
121.06517	18.2
121.10136	27.8
123.08076	26.9
124.08835	8.2
125.09658	10.3
125.90845	3.1
128.06213	2.7
129.05486	35.2
129.07013	8.0
130.07796	3.7
131.08589	28.6
133.06474	8.3
133.10144	19.0
135.08090	12.1
135.11711	19.7
137.06026	5.1
137.09602	11.2
139.11191	10.7
143.07004	9.6
143.08559	7.9
145.06490	5.4
145.10107	23.1
147.08041	15.4
147.11684	10.6
149.09644	24.3
149.13237	3.6
150.10408	4.5
151.11221	6.7
153.09142	3.6
153.12714	5.0
153.42780	2.6
155.08614	3.1
157.08577	4.5
157.10097	5.6
159.08107	6.4
159.11699	14.8
161.09666	15.4
161.13298	3.1
162.10402	4.2
163.11191	37.5
164.11966	5.5
165.09123	9.3
165.12755	4.7
166.09857	3.3
169.10170	5.5
171.10257	5.9
171.11696	7.7
173.09599	7.1
173.13309	3.6
175.11189	7.4
177.09097	3.5
177.12730	19.0
181.12250	7.1
182.93044	3.1
185.11754	8.3
185.13300	3.5
187.11183	8.9
189.11226	7.7
191.10666	6.4
193.12337	6.9
195.13739	3.6
199.11395	2.8
205.12291	6.5
209.11734	4.5
211.13228	6.5
223.13298	17.7
224.94090	4.6
225.14902	4.2
227.12700	5.8
227.17932	4.4
245.18968	3.9
249.14857	5.1
255.17627	5.4
267.15994	3.7
273.18494	50.2
274.19205	18.7
279.15872	11.5
291.19550	81.9
292.20258	10.6
297.16946	14.9
298.17636	4.6
339.33926	3.4
347.22183	5.3
352.25580	10.3
365.23242	4.2
366.24118	16.7
401.09518	4.9
461.28259	2.9
474.39587	4.6
475.13217	3.8
475.27228	3.7
493.14407	30.3
493.28040	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	493.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81299	0.9
60.04760	1.3
70.68999	2.7
78.95638	23.0
81.47863	1.1
94.93024	1.0
96.92821	1.4
120.97592	1.1
140.40578	1.1
150.94069	19.6
185.04262	9.3
199.85106	1.1
203.05276	30.3
210.94887	3.4
228.95956	2.7
240.96046	2.2
270.96927	4.2
307.23550	1.0
312.97961	3.1
330.99063	2.6
365.10574	100.0
381.07947	53.2
381.11465	0.8
382.07861	1.1
418.50143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14653	0.2
67.05457	0.2
68.61826	0.2
70.06581	0.2
70.19819	0.4
70.20197	0.3
79.05448	0.2
81.07011	0.2
83.04868	0.2
86.09694	0.3
91.05441	0.2
95.04922	0.3
108.54121	0.2
109.10120	0.2
114.90659	0.2
124.05116	0.2
129.10258	0.2
137.05923	0.2
139.00198	0.3
151.03909	2.1
151.05003	0.3
153.01840	0.2
167.00163	0.2
177.05453	0.6
178.69308	0.2
183.02820	0.9
187.03966	0.2
193.40915	0.2
199.02330	0.6
205.04994	0.3
215.03436	0.4
219.06387	0.3
229.04857	0.4
232.03540	0.4
233.04416	0.7
243.02922	0.4
247.06029	1.7
257.04459	0.9
258.05283	0.3
259.06061	0.3
260.03149	1.8
261.03903	0.6
271.02316	0.3
271.05869	0.2
271.08496	0.4
273.07642	0.2
274.04504	0.2
275.05505	5.8
282.70123	0.2
285.03867	0.4
287.05441	0.5
288.02628	0.6
289.06955	0.2
301.07059	0.4
303.04987	10.9
316.02127	2.1
317.06641	0.5
329.06549	0.4
331.04477	26.5
332.04984	0.3
345.06183	1.1
346.06830	47.3
347.07080	0.3
361.09171	100.0
362.09586	1.0
480.94775	0.2
493.13461	9.6
501.52753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01902	2.1
51.02372	2.8
51.16675	2.5
53.03928	7.3
55.01871	31.0
55.05512	30.4
56.43550	2.5
57.03433	27.9
57.07055	3.2
57.33976	2.5
61.02917	4.2
65.03934	6.4
67.05508	74.9
69.03407	9.7
69.07061	32.5
69.47556	5.6
69.47957	15.4
70.06593	2.5
71.04976	9.4
71.08632	2.9
73.02905	5.5
75.28043	2.7
79.05492	67.7
80.06271	3.0
81.03424	23.2
81.06599	5.0
81.07058	98.2
82.04200	4.1
82.07369	3.2
83.04976	32.2
83.08616	14.7
85.02900	7.1
85.06518	4.9
86.39311	2.6
86.79031	2.4
91.05480	53.2
93.07043	56.6
94.04173	7.0
95.04968	52.6
95.08598	28.2
96.05748	6.9
97.02858	4.5
97.06539	12.7
97.10154	13.4
98.03686	2.8
98.07292	3.4
98.20762	4.6
99.04454	6.0
99.08057	5.8
105.07031	40.8
107.04945	39.1
107.08596	31.9
108.05721	6.1
109.06522	26.0
109.10178	18.2
109.87572	2.3
110.07226	4.2
111.04435	20.0
111.08070	12.7
116.04689	11.6
117.07033	19.6
119.07801	3.7
119.08580	41.5
120.09367	3.1
121.06506	19.6
121.10143	28.5
122.07229	4.0
123.04415	4.1
123.08068	30.6
123.11678	5.7
124.08870	3.6
125.09637	12.6
127.11224	3.2
129.05486	32.4
129.06987	10.6
131.04926	3.6
131.08556	28.0
133.06456	10.5
133.10080	16.8
135.08070	16.3
135.11711	16.8
137.05969	5.9
137.09627	14.7
139.07527	3.6
139.11171	15.5
141.06940	4.0
143.07033	8.3
143.08563	11.9
145.06483	4.8
145.10132	25.1
147.08041	18.3
147.11688	9.1
148.08789	2.6
149.09610	22.3
149.13152	3.6
151.07527	2.7
151.11131	5.8
153.09071	5.5
153.12694	8.2
157.08725	5.6
157.10112	7.8
159.08026	6.2
159.11681	10.9
161.09612	17.4
163.11163	37.4
165.09074	5.6
165.12773	6.6
169.10136	5.2
171.07941	3.0
171.10245	3.7
171.11656	8.2
173.09605	2.9
173.13196	5.5
175.11115	7.1
177.12775	12.3
179.10678	3.2
179.14293	4.3
180.14694	4.0
181.12173	8.5
182.92979	3.4
185.11664	7.6
185.13199	3.1
187.11104	3.0
189.11194	10.3
189.12764	5.5
189.91643	2.7
191.10612	7.1
191.14233	4.7
193.12228	5.3
205.12238	6.2
207.13803	2.9
211.13248	3.8
217.15959	3.1
219.13715	3.1
223.13310	17.8
224.94055	4.2
227.12651	6.1
227.17830	3.8
245.19116	2.9
245.33838	2.8
246.19728	4.9
249.14769	7.6
255.17461	8.2
263.16412	6.2
267.15887	4.1
273.18491	56.1
274.19278	16.0
277.21631	3.6
278.22049	3.7
279.15897	4.4
289.00677	2.8
291.19534	100.0
292.20270	11.0
297.16885	7.4
347.22009	7.9
351.25131	4.1
352.25519	10.4
365.23431	5.4
366.23981	10.8
401.09653	6.1
475.12878	6.9
475.27011	3.4
493.14410	41.8
493.27438	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01869	2.0
55.05513	1.6
57.03436	3.8
57.07071	0.5
59.04992	0.7
61.02912	1.2
67.05507	1.8
68.99787	0.8
69.03430	7.9
69.07068	2.8
70.06584	1.1
70.07780	0.6
70.08131	0.9
71.04996	2.2
72.08154	0.4
73.02932	1.7
75.04455	0.4
79.05484	1.1
81.03422	6.6
81.07053	3.3
83.04978	3.1
83.08617	2.0
84.08128	0.7
85.02908	16.3
85.06546	0.8
86.06078	0.5
86.09699	0.9
87.00833	7.0
91.03930	0.4
91.05479	0.8
93.07048	2.8
95.04981	0.5
95.08607	4.0
97.02895	8.7
97.06517	1.0
97.10166	0.8
99.04455	4.3
99.08102	0.5
103.03947	0.8
105.01870	5.4
105.07028	1.8
107.04978	0.4
107.08596	14.0
109.02874	6.6
109.06524	1.8
109.10160	9.9
109.10776	0.2
109.10931	0.3
110.70840	0.3
111.08079	1.6
111.11753	0.5
114.77361	0.3
117.01876	0.7
119.08575	1.2
120.08105	0.6
121.06518	1.1
121.10149	11.3
121.40322	0.3
122.07290	0.4
123.08046	2.6
123.11708	1.9
124.03945	0.3
124.08432	0.3
125.08719	0.6
125.09597	3.6
127.03925	14.0
129.01810	0.8
129.09027	0.4
131.08614	1.5
133.10133	3.5
135.08055	2.8
135.11682	3.1
137.09628	6.5
139.07594	0.4
139.11160	1.5
143.10683	0.7
145.04967	4.4
145.10094	0.9
147.02916	0.4
147.11732	1.2
149.09583	1.4
149.13255	6.4
151.11192	11.2
153.09113	2.0
153.12762	1.2
158.10896	0.7
159.02892	3.3
161.09665	0.9
163.05995	0.5
163.14825	9.6
165.12766	1.2
167.10759	0.4
169.12231	4.2
173.13274	8.8
179.10725	0.4
191.14314	33.2
209.15379	18.7
213.03976	1.3
226.15163	0.5
227.16423	100.0
228.16743	0.9
231.04971	1.5
245.84238	0.3
251.16521	0.4
269.17459	0.3
284.25784	0.4
307.10333	0.4
307.59793	0.3
317.17441	0.6
330.26337	2.4
346.75714	0.4
359.16995	0.4
377.18256	0.4
386.29144	0.4
395.20624	1.2
439.19202	0.5
457.20734	1.5
475.21539	0.5
492.24005	1.0
492.31226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05508	0.5
59.99111	0.2
67.05511	1.8
69.07056	0.3
79.05499	2.7
80.63034	0.2
81.07063	1.6
88.02204	0.5
91.05474	1.0
93.07040	1.5
95.05009	0.3
95.08595	1.0
105.07033	0.9
107.08588	0.7
109.10163	0.5
116.05337	0.8
119.08588	0.4
121.10141	0.4
123.04414	1.7
133.10185	0.4
147.07979	0.2
149.00597	0.4
151.07489	0.3
155.01654	0.5
165.00076	0.3
166.00893	0.5
173.26974	0.3
179.01567	1.0
180.97726	1.2
181.03119	0.3
184.97258	8.8
185.98053	0.3
186.98846	0.7
193.03247	0.2
195.04845	0.4
197.98056	0.4
198.98868	0.9
199.56177	0.2
199.99713	0.5
210.98930	1.7
211.97990	0.3
211.99750	0.6
213.00543	0.3
225.00406	0.3
240.01408	1.8
241.02255	3.2
254.03093	1.8
255.03926	0.5
261.11411	0.2
268.04636	1.2
269.05405	18.5
282.06186	8.0
283.06973	0.7
294.09811	0.8
296.07779	3.2
301.04419	0.2
310.09329	1.0
324.10947	2.1
338.12463	1.8
349.13150	0.3
350.16251	0.3
352.14084	0.8
366.15411	1.3
392.17117	0.4
420.20041	1.3
430.18658	0.3
460.23251	0.6
488.26547	100.0
489.26328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41944	0.3
55.05528	0.4
58.97358	0.3
60.04529	0.4
67.05492	0.8
68.73398	0.4
69.03440	0.8
69.07059	0.8
70.06602	3.5
71.32576	0.7
71.62304	0.4
72.08157	1.0
73.02895	0.4
79.05476	0.6
81.03407	0.8
81.07037	1.2
84.04491	0.7
84.08136	1.4
85.02910	1.0
86.09711	1.5
91.05481	1.6
93.07048	1.0
94.04178	0.9
95.04965	0.8
95.08586	0.6
96.05762	0.9
97.02885	0.7
99.04469	0.4
100.64959	0.3
103.05496	0.3
105.07020	0.8
107.08575	0.5
109.06527	1.1
117.07030	0.5
119.08582	0.5
120.08105	1.1
122.03657	1.4
123.08048	0.5
123.11641	0.4
127.03940	0.9
129.10225	0.7
131.04929	0.4
131.08621	0.5
137.05981	15.5
145.06473	0.5
145.10130	0.6
147.11739	0.5
149.13260	0.4
151.03958	0.4
151.07561	1.5
159.09181	1.5
159.11592	0.4
161.06000	0.4
175.07587	1.1
187.07536	1.0
189.08984	0.4
205.08661	0.4
211.07605	0.9
222.96182	0.7
227.17656	0.4
243.08110	0.6
255.08061	1.0
259.09811	0.5
260.08289	0.7
261.09235	0.5
271.07599	0.6
272.08389	0.9
275.07562	0.4
277.08597	1.0
285.11362	0.9
287.10632	0.5
289.08755	0.9
300.07767	0.5
303.10159	1.6
304.10947	0.5
306.08768	0.5
307.09601	0.6
315.10208	1.8
317.08282	0.8
317.11539	0.7
320.10529	0.7
321.11337	1.2
335.09299	0.6
335.12830	4.9
347.12918	2.4
357.18829	10.1
365.13699	1.0
385.10345	0.9
403.11761	0.7
418.14124	2.4
431.14758	0.7
439.15402	0.6
459.17865	0.7
471.17932	1.8
489.23141	100.0
490.23276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
55.01874	4.5
55.05503	1.6
57.03431	4.9
61.02923	2.8
61.47190	0.9
64.96548	0.8
67.05502	2.7
69.03085	1.5
69.03434	20.8
69.07066	1.4
69.89592	1.8
69.90002	3.5
70.06606	2.2
71.04980	3.9
72.08163	1.7
73.02898	3.9
78.35209	1.0
79.05485	2.2
81.03421	13.0
81.07058	2.2
83.04974	1.3
84.04506	1.6
84.08138	2.1
85.02908	54.9
85.06554	1.4
86.09698	2.2
87.00829	23.2
87.04463	1.7
89.06027	2.1
91.05482	1.8
93.07044	3.8
95.04939	2.0
95.08608	6.9
97.02296	1.5
97.02897	20.5
97.06503	1.5
98.72578	0.9
99.04465	9.2
103.03929	1.3
105.01868	34.9
105.07030	7.9
106.02907	1.4
107.08591	9.3
108.19595	1.1
109.02887	21.9
109.06518	2.9
109.10164	9.4
111.08086	1.2
117.01797	1.2
117.07000	1.4
119.08579	5.6
120.08112	2.9
121.10150	55.2
122.09703	1.2
123.08044	2.9
123.11710	3.4
124.03977	11.2
125.09628	1.4
127.03928	37.4
127.07542	1.2
129.01810	2.2
131.08545	2.6
133.10149	9.6
135.08061	3.4
135.11667	3.4
135.97295	0.9
137.09621	5.1
139.11159	3.5
145.04958	19.6
147.02892	1.1
147.11711	5.7
149.09729	2.0
149.13278	4.7
151.11208	6.0
153.09108	2.2
159.02896	8.3
163.14812	5.2
167.83298	0.9
169.12212	2.8
173.13290	11.9
189.12732	1.8
191.14313	29.0
207.13795	3.3
209.15381	28.4
213.03981	6.0
227.16425	100.0
231.04961	13.9
249.06129	5.3
253.14368	1.2
268.08145	5.9
286.09213	4.4
294.08469	1.0
317.17618	2.1
353.76758	1.2
367.08017	1.1
382.55286	1.0
425.04788	0.9
426.78888	0.9
439.19412	5.0
457.20624	2.3
475.22073	1.2
492.22873	3.4
492.30023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	1.2
51.02371	2.7
53.03949	11.2
55.01887	4.5
55.05516	22.5
57.03432	2.9
57.07050	1.2
59.04998	1.1
65.03942	4.6
65.14861	1.0
67.05511	70.3
69.03419	2.5
69.07072	15.1
69.31877	7.3
71.04987	2.5
73.06547	2.4
74.39362	0.8
77.03918	2.5
79.05499	100.0
81.03430	12.1
81.07060	57.0
83.04991	17.9
83.08625	8.6
84.64405	0.8
85.06539	3.4
87.04436	0.9
88.03249	0.9
91.05488	77.8
92.05824	1.0
93.07049	77.4
95.04978	32.2
95.08614	35.2
97.02893	2.3
97.06527	8.1
97.10173	4.9
99.08089	1.3
103.05455	1.9
105.04553	4.3
105.07040	55.4
107.04964	8.3
107.08597	22.3
109.06532	9.2
109.10195	4.9
111.08067	1.8
113.06078	1.1
115.05470	2.9
115.07590	0.8
117.07032	13.2
119.08589	34.3
120.62964	1.0
121.06507	4.8
121.10161	7.2
123.08061	8.5
127.07580	1.6
128.06230	5.1
129.07014	20.8
130.07782	1.1
131.08588	5.0
133.06519	2.0
133.10144	13.3
135.11690	3.0
136.37694	1.1
137.09596	1.4
139.07587	1.2
141.06970	1.5
141.09029	1.4
143.08560	14.8
145.09059	1.4
145.10136	15.9
147.08086	3.5
147.11699	49.8
156.09393	1.4
157.10077	1.0
159.11719	2.6
161.09668	6.2
161.13275	22.0
163.11177	3.2
169.10146	1.1
171.11700	40.6
179.14349	4.5
189.12746	20.4
207.13809	60.9
225.14867	8.7
263.16513	2.0
267.17081	1.0
281.17462	6.4
309.16977	1.0
411.01016	0.9
459.31390	1.3
469.29681	2.9
487.30569	84.3
488.30673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0845
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
55.05503	0.9
59.03240	0.3
61.02924	0.3
69.03436	0.3
69.07063	0.8
70.06596	2.9
71.08803	0.4
71.09121	0.6
72.08142	0.8
73.02915	0.3
83.05008	0.4
84.04503	0.6
84.08147	1.7
85.02898	0.9
86.09710	2.7
91.05472	0.5
97.02891	0.5
100.11253	1.4
101.11581	0.5
105.07064	0.3
109.02929	0.3
111.24221	0.3
112.04840	0.3
120.08093	1.1
127.03919	0.4
129.10225	0.8
134.70726	0.3
185.04225	11.0
199.17963	0.5
212.65402	0.4
303.05002	0.5
304.05402	0.3
324.02426	6.8
325.03168	6.4
341.02692	0.3
361.04010	0.5
361.67365	0.3
381.01001	0.5
486.37335	2.0
487.08490	100.0
488.08862	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	485.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05504	10.4
55.58783	2.5
57.03436	2.4
57.07076	3.0
65.03967	2.9
67.05510	32.5
68.98184	2.4
69.03440	6.1
69.07069	13.1
71.04989	11.1
77.20914	2.5
78.34765	2.5
79.05487	20.1
81.07060	35.5
83.04999	14.5
83.08620	6.4
85.02888	3.7
85.10215	3.1
87.03358	3.1
91.05503	27.7
93.07053	41.1
95.04969	20.7
95.08611	26.9
97.06541	7.0
97.10199	3.3
98.20792	6.4
104.29616	2.7
105.07044	45.2
107.08606	18.8
109.06521	100.0
109.10159	58.1
111.04442	7.4
111.08073	10.9
115.05453	4.1
117.07032	15.3
119.08589	23.4
121.06510	8.2
121.10149	19.1
123.08070	9.4
123.11763	2.9
124.58273	3.0
125.06053	2.7
128.06252	8.1
129.07028	14.6
130.07800	5.0
131.08554	23.8
133.10129	8.5
135.08067	34.2
137.09622	21.7
139.07565	5.7
139.11201	6.3
141.06958	6.1
142.07785	7.9
143.08586	25.5
144.09335	2.9
145.10123	28.5
147.08070	12.0
147.11761	3.7
149.09650	13.1
151.07567	5.3
153.07019	3.3
154.07755	3.4
155.08572	17.0
155.10669	6.3
156.09322	9.0
157.10155	22.1
159.08070	5.7
159.11699	12.6
161.09615	12.3
165.07011	6.0
167.08505	6.6
169.10159	21.3
170.10919	6.5
171.11736	26.6
173.09639	3.4
179.08548	4.9
179.10698	5.1
180.09346	9.7
181.10072	8.5
183.11716	19.1
185.09702	3.3
185.13289	10.5
187.11217	5.7
193.10162	3.7
194.10796	2.8
195.11740	21.5
197.13306	6.2
201.12744	7.0
207.11734	6.6
209.13283	10.1
211.14833	7.9
213.12799	18.4
227.14301	5.0
229.15953	4.4
235.14836	3.5
253.15921	5.4
271.16943	12.2
321.83459	2.7
393.27780	3.4
485.32901	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	485.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36512	0.3
56.96549	0.6
65.03935	1.7
69.25070	0.3
71.51521	0.5
84.04510	0.5
89.95468	0.4
91.05486	11.9
110.07192	0.6
119.04950	25.9
121.02873	0.4
125.22304	0.4
126.05530	0.4
147.04419	100.0
148.04768	0.9
223.07520	0.4
239.02287	0.5
251.07043	1.9
253.53688	0.4
293.08075	1.5
339.06961	1.0
342.15237	0.4
471.97830	0.4
485.10904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01868	1.3
55.05502	1.4
57.03425	1.7
60.04529	0.7
63.75896	0.4
69.03090	0.7
69.03434	8.1
70.06598	4.3
70.14902	1.8
71.01349	0.5
71.04993	5.7
72.08143	1.8
73.02883	0.6
79.05472	0.7
81.03420	22.5
81.07062	0.8
83.04981	5.3
84.04488	0.9
84.08162	2.2
85.02906	3.3
86.06059	0.6
86.09696	3.5
87.04436	0.4
91.05460	1.2
93.07050	0.4
94.06566	0.6
95.08586	0.6
97.02876	1.0
98.97573	0.6
99.04457	9.7
102.05556	0.5
103.03942	2.1
109.02886	9.7
109.10110	0.5
110.07171	0.9
115.03920	0.7
116.07041	0.4
117.05514	2.6
118.99516	0.6
119.04986	0.7
119.08549	0.4
120.01223	0.5
120.08089	1.6
127.03922	4.2
129.10223	1.3
133.07625	2.5
134.06067	0.9
135.09128	0.9
136.07567	1.2
138.02151	0.6
145.04948	0.8
147.04430	1.0
160.07544	0.9
161.07092	6.5
163.03841	0.5
163.08681	7.3
178.07332	0.7
179.03368	1.2
179.08194	1.5
181.05031	0.5
184.07336	0.9
189.06587	5.6
191.08165	10.7
193.82503	0.5
206.06841	0.7
207.07657	100.0
208.07974	0.6
215.08191	1.1
220.08426	1.3
229.09689	0.8
247.10706	1.4
249.08728	1.2
259.10773	1.0
287.10229	2.3
305.11359	7.1
310.41461	0.6
323.12384	34.9
341.13452	38.6
342.13696	0.8
347.12415	6.5
365.13458	8.3
365.17685	0.3
387.15494	1.3
405.16638	4.8
407.14572	0.5
413.13321	4.3
423.17538	1.6
423.56427	0.5
431.14490	12.4
449.15591	15.6
467.16602	12.7
485.20447	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	484.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83921	0.6
55.05504	2.4
57.07078	27.5
59.05003	1.1
69.07079	1.2
71.08636	26.7
73.06562	6.1
83.08624	3.3
85.09665	1.3
85.10185	25.9
87.04467	3.6
89.06036	100.0
91.07608	0.6
97.10180	0.9
99.11720	2.5
107.07075	1.2
117.09122	4.2
130.08664	2.5
131.07077	1.1
133.08611	48.2
141.16382	4.7
152.20953	0.7
161.11722	0.9
177.11226	22.0
177.12706	1.2
185.19014	5.8
221.13817	4.8
226.21719	1.3
229.21646	12.0
239.15027	1.6
273.24246	8.9
283.17645	3.0
327.20132	11.6
335.28207	1.0
379.30927	1.5
397.66153	0.8
423.33286	1.6
467.35812	23.3
484.38623	3.8
484.47137	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	484.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01875	2.8
55.05506	0.9
55.61574	0.4
57.03438	6.1
59.04999	1.6
61.02929	4.3
69.03428	10.9
69.07073	3.8
70.06580	1.4
70.64898	0.3
70.84391	0.7
70.84703	0.5
71.01360	1.3
71.04983	0.5
71.08633	45.9
72.08153	0.6
73.02919	21.0
74.03197	0.4
81.03419	1.7
81.07037	0.7
84.08138	1.2
85.02908	24.4
85.81475	0.3
86.09708	1.1
87.04465	1.4
91.03956	0.7
97.02895	17.9
98.86451	0.4
99.04466	1.3
99.08094	100.0
103.03967	1.1
109.02860	2.2
115.03931	8.9
120.08124	0.6
127.03925	6.8
129.10204	0.8
129.12758	11.1
132.26030	0.3
133.04967	8.6
145.04962	8.6
155.14314	2.3
163.06018	3.3
173.15375	84.1
174.15660	0.4
193.05083	0.5
199.05995	0.6
217.07088	0.5
218.83109	0.3
223.06010	1.4
226.96617	0.4
241.07088	2.5
259.08090	2.2
280.07251	0.4
295.10220	0.5
325.57877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59893	0.5
55.01862	0.6
61.01146	1.2
62.07544	0.4
67.05512	0.7
68.05048	1.0
69.03430	59.1
70.06586	1.2
70.82464	1.3
72.04529	4.0
73.02919	1.1
74.00684	1.0
78.03786	1.5
85.06546	1.2
86.06075	2.9
86.09703	0.7
95.05003	0.6
98.02442	0.5
98.06059	21.5
99.05554	2.7
102.03784	3.0
113.06025	1.4
114.03761	7.0
120.01143	0.7
120.04755	0.9
121.06671	0.5
124.07613	0.7
129.03700	3.6
130.03200	0.8
131.06326	0.7
132.04794	7.8
132.97763	0.6
140.07066	70.2
142.08658	4.3
143.15979	0.6
146.06348	1.2
147.04434	1.2
147.05878	1.7
149.07437	5.6
159.05855	3.0
163.03868	1.3
167.08148	0.6
172.04254	1.1
179.02055	0.8
184.09727	1.6
199.09038	0.9
200.07558	0.5
217.10063	100.0
218.10280	0.7
227.08478	1.0
243.11630	0.9
249.07307	5.1
261.12729	2.0
267.08350	0.8
322.13074	0.6
329.15308	29.9
354.11594	5.5
361.12372	0.8
379.13394	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	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.9
57.03445	6.9
57.06837	0.8
57.07079	9.3
59.62646	0.6
63.85743	0.7
67.05504	4.0
69.07070	21.5
71.08634	5.7
71.52505	0.8
75.10834	0.6
79.05489	2.5
81.07045	5.1
83.08621	20.1
85.10173	2.7
87.04449	0.7
89.06025	1.2
91.05456	0.9
93.07069	3.2
95.04927	0.8
95.08626	3.6
97.02905	0.7
97.06528	2.5
97.10172	11.2
98.98456	8.6
105.07037	1.0
107.08604	3.2
109.06536	0.8
109.10149	3.2
111.08095	2.0
111.11725	4.0
119.08562	1.0
121.10103	3.1
123.08127	0.8
123.11642	0.8
125.09629	0.9
135.11696	2.2
145.10126	1.3
147.11694	0.7
149.09644	0.7
149.13284	1.3
155.01042	3.8
155.08691	0.7
157.10014	0.8
171.97865	0.7
221.15413	0.8
227.20026	2.4
228.20378	2.6
229.04773	0.7
247.05807	1.0
299.19965	0.7
311.25815	100.0
312.26089	1.4
389.15448	0.8
447.25067	2.0
483.34955	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.05503	8.7
56.32620	2.2
57.07069	2.6
59.05006	5.1
65.03947	2.0
67.05514	16.7
69.03427	19.6
69.07053	6.5
70.58099	2.0
71.04984	4.6
71.52195	2.6
77.03973	2.4
79.05500	14.6
81.07061	19.6
83.04978	10.0
83.08598	5.4
85.02911	4.0
85.06542	6.4
87.04470	3.7
91.05485	21.9
93.07058	21.4
95.04995	12.1
95.08615	14.1
97.02899	100.0
97.06536	8.9
99.04433	3.3
105.06391	4.1
105.07036	41.1
107.04964	2.8
107.08605	23.4
109.06539	19.6
109.10162	9.2
111.08085	4.5
115.05477	3.3
117.07021	10.2
119.08599	29.7
121.06513	9.1
121.10168	17.2
123.04339	2.3
123.08056	12.7
125.09652	7.7
127.07568	3.8
128.06221	8.1
129.05489	9.1
129.07004	7.9
130.07784	3.5
131.08575	21.8
133.06480	6.3
133.10107	17.3
135.08058	14.7
137.09576	3.7
139.07518	6.6
141.07042	5.2
142.07784	8.0
143.08597	19.8
144.09328	4.1
145.06516	4.6
145.10129	18.8
146.07257	4.1
147.08055	9.0
147.11674	6.3
149.05983	2.7
149.09599	9.4
151.07556	15.1
153.09120	3.9
155.08554	6.1
156.09349	6.4
157.10129	22.3
158.10829	2.8
159.08046	27.3
159.11699	7.4
161.09637	16.7
161.13225	2.6
163.07544	9.0
163.11221	6.8
165.07010	4.0
165.09152	2.9
167.08546	4.6
167.10669	13.0
169.08818	2.9
169.10162	8.3
170.10892	2.6
171.11682	12.4
172.08791	3.2
172.98769	2.1
173.09683	13.7
173.13251	6.1
175.11169	7.1
179.08533	4.9
179.10597	2.6
180.09329	3.0
181.10159	6.0
182.10931	4.3
183.11736	10.8
185.13232	7.3
186.10466	2.8
187.11230	7.2
189.09151	3.0
189.12730	5.7
193.10133	8.4
194.10941	2.8
195.11736	9.4
197.13292	8.4
199.11163	5.7
199.14835	4.9
201.12801	3.4
203.10669	2.6
205.10083	2.6
206.10938	4.1
207.11748	10.6
207.13605	3.7
208.12419	4.1
209.13261	6.5
211.11226	4.9
211.14784	4.4
213.12732	6.4
215.14357	4.0
217.12231	3.3
219.11719	4.2
219.13748	3.4
221.13263	9.0
221.15321	3.0
223.11195	3.0
223.14799	5.0
225.12746	4.0
225.16383	6.5
227.14326	3.6
229.12247	4.9
231.11621	3.0
232.12566	2.3
233.13257	5.9
233.15395	4.9
234.14078	3.4
235.14955	3.2
247.14879	5.8
249.16516	11.0
251.14154	3.0
253.15642	2.5
261.16455	4.2
263.16360	9.8
263.18518	4.2
264.18896	3.9
265.15814	3.3
265.19528	2.5
269.15424	2.9
277.15775	2.5
281.15399	2.9
281.18802	3.9
289.19510	4.2
308.42868	2.3
341.22650	3.3
343.22614	4.2
345.21936	2.8
359.23596	4.0
415.26538	4.1
447.28909	8.0
451.28540	3.8
465.29907	7.8
483.31491	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	483.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05029	0.2
57.64874	0.2
67.05503	0.3
67.97447	0.2
69.03416	0.3
69.41524	1.5
70.06591	1.1
70.17053	0.2
72.08130	0.4
76.52271	0.2
79.71642	0.2
81.07057	0.4
84.08131	0.8
85.02898	0.2
86.09702	0.4
91.05457	0.2
93.07043	0.3
98.21541	0.3
105.07059	0.2
107.08593	0.3
109.06496	0.3
119.08624	0.4
120.08118	0.3
121.06524	0.2
121.10127	0.2
129.10214	0.4
133.10167	0.2
137.05869	0.2
139.11169	0.2
142.67659	0.2
147.08105	0.2
147.11732	0.2
157.10049	0.2
185.04184	0.2
217.15900	0.3
235.16869	0.3
259.08005	0.3
321.16776	1.7
483.22028	100.0
484.22437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18476	0.5
54.15998	0.4
55.05510	0.9
58.34562	0.4
58.65030	0.4
65.61192	0.4
69.03429	0.8
69.07082	0.5
70.06591	1.7
71.04977	0.4
71.52525	0.6
73.59873	0.4
79.05492	0.9
81.03429	0.6
81.07056	0.6
84.08160	1.3
85.02898	1.2
85.06566	0.4
86.09682	0.8
88.82374	0.5
91.05489	0.8
93.06998	1.0
95.04968	0.8
95.08633	0.9
97.06508	0.5
97.10162	0.5
105.07030	1.0
107.08583	1.3
109.02883	0.6
109.06549	0.6
109.10176	0.7
119.08592	1.3
121.06572	0.5
127.03922	1.1
131.08600	0.5
133.10153	0.9
137.05957	0.7
145.10101	0.8
149.09592	0.5
161.09705	0.7
163.11108	0.5
173.13394	0.6
185.04214	0.4
189.12845	0.5
203.05254	0.7
217.12341	0.5
235.16890	0.9
259.07803	0.5
317.10272	0.7
321.16699	1.4
483.22031	100.0
484.22406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
55.05513	2.2
55.77482	0.4
56.05024	0.9
61.01134	0.7
67.05479	0.8
69.03435	0.6
69.07074	0.4
70.06601	3.5
71.04987	0.9
72.04507	0.6
72.08145	1.4
76.02221	0.5
77.93430	0.4
78.03786	1.2
79.05482	0.5
81.07046	1.0
82.06573	0.5
83.04984	4.7
84.04498	0.3
84.05320	1.1
84.08141	2.5
85.02900	1.5
85.06543	0.7
86.09711	2.2
91.05495	0.6
93.07066	0.5
94.93760	0.4
97.02885	0.4
102.03754	1.8
102.05535	0.4
107.04951	0.4
110.07178	0.6
114.03748	0.4
114.53931	0.3
119.04951	0.5
120.01224	0.3
120.08119	0.7
123.04404	0.5
127.03938	0.5
129.10266	1.0
131.06421	0.9
132.06657	0.4
133.05086	0.7
135.11752	0.5
136.07620	0.8
138.05489	0.7
141.12779	0.8
145.02856	0.6
147.04414	0.6
149.07454	2.8
150.07747	1.0
152.07091	0.4
153.12752	1.3
154.08563	0.4
159.06001	0.4
163.03983	0.6
167.03233	0.6
167.66907	0.4
171.13795	1.8
181.05000	0.5
185.04213	0.4
189.05289	0.8
189.14827	0.4
219.06329	1.5
227.05327	1.3
232.12143	0.4
234.08635	12.4
235.07466	0.6
235.09430	8.2
235.11551	0.7
263.06976	0.8
267.19598	0.7
271.04327	1.4
291.06601	1.6
303.10040	0.6
303.13419	0.7
321.10986	2.4
336.11111	0.5
352.13501	3.3
353.13873	7.9
397.14673	3.4
439.15768	22.5
465.19019	2.5
483.14761	100.0
484.15143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
57.07078	64.9
66.86204	0.9
69.07069	7.2
69.43736	1.0
69.46956	1.5
69.47297	7.8
71.02901	1.0
71.08633	54.7
73.06548	3.4
83.08612	2.8
85.10184	37.6
87.04472	2.2
89.06033	100.0
95.90769	1.1
97.10191	2.8
98.21589	1.7
99.11735	6.8
107.07050	2.3
111.11724	3.6
113.13289	4.5
117.09126	2.1
124.80853	1.1
125.13213	1.7
127.14848	4.3
130.08659	1.0
133.08606	54.4
161.11734	1.8
177.11218	22.1
183.21138	2.4
195.12259	2.1
221.13857	4.6
239.14912	3.7
247.55795	1.1
265.06226	1.2
271.26297	4.4
283.17523	40.7
303.33292	1.1
315.28915	3.7
421.35306	1.9
465.37915	50.7
482.39941	1.3
484.50055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.05036	1.3
57.03445	0.7
57.07086	3.7
57.90316	0.3
58.06579	1.7
60.08170	17.7
67.05496	0.7
69.07082	0.6
69.15748	0.7
69.16152	2.5
70.06606	0.3
71.07383	5.8
71.08633	1.9
78.21286	0.3
79.05458	0.3
81.07060	1.4
83.08636	0.3
85.10190	1.3
86.09715	46.8
91.05495	0.4
95.08613	1.4
98.21491	0.6
98.52793	0.3
98.98467	2.8
104.10754	100.0
109.10178	0.8
125.00017	25.6
134.41223	0.3
163.01607	0.9
182.63316	0.4
184.07355	93.6
185.07687	0.3
201.83212	0.3
234.42255	0.3
258.11008	0.6
261.62695	0.3
299.25867	2.3
464.31396	9.2
482.32483	41.1
483.32852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01874	2.1
55.05516	10.2
57.03440	7.7
57.61164	0.9
59.04995	1.7
60.04533	1.1
61.02931	4.7
62.53907	0.9
67.05510	10.3
69.03433	11.7
69.07062	4.1
69.67613	2.1
69.68027	3.4
70.06598	8.6
71.04987	14.1
72.08163	4.7
73.02920	7.8
73.06560	2.8
73.21830	0.8
79.05499	13.4
81.03422	47.7
81.07054	25.5
83.04987	8.8
83.08625	17.0
84.04518	2.1
84.08144	6.5
85.02908	26.0
85.06551	1.5
86.06097	1.4
86.09708	5.8
87.04467	2.2
91.03957	2.1
91.05488	14.8
93.07044	16.5
95.04973	16.9
95.08641	5.9
97.02901	12.7
97.06543	2.7
97.10190	2.2
98.20757	1.1
99.04449	2.1
101.46452	0.8
103.03963	0.9
105.07037	10.8
107.04965	4.1
107.08595	10.0
109.02886	2.4
109.06519	3.2
109.10172	2.6
110.07169	2.9
111.04456	2.2
111.08092	9.4
113.06015	1.5
115.03915	4.3
119.04943	0.9
119.08592	11.1
120.08074	4.5
121.06516	1.4
121.10149	5.5
123.08105	1.5
123.11724	1.3
127.03923	6.4
129.07039	5.7
129.10246	3.7
131.08574	7.4
133.04996	4.1
133.10146	6.0
135.11697	15.1
136.07559	2.0
137.05962	1.7
138.06425	1.0
142.07787	1.7
145.04980	6.5
145.10152	1.2
147.08066	1.9
147.11693	11.0
149.09642	4.3
151.03822	1.0
151.11311	0.9
153.12747	92.0
157.10144	10.0
158.73550	0.8
163.06053	2.8
165.12746	2.3
171.13809	2.1
175.11191	12.4
193.12247	48.5
203.05215	1.9
204.90428	1.0
211.13293	41.5
223.05965	1.1
229.14374	1.5
231.04697	3.1
241.07187	1.4
259.08200	3.4
267.15903	20.3
285.16968	100.0
303.07022	1.0
303.18018	0.9
390.73920	1.0
411.90863	1.0
429.21204	1.0
446.12326	0.9
465.31390	1.0
481.82004	1.2
482.19788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01861	2.1
55.05518	5.8
56.05017	1.1
57.03443	6.0
59.04986	0.9
60.04514	0.7
61.02911	3.2
65.74860	0.7
67.05509	8.9
68.34846	0.8
69.03430	3.5
69.07072	3.6
70.02972	0.7
70.06599	7.5
70.77390	1.6
70.77723	0.8
71.04980	2.3
72.08170	4.3
73.02902	2.2
79.05494	7.0
81.03423	29.2
81.07067	10.1
83.04989	7.2
83.08626	11.4
84.04488	2.4
84.08151	7.1
84.87431	0.7
85.02912	14.9
85.06539	1.8
86.09712	7.4
87.04459	1.1
87.10031	0.7
91.05485	13.8
93.07024	6.9
95.04978	12.6
95.08632	4.7
97.02887	5.0
97.06516	2.4
97.10149	1.4
99.04462	0.8
103.05501	0.9
105.07045	7.4
107.04939	3.1
107.08596	4.3
109.02886	1.2
109.06509	2.2
109.10139	1.9
110.07146	2.5
111.02686	0.7
111.04442	2.4
111.08096	5.9
113.05985	1.5
119.08589	7.6
120.08117	7.6
121.06509	0.9
121.08421	1.1
121.10144	3.0
123.08071	1.4
123.11726	0.8
127.03898	2.1
129.07045	4.7
129.10240	3.7
130.06511	0.8
131.04765	0.8
131.08580	5.1
133.05029	0.9
133.06491	1.3
133.10127	6.3
135.11681	3.6
136.07590	1.3
137.09618	0.8
142.07742	1.0
145.04976	1.5
145.10194	0.8
147.08041	1.5
147.11700	7.1
149.09668	3.5
153.12776	5.3
157.10139	7.5
163.03954	0.9
163.05995	1.2
163.11194	1.1
165.12776	2.2
169.10992	0.8
171.13829	3.8
175.11171	7.9
193.12250	26.0
211.08937	0.7
211.13293	21.8
211.15320	1.4
267.15930	8.6
285.16974	100.0
286.17361	1.1
445.23373	0.8
447.22354	1.6
482.19553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01862	4.8
55.05508	7.4
57.03447	5.8
57.07080	13.3
59.04988	3.0
61.02911	5.2
62.71146	1.1
63.06591	1.1
67.05494	1.9
68.99787	2.8
69.03088	1.5
69.03435	19.4
69.07074	51.2
69.18497	1.8
69.18893	10.2
71.04992	6.6
71.08634	8.3
73.02905	4.5
73.06561	10.6
81.03419	18.1
83.08603	2.4
85.02914	51.5
85.10176	4.6
87.00838	24.1
89.06033	23.7
91.03948	1.4
93.07076	1.3
97.02308	1.9
97.02899	32.5
99.04462	8.7
105.01198	2.2
105.01871	33.8
109.02885	17.6
111.04408	1.2
111.11726	80.7
117.01881	1.4
127.03922	37.8
129.01834	2.4
129.12762	100.0
134.77713	1.2
145.04970	19.4
150.19276	1.1
157.04666	1.1
159.02866	8.2
199.16971	17.2
213.03970	3.4
217.16003	1.4
217.18008	19.6
231.04971	13.2
240.52060	1.2
249.06038	5.2
359.17078	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01868	4.4
55.05513	9.8
57.03432	3.0
57.07084	11.8
58.61424	1.1
59.05000	1.6
61.02920	3.2
63.78555	1.0
67.05506	1.5
68.99797	1.2
69.03434	17.5
69.07071	59.5
70.68507	1.6
70.68848	1.9
71.04993	6.9
71.08639	9.4
73.02924	5.2
73.06560	10.0
81.03425	16.7
81.07055	1.1
83.08617	1.6
83.76354	1.0
85.02910	48.5
85.10175	3.8
85.41957	1.0
87.00832	25.7
89.06035	30.9
90.92433	1.0
91.03957	2.0
97.02296	2.0
97.02898	30.4
99.04461	8.8
105.01199	1.9
105.01874	31.0
109.02888	17.5
109.10143	1.2
111.04449	1.8
111.11726	81.7
114.72945	0.9
115.03945	2.0
117.01868	1.9
127.03925	35.7
129.01820	1.9
129.12764	100.0
140.30171	0.9
145.04970	16.9
159.02913	9.2
199.16943	22.5
213.03944	1.6
217.17999	20.9
219.13800	1.2
231.05006	10.9
249.06096	4.9
359.17072	3.2
482.30066	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.4
55.01873	9.7
55.05505	13.4
56.05037	7.5
57.03429	22.0
61.02951	12.0
61.19542	5.3
67.05507	14.6
69.03430	41.4
69.07053	13.9
70.06606	49.4
71.05003	9.0
71.51765	7.9
72.08167	38.9
73.02914	45.8
74.06072	8.5
75.93563	6.3
79.05497	20.4
81.03423	15.4
81.07047	19.3
84.04495	15.8
84.08157	64.7
85.02913	100.0
86.09702	61.9
87.04472	7.3
91.05483	36.6
93.07050	85.3
95.04959	10.4
95.08613	31.7
97.02898	55.6
97.06517	13.7
99.04447	8.2
102.05593	6.4
103.03902	12.1
103.05504	7.6
104.10743	22.9
105.07018	13.2
107.08592	92.9
109.02881	10.7
109.10146	9.2
110.07195	9.0
115.03955	27.3
120.08105	47.2
123.04419	6.8
123.08073	6.2
125.00017	9.9
127.03909	38.3
129.10236	39.1
133.04961	47.6
135.11702	76.7
136.07550	9.3
145.04979	42.4
153.01845	11.9
153.12700	29.4
163.06065	27.3
181.04974	7.6
181.12238	6.3
183.14871	5.9
184.07358	22.2
204.13417	5.7
223.06024	6.9
233.82260	5.3
241.07028	9.6
259.08228	26.7
262.39819	6.0
267.15903	9.6
285.16913	9.3
295.10309	10.4
297.17096	7.7
303.04956	15.9
304.05621	6.4
319.04437	31.7
320.04819	75.9
326.51270	5.4
341.04636	5.9
464.19543	7.0
482.09293	7.7
482.20935	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	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61552	0.3
53.03931	0.9
55.01870	1.0
55.05502	1.2
57.03438	2.9
58.86206	0.3
59.04991	1.2
61.02914	1.5
65.03901	0.4
67.05511	0.7
67.56662	0.4
69.03093	0.4
69.03436	5.9
69.07062	1.2
70.06587	3.3
70.51083	1.0
71.01346	0.6
71.04601	0.6
71.04995	11.0
72.08143	1.5
73.02920	7.3
73.06567	2.7
77.42721	0.3
79.05502	2.9
81.03410	1.3
81.06596	0.7
81.07059	13.9
83.08611	0.5
84.04492	0.7
84.08144	2.4
85.02908	14.1
85.06544	0.5
86.09719	2.9
87.04451	0.8
87.22594	0.4
91.03919	0.4
91.05471	1.2
93.07047	9.4
95.04988	0.5
95.08607	2.5
97.02300	0.7
97.02898	11.3
97.06517	1.1
99.04465	0.8
102.07278	0.4
103.03947	0.5
105.07014	0.5
107.04931	0.4
107.08599	7.8
109.02858	1.1
109.10189	1.7
110.07169	0.7
111.08121	0.5
115.03928	3.3
120.08096	1.4
121.10092	0.4
127.03931	4.9
129.10229	1.2
133.04987	4.5
135.11693	16.4
145.04968	5.8
147.04387	0.8
153.12750	100.0
154.13089	1.1
163.06033	2.7
171.13814	1.0
177.18781	0.3
193.12219	0.4
199.06223	0.5
215.57112	0.3
217.07057	0.4
221.09995	0.4
223.06030	1.1
241.07121	1.6
259.08157	3.1
267.15628	0.4
270.13235	0.7
277.09082	0.4
285.17029	0.5
288.14520	0.6
295.10358	1.1
439.85040	0.4
482.26010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45675	0.6
53.03942	0.8
55.01884	1.1
55.05519	19.8
56.05027	0.8
57.35470	0.5
58.99596	0.9
60.04525	1.0
61.01157	6.2
67.05502	1.1
69.03446	0.7
69.07067	0.7
70.06598	6.3
70.15922	1.0
70.16305	1.2
71.05013	0.8
72.04527	6.4
72.08154	2.1
73.02906	1.4
74.09711	0.9
76.02225	3.0
78.03799	10.0
79.05504	1.3
81.07074	1.2
82.06586	1.6
83.04991	56.4
84.04507	1.7
84.08172	3.0
85.02895	1.4
85.06547	0.6
86.06067	1.9
86.09719	2.6
86.99072	0.5
87.02712	1.1
91.05489	1.3
95.08575	0.7
98.06075	1.5
99.05579	0.7
102.03779	19.4
102.05574	0.7
103.02174	1.5
104.08444	0.7
107.08616	0.6
109.02908	0.7
112.07571	1.0
113.04236	1.0
113.06001	1.5
114.03771	3.7
115.08695	1.0
118.03235	0.9
119.04980	0.6
119.08566	0.7
120.01230	0.6
120.04823	1.9
120.08134	1.5
124.07582	1.4
129.10257	1.5
130.05046	0.6
131.06396	9.4
132.04813	8.0
136.07584	1.8
142.06871	4.3
142.08652	3.4
143.05353	0.9
144.04883	0.6
147.04434	2.5
147.05888	2.3
149.07457	35.7
154.08644	7.1
158.06303	1.8
159.05888	1.8
175.02473	0.6
176.07539	0.7
181.04967	1.8
184.09784	2.5
186.05830	2.3
204.06943	2.7
207.06303	1.0
231.11594	2.4
243.11671	0.7
258.07919	1.4
259.00601	0.6
261.12659	4.5
263.08899	1.1
279.06589	0.6
289.10443	2.5
319.04535	0.7
320.04874	2.7
335.10995	6.6
352.13635	100.0
353.14014	1.0
359.19144	0.8
452.14536	0.6
464.18887	20.8
482.19470	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05504	0.8
56.05029	0.3
57.03195	0.3
57.03442	3.8
57.07071	0.5
59.04749	0.3
59.05003	3.4
61.02656	0.2
61.02932	3.7
67.05507	1.9
69.03433	6.1
69.07072	0.8
69.45915	0.6
69.46317	1.0
70.06593	1.8
71.01340	1.0
71.04996	2.9
72.08143	0.8
73.02921	26.6
73.06557	0.3
76.20798	0.2
79.05502	0.6
81.03421	1.3
81.07061	5.5
83.04963	0.3
83.08614	0.7
84.04510	0.4
84.08163	1.4
85.02911	17.9
85.06550	0.5
86.09710	1.5
87.04463	1.2
91.03945	0.7
91.05472	0.7
93.07050	1.3
94.06442	0.2
95.04990	1.1
95.08613	1.9
97.02896	17.7
97.06529	1.1
98.09699	0.9
98.21551	0.4
99.04464	3.8
101.41561	0.2
103.03933	0.6
105.07013	0.6
107.04900	0.2
107.08595	3.5
109.02882	1.5
109.06531	3.1
109.10160	9.1
110.07152	0.5
111.08087	18.5
113.06014	0.9
115.03934	6.7
119.56376	0.2
120.08093	1.0
121.10156	0.4
123.08097	3.1
123.11714	22.3
125.09628	1.1
127.03923	4.8
129.10202	0.5
133.04019	0.4
133.04973	5.4
133.10103	1.1
136.07584	0.5
141.12726	3.4
145.04961	5.8
147.04413	0.2
150.07581	0.5
151.11186	8.2
156.01877	0.2
157.74995	0.2
163.03957	0.4
163.06024	2.4
165.05493	0.2
169.12244	100.0
170.12575	0.3
177.05466	0.4
181.05023	0.3
193.05020	0.3
210.14931	0.3
217.07115	0.6
220.02016	0.3
223.06032	1.0
241.06949	1.2
246.15013	0.3
259.08157	2.7
265.14395	2.3
277.09283	0.6
283.15320	0.6
295.10315	2.1
300.09854	0.2
301.16476	6.1
331.17526	16.4
463.21841	0.4
480.24451	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03936	1.3
55.05516	10.1
57.03423	3.8
57.07068	3.6
62.06089	26.1
65.31336	1.0
66.27538	1.1
67.05504	9.2
69.07069	15.6
71.08622	1.5
71.52689	1.9
79.05476	3.2
81.07052	9.9
83.08616	11.0
91.05471	1.4
93.07035	5.2
95.08598	9.6
97.06511	1.9
97.10171	4.1
98.98486	6.1
102.54465	1.1
104.10760	1.1
107.08566	3.4
109.10133	4.3
111.11643	1.5
121.10099	5.9
124.01585	2.0
135.11655	3.3
137.13181	1.1
145.02873	1.2
146.87517	1.2
149.13271	1.5
153.42082	1.2
154.09836	1.1
155.01004	5.9
173.02046	1.3
184.07352	2.2
202.75917	1.2
216.06313	3.5
265.25259	5.7
308.29529	9.9
320.62906	1.2
339.28918	100.0
419.25601	6.2
442.97845	1.1
462.29697	3.8
480.30957	4.0
499.68945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01867	3.8
55.05506	6.8
57.03421	4.6
61.02925	2.4
62.60810	1.3
67.05505	13.4
68.99777	1.8
69.03436	18.6
69.07075	3.5
70.06586	2.0
71.04986	3.6
71.26403	2.1
72.08131	1.6
73.02901	2.5
73.06531	2.8
79.05478	7.1
81.03417	9.8
81.07056	57.6
83.04984	2.6
83.08627	5.5
84.08129	1.9
85.02903	45.4
85.06570	2.6
86.09705	2.2
87.00842	19.8
88.48299	1.1
91.05481	7.5
93.07044	8.2
94.69717	1.1
95.04958	2.1
95.08615	16.4
97.02885	13.3
97.06561	2.4
98.31246	1.1
99.04424	5.8
105.01868	22.3
105.07029	18.3
105.86205	1.2
107.08578	7.8
109.02890	14.0
109.06555	2.9
109.10140	1.7
117.01865	1.5
119.03407	2.3
119.08597	13.0
121.10148	20.5
123.08058	2.6
123.11710	100.0
124.12053	1.4
127.03923	30.4
137.09549	1.3
137.13249	12.0
141.09096	1.4
145.04951	9.4
147.11691	56.8
159.02879	4.3
165.12753	89.6
183.04410	1.3
183.13829	23.9
197.15361	30.1
215.16425	30.6
231.05025	4.8
235.95563	1.1
249.06122	2.7
267.25751	1.0
315.91495	1.4
398.54117	1.1
463.57971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	80.7
69.07092	13.6
71.04985	15.7
71.08635	76.4
71.52451	10.7
81.07051	11.5
85.10184	54.1
89.06050	50.3
93.07040	9.9
95.08593	13.1
99.08115	9.5
99.11715	9.9
121.10075	9.2
125.06004	59.5
135.08017	10.3
151.07550	32.2
153.05478	100.0
163.07585	12.9
165.09126	39.0
166.75537	8.0
177.09160	19.8
179.10641	21.1
209.11696	11.0
219.13841	8.9
242.77608	8.5
251.16393	9.7
259.88205	10.1
330.46762	9.2
419.35260	81.0
463.47641	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	22.3
57.07082	97.5
64.87211	4.3
67.05502	12.7
69.07070	40.9
71.07564	12.7
71.08633	87.7
79.05480	19.9
81.07066	45.3
83.04985	9.0
83.08627	29.5
85.10193	52.7
87.04441	4.3
91.05463	4.6
93.07053	35.5
95.08616	31.2
97.06485	6.3
97.10173	14.8
99.11726	7.4
101.06026	27.7
107.08611	34.3
109.06520	7.2
109.10151	15.0
111.11721	6.3
113.13280	5.8
115.07542	10.2
121.10154	18.6
123.11697	7.3
125.06026	7.3
127.07565	89.8
129.04529	5.0
129.05478	100.0
133.10159	5.2
135.11678	12.8
137.13246	9.9
139.07539	8.7
143.06995	4.5
149.13277	17.6
150.92996	4.6
150.94386	4.4
153.09062	6.5
155.17952	6.0
163.14787	16.0
167.14262	6.8
171.10052	5.2
171.55031	4.8
177.16359	10.2
181.15889	6.0
185.11725	5.0
191.17839	5.3
195.17491	5.9
205.19583	6.4
209.18930	5.3
223.20503	5.2
251.23582	5.2
289.28763	11.7
307.29816	14.8
317.28369	5.4
479.37360	5.4
481.43118	5.6
485.39597	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
54.59265	0.7
55.01871	1.1
55.05513	1.5
65.03944	1.0
66.04720	0.8
67.05492	3.1
69.03452	1.1
69.07069	0.9
70.06586	3.2
70.63763	1.7
70.64103	1.0
71.04964	1.1
72.08167	1.6
79.05505	4.4
81.03433	0.8
81.07047	3.4
83.04973	1.4
84.04500	1.3
84.08136	1.8
85.02903	2.1
86.09695	3.4
91.05487	13.8
93.07054	4.1
94.04174	2.4
95.04974	3.3
95.08588	1.4
103.05473	3.1
105.07050	4.6
107.04990	4.9
107.08599	2.9
108.05763	1.6
109.02865	1.3
109.06517	2.6
109.10158	2.6
111.04436	1.4
115.05474	4.4
116.06266	1.1
117.07018	3.9
118.04163	0.9
119.04952	7.1
119.08561	1.2
120.35497	0.8
121.06516	5.9
121.10126	1.1
122.03655	9.0
123.08082	5.6
127.03948	1.1
128.06274	1.3
129.07028	8.1
129.10268	1.5
131.04951	3.9
131.08606	2.6
133.06502	1.6
133.10121	1.0
135.04420	0.8
135.08043	3.4
136.05205	2.8
137.05992	100.0
143.04930	2.4
144.05804	0.9
145.05063	0.7
145.06503	3.0
146.03552	1.2
146.07248	1.7
147.04369	1.4
148.05165	1.7
149.06001	3.9
149.09639	2.1
151.03981	3.6
151.07562	51.6
153.07019	1.2
157.06511	2.9
159.08098	0.9
160.05237	1.6
161.06000	30.4
161.09608	7.0
163.07581	5.9
165.07037	2.6
165.09120	2.2
169.06538	1.4
174.06801	2.9
175.07588	5.5
176.06400	0.8
177.06993	1.0
177.07726	0.8
177.09114	6.7
178.07762	1.0
179.08617	0.8
181.05017	1.0
181.06479	3.4
182.15488	0.9
187.07513	1.0
189.07397	1.6
189.09120	16.9
191.10735	1.2
193.06516	1.6
194.07266	2.0
195.08130	3.3
195.10181	34.7
195.17493	1.5
205.06517	4.6
205.08302	1.1
206.07385	1.0
207.08151	2.3
207.10184	13.0
209.06032	1.1
210.06767	2.2
210.14841	1.5
211.07607	2.5
213.09108	1.4
213.18507	3.2
218.07211	0.9
219.08057	2.1
221.06000	3.0
222.06828	2.9
223.07495	2.2
224.08311	1.0
225.09171	2.4
227.07123	1.0
227.10768	0.9
233.05998	3.4
234.06760	2.1
235.07503	1.7
236.08333	0.9
237.09187	6.6
238.06174	2.3
239.07001	1.7
239.10667	1.8
240.07791	1.3
241.08554	1.0
245.09639	1.6
247.07518	1.5
249.09091	1.6
250.06204	1.9
251.06987	2.1
251.10664	1.0
252.07635	1.2
253.08545	5.7
255.06740	1.2
255.10097	1.0
261.09137	1.0
262.06149	0.9
263.07028	1.2
265.08624	16.1
266.09497	1.4
267.10242	2.1
268.07269	1.3
269.08096	2.7
269.11841	1.0
270.08981	1.1
273.11380	3.9
277.08780	1.6
279.10248	2.3
281.07806	1.0
283.09692	7.4
284.10495	2.1
285.11270	10.2
287.12772	0.9
293.11603	0.9
296.10526	1.3
297.11285	19.1
298.12079	1.4
299.12903	1.7
305.11676	2.3
309.11053	1.7
311.12842	10.4
317.13895	6.9
323.12787	3.6
326.09335	0.9
329.13947	0.8
337.14612	3.8
341.13980	2.9
342.15012	0.9
345.11151	1.1
345.35428	0.8
355.15344	2.5
369.15030	1.6
375.16110	1.1
382.23315	1.2
386.11111	0.9
401.13385	0.9
401.17944	1.2
403.15482	1.3
419.18579	1.1
429.17157	1.8
433.16519	1.7
435.19186	1.3
447.17859	1.5
461.19400	1.6
479.20508	15.2
479.30545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.79143	0.2
57.03429	0.5
60.48183	0.2
61.02929	6.7
63.70366	0.2
66.83765	0.2
69.03423	1.3
70.06589	0.4
70.36786	0.7
72.08139	0.4
73.02920	1.5
73.68522	0.3
81.03404	0.6
84.08154	0.4
84.15305	0.2
84.32034	0.2
85.02910	6.3
86.09690	0.6
89.11936	0.2
91.03960	3.7
91.05476	0.4
92.02620	0.7
93.03407	1.1
95.08581	0.2
97.02897	3.3
99.04459	0.4
105.07007	0.3
105.81758	0.2
109.02918	0.3
119.05012	0.3
121.02841	1.0
126.03119	0.3
127.03922	0.9
137.05991	0.9
139.03876	0.9
140.56073	0.2
145.05000	0.8
151.03909	0.7
153.01830	7.4
153.68413	0.3
161.06006	0.3
163.03893	0.3
165.01851	0.5
166.02480	0.2
173.05988	0.3
189.09045	0.3
200.04910	0.2
201.05551	0.8
203.03432	0.5
217.05005	0.8
218.05733	0.5
228.04118	1.1
229.04970	3.6
231.02849	0.5
245.04535	1.3
246.05247	1.8
257.04514	2.4
260.03079	0.4
261.07571	0.3
271.06006	0.3
273.03940	2.0
274.04724	4.1
275.05496	0.2
284.03250	0.4
285.03961	4.1
286.04416	0.3
287.05542	0.7
288.06149	0.4
302.04199	12.2
315.05090	0.2
317.06561	100.0
318.06885	1.1
479.18454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	Syringetin 3-xyloside
Peak:m/z	Relative Intensity
51.61851	0.6
55.05519	0.8
67.05512	1.0
68.99781	0.7
69.07060	0.7
70.06587	2.1
71.04991	0.5
71.21803	1.2
72.08155	1.2
79.05473	1.1
81.03417	0.8
81.07056	1.0
84.04474	0.9
84.08138	1.6
85.02906	2.0
86.09711	3.6
90.02778	0.5
91.05476	0.7
93.07021	0.6
93.55970	0.5
95.04967	0.6
97.02890	0.6
99.04442	1.0
100.11252	0.5
105.06985	0.7
107.04942	0.7
107.08591	1.3
109.02856	1.0
109.10120	1.1
110.07121	0.6
111.04396	0.6
120.08082	1.9
121.10193	0.8
123.04408	0.9
127.03900	1.4
129.10254	0.7
133.10159	3.7
133.88660	0.5
137.02345	4.4
137.05965	1.9
137.09622	1.7
145.04935	0.8
145.10233	0.7
147.04408	1.1
149.13255	0.7
151.07487	1.3
161.05966	0.7
163.11147	0.6
173.13000	0.6
181.04944	0.9
183.03020	0.7
191.14287	1.7
195.17525	0.9
213.18501	1.4
215.03403	1.2
219.02855	0.7
243.02899	1.2
243.11319	0.5
257.04639	0.6
264.08817	0.7
287.05478	0.6
289.03397	9.5
302.04504	0.8
303.05096	1.2
313.57657	0.5
315.04990	0.6
317.02969	19.0
317.06458	1.8
317.10416	0.6
331.04507	1.3
332.05267	50.5
347.07620	100.0
348.08047	1.3
435.19580	0.8
479.11960	11.1
479.18896	1.6
479.30679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.05030	1.2
57.06741	0.2
57.07064	0.6
58.06599	1.0
60.08167	16.7
67.05503	0.7
69.07067	0.3
71.07379	6.8
79.05480	0.3
81.07063	1.0
86.09711	53.5
95.08618	0.6
98.98475	5.2
104.10748	100.0
109.10223	0.4
125.00008	32.7
154.87894	0.3
163.01535	0.3
184.07347	71.9
419.25842	0.3
460.35492	2.5
478.36679	38.0
479.37006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03935	0.7
53.30283	0.2
53.78615	0.2
55.01855	0.5
55.05513	10.5
57.03441	5.6
57.07080	1.3
62.06078	0.5
65.03929	0.7
67.05507	22.5
69.03394	0.2
69.07072	12.8
69.37772	0.2
70.69128	0.3
70.69466	0.4
71.04986	0.5
71.08619	0.7
79.05492	5.9
81.07059	22.4
83.04984	0.4
83.08619	6.5
85.06532	0.4
91.04973	0.4
91.05486	4.1
93.07045	6.0
95.04975	0.4
95.08607	16.6
97.06534	1.3
97.09641	0.2
97.10181	3.0
98.98461	0.3
99.08089	0.7
101.05967	0.2
105.07035	2.7
106.32854	0.2
107.08601	3.6
109.06553	0.2
109.10163	6.6
111.08075	0.9
111.11701	0.7
119.08590	2.2
121.10143	2.2
123.08058	0.6
123.11697	2.3
124.01576	0.6
133.10121	2.2
135.11720	1.4
137.09578	0.3
137.13245	0.8
147.11688	1.8
149.13245	0.6
151.11087	0.2
151.14804	0.3
153.12685	0.3
161.13358	1.0
163.14812	0.7
165.07939	0.2
175.14796	0.6
177.16397	0.2
198.05199	0.2
207.17467	0.3
216.06291	0.6
245.22649	0.4
255.89516	0.2
263.23816	0.9
284.83868	0.2
306.27899	1.9
309.66379	0.2
337.27368	100.0
338.27844	1.5
338.31653	0.2
418.38464	0.2
478.29266	0.3
491.01306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.63440	0.5
53.03931	0.8
55.01878	0.8
55.05274	0.7
55.05516	9.5
57.03444	4.4
57.07071	1.4
58.89841	0.5
62.06092	32.7
67.05509	24.6
69.06731	0.9
69.07073	11.9
71.04993	0.8
71.08618	0.5
72.53845	0.5
78.23259	0.5
79.05498	8.1
81.07060	25.6
83.04996	0.5
83.08152	0.7
83.08622	6.9
85.27544	0.5
91.05486	4.2
93.07051	7.2
95.04988	0.7
95.08610	18.4
95.79160	0.5
97.06527	1.0
97.10177	2.7
98.06062	1.0
98.20804	1.5
98.98476	7.8
105.07023	2.3
107.08596	4.2
109.10156	8.1
111.08094	0.7
119.08559	2.4
121.10162	3.5
123.11712	3.3
124.01622	2.0
133.10138	2.5
135.11699	2.4
137.13315	1.0
142.02640	1.1
147.11700	1.5
149.13303	1.3
151.14835	0.6
155.01050	5.0
161.13225	0.8
161.67894	0.5
163.14853	1.0
173.02115	2.0
175.14810	1.0
198.05283	1.8
216.06369	3.8
245.22649	2.3
263.23737	6.3
306.27951	10.0
319.26498	0.7
337.27377	100.0
338.27823	1.4
360.50958	0.6
388.51843	0.5
417.23917	1.9
460.28375	6.2
478.29721	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	478.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01874	1.4
55.05507	4.2
57.03441	1.9
61.02914	1.5
67.05505	11.7
69.03426	0.9
69.07066	4.3
69.36962	5.4
69.37366	1.6
70.06597	1.2
71.04984	1.2
73.02927	1.0
79.05499	19.5
81.03421	2.4
81.07066	10.6
83.04973	4.6
83.08621	3.1
84.08140	1.2
85.02922	2.8
85.06543	1.0
87.04456	1.2
91.05483	15.2
93.07048	25.5
95.04972	5.3
95.08623	6.4
97.02917	1.6
97.06554	2.1
97.10198	1.4
105.07034	9.1
107.04958	1.5
107.08602	8.4
109.06536	2.3
109.10159	2.2
117.07029	2.7
118.48964	0.9
119.08600	8.1
121.06552	1.4
121.10133	1.8
123.08111	2.5
123.41428	1.0
128.06110	1.0
129.07030	4.9
133.10144	3.1
135.11703	1.3
143.08601	3.2
145.10152	4.1
147.08072	1.1
147.11703	13.4
161.09602	1.9
161.13245	4.6
163.11179	1.1
169.07510	1.4
171.11681	11.6
177.16405	2.2
189.12781	4.3
197.87300	1.0
207.13824	10.5
255.09119	2.3
281.17499	100.0
299.18594	2.3
365.16516	3.1
487.09033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18991	1.3
53.03947	2.6
54.07169	1.3
55.05500	7.7
57.03435	4.0
60.08163	2.8
60.20757	1.3
61.02905	1.5
64.69469	1.3
67.05506	16.6
69.03416	2.6
69.07051	4.5
69.65421	1.4
70.06589	4.0
71.05003	1.4
71.53165	1.8
76.46458	1.3
79.05495	20.5
81.03422	3.3
81.07053	13.2
83.04990	6.3
83.08587	1.9
84.08156	2.8
85.02924	4.3
85.06532	2.8
86.09708	10.5
91.05478	14.1
93.07043	21.4
95.04974	4.7
95.08619	9.7
97.02930	2.1
97.06535	3.2
104.10737	9.4
105.07050	11.2
107.04970	2.3
107.08592	8.1
109.06520	2.2
109.10200	2.1
115.05522	1.7
117.07003	2.0
119.08601	7.6
121.10133	3.1
123.08070	3.3
125.00009	2.6
127.03893	2.3
127.06174	1.7
128.54561	1.7
129.07005	4.7
133.06557	1.4
133.10144	6.4
135.11719	3.7
136.06216	1.9
137.05977	6.6
143.08614	1.7
145.10182	3.6
147.11700	11.5
151.07600	2.7
159.08012	1.8
161.09564	2.4
161.13245	5.4
171.11679	6.9
184.07326	9.9
185.08167	2.4
189.12793	3.6
193.04779	1.7
195.17484	1.8
207.13815	5.9
273.40213	1.5
281.17490	100.0
299.12698	1.4
437.20932	1.6
478.25513	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	477.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	41.4
57.07077	42.9
67.05502	23.2
69.07074	64.0
71.04975	16.5
71.07289	18.0
71.08621	28.5
79.05493	22.7
81.07059	77.5
83.08625	24.3
85.06583	7.0
85.10194	18.7
91.05473	29.4
93.07050	47.9
95.08613	100.0
97.06557	10.4
97.10144	29.3
98.20875	8.5
105.07027	48.6
107.08587	70.3
109.10154	43.7
111.11723	18.2
117.07049	12.1
119.08582	52.8
121.10148	46.7
123.11688	24.0
127.30803	7.7
131.08557	29.8
133.10115	45.9
135.11739	20.3
137.13278	8.6
140.06848	8.7
143.07022	24.7
145.10138	58.6
147.11671	38.6
149.13254	17.6
157.10121	15.9
159.11728	32.7
161.13235	19.2
161.76501	7.8
163.14825	14.8
171.11769	15.7
173.13260	15.4
175.14859	17.0
177.09126	8.6
183.11603	8.7
185.13277	10.7
189.16426	10.9
191.10620	10.7
203.17833	9.6
205.12296	14.4
213.16391	9.6
233.15334	10.4
247.16966	10.5
305.21188	7.6
323.01999	8.3
341.31821	13.6
343.33646	24.2
347.86432	7.6
385.34946	11.6
399.36035	13.6
427.35736	72.8
442.82849	8.6
445.36838	63.3
459.38251	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	478.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93872	0.3
55.05513	2.5
56.05010	0.4
61.02932	2.1
66.76170	0.3
67.05469	0.4
69.03410	0.8
69.07047	0.3
70.06605	2.8
70.09979	0.9
71.04999	0.3
72.08132	1.4
73.02902	0.7
79.05498	0.3
81.03427	0.5
81.07045	0.5
83.08591	0.4
84.04470	1.0
84.07713	0.3
84.08152	2.3
85.02905	3.0
86.06053	0.5
86.09702	2.2
87.05559	0.3
91.03973	1.7
95.08591	0.7
97.02908	1.9
99.04438	0.8
103.03918	0.8
109.02862	1.0
109.07589	0.4
110.07150	0.5
115.03937	0.4
120.08086	1.2
122.09632	0.4
127.03938	2.7
129.10211	0.9
136.07477	0.5
140.10629	0.9
145.04951	0.9
163.05974	0.6
174.10393	1.9
181.04903	0.4
183.10902	0.8
184.02939	0.3
185.11180	0.4
187.09834	0.5
192.12128	0.4
197.12569	0.4
201.12750	0.7
205.12134	0.3
205.38463	0.4
205.62856	1.7
206.12973	0.3
212.85080	0.3
213.07579	0.5
214.63307	4.3
215.13506	0.5
219.13322	3.1
219.63425	0.5
223.63849	2.9
228.13846	12.1
228.63927	1.7
237.14374	26.5
237.64420	2.1
237.99289	0.3
238.14601	0.3
246.14912	100.0
246.65070	10.0
247.15244	0.4
248.65195	0.6
257.65723	1.0
264.13934	0.7
265.12289	0.6
266.66260	1.4
275.25125	0.3
303.05115	0.7
307.10294	0.5
345.15781	0.6
347.77866	0.3
355.17944	1.2
373.19092	0.9
406.29230	0.4
407.23203	0.6
424.30423	0.7
477.33228	12.0
478.33423	18.6
491.29321	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	477.285
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
50.96418	3.1
54.19602	3.8
55.01865	16.0
55.05515	40.5
57.03436	13.0
67.05510	73.5
69.03430	10.4
69.07060	19.2
71.04992	3.9
79.05074	4.9
79.05501	63.9
81.03414	58.4
81.07056	53.9
83.04992	15.7
83.08621	37.4
85.02907	6.2
85.06545	4.8
91.05483	55.8
93.07047	54.8
95.04980	39.3
95.08618	30.2
97.02911	3.7
97.06537	7.9
97.10177	26.6
103.05462	5.7
105.07041	36.0
107.04945	28.1
107.08594	29.2
109.06521	14.9
109.10174	16.8
111.08099	11.8
115.05456	7.7
116.64070	4.4
117.06333	3.4
117.07029	20.0
119.05035	4.2
119.08592	31.3
121.06526	37.1
121.10162	14.3
123.08082	10.7
125.09657	17.8
129.06998	19.8
131.04910	5.5
131.08559	20.2
133.06511	12.5
133.10173	21.0
135.08072	10.6
135.11723	6.6
137.06004	12.2
141.07011	5.3
142.07735	4.0
143.08601	8.8
145.06528	21.4
145.10149	12.7
147.08061	10.4
147.11723	15.5
149.09645	10.1
153.09128	5.3
155.08548	7.3
157.06462	7.8
157.10146	13.3
159.08073	8.6
159.11687	5.4
161.09601	7.6
163.11159	7.2
169.10162	6.1
171.11726	10.4
173.09615	4.5
175.11189	8.7
183.11623	6.6
185.13306	7.5
187.11212	6.0
189.11285	10.4
193.12262	26.5
197.09718	4.2
205.12343	4.3
207.13599	4.2
215.14467	4.5
227.12674	19.0
227.14708	3.7
233.15277	8.6
243.13773	3.7
267.15961	48.8
273.14832	4.9
281.17407	5.0
309.09622	3.6
323.19772	4.9
325.18103	10.3
339.23331	7.1
341.21075	15.4
349.21643	5.5
357.24451	8.3
359.22681	4.1
363.07065	4.4
367.22610	20.8
385.23773	37.8
403.24826	20.0
415.24625	7.5
431.28210	4.0
433.25909	32.4
441.26358	8.2
459.27380	100.0
477.28665	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61487	3.6
55.01867	13.3
55.05514	56.6
56.53445	3.5
57.03433	13.6
60.74606	3.8
65.03932	4.9
67.05508	67.0
69.03422	13.9
69.07074	21.9
70.06601	4.2
70.92123	7.6
71.04985	6.8
79.05495	69.1
81.03423	82.1
81.07056	62.1
83.04974	18.8
83.08631	31.0
85.02895	9.9
85.06573	4.5
91.05481	69.3
93.07030	47.8
95.04972	34.1
95.08617	27.8
95.39168	3.5
97.02871	5.9
97.06524	15.6
97.10176	41.2
103.05470	6.3
105.07037	48.0
107.04964	37.3
107.08617	28.9
109.02893	5.0
109.06546	15.6
109.10164	19.6
111.04429	5.3
111.08066	11.6
117.07019	14.9
119.08601	34.7
121.06524	26.4
121.10154	20.0
123.04358	5.5
123.08079	12.0
123.11704	5.4
125.09634	32.1
128.06268	4.3
129.07002	27.8
131.04918	8.7
131.08560	25.9
133.06500	16.4
133.10126	26.9
135.08051	11.2
135.11676	9.8
137.05846	4.3
137.09605	4.4
141.07031	6.1
142.07700	3.6
143.08569	7.0
145.06499	23.6
145.10141	14.2
147.04431	6.4
147.08064	16.9
147.11690	17.2
149.09625	13.4
151.07484	3.7
153.09067	5.4
155.08516	8.5
157.10152	13.8
159.08061	9.3
159.11711	8.3
161.05997	4.6
161.09605	7.1
163.11197	8.8
169.10097	7.5
171.08128	7.6
171.11668	7.4
173.09663	4.8
173.13286	4.0
175.11179	15.4
177.12817	3.9
185.09665	7.1
185.13200	3.8
187.11087	5.3
189.11264	18.8
189.12790	7.1
193.12250	39.8
197.09637	4.2
199.11221	4.5
205.12227	6.1
211.13199	17.7
213.12624	4.7
215.14346	5.3
216.00221	3.8
227.12770	12.0
233.15337	15.4
245.15523	4.6
249.14783	5.9
267.15952	41.7
273.14902	11.4
289.17975	4.7
339.23169	9.0
341.21338	4.8
349.21652	15.4
357.19559	3.6
357.24072	9.4
367.22641	39.6
385.23752	71.4
403.24759	29.7
433.25797	10.9
441.26410	9.2
459.27393	100.0
477.28555	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01839	0.9
55.05518	7.0
57.03452	4.0
57.07069	1.0
62.06095	34.8
62.06421	1.7
65.03930	1.8
67.05512	24.6
68.05847	0.7
68.15118	0.7
69.03404	0.7
69.07080	5.7
70.02711	1.4
70.03120	2.8
73.99207	0.7
75.04516	0.7
79.05499	18.2
81.07064	23.0
81.92964	0.7
83.08619	2.4
91.05483	8.7
92.71641	0.8
93.07052	19.0
93.07633	1.3
95.04971	1.9
95.08617	18.2
97.06549	1.4
97.10182	1.0
98.06078	1.2
98.98474	10.0
105.07014	4.9
107.08601	8.8
109.10171	8.1
117.07054	1.3
119.08582	6.1
121.10155	7.6
123.11694	3.1
124.01582	1.9
131.08563	3.2
133.10152	4.2
135.11729	4.4
142.02618	1.6
145.10146	2.5
147.11691	3.5
149.13271	2.5
155.01071	3.0
159.11687	2.0
161.13242	2.1
163.14835	1.7
173.02156	2.1
173.13181	1.5
175.14838	1.2
183.66441	0.8
191.14230	0.8
191.63043	0.8
195.26419	0.7
198.05266	2.2
202.27058	0.7
216.06427	4.9
243.21057	1.4
261.22174	7.9
293.49582	0.8
304.26376	9.5
317.24783	1.0
335.25827	100.0
336.26157	1.1
400.39700	0.8
415.22485	2.2
458.26886	6.3
476.27551	4.1
488.13065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
53.03941	5.5
53.39560	1.8
55.01866	8.8
55.05517	24.0
57.03447	14.8
57.07067	3.6
60.04515	2.1
61.02940	2.4
65.03920	4.4
67.05510	43.6
69.03440	11.3
69.07070	19.2
71.01351	2.3
71.04981	5.6
71.53588	2.6
73.02923	5.2
74.62176	1.8
79.05495	36.5
81.03433	24.2
81.06602	2.6
81.07066	39.7
83.04962	11.0
83.08624	14.0
85.02904	6.6
85.06553	4.2
91.04923	2.4
91.05489	48.0
93.07053	31.2
95.04980	16.7
95.08610	30.7
97.02898	7.8
97.06528	5.9
97.10179	7.6
99.08121	1.8
103.05473	2.6
105.07040	34.1
107.04965	11.5
107.08598	20.1
109.02861	3.7
109.06525	8.3
109.10168	11.8
111.04431	2.5
111.08104	5.3
115.04042	2.6
115.05475	5.4
117.07018	25.1
119.04967	1.9
119.08588	23.2
121.06529	9.2
121.10159	11.7
123.04430	3.8
123.08075	6.4
123.11686	2.7
125.09636	6.1
128.06195	9.3
129.05493	3.0
129.07007	25.4
130.07800	3.5
131.04976	2.4
131.08571	35.1
133.06473	7.2
133.10136	16.8
135.08083	5.8
135.11673	5.7
141.06976	14.3
142.07787	5.5
143.08574	30.7
144.09373	3.8
145.06488	10.2
145.10135	28.5
147.08067	6.4
147.11679	10.6
149.09642	4.6
149.13260	5.2
153.06992	6.4
153.09106	2.7
154.07834	5.4
155.08566	25.3
156.09355	4.1
157.06522	7.2
157.10130	24.8
159.08032	10.9
159.11682	15.8
161.09619	6.5
161.13290	3.8
163.11179	7.4
165.07021	4.4
166.07777	3.9
167.08524	10.5
168.09386	4.3
169.06514	2.6
169.10138	21.7
171.08083	11.3
171.11678	17.8
173.06035	2.6
173.09645	10.6
173.13269	7.7
175.11140	2.7
179.08582	5.4
181.06514	3.2
181.10127	11.3
182.10902	3.1
183.08098	7.3
183.11725	15.6
185.09628	10.4
185.13235	13.5
187.07613	3.2
187.11188	8.7
187.14877	4.7
189.12808	3.7
191.10822	2.7
193.10184	5.8
193.12178	3.5
195.08081	5.6
195.11751	12.8
195.13391	2.2
197.09633	6.6
197.13242	10.8
199.11241	8.7
199.14905	4.2
201.12869	4.1
205.10239	3.2
207.11722	5.1
209.09625	5.1
209.13289	8.8
211.11176	8.9
211.14835	3.5
213.12749	6.3
215.14354	2.6
221.13222	3.9
223.11203	3.7
223.14824	4.3
225.12769	7.3
225.16443	2.4
227.10703	2.5
233.15503	2.2
235.14879	3.7
237.12708	5.6
239.14316	3.4
241.12271	2.1
243.13742	2.3
257.19083	2.5
267.16006	5.8
269.19122	2.8
271.20389	2.5
285.22183	2.8
295.20633	2.6
297.22162	5.3
305.50223	3.0
307.20523	2.4
307.62177	2.3
313.21689	8.5
316.28397	3.7
321.22183	5.5
325.21689	10.6
331.20285	2.4
336.26099	3.2
337.21628	3.2
339.23181	9.3
341.20987	2.6
343.22794	3.9
349.21558	17.6
355.22733	2.2
357.24152	5.6
367.22705	34.7
373.23828	3.8
375.25525	2.9
385.23749	27.8
387.25720	9.1
399.25314	7.1
403.24908	7.6
413.26801	2.9
417.26343	17.4
423.25406	9.0
429.26486	12.4
433.26035	4.7
441.26407	57.3
441.32648	2.7
459.27423	68.0
477.28525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86859	0.4
62.01985	0.4
69.50453	2.6
69.50861	0.8
70.01177	0.5
70.06627	0.5
71.01354	0.8
71.04996	0.7
79.05483	0.8
81.38321	0.5
84.04493	0.8
85.02906	2.2
86.09717	1.2
87.04446	0.6
91.05486	0.6
93.07051	1.0
97.02897	0.5
98.21492	0.9
99.04462	5.5
103.05462	5.3
104.07133	1.3
107.04965	1.9
109.02843	0.5
117.05508	2.9
120.08109	100.0
121.08456	0.7
127.03977	0.5
131.04926	2.8
145.04990	0.9
149.05981	2.0
149.11807	0.5
161.63171	0.5
163.03922	1.0
166.08646	58.5
205.45319	0.4
234.10695	0.6
257.96848	0.5
325.67365	0.5
371.83182	0.6
489.91864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.2
53.03941	1.0
55.01846	0.3
55.05513	6.7
57.03163	0.3
57.03440	6.4
57.07066	0.6
62.06088	0.4
64.82021	0.2
65.03941	1.2
67.05508	25.9
68.05836	0.2
69.03426	0.3
69.07070	5.6
71.04989	0.8
79.05494	13.9
81.07059	20.4
83.04979	0.7
83.08624	2.3
85.06523	0.5
89.48593	0.2
91.01508	0.2
91.05482	6.1
93.07047	15.3
94.07946	0.2
95.04970	1.0
95.08610	18.4
97.06526	0.9
97.10173	1.0
98.06044	0.3
98.21505	0.7
98.98463	0.8
105.04534	0.4
105.07037	3.8
107.08597	6.4
109.06523	0.6
109.10164	6.1
111.08084	0.4
111.11685	0.3
117.07014	1.2
119.08581	2.9
121.10151	5.2
123.08067	0.3
123.11697	1.7
124.01608	0.4
131.08588	2.0
133.10144	2.0
135.11697	2.3
137.09666	0.5
137.13243	0.3
145.10118	1.3
147.11691	0.9
149.13249	0.8
159.11674	1.0
161.13293	0.8
163.14859	0.3
173.13277	0.8
175.14832	0.3
177.16415	0.3
198.05261	0.3
216.06381	0.7
261.22147	0.9
296.99289	0.2
303.07516	0.2
304.26389	1.8
307.85788	0.3
335.25803	100.0
336.26004	1.1
348.85040	0.2
460.72849	0.2
476.30634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.3
51.04882	1.0
53.03949	7.3
55.01862	4.0
55.05511	20.6
57.03442	5.1
57.07071	2.9
65.03935	3.5
67.05507	69.4
68.66404	0.9
69.03419	1.5
69.07071	22.3
69.26682	7.6
71.04997	5.8
73.02888	1.6
73.06536	1.8
77.03909	1.2
79.05499	69.5
81.03426	8.3
81.07059	73.7
83.04980	12.5
83.08628	12.6
83.35332	0.8
85.02879	1.3
85.06536	3.8
90.47825	0.7
91.05486	51.0
91.36172	0.9
93.07048	75.6
94.01922	0.9
95.04971	15.5
95.08611	29.1
97.02906	1.0
97.06537	11.0
97.10175	2.8
99.08090	3.3
105.04509	2.7
105.07037	34.3
107.04967	5.2
107.08602	29.1
109.06506	4.5
109.10175	6.6
111.08118	5.2
113.06021	1.0
115.05431	1.3
117.07021	9.8
119.06081	1.1
119.07722	1.0
119.08583	17.9
119.09378	1.6
121.06503	2.8
121.10155	15.0
123.08049	4.2
123.11677	1.7
127.07608	1.1
128.06284	2.1
129.07019	11.4
131.08583	8.9
133.06442	1.2
133.10141	12.8
135.08089	1.5
135.11717	6.7
137.09660	1.3
141.09094	1.2
143.08586	6.0
145.10149	8.1
147.08032	2.6
147.11691	23.6
149.09616	1.1
149.13263	18.5
157.10120	1.6
159.11713	8.7
161.09656	2.9
161.13257	8.1
165.12830	1.4
169.10220	1.1
171.11684	19.9
173.13338	1.3
177.12756	4.6
189.12732	8.7
195.13823	7.6
204.60332	0.9
207.13797	29.4
213.14853	1.2
225.14833	4.9
257.96570	0.9
263.16495	1.2
269.17508	1.1
281.17462	2.5
337.28748	1.1
349.16876	1.5
424.26584	0.9
457.29593	2.0
475.30557	100.0
476.30902	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	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03952	7.0
53.56879	0.8
55.01881	4.4
55.05274	1.2
55.05519	18.9
56.49163	0.8
57.03447	4.4
57.07064	2.0
62.99120	0.8
63.46413	0.9
65.03940	4.3
65.13514	0.8
67.05509	72.7
68.82567	0.8
69.03423	2.4
69.07074	21.0
70.58192	0.8
71.04995	5.5
71.53197	1.0
72.72774	0.8
73.02886	1.0
77.03922	1.8
79.05498	76.4
81.03433	7.8
81.07062	84.2
83.04989	12.7
83.08616	13.9
85.06552	4.7
87.39668	0.8
91.05489	55.4
93.07049	73.4
93.13789	0.8
95.04981	17.3
95.08610	31.0
97.06541	7.9
97.10174	3.2
99.04494	0.8
99.08083	2.9
103.05447	1.4
105.04520	4.2
105.07041	33.5
107.04945	3.7
107.08600	28.7
109.06503	5.7
109.10151	7.3
111.08096	4.6
113.06062	1.0
117.07021	11.2
119.08586	16.9
121.06524	3.2
121.10161	13.0
123.08088	5.9
123.11735	2.0
124.02507	0.8
127.07619	1.4
128.06216	3.2
129.07013	10.6
131.08562	9.4
133.06496	1.8
133.10158	13.6
135.08067	2.9
135.11688	6.4
139.11093	2.0
143.08586	7.6
145.10114	7.2
147.07999	1.8
147.11694	24.1
149.09543	1.1
149.13268	24.2
151.11232	1.2
155.08594	1.0
156.09373	1.5
157.10144	1.4
159.11671	7.6
161.09647	3.3
161.13269	9.2
163.11165	1.7
167.14391	1.2
171.11700	18.6
177.12798	4.7
189.12701	8.2
195.13844	7.6
207.13806	29.7
213.14835	1.7
225.14813	4.1
269.17584	2.4
281.17581	1.5
383.25760	2.7
401.26859	1.8
457.29486	3.7
475.30585	100.0
476.30798	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
53.03951	7.8
55.01875	4.0
55.05517	24.0
57.03442	4.9
57.07086	1.6
65.03951	5.7
67.05511	78.7
68.68738	0.8
69.07073	22.2
71.01350	0.9
71.05007	3.9
73.06571	1.6
77.03938	1.4
79.05500	82.8
81.03428	7.0
81.07062	82.1
83.04985	12.9
83.08627	12.0
85.02928	0.9
85.06535	4.9
87.04487	1.1
91.05488	57.6
93.07051	81.2
95.04980	18.9
95.08613	32.6
97.02888	0.9
97.06538	9.8
97.10184	2.9
99.04496	0.9
99.08121	2.8
100.20612	1.1
103.05505	1.1
105.04522	3.6
105.07037	34.6
107.04972	4.6
107.08603	33.2
109.06525	5.8
109.10165	4.6
111.08101	6.3
113.05988	1.0
113.09697	0.9
115.05437	2.2
117.07014	11.6
119.08591	19.3
121.06521	3.2
121.10144	14.6
123.08110	4.2
125.09564	1.0
127.07534	0.8
128.06250	2.4
129.07011	12.2
130.00667	0.7
130.97749	0.9
131.08569	9.9
133.06496	1.0
133.10132	11.1
135.08063	2.5
135.11688	7.4
139.11237	1.6
141.06993	0.9
141.09148	1.1
143.08560	5.9
145.10115	7.6
147.08063	2.7
147.10519	1.3
147.11696	26.0
149.09590	1.0
149.13272	24.8
153.09180	0.9
155.08574	0.9
157.10172	1.2
159.11710	11.3
161.05992	0.9
161.09665	3.4
161.13274	7.4
163.11234	1.2
171.11696	18.9
176.88403	0.7
177.12801	4.2
179.14427	1.4
182.28294	0.7
184.15678	0.8
189.12738	9.3
195.13866	8.3
202.35495	0.8
207.13821	32.5
207.15779	1.7
213.14915	1.1
225.14923	5.7
269.17392	1.8
281.17468	1.3
329.48465	0.8
335.25897	1.4
337.25375	0.9
363.13742	0.9
375.84787	0.9
383.22260	1.3
475.30600	100.0
476.31342	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	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	1.1
51.02379	2.0
53.03952	9.0
53.10296	1.2
54.59578	1.2
55.01862	5.4
55.05513	20.3
55.39973	1.1
57.03427	5.5
57.07073	3.0
58.57772	1.2
65.03935	5.4
65.36559	1.1
67.05510	78.6
69.03412	1.9
69.06730	2.0
69.07072	27.3
71.05003	6.7
71.52681	2.3
73.02925	1.2
79.05495	77.4
81.03436	7.9
81.07061	85.2
83.04980	12.7
83.08217	1.6
83.08630	14.8
85.06541	4.8
91.05485	60.5
93.07049	76.4
95.04965	17.7
95.08613	31.2
97.06525	9.7
97.10191	2.7
99.08094	2.9
105.04553	3.4
105.07041	33.7
107.04958	6.2
107.08603	34.9
109.06497	5.9
109.10146	5.9
111.08088	4.2
113.09658	1.2
115.05482	1.8
117.07018	12.9
119.08596	18.6
121.06503	4.0
121.10143	15.0
123.08064	3.7
123.11699	1.8
127.07529	1.7
127.58508	1.1
128.06242	1.8
129.07008	13.7
131.08594	12.2
132.04898	1.2
133.10141	10.2
135.08089	3.2
135.11711	5.4
139.00139	1.2
143.08562	7.7
145.10139	8.2
147.08118	1.4
147.11688	26.0
149.09615	2.2
149.13271	24.3
151.07527	2.0
153.71671	1.1
155.61211	1.3
157.10045	1.2
159.11708	12.1
161.09644	2.9
161.13231	6.7
171.11693	22.5
177.12770	5.1
179.14333	1.9
189.12698	10.6
195.13835	11.8
207.13805	33.4
225.14803	6.2
239.16292	1.3
251.13928	1.8
269.90002	1.4
401.26877	1.6
457.29144	2.6
475.30579	100.0
476.31143	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	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31097	0.9
53.03950	2.2
55.01857	1.6
55.05515	1.5
57.03446	1.8
57.07083	1.8
61.02930	1.5
61.79137	0.8
67.05506	2.9
69.03436	34.8
69.07065	3.4
70.06606	6.2
70.93468	0.8
71.05013	1.2
71.22464	1.4
71.22818	1.2
72.08159	1.6
73.02930	1.4
77.04121	0.9
77.16290	1.0
79.05485	1.4
81.03433	4.2
81.07056	4.9
83.04984	2.9
84.08148	2.9
85.02911	13.3
85.06547	3.3
85.18182	0.9
86.09709	2.9
87.00836	6.2
91.05477	3.4
93.07055	3.1
94.06551	1.1
95.04942	1.4
95.08617	5.9
97.02909	5.9
97.06554	4.9
99.04473	2.1
105.01884	4.8
105.07056	3.5
107.04913	0.9
107.08604	9.0
109.02910	4.9
109.06524	3.5
109.10177	1.8
110.07170	1.5
111.08091	2.8
116.14186	0.9
117.07006	1.0
119.08579	3.7
120.08114	1.9
121.06479	2.0
121.10152	7.0
123.08104	2.4
123.11710	4.7
125.09647	14.6
127.03913	7.8
128.73517	0.8
129.10252	1.2
129.27858	1.1
131.08554	4.5
133.10144	3.4
135.08063	6.5
135.11661	4.6
136.07607	1.1
143.08527	1.3
145.04976	3.1
145.10139	3.2
147.04370	0.9
147.11708	2.3
149.09625	4.9
149.13246	2.9
150.07472	0.9
153.09129	5.0
158.10893	2.7
159.02899	3.7
163.11176	2.0
163.14832	3.5
165.12819	2.3
173.13313	15.5
191.14322	65.7
198.61833	0.8
208.14122	1.2
209.15378	100.0
231.04990	1.4
264.04395	1.0
269.92105	0.9
311.74698	0.9
456.29642	1.0
490.81958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01885	13.6
55.05281	2.0
55.05517	28.0
57.03435	8.1
59.05017	2.6
60.04529	3.8
62.54936	2.1
65.03925	3.2
67.05509	35.5
69.03428	8.8
69.07079	11.6
70.06586	9.2
70.24461	2.0
70.84784	4.9
71.04981	6.3
72.08135	2.9
79.05495	42.7
81.03416	11.7
81.06593	4.1
81.07061	78.6
83.04991	14.7
83.08630	15.9
84.08146	6.7
85.02907	13.1
85.04148	2.1
85.06522	4.2
86.09684	3.4
87.04468	2.5
91.05486	37.7
93.06501	2.6
93.07055	37.3
95.04977	24.2
95.08614	22.1
97.02891	6.3
97.06522	9.6
97.10173	21.3
99.04465	3.6
99.08070	3.1
103.03947	2.8
105.07042	23.9
107.04973	16.2
107.08593	30.7
109.02898	6.7
109.06518	12.7
109.10167	13.4
110.07129	2.7
111.04448	17.4
111.08096	11.6
117.07067	16.5
119.07807	3.3
119.08598	34.1
120.08100	3.6
121.06477	15.7
121.10137	16.2
123.04474	2.1
123.08068	14.9
125.06028	3.7
125.09648	19.4
127.03915	9.0
128.06273	3.1
129.05473	3.2
129.06987	7.3
131.08589	22.0
133.06468	4.8
133.10132	13.7
135.04396	2.3
135.08047	9.7
135.11736	10.9
137.06030	3.1
137.09634	8.1
143.08572	7.8
145.04953	3.7
145.06473	4.1
145.10141	22.9
147.08058	17.0
147.11684	8.5
149.09596	10.9
149.13232	2.7
151.11168	7.4
153.09103	5.6
153.12737	5.1
155.08577	3.1
157.10101	8.9
159.07988	3.5
159.11665	8.9
161.09650	12.3
161.13240	5.4
163.11182	17.8
165.09120	6.1
169.10147	2.1
171.11714	4.4
173.09653	6.8
173.13213	4.4
175.11234	4.0
181.12257	6.7
185.09669	3.6
185.13269	3.8
187.11259	3.1
189.11226	13.4
189.12762	5.3
191.10678	12.8
193.12138	3.6
199.11133	3.1
207.13797	15.0
213.12851	3.2
223.13274	7.2
225.14902	17.5
227.12827	18.6
227.18047	3.7
245.18877	3.8
255.17473	6.0
273.18521	50.3
283.15375	3.4
291.19562	100.0
347.22107	6.5
365.23291	20.0
383.24591	3.3
427.24771	2.7
437.21350	4.2
455.22931	10.5
455.28143	3.3
473.17468	5.1
473.23703	14.8
473.29398	6.9
486.54855	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	473.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01870	10.4
55.05516	26.4
57.03427	9.3
60.04523	2.9
65.03929	2.6
67.05505	35.0
69.03424	8.7
69.07070	12.4
70.06580	7.0
71.05001	5.2
71.52074	2.0
71.52529	2.7
72.08172	3.2
73.39874	1.8
79.05072	3.6
79.05493	46.2
81.03433	11.4
81.06598	4.3
81.07060	70.5
83.04978	13.8
83.08618	16.2
84.04495	2.5
84.08128	6.2
85.02893	10.7
85.06548	3.3
86.09715	6.5
91.05484	29.3
92.05804	2.0
93.07043	32.8
95.04971	16.3
95.08609	18.3
97.02910	5.0
97.06524	8.2
97.10183	20.6
99.04441	3.2
103.05492	1.9
105.07038	21.7
107.04980	13.4
107.08589	28.0
109.02877	4.7
109.06512	14.5
109.10169	13.6
110.07157	3.7
111.04443	12.6
111.08059	7.9
117.05447	2.4
117.07008	15.7
119.08582	27.7
120.08107	3.5
121.06509	9.1
121.10141	16.3
123.04453	2.3
123.08059	16.3
124.21774	1.9
125.05963	3.6
125.09636	12.2
127.03912	8.1
129.05486	3.2
129.07010	7.0
129.10255	3.0
131.08575	20.9
133.06464	6.3
133.10146	13.5
135.08075	11.2
135.11656	11.8
137.05962	2.8
137.09602	5.2
141.05472	2.6
143.08556	9.2
145.05026	2.8
145.10127	21.6
147.08040	15.8
147.11702	6.3
149.09566	11.4
149.13310	2.9
151.11215	5.7
153.09096	3.6
153.12773	4.9
155.08467	2.1
156.10260	2.4
157.06459	2.5
157.10197	5.8
159.02924	2.5
159.08063	3.4
159.11670	6.0
161.09663	10.5
161.13254	3.9
163.11200	19.0
165.09109	7.3
171.11703	6.8
173.09583	6.4
173.13245	3.6
175.11220	4.8
177.12767	2.5
181.12242	7.4
185.13225	3.5
187.11040	4.0
189.11217	12.7
189.12715	3.6
191.10606	10.5
195.11734	2.8
199.13124	2.4
199.14825	2.3
201.16347	2.5
205.12201	2.7
207.13788	14.7
223.13271	5.6
225.14825	15.3
227.12776	14.1
227.17981	3.4
237.16460	2.5
245.19075	4.6
249.14882	4.0
255.17429	7.0
273.18518	38.6
280.67291	2.3
283.15381	3.2
291.19537	100.0
347.22083	4.4
365.23245	20.3
383.24292	5.5
437.21512	3.8
455.22681	6.4
455.28232	2.7
473.17770	3.0
473.23621	15.9
473.29614	9.1
474.04480	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01868	4.0
55.05506	1.6
57.03441	3.7
61.02923	4.1
62.23203	0.6
67.05489	2.2
68.99782	1.7
69.03432	19.6
69.35642	3.6
69.36050	1.3
70.06578	2.8
71.04990	2.6
72.08157	1.7
73.02914	4.0
77.34461	0.6
79.05489	0.9
81.03418	21.4
81.07043	2.6
83.04986	5.9
84.04485	0.7
84.08140	2.1
85.02904	46.9
85.06539	0.7
86.09713	3.8
86.56886	0.7
87.00831	16.3
91.03946	0.7
91.05481	1.7
93.07042	2.7
95.04956	2.0
95.08611	4.7
97.02288	1.2
97.02891	15.3
97.06493	1.5
99.04461	8.1
99.08089	4.7
103.03964	1.0
105.01865	13.6
105.07029	2.0
107.08577	2.5
109.02872	18.6
109.06511	13.5
109.10122	1.4
110.07201	0.8
111.04439	7.1
111.08036	0.6
115.03910	0.8
117.01873	2.3
119.08585	2.8
120.08060	1.1
121.06501	3.5
121.10143	5.2
123.08066	100.0
124.08439	0.8
125.09628	2.3
127.03916	30.3
129.01860	1.3
129.10300	0.7
132.54124	0.6
133.10126	2.8
135.11760	1.1
137.09630	1.6
139.11227	0.8
142.87730	0.6
145.04959	13.3
145.10098	1.2
147.02899	2.2
147.04340	0.6
147.11714	2.1
149.09607	5.8
151.07541	1.5
151.11188	3.5
159.02885	9.3
161.13335	0.7
163.11183	2.0
165.12732	1.7
167.10651	4.1
171.11732	0.7
173.13419	0.6
174.36934	0.7
181.04950	0.9
181.12218	8.1
186.49876	0.7
189.03969	1.2
189.12723	1.5
205.12227	1.4
207.13808	11.2
213.03952	2.6
225.14862	29.1
231.05017	6.7
463.09897	0.7
473.19855	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.01870	1.2
55.05503	2.6
57.03435	1.0
57.07087	1.0
59.05013	2.7
61.02901	0.8
66.64355	0.6
67.05508	8.3
69.03436	22.9
69.07072	5.1
70.06599	3.5
70.51321	1.0
71.04987	1.4
72.08169	3.7
73.02898	1.0
79.05506	4.6
81.03423	6.5
81.07059	6.1
83.04964	2.4
83.08630	1.4
84.04512	1.2
84.08138	2.3
85.02909	7.7
85.06541	1.5
86.09241	0.6
86.09715	7.0
87.00853	2.6
87.04456	1.1
91.05480	2.2
93.07029	3.7
95.04971	5.6
95.08617	8.4
97.02900	6.7
97.06535	4.5
99.04434	1.7
100.11272	0.9
105.01857	2.1
105.07037	7.7
106.48415	0.5
107.04968	1.2
107.08611	4.4
109.02872	3.7
109.06554	5.8
109.10168	3.4
110.07241	1.7
111.04469	0.6
111.08098	3.7
119.05000	0.6
119.08593	7.9
120.08092	1.5
121.06516	2.0
121.10155	6.5
123.04442	11.7
123.08072	4.1
127.03916	7.0
129.10248	1.9
131.08537	1.1
133.06540	4.1
133.10146	9.9
135.11696	2.0
137.05988	5.2
137.09634	13.8
139.11195	10.3
143.08578	0.7
145.04965	3.6
145.10129	2.1
147.04456	1.0
147.08066	1.6
147.11708	8.7
149.09656	6.4
151.07574	2.1
151.11174	0.6
153.09131	0.6
156.09377	2.4
159.02898	1.9
159.11673	1.5
161.09520	0.9
161.13257	3.9
163.11188	4.5
165.12750	1.3
171.11722	3.1
174.10432	1.8
175.11142	0.6
179.14372	1.0
182.15327	0.7
185.16479	1.1
189.12761	12.6
192.60324	0.6
197.12787	0.7
207.13820	100.0
208.14203	0.8
211.15120	1.1
225.14871	19.7
231.04948	0.8
243.13319	1.6
271.23367	0.5
287.06616	0.6
327.01117	0.6
439.54367	0.6
455.32938	1.0
473.09302	1.8
473.20001	2.2
473.34155	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64682	0.7
53.03939	1.5
53.59818	0.6
54.10514	0.7
55.01871	1.7
55.05504	1.3
55.69719	0.8
56.05014	0.9
57.03429	3.1
59.04717	0.9
59.05002	16.2
61.02936	1.2
67.05495	1.8
69.03094	1.0
69.03436	16.7
69.07058	1.8
70.06593	7.0
70.48114	0.8
70.63729	2.2
71.10735	0.7
72.08157	3.0
73.02908	1.4
79.05501	2.7
81.03443	4.4
81.07059	3.5
83.04998	5.4
84.04506	1.5
84.08154	5.3
85.02906	9.8
86.09709	6.8
87.00835	3.8
87.10040	0.9
91.05482	1.6
93.07056	4.2
95.04971	0.9
95.08611	5.5
97.02901	6.4
97.06532	3.0
99.04443	2.4
102.05529	1.0
105.01888	2.7
105.07037	2.9
107.08605	1.9
109.02879	5.5
109.06501	2.4
109.10156	1.4
110.07154	1.1
119.08554	1.3
120.08119	2.7
121.10159	20.9
123.08068	5.4
126.60957	0.7
127.03942	7.8
127.07526	2.7
129.10231	3.2
133.10146	1.8
135.08014	0.7
137.06061	0.8
137.09622	2.0
139.11191	52.9
145.04965	2.7
147.04391	0.9
149.09584	1.4
151.07552	2.0
151.11177	1.6
151.46640	0.8
151.53725	0.8
159.02930	2.0
161.13246	1.5
163.11169	0.9
165.12781	0.8
167.10696	10.1
169.08612	21.3
179.14281	1.3
189.12791	3.0
207.13811	12.7
225.14876	100.0
226.15218	1.1
259.81824	0.7
360.47437	1.2
462.53259	0.9
473.20114	3.6
473.33646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01881	1.2
55.05511	5.7
56.05025	1.9
57.03431	1.3
57.07072	3.8
58.71706	0.8
59.05003	2.2
60.31399	0.7
61.02915	1.0
61.77449	0.9
65.03931	1.7
67.05513	22.6
69.03432	5.0
69.07065	2.4
70.06608	6.3
70.26667	2.3
70.27071	1.9
71.05001	2.1
72.08164	11.9
73.02922	1.4
73.34133	0.8
79.05499	2.6
81.03413	3.9
81.07059	2.5
83.04977	2.4
84.04523	4.7
84.08150	9.2
85.02911	11.9
85.06541	11.9
86.09716	15.7
87.00819	5.7
89.06068	1.1
91.05463	5.5
93.07049	9.9
95.04980	2.7
95.08615	100.0
95.29879	0.8
96.08894	0.8
97.02379	0.8
97.02871	4.4
97.06519	1.2
98.06075	1.6
98.21461	0.9
99.04452	1.1
103.03939	1.4
105.01870	9.5
105.07063	6.4
107.08603	9.2
107.28777	0.8
109.02884	4.5
109.06518	2.4
109.10139	2.0
111.08192	1.0
112.46361	0.9
112.86436	0.7
113.06007	11.9
116.07116	3.6
119.04954	0.8
119.08602	18.3
120.08121	7.6
121.06526	2.0
121.10153	7.5
123.07205	1.8
123.08081	30.7
123.11734	1.2
127.03932	8.9
129.10286	4.9
131.08559	1.8
133.06381	1.4
133.10162	2.7
134.09366	0.8
135.10715	1.2
135.11707	16.2
136.07570	2.4
137.09596	2.8
144.57185	0.9
145.04951	3.7
147.08035	1.6
147.11714	7.1
149.09636	39.4
151.07545	3.4
151.14828	3.4
152.65588	0.8
156.09286	1.0
159.02959	1.3
159.08005	1.1
161.13281	13.8
163.11192	8.8
165.09120	1.9
165.12776	10.1
171.11673	3.0
171.14929	1.0
174.10429	2.1
174.84673	0.9
179.14330	4.0
183.11333	2.1
185.16534	3.5
189.12767	18.2
197.12859	1.6
207.13826	79.4
208.16150	1.6
213.16054	1.9
229.11836	2.2
231.05069	1.9
243.13466	6.1
251.11475	0.9
261.14526	3.0
311.18387	1.3
356.21729	1.3
473.16183	3.5
473.24057	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	473.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05531	0.4
56.07216	0.4
57.03426	0.5
59.05008	0.5
67.05502	0.9
69.03435	2.5
69.07057	1.4
70.06600	2.8
71.52598	0.5
72.08146	1.8
73.02932	0.5
79.05514	0.5
81.03415	1.2
81.07050	0.9
83.04967	0.5
84.04497	1.0
84.08149	2.1
85.02898	2.4
86.09708	5.6
87.00814	0.5
87.04478	0.6
91.05496	0.6
91.30137	0.4
93.07024	0.8
95.04962	0.9
95.08620	1.9
95.53587	0.4
97.02902	1.1
99.04467	1.1
102.05534	0.4
103.03969	0.5
105.01829	0.6
105.05544	0.5
105.07030	1.6
107.08623	0.8
109.02876	1.1
109.06481	0.8
109.10133	0.4
110.07139	0.4
118.08611	0.4
119.08583	1.2
120.08102	1.0
121.10156	0.8
123.08065	1.6
125.09602	0.5
127.03921	2.3
129.10225	1.1
133.10155	1.3
136.07570	0.6
137.09631	2.0
139.11194	1.0
143.01971	0.5
143.03139	0.8
145.04945	0.5
145.10139	0.5
147.08002	0.7
148.07507	0.8
149.07944	0.5
149.09621	1.3
150.28246	0.4
159.08153	0.5
159.11737	0.5
161.13249	0.6
166.08678	0.5
171.11668	0.6
189.12770	1.7
200.41499	0.5
203.05301	4.0
207.13835	4.7
215.14053	0.5
225.14902	2.6
231.17039	0.7
243.13443	1.3
249.14619	3.2
269.12238	0.7
293.12811	0.8
311.14658	15.5
345.07904	0.9
353.14578	0.8
411.19916	1.0
413.17456	0.7
418.07581	0.5
473.19907	100.0
474.20334	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59975	0.8
55.01878	1.2
55.05512	2.5
55.24590	1.0
65.03922	1.0
67.04221	1.2
67.05509	1.5
68.05038	0.9
69.07053	2.6
70.96473	1.6
73.02895	0.9
73.42849	0.9
79.05506	5.0
80.05019	7.2
81.07067	18.3
82.06584	36.0
83.08615	1.0
89.06046	1.6
91.05477	4.8
93.05765	1.6
93.07043	3.0
94.06574	34.5
95.04960	4.9
95.07372	1.0
95.08620	1.2
96.08135	1.4
97.06503	1.2
97.10159	0.9
98.50103	0.9
101.02437	1.3
105.07059	1.2
107.04967	2.9
108.08124	20.0
109.06509	2.5
119.04958	1.7
124.03300	0.8
124.07591	15.8
126.09081	0.9
136.07578	13.3
137.05994	2.5
142.08643	51.2
145.72745	0.8
154.08641	100.0
164.63622	0.8
172.09676	10.1
178.08539	0.9
310.27432	2.6
315.17883	1.4
367.12982	0.9
424.34320	10.0
436.34323	12.7
454.35327	24.1
472.34851	2.0
475.36002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
56.05014	0.4
56.58149	0.3
59.52293	0.4
69.03422	1.2
69.07068	0.7
70.06586	3.0
71.05009	0.8
72.08160	1.9
73.02907	0.6
76.71885	0.3
77.89433	0.3
81.03416	0.7
81.07057	0.4
84.04511	0.9
84.08157	2.9
85.02901	1.8
86.09704	5.5
91.05483	0.6
93.07059	0.5
95.04970	0.4
95.08617	0.5
97.02906	0.7
99.04423	0.6
105.01910	0.4
105.07034	0.6
107.08556	0.5
109.02859	0.7
110.07160	0.9
116.07065	0.3
119.08581	0.7
120.08128	1.8
121.08390	0.4
123.08038	0.4
123.11735	0.4
127.03917	1.3
129.10242	1.3
133.10127	0.3
135.11667	0.4
136.07579	0.8
137.05989	0.6
145.04872	0.3
147.04417	0.6
149.09656	0.7
151.07555	0.4
161.13295	0.7
163.11205	0.5
163.95277	0.3
185.16338	0.4
189.12706	0.6
193.24348	0.3
199.18114	0.5
204.10226	0.4
207.13840	1.4
225.14862	2.9
232.48181	0.3
239.10655	0.4
312.55768	0.3
317.08398	1.0
335.09427	1.7
341.15741	6.6
343.51266	0.3
344.43161	0.3
473.19946	100.0
474.20288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05521	3.0
56.05026	0.7
57.03443	5.0
59.04989	1.5
60.04511	0.6
61.02922	1.1
65.03916	0.6
67.05510	23.8
69.03438	3.4
69.07060	1.0
69.61246	2.2
70.06603	2.2
71.04991	1.6
72.08147	0.8
73.02911	0.9
79.05490	1.0
81.03426	3.9
81.07061	3.6
83.04991	3.7
83.08624	3.2
84.04499	0.9
84.08135	1.7
85.02933	2.6
85.06544	1.1
86.09714	5.6
87.70882	0.4
90.43562	0.5
91.03990	0.4
91.05485	2.7
93.07044	1.6
95.04997	0.7
95.08595	2.0
95.69702	0.4
97.02897	2.2
97.10189	1.1
97.63763	0.5
98.21533	0.6
99.04471	0.9
103.03954	3.4
105.07015	0.5
107.04913	0.5
107.08584	1.2
109.02862	0.9
109.10168	33.8
110.07175	0.8
111.04462	1.5
111.08080	1.3
119.08589	3.5
120.08131	0.7
123.08119	0.7
123.92060	0.5
125.00007	1.3
125.09634	1.1
127.03929	2.3
129.05482	1.8
129.10280	0.6
133.10150	1.0
137.09610	2.2
142.26811	0.5
145.04881	0.5
145.10158	0.8
155.10669	4.9
163.06076	0.5
173.11754	13.6
184.07349	6.2
189.11244	0.7
192.29373	0.6
229.14368	100.0
230.14752	0.6
246.17021	0.8
273.03784	0.5
281.16864	0.4
294.25507	0.5
299.14816	1.3
337.16458	1.4
355.17557	2.6
373.18619	5.8
391.19226	1.0
408.22278	1.8
440.24063	0.7
472.21957	0.7
473.17590	1.0
487.70700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88869	1.4
57.03441	4.1
61.02929	4.9
69.03440	12.4
70.24963	2.7
70.25350	3.2
73.02940	2.1
81.03419	6.5
84.04499	1.9
85.02914	51.8
87.04480	1.9
91.05476	2.3
94.04195	18.7
97.02895	15.9
99.04460	3.3
105.76282	1.4
108.05729	3.8
108.25962	1.5
109.02875	4.8
118.04201	7.6
118.06542	4.0
118.40426	1.5
119.04976	4.2
120.04494	1.9
120.05718	4.9
121.02836	2.5
122.03635	1.7
127.03922	9.3
130.04976	1.6
134.06038	7.4
135.04509	2.9
135.05788	3.7
135.06808	57.0
136.05170	3.1
138.90326	1.6
140.70580	1.6
145.04982	6.6
146.03654	3.7
147.04453	7.3
150.70282	1.7
163.03902	6.2
164.04681	20.4
244.94606	11.0
246.82309	1.8
246.96158	2.3
248.94106	34.2
250.73595	1.9
253.40311	1.6
261.97272	90.7
272.94125	8.8
290.95126	54.6
303.98193	3.8
307.97803	100.0
349.98798	4.4
360.99005	1.6
434.00940	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.1
55.01865	1.1
55.05517	4.4
57.03430	0.8
57.07063	1.1
67.05492	4.2
69.03439	6.7
69.07056	2.8
70.06588	1.8
71.53115	1.1
71.54125	0.9
72.08157	1.0
79.05499	5.8
81.03419	3.1
81.07066	7.1
83.04979	2.2
83.08618	1.4
84.04523	1.3
84.08136	1.5
85.02892	3.8
85.06525	1.2
86.09698	1.6
91.05476	6.7
92.67342	0.9
93.07045	4.8
95.04959	1.8
95.08607	4.0
97.02864	2.1
97.06542	1.2
99.04482	1.2
100.11240	0.9
101.02381	4.8
105.07030	9.4
107.04965	3.3
107.08597	17.8
109.02852	2.0
109.06504	3.8
109.10143	7.5
111.04493	0.8
115.05415	1.6
117.07014	1.9
119.03448	6.6
119.08562	5.7
121.06487	2.4
121.10157	12.1
122.07337	4.8
123.08057	2.2
127.03917	3.5
131.08578	4.1
133.10130	100.0
135.08031	8.6
135.11681	1.7
137.05954	1.2
137.09618	57.5
139.03876	0.9
143.08557	1.2
145.04877	0.9
145.10127	2.4
147.11685	2.7
149.09659	2.1
149.13242	9.6
151.03947	0.9
151.23680	0.7
161.06004	1.0
161.09673	1.6
163.14835	1.7
165.12822	1.1
170.15355	1.1
171.11743	1.1
173.13286	6.2
184.07339	2.7
185.07745	0.9
187.14880	0.9
191.14307	50.7
199.15111	1.2
203.05397	1.1
209.15340	6.5
223.16937	5.6
289.17984	1.3
303.05182	1.2
305.11624	0.8
309.16800	1.0
392.23557	0.9
471.22009	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
53.18241	0.3
55.01875	2.0
55.05500	0.9
57.03447	1.9
59.69598	0.3
69.03430	9.7
69.35721	0.9
69.36122	2.4
71.01340	0.8
71.04997	4.6
73.02899	0.7
81.03418	23.5
83.04984	4.1
85.02895	1.6
86.09702	0.9
99.04453	10.6
103.03922	2.3
104.10728	0.6
109.02883	10.8
116.04938	0.6
117.05482	2.6
118.06538	2.2
122.15393	0.3
127.03926	2.8
129.29506	0.4
145.07631	3.3
147.09177	7.0
162.07922	0.9
163.08698	1.3
173.07120	8.9
175.08669	11.9
183.91148	0.4
190.07385	0.6
191.08154	100.0
192.08464	0.9
199.08629	0.9
203.08099	0.7
203.11566	0.4
204.08946	1.3
213.10164	1.3
231.11269	0.6
233.09216	1.2
243.11279	0.8
271.10794	2.7
274.23401	0.5
287.55109	0.4
289.11862	8.5
307.12881	36.5
308.13214	0.6
325.13916	34.4
331.12918	7.8
349.13931	7.6
371.16052	2.1
389.17087	4.2
397.13934	5.0
407.18054	1.5
415.09634	0.8
415.14966	11.1
433.16113	12.6
451.17108	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	469.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01675	0.2
55.01874	2.6
55.05500	0.4
57.03425	1.2
59.05007	0.5
59.71783	0.3
61.02920	0.3
67.05496	0.9
69.03434	8.9
69.07066	0.5
70.06595	1.5
71.04994	7.3
71.25301	0.4
72.08152	0.8
73.02925	0.6
74.64787	0.3
79.05471	0.5
81.03422	8.5
81.07037	0.8
83.04971	1.2
83.08605	0.3
84.04500	0.5
84.08151	1.6
85.02894	0.9
86.09713	1.4
87.04469	0.6
91.05487	0.9
93.07024	0.5
95.04929	0.3
95.08597	0.8
97.02894	0.3
99.04459	4.7
107.08597	0.3
109.02861	2.4
115.07546	0.5
116.04987	0.3
117.05492	1.7
118.06557	3.2
119.04889	0.3
119.08617	0.3
120.08112	0.5
121.10169	0.4
123.18467	0.2
127.03910	1.1
129.10239	0.8
135.11722	0.4
136.07574	0.3
145.07626	3.9
147.09163	3.5
161.05901	0.4
162.07904	0.5
163.03931	0.4
163.08633	0.6
173.07111	9.1
175.08682	4.5
189.09056	0.4
191.08160	100.0
192.08464	0.9
203.08163	0.3
205.09697	0.4
213.09070	0.3
231.11371	0.3
233.09149	0.6
253.21594	0.5
259.09613	0.7
271.05569	0.3
271.10867	0.3
271.22760	0.9
272.15707	0.3
289.11850	3.9
289.14832	0.3
291.90417	0.3
307.12891	62.7
308.13309	0.5
325.13956	16.4
371.16364	0.3
389.16800	0.4
396.64084	0.3
397.13901	1.1
407.18076	1.2
409.16180	1.2
415.15021	1.3
433.16061	4.9
451.17184	0.8
469.16397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34704	1.5
55.05503	5.8
57.07080	52.6
57.89805	1.4
67.05495	5.4
69.07082	8.5
71.08238	2.8
71.08635	46.6
71.29335	2.2
72.50179	1.5
73.06552	4.5
73.42519	1.7
74.25321	1.6
79.05495	2.2
81.07061	9.7
83.08611	5.5
85.10184	31.6
87.04472	2.9
89.06038	100.0
93.07049	3.7
95.08603	3.6
97.10165	3.3
99.11732	7.6
105.07024	4.0
107.07056	2.2
107.08566	3.9
109.06467	1.6
109.10159	6.7
111.11713	2.4
113.13285	4.6
114.69469	1.4
117.09136	1.6
119.08560	3.9
121.10145	2.0
123.11709	1.8
127.14738	1.9
130.08644	3.0
133.08607	64.5
133.10100	3.3
135.11702	4.5
137.09666	7.8
145.12872	1.5
147.11693	2.4
149.09587	1.7
165.09128	43.5
169.19525	5.6
177.11235	23.2
179.10585	2.0
195.12338	2.9
203.10695	2.2
203.17987	1.8
205.12286	6.3
213.22072	1.9
217.12291	16.0
221.13867	3.3
239.14983	4.2
254.91280	1.7
257.24805	8.6
283.17526	34.9
301.27359	4.9
353.21112	1.6
363.30661	1.7
407.33652	2.1
423.32574	7.8
451.36322	45.7
468.27927	6.4
468.38638	3.2
470.68341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.0
57.03456	1.3
57.07080	65.4
59.05000	2.6
62.06099	4.6
67.05509	4.0
69.03448	1.1
69.06749	1.2
69.07065	7.0
71.08637	52.1
71.53513	1.5
73.06565	3.8
79.05489	2.4
81.07077	2.7
83.04971	1.5
83.08630	5.1
85.06541	3.3
85.10189	32.5
87.04471	4.1
89.06036	100.0
91.05483	2.9
93.07056	2.8
95.08607	3.5
97.10185	6.5
98.98534	1.1
99.11751	8.8
103.03953	3.2
105.07042	3.6
107.07053	1.7
107.08608	4.2
108.08891	1.8
109.06522	3.6
109.10147	3.3
111.11726	5.0
113.13304	5.3
117.07067	1.2
117.09151	1.4
119.08591	3.2
120.08961	1.1
121.10155	1.7
125.05969	2.3
125.09630	2.9
130.08652	2.3
131.08565	1.8
133.08609	56.9
135.08017	1.4
136.08408	1.1
143.08521	1.6
144.08919	1.3
145.10118	2.6
146.10445	1.2
151.11247	1.7
155.01071	1.3
157.10095	1.2
158.10478	1.0
159.08005	1.2
161.09698	1.6
163.11194	3.0
164.11594	1.6
169.10172	1.1
169.19539	1.4
171.11572	1.2
177.09694	1.2
177.11235	23.3
178.80307	0.9
181.12221	1.6
182.12637	1.7
183.11789	1.5
195.12306	3.2
196.12325	1.0
213.22159	1.7
221.13931	5.4
239.14825	2.2
257.24750	7.1
265.16388	1.5
283.17535	32.6
296.29556	2.2
297.15167	1.3
301.27432	5.2
327.28937	17.0
363.30914	1.2
394.28204	1.5
407.25659	1.2
407.33548	1.9
418.28232	1.0
436.29388	2.2
450.30078	1.5
451.36346	47.7
468.31848	14.1
468.38449	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	468.3089
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
52.15598	0.3
54.59076	0.3
55.05523	0.5
56.05032	1.1
57.03434	0.6
57.07079	3.1
58.06600	1.5
59.07377	0.3
60.08168	16.7
67.05494	1.2
69.07067	1.2
71.07378	6.0
71.08646	2.4
71.53381	0.4
73.42122	0.3
79.99396	0.3
81.07069	1.5
82.15704	0.3
83.08610	0.5
85.10190	1.0
86.09711	47.0
89.06006	0.4
95.08596	1.4
98.98484	3.3
104.10750	100.0
105.07032	0.3
109.06525	0.5
109.10184	0.9
111.11691	0.3
119.08612	0.3
125.00013	25.0
136.99947	0.3
160.92963	0.3
163.01561	0.5
175.05811	0.3
184.07350	92.2
234.02199	0.3
236.50629	0.3
258.11026	1.3
277.72311	0.3
285.24252	2.4
450.29852	9.1
468.30893	40.7
469.31302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.6
55.05514	23.9
60.08177	13.2
63.21460	11.3
69.03413	20.4
69.07062	45.2
70.06589	48.3
71.52319	24.2
72.08152	32.6
72.68883	10.8
79.05492	13.8
81.03407	21.8
81.07050	25.7
83.08627	17.8
84.04478	12.7
84.08142	34.8
85.02911	51.5
86.09709	89.4
91.05487	24.2
93.03500	10.4
97.02901	28.0
97.06560	15.3
99.08103	18.9
104.10757	100.0
107.08628	15.5
109.02888	18.8
109.10166	19.9
110.07180	32.1
119.08549	22.9
123.11675	13.4
125.00025	31.2
127.03924	31.7
129.10233	21.0
133.10141	40.4
147.04408	14.1
147.08099	13.1
157.15865	18.0
161.13268	24.8
176.14667	14.8
183.09402	13.1
184.07370	92.0
194.73674	14.3
203.14265	20.0
253.14400	45.5
271.15393	36.5
468.23343	29.2
468.29349	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	468.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01876	6.8
55.05507	5.1
56.05038	1.5
57.03436	14.4
59.04986	2.0
61.02930	8.4
62.12651	0.8
64.72677	0.8
67.05495	2.6
69.03433	27.1
69.07071	36.9
69.79179	3.4
69.79601	1.4
70.06594	4.4
71.01360	4.1
71.04975	2.1
72.08144	3.6
73.02510	1.8
73.02919	38.2
79.05524	0.8
81.03420	5.1
81.07052	1.8
83.01303	0.9
83.04965	2.0
84.04492	1.9
84.08145	5.2
85.02908	66.5
86.09708	9.5
87.04470	4.5
90.86483	0.9
91.03934	2.5
91.05478	2.1
93.07030	2.3
95.04949	1.1
95.08609	7.0
97.02896	51.6
97.06538	1.0
97.10144	1.7
99.04465	2.9
101.02393	1.6
103.03934	3.4
105.07008	1.0
109.02879	6.4
109.10174	1.0
110.07165	1.2
111.04436	1.0
111.10950	2.1
111.11724	40.5
115.03936	20.1
120.08074	1.8
121.10121	3.4
124.99998	2.9
125.09673	0.9
127.03925	22.7
129.10225	2.1
131.04207	1.0
133.04970	26.0
133.10118	1.1
136.07530	1.4
139.11183	53.9
145.04955	27.8
157.12244	100.0
163.06024	11.2
177.05515	1.5
184.07335	16.7
193.04951	2.0
199.05954	2.3
217.07013	1.2
223.06039	5.5
229.07195	0.9
241.07106	6.7
253.14343	3.8
259.08139	12.4
271.15445	6.4
277.09167	2.8
295.10220	3.8
300.00751	1.0
306.05759	2.0
319.34839	1.1
320.04852	1.5
322.05127	1.6
439.51752	0.9
468.24356	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	468.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48897	0.4
55.01864	0.8
55.05516	0.5
56.05021	0.5
57.07067	0.4
58.99582	2.0
60.04511	0.8
61.01157	4.7
67.05502	0.8
68.05013	1.0
69.03435	41.9
69.07061	0.5
69.68333	1.5
69.68760	1.6
70.06599	3.0
72.04224	0.5
72.04528	5.8
72.08163	1.7
73.02903	1.4
74.06092	0.6
76.02235	12.6
78.03796	10.3
79.05495	0.6
84.04513	0.7
84.08145	1.5
85.02886	1.0
85.06535	0.7
86.06074	4.1
86.09711	2.1
87.02709	0.8
88.02234	2.7
91.05508	0.6
95.04948	0.8
96.88086	0.5
98.06049	5.4
98.88075	0.5
99.05572	1.1
102.03774	18.6
103.02183	1.6
110.07125	0.5
113.06019	1.2
114.03758	7.0
115.08675	1.0
118.03270	1.3
119.62682	0.5
120.04828	2.8
120.08137	0.8
122.02774	0.9
124.07583	1.0
127.02164	0.8
128.04320	0.7
128.05316	12.1
129.03749	1.4
129.10262	0.5
130.03233	2.1
130.08635	0.7
131.06384	7.6
132.04799	9.8
135.50613	0.5
140.05975	0.7
140.07071	12.7
142.08661	3.6
143.06339	1.3
144.04811	3.9
146.06374	0.7
147.04480	0.7
147.05876	1.2
149.03828	0.7
149.07455	28.6
152.94431	0.5
156.04819	1.1
159.05888	1.7
160.05051	1.4
172.04279	2.3
175.05356	0.5
178.03517	0.8
184.09782	1.1
188.07295	0.5
190.05322	3.0
194.58482	0.5
198.05840	1.7
202.05399	1.6
207.07990	0.5
217.10063	3.4
227.07822	0.4
243.11685	0.5
244.06361	1.7
245.75780	0.5
249.07198	1.1
261.09033	0.7
261.12747	3.3
275.08890	4.5
321.09344	7.6
329.15216	0.7
338.12042	100.0
339.12262	1.3
384.64685	0.6
384.69998	0.5
450.17300	20.1
468.12506	0.7
468.18671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3159
Annotation	Mastigophorene A
Peak:m/z	Relative Intensity
53.03933	2.7
55.05511	10.2
57.07069	10.9
57.86299	2.1
59.05002	20.4
63.44066	2.3
63.82773	2.0
67.05504	13.4
69.03424	8.2
69.07066	10.1
71.04983	2.9
71.08646	3.1
71.52570	4.0
73.68977	2.3
79.05504	8.4
81.07056	18.5
83.04988	13.2
83.08616	3.6
85.06556	28.5
89.06009	4.7
91.05476	19.2
93.07060	24.7
93.37803	2.6
95.05000	11.4
95.08600	14.1
97.02895	23.6
97.06544	9.2
97.10179	2.5
105.07028	20.9
107.04982	3.5
107.08597	14.0
109.06539	17.9
109.10166	9.4
111.08109	3.4
113.12175	2.4
117.07029	6.2
119.08592	33.3
121.06493	4.4
121.10178	16.1
123.08086	9.3
123.11709	3.8
125.05978	14.6
125.09633	12.5
129.07007	5.3
131.08559	17.4
133.10136	20.6
135.08089	11.9
135.11734	7.9
137.09677	5.7
142.07791	7.1
143.08525	12.3
145.10132	18.8
147.08037	5.7
147.11676	5.6
151.07542	6.6
151.11180	11.5
153.12726	3.9
155.08545	7.9
156.09315	3.8
157.10118	15.3
159.08090	9.5
159.11719	10.2
161.09589	11.8
163.07578	2.9
163.11192	24.5
165.09114	4.5
165.12759	3.5
169.10226	8.2
171.11732	9.6
173.09573	3.0
173.13321	6.6
175.11212	4.7
177.12810	4.1
179.08672	3.6
181.10468	4.1
181.12222	36.4
183.11760	8.0
185.09607	4.7
185.13287	7.2
187.11281	4.6
187.14764	3.6
193.10179	3.4
193.12393	5.1
195.11743	6.9
197.13290	11.3
199.11252	5.4
201.12791	5.6
203.10735	3.3
209.13292	6.6
211.11342	3.5
211.14870	4.0
213.12865	3.3
215.14436	3.2
221.13399	2.7
223.11322	3.1
223.14923	2.8
229.12320	2.9
235.14903	3.2
237.16531	4.0
239.17862	2.6
241.15906	4.3
255.13960	2.6
255.17357	4.0
259.17184	3.7
271.17026	6.1
283.17395	2.8
297.18399	3.2
301.18173	2.5
327.78891	2.7
367.22864	2.5
393.27856	11.8
395.26004	4.4
397.21017	2.5
409.27777	3.4
417.27954	6.1
435.28909	21.5
449.30515	8.7
467.31647	100.0
467.36911	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	467.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78076	4.0
52.20564	4.1
53.03936	4.0
55.05498	18.1
57.07080	11.5
59.05014	6.1
63.50005	3.8
65.03925	5.8
66.16093	4.3
67.05511	27.6
69.03438	30.5
69.07059	14.4
71.05003	13.1
71.08653	5.1
79.05493	28.6
81.07059	28.7
83.05003	21.4
83.08601	25.7
85.06567	10.1
87.04485	5.9
89.06040	5.3
91.05494	37.2
93.07049	31.8
95.04979	18.6
95.08612	17.7
97.06521	8.6
99.08101	4.8
105.07053	62.1
107.04932	5.6
107.08608	100.0
109.06531	94.0
109.10155	29.4
111.04459	5.2
111.08074	18.2
117.07019	16.6
119.08596	35.7
121.06508	8.5
121.10130	19.7
123.08066	17.3
123.11674	12.2
125.09642	69.6
128.06181	7.6
129.07002	8.4
130.07791	6.6
131.08577	23.8
133.08626	6.2
133.10101	15.6
135.08060	23.2
135.11742	6.2
137.09637	7.3
141.06984	8.0
142.07770	13.3
143.08574	30.8
145.06485	6.2
145.10144	54.8
147.08046	14.7
147.11707	7.3
149.09651	13.4
151.11205	7.6
153.06934	4.6
154.07845	4.9
155.08560	8.6
155.10754	5.7
156.09309	14.1
157.10162	37.3
159.08083	26.1
159.11697	11.9
161.09622	17.3
163.11182	8.6
165.06984	5.1
167.08632	7.4
167.10638	9.1
167.14365	11.5
168.09319	5.0
169.10204	17.2
169.12289	6.3
171.11694	26.4
172.08952	5.4
173.09628	13.0
173.13332	9.1
175.11211	17.2
179.08545	5.9
181.10086	10.6
182.10895	6.7
183.11732	9.4
185.09621	8.9
185.13286	7.0
187.11185	13.2
189.12680	5.3
193.10181	10.7
194.10925	7.3
195.11707	19.3
197.09561	4.3
197.13214	14.1
198.06601	4.7
199.11133	5.0
201.12817	7.6
205.12239	5.0
207.11824	9.6
209.13316	18.3
209.15393	20.8
211.14871	13.9
212.11874	7.0
213.12746	13.5
215.14366	8.0
221.13289	13.3
223.14848	7.8
225.12770	4.6
227.14417	7.3
235.14870	7.6
237.16464	7.8
241.15747	6.6
245.15425	7.5
253.15903	15.5
289.61536	4.4
295.16867	6.1
303.37054	5.0
311.19977	9.1
313.27390	9.2
377.24936	6.4
435.23233	4.4
435.28647	24.3
449.30637	5.3
467.31268	56.7
467.37936	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	467.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40050	3.4
55.01881	5.0
55.05521	23.5
57.07091	17.3
59.05014	17.3
65.03902	4.5
65.46682	3.1
67.05509	29.1
69.03431	27.9
69.07070	10.1
70.68485	6.7
70.68826	4.0
71.04994	8.3
71.08634	9.1
73.32298	3.0
75.04472	4.7
75.64135	2.9
79.05505	26.3
81.07057	25.7
83.04975	29.1
83.08637	16.4
85.06535	26.1
85.10182	4.4
87.04461	4.1
89.06045	8.6
91.05486	34.8
93.07059	42.1
95.04970	17.2
95.08616	24.8
97.06541	8.5
97.10177	4.5
98.98480	9.1
99.08103	5.3
103.65123	3.7
105.07040	48.3
107.08614	74.7
109.06518	75.2
109.10174	26.2
111.08096	13.4
115.05470	5.3
117.07031	14.3
119.08586	47.6
121.06529	7.7
121.10139	19.4
123.08101	9.6
123.11703	9.5
125.06026	11.3
125.09637	47.2
128.06239	8.0
129.07025	12.2
130.07837	6.7
131.08585	23.1
133.08586	5.0
133.10133	17.0
135.08051	17.8
135.11697	4.7
137.09631	8.0
141.06979	7.5
142.07782	9.6
143.08568	25.4
144.09351	6.6
145.10129	32.4
147.08069	10.7
147.11797	7.0
149.09669	8.2
151.07536	3.5
151.11227	14.8
153.12778	4.8
155.01096	4.0
155.08582	13.2
156.09323	6.3
157.10138	31.7
159.08063	17.1
159.11707	13.2
161.09618	17.9
161.13156	3.2
163.11186	30.6
165.07076	5.0
165.12830	5.5
167.08606	5.2
167.14363	4.7
168.09381	3.8
169.10126	19.8
169.12210	4.9
171.08080	5.2
171.11708	20.9
173.09627	10.5
173.11868	4.4
173.13303	8.4
175.11238	8.8
177.12721	6.9
179.08627	6.2
180.09415	7.9
181.10170	11.5
181.12186	27.0
182.11012	3.2
183.11708	12.4
185.09590	4.0
185.13260	5.8
187.11148	6.1
189.12715	5.5
191.14362	3.5
193.10150	7.4
193.12115	3.4
195.11688	16.5
197.09641	4.0
197.13290	11.6
198.10542	3.3
199.11176	6.6
205.12189	3.7
206.10979	3.8
207.11691	8.0
208.12605	3.6
209.13319	16.8
209.15385	13.1
210.10385	3.1
211.11430	5.0
211.14839	12.0
213.12857	6.5
215.14301	4.5
217.12396	3.6
220.12338	4.2
221.13327	10.0
221.15321	4.4
223.11351	6.1
223.14821	7.9
225.16319	5.1
227.14258	4.3
235.14835	8.4
237.12718	7.2
237.16481	6.1
241.15955	6.5
245.15379	6.5
251.14391	4.9
253.15862	13.4
267.17349	5.0
271.16995	6.9
275.18079	4.4
277.15842	4.0
283.17624	4.0
293.19040	5.0
295.16956	4.2
299.20081	6.1
311.19901	3.9
313.26736	4.8
377.24899	6.6
393.27731	9.6
395.26190	4.2
435.29044	28.1
449.30582	9.3
467.31693	100.0
467.37390	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	466.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
57.07079	38.5
69.07064	5.1
71.08633	33.8
71.11917	2.3
71.87463	1.1
73.06554	4.6
78.96742	1.1
83.08628	5.3
84.02655	1.0
85.10188	20.0
87.04468	2.7
89.06033	100.0
97.10153	5.4
99.11736	3.1
107.07063	1.8
109.10150	1.3
110.40011	1.2
111.11736	2.8
113.13226	1.2
117.09145	2.5
125.13282	1.4
130.08638	4.1
133.08607	50.5
141.16405	1.2
151.09708	5.4
155.17892	1.3
177.11229	13.6
195.12282	2.0
211.24187	1.7
221.13885	2.3
239.14909	31.9
239.17346	1.7
259.44537	1.1
269.66400	1.0
274.81256	1.1
299.29446	4.5
343.31946	1.4
449.38370	43.3
480.16956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05507	3.1
57.03441	8.2
57.07080	1.7
61.02919	3.6
61.62518	0.7
65.03944	0.8
66.63566	0.8
67.05507	22.1
69.03412	1.4
69.07066	7.9
70.05932	3.5
70.06590	2.5
71.04990	1.9
72.08150	1.2
73.02917	1.5
79.05494	11.8
81.03423	1.0
81.07063	33.2
83.04974	3.2
83.08614	6.1
84.08147	2.4
85.02910	4.0
85.06534	1.7
86.09702	1.8
91.03979	0.9
91.05473	6.9
93.06492	1.3
93.07050	19.3
95.04987	1.9
95.08604	9.2
97.02904	2.3
97.06537	5.5
99.04493	0.8
99.08094	1.4
104.10724	0.8
105.07032	2.4
107.08600	12.4
109.02921	1.0
109.06512	1.4
109.10137	1.8
111.08087	3.2
115.03886	0.9
116.56125	0.8
117.07031	2.3
118.17133	0.7
121.10126	8.3
123.11688	1.1
127.03925	1.8
129.10207	0.8
131.08557	3.2
133.10120	2.5
135.08025	0.9
135.11693	3.6
136.07527	0.9
137.13202	0.8
149.13271	15.1
151.11208	1.0
159.11716	6.7
177.12799	4.3
195.13829	5.7
269.17487	100.0
270.18060	1.0
304.05319	4.2
395.04248	0.8
431.22665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53005	0.4
55.05494	1.0
57.07077	5.6
58.06573	1.9
59.04954	0.4
61.02925	0.5
65.03918	1.7
67.05495	0.6
69.03425	0.6
69.07061	0.8
70.06597	13.5
71.08627	2.3
71.94461	0.4
72.08125	0.7
74.08134	0.4
79.05477	0.7
81.03403	0.6
81.07033	1.5
85.02890	0.8
85.10181	0.7
88.07636	17.1
91.03938	0.5
95.04971	0.5
97.02878	1.0
98.20784	1.5
102.09185	13.1
102.29407	0.4
103.01842	0.6
105.07008	0.6
118.13113	0.4
121.02792	0.5
123.08003	0.5
125.09579	0.4
132.99521	0.5
139.03836	0.7
143.66248	0.4
146.11751	0.5
147.08054	0.6
149.02353	47.6
149.03441	2.9
185.80602	0.4
191.00089	0.5
193.04970	50.1
194.05295	1.0
202.76448	0.4
212.23732	0.7
229.21738	0.5
237.07585	58.5
238.07928	0.7
256.26367	42.2
257.26678	0.5
300.28958	1.4
337.02539	0.6
367.12219	0.5
368.12076	0.6
385.13589	0.5
393.08792	1.2
466.31668	100.0
467.31839	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	466.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09700	1.0
53.03937	4.4
55.01871	6.3
55.05506	5.5
57.03444	5.5
61.02925	5.9
63.26222	0.8
65.23148	0.9
67.05505	12.3
68.99787	1.8
69.03432	33.0
69.07079	5.2
69.91168	0.8
70.06578	2.4
71.04984	6.0
71.37928	0.7
73.02912	5.7
79.05475	6.0
81.03423	21.0
81.07059	50.7
83.04965	1.9
83.08617	6.1
84.08157	1.2
85.02907	77.1
85.06511	2.5
86.03235	1.2
86.09701	3.4
87.00829	34.3
89.93539	0.8
91.03956	1.3
91.05489	9.2
93.07058	7.6
95.08610	10.4
95.72087	0.8
97.02303	1.3
97.02896	25.3
97.06510	1.5
99.04465	10.1
99.08065	1.1
103.03930	1.1
105.01868	40.7
105.07034	18.6
106.00633	0.9
107.08610	7.8
108.04482	1.4
109.02879	29.6
109.06508	2.4
109.10154	2.1
113.05988	1.7
115.03899	1.1
117.01859	2.3
119.08581	12.0
120.08093	2.7
121.08367	1.3
121.10152	20.8
123.08098	1.6
123.11708	100.0
127.03920	45.9
127.07548	1.5
129.01819	2.7
133.10126	0.9
135.66661	1.0
137.13281	4.8
145.04967	18.1
147.02934	1.7
147.11691	58.3
153.01785	0.9
159.02905	8.3
165.12758	85.6
183.13817	38.3
183.15079	0.6
189.04076	1.1
191.03465	1.6
201.14868	10.7
213.03975	5.9
231.04997	15.0
234.16779	1.6
249.06020	8.7
252.82195	0.8
255.15990	0.9
281.95285	0.9
303.04968	2.8
304.05350	7.7
431.19394	1.2
465.83383	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	465.3002
Annotation	Perovskone B
Peak:m/z	Relative Intensity
51.92678	0.9
53.03947	1.8
55.01867	1.1
55.05510	3.5
56.96569	0.9
57.03447	1.2
57.07066	2.2
57.73591	0.8
59.05001	3.1
61.02926	2.1
65.03963	1.0
65.55112	0.8
65.96947	0.9
67.05502	9.1
69.03434	2.4
69.07079	2.9
71.05001	2.2
71.52635	1.0
73.06577	1.2
79.05493	11.8
81.03425	1.4
81.07063	13.9
83.04992	2.8
83.08610	1.4
85.02909	1.9
85.06532	4.6
87.04478	1.9
91.03995	1.1
91.05483	14.2
93.07047	12.0
95.04981	5.4
95.08598	6.2
97.02899	1.7
97.06535	1.4
99.04508	0.9
105.07041	16.4
107.04964	1.4
107.08586	8.7
109.06517	17.0
109.10175	2.8
111.08089	23.1
115.25777	0.8
117.06980	4.1
119.08578	11.5
121.06509	4.9
121.10158	6.4
123.08082	7.5
123.11729	1.5
125.05994	1.3
125.09661	1.5
128.06259	2.1
129.06990	4.3
131.08563	9.3
133.06519	2.9
133.10132	9.5
135.08051	6.1
135.11713	1.4
137.09642	3.5
139.07549	1.9
141.07033	1.3
142.07806	4.7
143.08557	7.2
144.09361	2.0
145.06506	1.5
145.10132	7.8
146.07213	1.2
147.08064	6.5
147.11699	2.0
149.06036	1.1
149.09645	3.6
150.00412	0.9
151.07553	6.2
151.11188	1.3
153.07053	1.3
153.09102	23.5
154.07813	1.0
155.08534	4.8
156.09378	2.9
156.62735	0.8
157.10106	7.4
159.08096	2.8
159.11707	8.2
161.09625	6.1
163.11243	2.5
165.07057	1.7
165.09068	5.3
166.07825	1.9
167.08595	2.7
168.09277	2.4
169.10141	5.1
171.08095	1.5
171.11705	7.0
172.08916	2.4
173.09596	5.9
173.13295	2.8
174.10452	2.8
175.11249	2.9
177.09129	2.6
179.08582	1.6
179.10678	2.1
180.09344	2.0
181.08722	1.0
181.10066	4.5
182.11064	1.9
183.08163	1.5
183.11711	9.2
185.09663	1.9
185.13315	1.7
187.11220	3.8
188.12009	3.9
189.12691	5.9
191.10733	1.4
192.09215	1.0
193.10196	2.5
193.12273	1.6
194.10983	0.9
195.11758	6.0
195.13609	1.2
197.09726	1.7
197.13351	2.3
198.10432	1.5
199.11188	6.0
200.11911	1.3
201.12732	2.3
207.11847	2.0
207.13870	3.5
209.09621	1.1
209.13219	4.3
210.10446	1.0
211.11253	2.5
211.13190	1.8
211.15015	1.4
213.12762	5.2
214.13448	1.1
215.10738	1.1
215.14392	1.6
219.11819	1.6
221.15463	2.4
224.11969	1.2
225.12708	5.9
225.16440	1.4
227.14308	2.3
229.05046	1.1
229.12347	1.2
231.11726	1.1
231.13924	3.3
233.15472	1.5
235.14850	1.2
237.12830	1.8
239.14473	1.1
243.13792	1.1
245.13376	1.0
251.16263	6.0
253.15944	1.2
257.15430	10.6
261.16458	1.4
279.17487	1.4
285.18530	1.4
286.19345	1.5
287.20447	1.2
294.19962	1.0
297.18600	2.7
303.04971	15.1
312.20837	32.0
319.20660	0.9
433.27518	2.5
447.29318	1.6
465.30063	100.0
466.29843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97119	1.0
53.03947	0.9
53.17461	0.8
55.01876	6.6
55.05513	18.9
57.03442	8.5
57.07081	8.6
63.19498	0.8
66.91336	0.8
67.05499	7.9
69.07072	24.8
70.69301	2.5
70.73020	0.9
71.08633	4.9
73.02921	5.9
79.05506	5.4
81.07067	8.2
83.04955	1.1
83.08163	1.6
83.08621	21.1
83.09087	0.8
85.02853	1.1
85.10178	1.6
91.05475	3.2
93.07051	6.3
95.08597	4.9
97.06524	3.2
97.10170	12.7
98.98468	53.4
105.07014	3.7
107.08592	4.7
109.06485	1.4
109.10165	2.8
110.54466	0.8
111.08060	2.1
111.11715	3.1
116.99474	0.9
119.08577	2.4
121.10130	7.3
123.08073	1.1
123.11722	1.6
125.13255	0.9
129.05493	2.9
129.07027	1.0
131.08510	1.0
133.10133	1.3
135.08043	1.2
135.11731	3.9
136.99968	3.0
137.09627	2.0
137.13237	1.5
140.01112	0.9
143.08536	1.2
147.08060	3.1
149.09625	0.8
149.13235	2.3
151.07544	1.2
155.01039	50.1
156.84836	0.8
157.10095	1.3
159.11729	1.4
161.09650	0.9
161.13213	1.0
179.10640	1.6
181.10062	1.2
183.11676	1.7
202.54932	0.9
204.95631	0.8
209.13248	1.0
211.03632	2.3
219.21130	1.6
227.20067	2.0
229.04729	3.7
237.22101	8.9
237.29482	0.7
255.23230	1.1
286.19144	1.6
303.04965	3.1
311.25803	100.0
312.26038	1.7
433.27399	1.9
447.24997	21.5
465.30188	7.2
494.78732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67219	0.3
55.01882	0.4
69.75904	0.4
70.06591	2.4
70.43970	0.5
71.51968	0.6
72.08154	1.8
83.04900	0.4
84.04494	0.6
84.08140	1.3
85.02896	0.9
86.09703	0.9
101.74121	0.4
104.17193	0.4
106.62996	0.4
113.68600	0.4
119.04987	0.4
120.08062	0.7
126.05621	0.4
129.10255	0.6
136.07568	0.6
137.02342	0.8
144.08070	0.7
147.04358	0.8
153.01878	0.9
158.06044	0.5
158.97556	0.4
161.06023	0.4
163.03860	0.8
171.09959	1.1
181.04930	3.7
188.06973	0.4
229.04933	0.9
234.99068	0.9
257.04611	0.8
303.05026	18.6
321.06299	0.9
325.83655	0.5
327.54764	0.4
333.15207	17.0
363.07251	0.7
413.11108	0.5
465.19473	100.0
466.19830	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
61.02922	0.9
68.99790	0.7
69.38108	2.3
70.06583	0.8
71.04998	0.3
72.08150	0.7
73.02922	21.0
75.81700	0.3
81.03418	0.5
84.08112	0.3
85.02431	0.4
85.02912	3.5
86.09709	1.0
87.04501	1.3
91.03973	0.6
97.02906	0.5
99.04436	0.4
107.36807	0.2
109.02837	0.4
111.00806	1.0
113.03511	0.3
113.51368	0.3
117.05506	0.9
120.08121	0.7
121.02880	0.8
127.03931	0.7
137.02364	2.9
145.04974	0.5
149.02382	0.6
153.01820	3.4
163.03914	0.4
165.01833	1.9
166.02618	0.4
173.05937	0.4
183.02866	0.6
183.04332	0.4
184.07011	0.3
201.05521	1.3
219.06456	0.3
229.05003	3.8
247.06044	0.7
257.04453	2.5
262.38681	0.3
274.04657	0.6
285.03894	0.9
303.05008	100.0
304.05356	0.7
369.60822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03429	0.6
61.02930	6.2
68.99786	0.6
69.03428	1.1
70.76154	0.4
70.76501	0.6
73.02917	1.7
73.89714	0.3
77.03988	0.3
81.03429	0.5
85.02905	5.4
91.03962	3.5
91.42258	0.3
97.02903	3.2
97.27085	0.3
99.04412	0.5
109.02869	0.6
111.00784	0.6
121.02847	0.8
127.03896	0.9
137.02335	3.1
145.04961	0.8
149.02315	0.6
153.01851	3.2
163.03984	0.4
165.01871	1.7
173.05965	0.5
183.02911	0.7
201.05510	1.4
219.06610	0.4
229.04988	4.2
247.06000	0.6
257.04404	2.3
274.04654	0.6
285.03918	1.2
299.03156	0.3
303.04987	100.0
304.05051	0.3
315.05002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26106	0.3
55.05501	0.6
56.05029	0.3
57.03438	0.4
58.06612	0.6
60.08163	6.7
61.13776	0.3
67.05499	0.6
69.03410	0.4
70.06580	1.6
71.04986	0.3
71.07377	2.9
71.52483	0.5
79.05487	0.6
81.07052	0.9
83.05003	0.3
84.08131	1.0
85.02901	0.7
86.09708	28.2
86.81070	0.3
91.05478	1.1
93.07052	0.8
95.04973	0.5
95.08652	0.7
97.02911	0.5
98.98492	2.2
99.04423	0.3
100.58323	0.3
104.10737	2.9
105.07032	0.5
107.08585	0.7
108.15192	0.3
119.04921	0.3
119.08570	0.3
120.08099	0.6
121.10160	0.4
125.00005	18.9
127.03970	0.4
129.10222	0.9
133.10156	0.3
135.11761	0.3
139.71089	0.3
147.04413	1.3
150.23466	0.4
157.09985	0.4
158.08751	0.3
184.07346	100.0
303.04956	1.1
318.18066	0.5
355.15189	0.5
397.03241	0.4
446.22922	1.3
464.18100	0.3
464.24182	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	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.74206	1.3
54.18479	1.5
55.05512	14.5
57.06797	1.8
57.07078	35.1
67.05487	6.5
69.07072	25.2
69.36794	8.1
69.37229	4.3
71.08633	26.9
73.70871	1.4
79.05503	4.3
81.07059	18.5
83.08620	15.0
85.10185	15.4
90.10155	1.4
91.05516	2.1
93.07043	6.9
95.08615	16.3
97.06537	4.3
97.10184	11.3
99.04458	5.8
102.42657	1.5
105.07030	6.2
107.08596	6.1
109.06518	13.5
109.10152	9.5
111.08081	3.8
111.11722	5.8
115.54448	1.6
119.08586	3.8
119.99734	1.4
121.06493	1.8
121.10159	5.3
123.08075	11.4
123.11720	2.9
125.05981	14.7
127.07559	45.8
133.10110	3.0
135.08052	4.1
135.11732	1.7
137.05977	4.7
137.09619	4.4
139.07544	100.0
147.11699	2.6
149.05980	4.8
149.09624	3.7
151.07523	5.6
151.11089	1.9
153.09096	1.8
159.11723	3.3
161.09634	1.7
161.13297	3.2
163.07532	2.7
165.09140	2.8
167.07074	5.3
169.08604	2.0
175.11174	3.1
177.09117	18.3
195.10208	2.5
249.14865	1.7
278.87973	1.7
301.28738	3.5
319.29993	11.7
347.33127	17.3
373.31036	3.8
399.36331	3.8
417.37271	18.0
427.35648	1.6
445.36774	61.6
463.37823	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01860	2.3
55.05512	13.4
56.31865	2.1
57.07080	23.5
67.05495	7.0
69.07074	32.4
70.63293	3.1
70.63610	3.3
71.08637	13.2
79.05490	6.6
81.07054	19.7
83.04993	3.1
83.08632	19.3
85.06590	2.3
85.10206	10.9
91.05467	7.3
93.07038	11.7
95.04953	5.6
95.08604	14.4
97.10179	14.4
103.51137	2.2
105.07023	5.9
107.08599	7.2
109.06516	7.7
109.10172	8.5
111.08043	6.5
111.11707	8.6
119.08588	4.8
121.06496	5.3
121.10164	5.3
123.08031	4.0
123.11683	3.2
125.05981	5.9
125.13270	4.3
131.08574	3.9
133.10121	6.3
135.08066	4.8
137.05997	25.0
139.07545	34.9
145.10059	2.4
149.06007	4.1
149.09608	7.9
149.13255	2.3
151.07588	12.6
151.11244	2.6
155.07066	3.6
157.10155	2.7
159.11708	4.8
161.09595	4.3
165.05487	10.3
165.09114	9.7
167.07062	15.2
171.11664	4.0
175.07500	3.2
175.11192	5.7
177.09109	100.0
179.07114	9.9
181.08607	5.1
189.12804	2.3
193.08623	10.3
197.08099	3.0
203.10710	3.0
203.14424	3.4
209.13002	2.4
214.06693	2.0
217.12263	3.4
231.13863	3.1
277.21552	3.3
305.21191	2.8
307.29950	2.9
307.66409	2.1
361.26871	2.5
385.34650	4.6
389.30334	3.2
399.31534	2.7
399.36130	14.0
403.35757	15.5
417.37283	16.7
427.35822	16.3
445.36789	58.9
463.37851	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	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03929	1.2
55.05510	15.6
56.33866	1.1
57.07079	35.5
57.23375	1.2
57.72924	1.1
67.05515	7.5
69.07074	26.6
70.69843	2.8
70.70212	2.8
71.08633	24.7
74.87386	1.2
78.54874	1.2
79.05483	3.6
81.07057	18.5
83.04971	2.0
83.08626	16.9
85.10194	13.2
91.05480	3.8
93.07044	6.3
95.04945	2.1
95.08614	15.3
97.02873	1.7
97.06517	3.4
97.10177	9.3
99.04489	5.8
99.11724	1.5
105.07043	6.4
107.08597	5.0
109.06519	12.8
109.10162	7.9
111.08088	2.4
111.11723	5.5
119.08587	5.5
121.06512	2.4
121.10145	5.1
123.08075	12.7
123.11713	4.1
125.06001	19.4
125.09615	2.5
125.13272	1.7
127.07566	33.6
131.08557	2.2
133.10130	3.5
135.08069	2.4
135.11688	3.5
137.05992	9.4
137.09644	4.0
139.07549	100.0
145.10138	3.3
147.11699	2.9
149.05978	3.8
149.09634	3.3
149.13269	2.0
151.07538	7.0
151.11156	1.7
153.09062	2.2
157.10199	2.2
159.11763	1.3
161.09673	2.1
161.13220	2.6
163.07564	3.3
163.14839	1.6
165.09160	4.9
167.07045	5.5
172.47087	1.3
175.11145	1.6
175.14867	3.6
177.09122	14.8
179.10681	2.0
191.10667	1.3
193.12347	2.9
195.10249	1.6
203.14452	1.4
207.13705	1.5
221.15457	1.8
235.17053	1.7
243.20967	1.3
249.15013	2.2
249.18433	1.7
301.28903	3.2
319.30057	12.3
347.33133	13.3
373.31113	4.5
375.36200	1.6
385.34756	2.6
399.36261	5.1
403.35944	3.0
417.37387	17.8
419.33026	1.2
427.35843	4.4
435.06473	1.3
445.36813	78.8
463.37854	80.7
464.38309	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	463.1237
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
53.03944	1.6
55.05504	2.3
57.03429	4.9
57.38437	1.1
60.04529	1.5
66.59740	1.0
67.05490	2.0
69.03418	3.3
69.06727	1.1
69.07067	4.7
69.15450	1.1
69.20550	1.5
69.46941	1.1
70.06602	5.8
70.78085	3.3
71.04604	1.7
71.04996	27.6
72.08152	2.0
73.02923	2.0
75.04501	1.7
79.05472	2.7
81.03412	2.8
81.07055	3.2
83.04998	1.7
83.08611	2.1
84.08147	5.2
85.02908	29.8
86.09718	12.0
87.00814	1.6
87.04450	1.7
90.46358	1.2
91.05476	2.3
93.07053	2.3
95.08605	4.5
97.02905	2.3
99.04456	1.8
100.11275	1.6
103.05556	1.2
105.07026	4.9
106.07405	2.1
107.04971	2.8
107.08565	2.0
109.02879	2.4
109.06524	1.3
109.10149	2.5
110.07159	2.8
120.08104	9.5
121.02914	2.1
121.10121	1.8
127.03911	5.2
129.05493	4.6
129.10219	1.3
133.10124	6.2
134.10484	2.9
136.07573	3.5
137.05980	2.2
139.03917	1.5
139.79744	1.1
141.32658	1.2
145.04979	1.9
145.10074	1.9
147.06468	1.4
153.01845	5.0
163.11201	2.1
164.07062	1.4
166.08656	2.6
177.16295	1.6
183.07944	1.3
185.12946	2.1
220.42731	1.1
229.04959	1.9
245.04677	1.2
251.15013	1.7
257.04572	1.4
273.03830	1.4
274.04660	4.5
285.03946	4.1
286.04749	3.5
301.06940	8.2
301.09729	1.2
302.04340	11.2
317.06567	100.0
318.06689	1.8
364.23187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	41.7
57.07084	60.0
67.05499	36.4
69.07075	63.8
70.90562	25.8
71.04978	11.0
71.08628	49.8
79.05479	40.4
81.07067	99.1
83.08600	45.8
85.06544	12.3
85.10190	29.0
89.06031	47.6
91.05473	38.5
93.07047	46.6
95.08614	100.0
97.10163	60.2
99.44152	11.0
105.07034	69.6
107.08610	65.3
109.06509	15.3
109.10169	67.9
111.11707	25.0
119.08589	64.3
121.10181	58.2
123.11711	35.6
125.13250	10.9
127.07565	23.5
129.11160	12.4
131.08583	46.9
133.08652	23.1
133.10143	41.5
135.11690	28.7
137.73746	11.2
143.07010	29.9
143.08563	18.9
145.10129	57.6
147.11653	32.5
149.13223	22.9
155.07089	14.7
157.10170	15.6
159.11720	40.6
161.13306	26.7
163.14801	16.1
173.13213	15.6
175.14850	20.2
187.14772	21.9
189.16441	14.6
191.10648	13.9
205.12186	23.2
214.52924	11.9
223.50729	12.7
244.87199	11.8
273.18484	13.3
329.31989	24.9
405.45120	12.6
413.34424	56.4
431.35208	71.4
445.36612	28.4
463.37900	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38872	1.5
53.03951	11.3
53.06121	1.7
55.01859	4.9
55.05278	2.2
55.05516	28.3
56.22241	1.8
56.74334	1.7
57.03437	11.7
57.07086	2.0
59.04996	2.2
64.53838	1.9
65.03927	3.9
67.05507	79.0
69.07071	21.5
71.01347	2.1
71.04987	5.7
73.06570	1.8
75.04498	2.5
79.05498	95.5
81.03424	12.7
81.06597	3.1
81.07061	52.1
83.04990	20.8
83.08620	11.4
85.02893	2.2
85.06530	3.0
86.51652	1.6
91.04906	3.0
91.05486	60.4
93.07050	85.2
95.04980	22.9
95.08613	23.3
97.06533	13.4
97.10147	9.3
105.04495	3.7
105.07032	39.4
106.70853	1.7
107.04945	6.9
107.08610	38.9
109.06527	5.9
109.10159	8.7
111.08073	4.0
113.43024	1.7
115.05466	2.0
117.07040	11.6
119.08578	25.0
121.06495	5.2
121.10138	5.9
123.08058	4.7
125.09638	4.6
128.06221	2.8
129.07008	14.4
131.08546	4.9
133.10115	9.8
135.08054	3.5
135.11697	38.1
137.09688	3.0
141.09108	1.8
143.08574	7.5
145.10120	16.3
147.08047	4.0
147.11697	30.2
151.07671	1.9
155.08441	1.9
157.10101	2.1
161.09619	5.0
161.13278	8.1
163.11206	5.5
165.12817	1.9
171.11703	20.6
181.12259	9.0
183.82231	2.0
186.95163	1.6
189.12756	7.7
207.13811	29.3
225.14856	6.5
225.40160	1.8
237.14813	2.0
281.17380	2.0
351.23282	2.7
358.33978	1.8
368.71576	1.7
369.24173	2.8
387.25043	1.9
443.28058	6.0
461.29007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	4.9
53.03937	5.1
55.05511	42.1
57.06842	5.5
57.07080	73.1
59.04992	4.4
67.05494	18.3
69.07061	62.0
71.00789	9.4
71.04975	7.2
71.08637	62.9
75.15668	4.9
79.05483	15.7
81.07056	94.3
81.36154	4.4
83.04992	9.3
83.08623	38.5
85.10182	32.8
91.05458	15.6
93.07040	29.0
95.08611	78.0
97.10175	28.8
99.04447	14.8
103.27542	4.3
105.07025	15.1
107.08581	19.3
109.06509	19.2
109.10163	33.7
110.16014	4.6
111.04438	10.5
111.11708	19.7
117.07030	6.5
119.08580	19.0
121.10154	20.6
123.08055	7.9
123.11708	20.6
125.06005	12.5
125.13225	5.1
127.03922	27.6
129.07057	6.7
131.08586	12.9
133.06500	4.9
133.10098	7.6
135.08051	12.7
135.11743	7.3
137.05983	100.0
137.09621	6.1
137.13196	10.6
142.23322	4.1
143.08539	7.3
145.10135	25.2
147.11729	9.5
149.09622	7.9
149.13229	9.7
151.07523	34.8
151.14812	8.4
155.08531	4.9
157.10136	11.7
159.11694	43.2
161.09682	7.1
163.07449	6.1
163.11145	6.6
163.14854	7.5
165.16400	6.4
169.10120	10.7
171.11722	7.2
172.08855	15.6
173.09616	90.8
175.07541	4.5
175.11224	6.7
177.09085	15.9
187.11186	66.4
189.09117	7.6
191.10664	20.9
193.08592	10.4
201.12830	9.8
203.10753	4.9
205.12276	33.7
215.10612	9.7
215.14235	6.6
219.13844	11.8
229.12166	11.9
229.16011	4.9
271.42517	5.3
277.28860	11.6
317.31888	7.1
335.32996	11.7
383.33087	85.1
397.34631	29.3
401.34113	67.4
425.33981	19.1
443.35269	47.4
445.48022	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	461.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.2
54.17282	0.9
55.01877	13.8
55.05514	20.8
57.03438	10.4
57.07074	6.2
59.05005	4.6
61.02931	6.3
67.05515	9.3
68.99794	3.7
69.03436	58.8
69.07076	50.9
69.07401	1.3
69.35007	9.3
70.06594	6.6
71.05000	12.6
72.08170	2.7
73.02922	12.3
79.05505	6.4
81.03424	52.0
81.07066	25.7
83.04981	14.1
83.08627	9.4
84.04491	1.4
84.08152	5.6
85.02913	91.3
85.06563	18.1
86.06077	1.6
86.09715	5.9
87.00838	37.0
87.04468	2.3
91.03944	3.0
91.05491	3.6
93.07056	12.3
95.04976	1.9
95.08614	37.6
97.02904	31.7
97.06541	8.3
97.10184	13.5
98.20762	2.3
99.04467	19.3
99.08105	34.9
101.02364	1.2
103.03970	2.1
105.01877	24.3
105.07044	4.2
107.08598	22.1
109.02885	54.0
109.06564	2.1
109.10165	17.9
110.07195	2.0
111.08097	5.2
111.11716	9.5
113.09661	14.6
115.03967	2.7
117.01871	3.9
119.04926	1.7
119.08620	2.8
120.08083	3.1
121.10151	29.7
123.08057	1.8
123.11736	8.5
125.09636	10.1
127.03926	90.5
127.11197	2.8
129.01839	7.3
129.10219	1.7
129.12796	1.4
131.11719	1.2
133.10149	3.1
135.11710	16.3
137.13251	17.2
139.11188	8.3
145.04973	30.2
147.02876	6.7
149.09596	1.5
149.13293	4.7
151.07602	1.3
151.14828	6.9
153.11572	1.6
153.12767	24.5
157.12247	2.0
159.02905	28.2
159.04120	1.9
159.11682	1.6
161.09610	1.2
171.02844	1.3
175.14911	1.5
176.79889	1.2
177.04015	2.1
177.16400	77.5
188.23991	1.4
189.03999	2.1
195.17465	100.0
213.03981	3.4
213.18513	86.1
214.00243	1.2
227.14294	1.5
231.05016	22.7
249.06252	1.7
270.16061	1.4
323.57779	1.4
334.37906	1.4
407.20676	1.6
425.21774	3.2
461.23947	38.4
461.30481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84169	0.6
53.03933	1.9
55.01860	1.7
55.05515	6.8
57.03197	0.6
57.03441	6.5
59.04990	0.9
61.02927	0.9
62.83379	0.6
65.03925	1.3
67.05505	18.3
69.03416	1.0
69.07079	4.5
69.46043	1.6
69.46449	3.3
70.06576	0.9
71.05000	1.3
73.02913	0.7
79.05495	27.0
81.03405	2.9
81.07059	14.9
83.04984	7.7
83.08600	2.2
84.08142	0.9
85.02895	1.8
85.06544	0.8
86.09669	0.7
91.04915	0.9
91.05485	20.5
93.07047	22.6
93.07639	1.3
95.04967	8.3
95.08060	0.8
95.08614	9.6
97.02846	0.9
97.06513	2.3
97.10159	1.3
98.20722	1.2
98.97580	1.2
105.07036	16.1
107.04939	2.4
107.08592	5.6
109.06512	2.6
109.10147	2.2
110.07120	0.9
111.08094	1.0
115.05358	0.6
117.06977	3.0
119.04926	1.2
119.08576	9.3
121.06494	1.9
121.10139	2.4
123.08039	3.1
128.06187	0.9
129.07004	5.8
130.07790	0.8
131.08545	1.4
133.10117	4.1
135.08026	0.9
135.11653	0.9
135.19725	0.7
137.05948	2.0
143.08556	3.9
145.10139	4.6
147.08064	1.3
147.11691	13.2
151.07510	4.7
158.99606	0.8
159.11734	1.4
161.09648	1.3
161.13255	4.2
163.11125	1.2
171.11690	10.2
177.09093	1.2
189.12785	4.2
190.70407	0.7
203.21692	0.7
207.13832	8.1
219.01732	1.0
279.49420	0.7
281.17480	100.0
285.11218	0.7
297.10928	0.7
440.18774	5.5
440.69089	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01864	2.3
55.05519	7.9
57.03440	5.0
61.02920	1.2
65.03925	1.7
67.05505	21.0
69.03428	1.1
69.06790	0.6
69.07069	6.2
69.22305	4.4
69.22729	3.2
70.06590	1.5
71.05003	1.7
79.05497	32.7
81.03411	3.3
81.07063	18.7
83.04986	5.1
83.08632	4.0
84.08109	1.3
85.02878	2.5
85.06518	1.9
91.05481	25.8
93.07051	35.0
93.07642	1.7
95.04964	7.7
95.08604	10.9
97.06519	2.7
97.10162	1.1
98.20712	1.5
102.27369	0.7
103.05450	0.8
105.04472	1.0
105.07038	19.6
107.04939	2.4
107.08609	6.8
109.06537	3.8
109.10143	1.8
111.08107	1.1
117.07042	5.2
119.08584	11.2
121.06498	1.9
121.10136	2.9
123.08081	4.1
128.06227	1.0
129.07025	8.2
130.07843	1.5
131.08553	2.4
133.10133	4.2
135.05461	0.8
135.08000	0.9
135.11707	1.7
139.99623	0.8
140.54323	0.8
143.08569	4.6
145.10123	5.5
147.08078	1.9
147.11693	18.7
151.07574	6.4
156.09229	1.1
161.09622	2.8
161.13258	4.6
163.11247	1.7
167.07004	1.1
171.11699	14.8
173.13312	0.9
177.09088	2.9
189.12755	4.9
191.10661	5.8
205.12212	2.8
207.13795	13.2
281.17487	100.0
282.17862	1.7
299.09039	1.0
351.66705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
57.64829	0.8
66.85945	0.8
67.05496	1.9
67.69363	0.7
70.06597	3.1
71.52390	1.0
79.05489	1.9
81.03430	1.0
81.07073	2.0
83.04969	0.8
84.08151	2.4
85.02904	1.5
86.09695	2.1
91.05496	2.0
93.07053	3.8
95.05013	2.2
95.08543	1.0
97.06554	1.2
105.07033	3.5
107.04962	1.1
109.02907	1.1
109.10184	2.4
117.05624	0.8
117.07020	1.4
119.08627	1.7
121.10176	1.5
123.08110	1.0
136.83923	1.2
137.06030	1.0
141.05501	1.2
142.05727	1.1
147.11667	1.7
159.06635	1.1
181.04996	1.2
213.14667	11.0
241.14163	6.3
281.17505	4.3
317.06677	1.0
357.18939	3.5
375.19989	19.6
376.20566	0.8
417.15146	1.4
417.21008	61.7
461.20007	100.0
462.20377	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	461.1787
Annotation	Eruberin A
Peak:m/z	Relative Intensity
53.81553	0.7
55.01902	0.8
55.05510	0.9
55.20406	0.7
56.96566	2.8
67.05498	1.1
69.03450	1.7
69.07068	2.1
69.40806	0.8
69.83797	1.9
69.84209	1.8
70.06606	3.8
71.04992	0.9
72.08154	1.8
74.00670	0.8
76.03939	0.8
79.05492	0.8
81.03419	1.8
81.07055	1.9
84.04500	2.8
84.08138	3.2
84.96047	1.0
85.02910	4.4
85.06554	1.2
86.09702	3.0
91.05480	2.2
93.07058	1.1
95.04961	1.3
95.08634	2.0
97.02867	1.1
98.97585	8.7
103.03947	3.0
105.84636	0.7
107.08567	1.4
109.02891	1.8
109.10196	1.6
110.07166	0.9
110.97601	2.7
116.72026	0.8
116.98611	2.3
119.08588	1.3
121.06516	0.8
121.10122	1.4
127.03921	3.2
128.04291	1.3
128.98621	2.6
129.10240	1.2
130.04990	0.8
133.10110	1.2
135.11697	0.7
137.05940	1.7
145.04980	1.9
146.05478	0.7
158.99713	1.1
163.06064	1.0
170.99646	1.7
171.11743	0.9
177.00734	1.8
211.16888	1.7
212.17361	1.3
219.01886	1.9
237.02873	3.1
329.12802	2.2
341.12643	1.1
347.13788	4.0
374.64874	0.8
377.77396	0.7
422.87701	0.7
425.29587	0.7
461.17819	100.0
462.18265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01882	0.6
55.05516	0.9
56.05042	1.4
57.03453	0.5
58.06602	0.4
65.03945	3.5
66.26252	0.3
67.05504	2.0
67.85750	0.3
68.28278	0.3
69.03443	1.2
69.07069	0.5
70.06590	2.8
71.51847	0.5
72.08161	3.1
74.06084	1.7
75.45461	0.3
79.05498	0.5
81.03436	0.6
81.07072	0.4
82.04208	1.6
83.04993	0.4
84.04527	0.7
84.08149	3.8
85.02907	3.3
85.06579	0.3
86.09711	3.4
91.05498	1.3
92.02515	0.4
93.03423	1.2
93.07067	0.4
95.04963	0.7
95.17396	0.3
97.02892	0.6
97.06550	1.6
99.08126	0.4
102.05542	1.4
107.04986	0.4
108.02155	0.6
109.02886	0.4
110.03664	1.7
110.07177	0.5
111.04467	0.7
119.03562	5.6
119.06219	0.4
119.08567	0.3
120.06596	0.7
120.08096	1.4
123.04448	0.3
123.08073	0.3
125.05998	1.4
127.03939	0.8
129.10255	1.1
136.06197	51.8
137.04608	2.4
137.05946	0.5
138.03107	1.5
141.10233	0.4
142.02631	2.0
148.06287	0.4
153.05489	1.1
162.04126	58.3
171.06531	1.9
179.10776	0.4
181.04968	100.0
182.05299	1.0
201.08830	0.3
213.14914	0.5
213.18440	0.3
217.08414	0.7
235.09387	2.9
263.08878	4.3
281.10037	2.8
282.09702	0.5
287.05481	0.4
300.10797	10.9
461.14130	5.4
461.29965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95883	0.6
53.03945	2.5
55.01874	2.1
55.05513	0.9
56.05029	2.4
57.03439	4.9
57.06436	0.8
57.07074	13.5
60.04507	1.1
61.02935	7.7
63.04488	15.8
69.03431	18.1
69.61631	1.5
69.62036	3.0
70.06590	15.2
71.04990	2.2
71.06884	0.7
71.07372	0.6
72.08160	5.3
73.02921	3.0
74.06064	1.4
78.22071	0.7
81.03417	7.1
83.01359	1.5
84.04497	2.6
84.08136	9.8
85.02906	100.0
86.09706	11.4
87.04467	2.2
88.04000	1.6
91.03949	4.8
91.05466	1.8
97.02896	25.6
99.04473	4.9
102.05521	0.7
103.03944	0.9
109.02881	8.4
110.07172	1.4
115.03931	0.9
119.04964	1.3
119.10694	92.2
120.08108	3.3
127.03923	27.1
128.10695	0.9
129.10251	3.9
130.04987	0.8
136.07555	3.2
145.04962	46.5
147.04379	2.2
156.71832	0.7
163.04735	1.4
163.06012	17.8
165.05374	0.8
182.04976	3.6
182.08124	0.8
183.05151	2.9
185.05606	1.1
208.02908	4.8
209.03226	4.1
212.16444	0.7
230.07759	1.4
242.14973	0.9
281.15927	3.1
325.11169	2.9
327.08661	1.0
328.08878	3.8
329.14621	1.1
460.15320	1.0
461.19891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42718	0.5
52.76715	0.6
53.03946	1.1
55.01879	3.0
57.03439	7.4
58.36419	0.7
59.05001	28.7
60.81760	0.6
61.02934	4.8
64.99220	0.5
69.03436	12.1
70.06599	4.1
70.10101	2.4
71.01346	1.4
71.05005	0.8
72.08155	1.9
73.02920	25.6
73.06556	100.0
81.03426	1.7
82.26538	0.6
84.04524	1.7
84.08137	2.3
85.02905	25.5
86.09715	3.9
87.04465	1.1
91.03987	0.7
97.02898	22.0
97.03537	1.3
98.21445	0.7
99.04445	1.6
103.03959	1.1
109.02879	2.5
115.03928	8.5
117.09138	8.1
120.08047	0.8
127.03922	9.4
131.10683	10.6
133.04973	11.1
133.05978	1.1
134.04497	1.0
145.04961	9.3
147.04420	1.2
149.11732	95.4
163.06020	2.7
163.87408	0.6
168.96680	0.6
181.04909	1.4
223.05997	2.1
235.69958	0.7
241.06987	1.3
250.01700	1.1
259.08081	2.9
311.17062	0.9
341.79163	0.7
460.24197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70659	3.6
56.05021	4.6
61.02922	13.8
62.55638	3.9
69.03410	11.1
70.06593	42.5
70.15733	15.7
72.08150	5.8
73.02922	9.4
77.65626	4.1
79.05498	5.8
81.03409	9.3
81.07076	8.2
84.04491	5.1
84.08138	16.8
85.02906	37.6
86.09711	21.8
89.06047	6.0
91.03941	7.3
91.05487	100.0
92.05821	5.6
97.02903	17.8
99.04450	9.9
103.03927	20.8
104.97724	4.2
107.08576	3.8
108.25333	4.7
109.02865	7.8
109.10130	4.3
120.08132	12.3
121.06490	5.3
127.03925	25.6
129.10188	12.6
136.07616	6.6
145.04987	14.4
147.04424	9.4
163.06064	17.5
230.15636	4.2
266.15927	4.0
275.11484	4.8
287.05579	25.8
293.73041	4.4
298.10800	7.0
345.04483	12.8
374.96457	7.7
460.18256	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
53.77158	1.1
55.05502	1.5
69.03453	5.4
70.06596	7.4
71.05006	1.9
71.52068	1.1
72.08150	2.2
73.02915	2.8
81.03410	3.9
81.07074	1.8
84.04504	1.8
84.08129	5.1
85.02912	27.9
86.06082	1.6
86.09706	5.3
87.04434	1.2
88.02224	1.3
89.06039	6.6
91.03950	1.3
91.05482	14.2
92.79974	0.9
93.07037	1.7
95.04988	1.5
95.08617	2.2
97.02888	9.8
99.04466	12.4
103.03951	36.1
103.05437	1.5
104.06291	1.3
105.07034	1.4
109.02889	6.3
109.10145	1.4
110.07188	1.9
115.05489	1.0
116.05294	1.3
117.07033	8.8
119.08587	100.0
120.08124	1.9
120.08884	1.5
121.10184	1.5
125.09703	0.9
127.03924	39.4
129.06967	1.0
129.10246	1.6
130.85011	1.0
133.08560	2.0
136.07599	1.2
145.04971	28.3
145.10106	1.2
149.02344	1.3
149.84076	1.0
157.10104	1.0
161.20898	1.1
163.03967	1.4
163.06027	34.9
173.09586	1.7
173.13225	1.2
184.07393	1.1
185.09625	1.5
187.06113	1.0
200.12875	3.6
205.07220	1.4
213.08987	1.0
271.08142	3.5
273.18771	1.2
289.09241	4.9
298.20389	1.9
298.97531	1.1
307.10239	15.1
439.40158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55575	0.6
53.10445	0.6
55.05516	8.4
64.84789	0.7
69.03432	0.8
69.77467	3.4
72.08160	100.0
85.02909	1.9
87.62814	0.6
97.02890	0.8
98.20763	1.2
104.07116	0.8
118.08665	83.3
127.03936	1.9
145.05005	2.2
159.96382	0.9
192.20302	0.9
268.94568	1.0
294.81015	1.0
348.78598	1.3
432.04730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55575	0.6
53.10445	0.6
55.05516	8.4
64.84789	0.7
69.03432	0.8
69.77467	3.4
72.08160	100.0
85.02909	1.9
87.62814	0.6
97.02890	0.8
98.20763	1.2
104.07116	0.8
118.08665	83.3
127.03936	1.9
145.05005	2.2
159.96382	0.9
192.20302	0.9
268.94568	1.0
294.81015	1.0
348.78598	1.3
432.04730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55998	0.2
55.05512	3.9
56.05019	1.5
57.05824	0.8
57.83543	0.2
58.06612	0.2
60.14994	0.2
69.07071	6.8
70.06603	1.8
71.52123	0.3
72.08158	59.4
73.08494	0.3
73.37107	0.2
74.06101	0.2
83.04985	0.3
84.04506	17.5
84.08138	0.8
85.02899	0.8
86.09710	100.0
87.10059	0.5
91.05486	0.3
100.07618	0.6
102.05545	7.2
105.30362	0.2
110.07160	0.2
118.08660	12.1
119.04987	0.4
120.08111	0.2
127.03880	0.2
129.10274	0.5
130.49147	0.2
133.01860	0.2
136.07579	0.4
137.00423	0.2
137.09586	0.4
138.09157	1.8
140.14362	0.3
147.04425	1.1
155.11852	1.2
156.10239	0.3
157.17053	0.4
182.04980	0.6
183.11299	24.7
184.11623	0.2
185.16502	34.9
201.10535	0.4
201.12346	5.2
207.06403	0.2
208.02979	0.6
211.10811	2.2
213.15988	28.8
214.16454	0.3
225.45485	0.2
229.11844	60.5
230.12312	0.5
247.12904	19.4
248.13068	0.4
285.82672	0.2
314.20703	0.8
324.19174	0.4
327.05264	0.3
328.18719	0.4
342.20239	10.8
346.19720	3.0
356.17935	0.2
360.21039	0.2
413.27515	0.3
441.27170	0.4
459.05844	0.2
459.08469	0.2
459.14716	1.7
459.28018	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	459.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01871	1.1
55.05521	1.3
56.05038	0.9
57.03428	1.9
60.04531	1.3
60.42545	0.7
61.02920	3.2
64.35419	0.8
69.03430	12.3
69.07076	1.0
70.01859	0.7
70.06594	10.8
70.63609	2.0
71.04999	5.6
72.08154	3.9
73.02927	3.9
74.06068	1.5
81.03426	14.0
81.07066	1.4
83.04973	1.1
84.04521	4.1
84.08142	7.9
85.02909	62.9
86.09710	10.9
87.04461	1.5
91.03967	1.4
91.05480	1.1
95.04919	0.9
97.02895	35.4
98.09633	0.8
99.04459	40.7
101.07147	1.1
101.46912	0.7
103.03947	70.0
109.02884	19.9
109.10151	1.5
110.07159	1.1
115.03934	1.2
116.07133	1.0
119.08630	1.1
120.08087	2.5
127.03923	100.0
129.10248	3.2
132.10233	1.0
133.10100	2.5
137.09666	1.1
145.04965	65.6
163.06026	44.0
169.05022	1.2
174.13643	0.8
187.06044	5.8
191.14333	1.0
197.12924	0.9
199.06151	0.9
205.07097	1.7
217.07269	1.0
221.43065	0.8
253.07013	1.0
271.08151	12.4
289.09155	10.1
307.10168	6.6
321.81454	0.9
458.74576	1.1
459.17780	4.2
474.92535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01852	1.0
55.05514	6.8
56.07836	0.8
57.03422	1.8
57.07071	2.4
59.04991	1.8
61.02932	0.9
67.05183	1.1
67.05506	15.1
69.03434	9.4
69.07071	12.1
69.58975	1.1
69.59382	3.8
71.04977	3.3
73.02917	1.3
79.05482	3.2
80.87126	0.9
81.03433	4.1
81.07058	15.3
83.04991	7.5
83.08609	6.3
85.02909	10.7
85.06534	3.2
87.00845	4.3
91.05482	3.0
93.07038	8.4
95.04946	1.0
95.08612	29.8
97.02862	3.1
97.06538	1.3
97.10151	2.5
99.04425	2.2
99.08082	4.6
105.01862	2.6
105.07027	5.5
107.07888	1.2
107.08598	22.6
109.02877	3.4
109.06524	9.1
109.10159	94.0
111.08072	3.4
111.92332	0.7
113.09612	1.5
119.08583	41.9
121.10148	11.3
122.89711	0.8
123.08070	11.4
123.11705	6.6
125.09635	1.3
127.03929	8.0
133.10138	18.7
135.11694	100.0
137.08669	1.3
137.09624	15.6
138.10414	0.8
139.11194	1.6
145.04933	2.7
147.11687	1.3
149.13251	6.5
151.11168	7.9
151.14828	8.4
153.12753	2.8
158.25470	0.8
159.02982	1.7
165.16364	3.5
175.14836	46.8
193.15887	73.3
194.16237	1.0
211.16936	80.0
212.17041	0.9
219.66353	0.8
244.64664	0.8
352.49463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.01859	1.8
55.05518	2.1
56.05028	2.1
57.03430	1.9
60.04530	1.6
61.02930	2.6
67.05480	2.2
69.03426	14.2
69.07077	1.8
70.06596	34.8
70.21070	1.4
71.04980	4.9
71.06915	2.2
71.51784	1.8
72.08147	8.6
73.02924	3.4
81.03413	14.8
81.07048	2.2
83.04970	1.6
84.04485	5.1
84.08143	22.4
85.02906	68.2
86.09707	23.6
87.04470	2.0
87.10062	1.6
88.03990	2.4
91.05476	4.8
95.08588	3.1
97.02305	2.9
97.02897	34.3
98.09686	1.9
99.04457	41.7
103.03944	81.4
109.02884	17.2
110.07150	5.3
111.04411	2.3
112.08754	1.8
116.07082	2.6
119.04930	4.8
120.08089	7.4
120.59444	1.5
123.08077	2.2
127.03922	100.0
129.10239	11.9
130.61633	1.6
135.09102	2.1
136.07547	5.0
145.04956	66.3
147.04399	5.7
149.09653	2.7
152.10689	1.5
153.10167	2.4
163.04742	2.6
163.06024	47.4
181.35626	1.6
187.06003	3.9
197.12787	1.6
201.12306	2.1
205.07059	2.6
207.13728	1.9
213.15973	1.9
222.09673	1.7
242.88469	1.7
271.08136	13.5
289.09055	11.2
307.10324	7.8
412.01743	1.6
459.12543	3.0
459.18085	6.0
459.23773	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54543	0.5
53.03936	1.0
53.05981	0.5
53.85704	0.4
55.01866	0.6
55.05499	1.8
57.07060	0.5
61.02973	0.7
67.05514	2.4
69.03437	5.3
69.07068	1.1
70.97723	0.4
71.25275	1.3
79.05495	4.3
81.03420	1.3
81.07072	4.9
83.04977	1.5
85.02903	1.9
87.00841	0.9
91.05489	4.5
93.07069	2.8
95.04989	0.8
95.08605	1.0
97.02904	1.6
105.01856	1.0
105.07036	5.0
107.04955	2.7
107.08603	15.4
109.02892	1.3
109.06509	2.9
109.10175	4.2
112.49819	0.5
115.05461	0.9
117.07024	0.9
119.08598	2.8
121.06505	1.4
121.10154	10.1
122.06508	0.7
122.07272	3.4
123.08029	1.1
127.03922	2.3
131.08568	2.3
133.10138	100.0
134.09465	0.6
134.10464	0.8
135.08052	7.0
135.11714	1.3
137.09628	49.5
138.09962	0.6
145.10107	1.0
147.11690	1.7
149.09641	1.2
149.13271	9.6
155.02654	0.6
158.10977	1.3
163.14847	2.4
167.71843	0.6
173.13277	5.9
191.14320	55.2
209.15395	4.1
213.03954	0.7
231.05046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05495	3.1
56.05037	2.3
57.03439	2.2
58.07565	2.0
61.02919	2.6
65.20242	1.9
69.03425	5.0
70.02969	10.3
70.06604	10.6
71.04982	2.1
72.08138	4.3
74.02439	3.1
79.55077	1.8
81.03407	4.6
84.04504	3.4
84.08151	5.5
85.02909	20.3
86.09697	16.3
87.00841	2.1
87.14393	1.8
88.03999	54.7
91.05475	2.8
93.80887	2.0
94.06570	60.5
97.02887	5.5
98.02448	2.7
99.00826	4.0
101.11610	2.5
104.03480	18.7
104.05022	2.6
109.02875	3.4
109.10155	4.5
110.07189	5.1
112.19908	2.0
118.06544	4.3
120.04472	8.1
120.08096	3.2
124.07583	2.9
127.03915	3.5
127.11165	3.0
129.10281	3.1
130.05023	6.0
130.06516	2.9
132.04466	4.4
136.07550	5.6
144.08058	3.2
146.06017	100.0
147.04420	6.6
150.05472	5.1
156.02931	5.4
158.04549	4.8
158.06004	6.8
163.13301	3.0
165.06577	2.7
170.05963	8.1
174.03984	18.4
174.05504	57.5
174.07056	2.9
184.02454	2.0
186.05513	3.8
188.07094	6.0
190.04857	2.4
190.12244	2.9
192.06598	10.5
196.07428	2.1
198.05486	2.3
202.03473	35.2
216.06499	3.8
232.13306	13.8
233.09166	4.7
235.10863	2.0
245.11082	2.5
248.12767	2.3
252.06691	3.3
260.12796	22.6
270.07602	7.0
277.08215	19.2
295.09244	48.7
295.16489	16.2
300.08707	2.8
324.15491	2.8
378.62564	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91997	0.4
53.03945	1.3
55.01861	1.5
55.05509	1.4
57.03421	1.4
57.07067	1.2
61.02916	0.7
67.05501	2.1
68.99796	0.6
69.03432	21.0
69.07071	7.8
70.06603	3.7
70.41618	1.4
71.04983	0.8
72.08158	0.7
73.02910	1.1
78.54485	0.6
79.05490	1.4
81.03426	5.1
81.07056	2.8
83.04996	2.6
83.08614	0.8
84.04493	0.5
84.08132	1.8
85.02907	9.1
85.06549	1.2
86.09708	1.1
87.00842	4.8
91.05484	5.4
93.07039	8.7
95.04950	1.1
95.08613	5.2
95.77992	0.6
97.02892	3.6
97.06558	1.3
99.04444	2.0
103.95814	0.6
105.01867	2.8
105.07020	3.2
107.08604	11.5
109.02887	3.2
109.06502	2.7
109.10157	2.5
109.72950	0.5
110.07191	0.9
111.08074	1.8
116.76350	0.5
117.01826	0.8
117.07016	1.0
119.08588	3.5
119.48849	0.5
121.06514	8.3
121.10152	9.6
123.08067	2.3
123.11690	2.9
125.09629	8.3
127.03929	5.3
129.10268	1.2
131.08557	4.3
133.10141	4.4
135.08066	9.6
135.11678	3.9
137.05881	0.5
137.09605	1.1
143.08525	1.6
145.04944	1.7
145.10123	2.1
147.08073	0.5
147.11696	19.9
149.09621	5.9
149.13264	6.2
151.11165	1.0
153.09120	3.3
158.10904	2.0
159.02968	0.7
161.09575	2.4
161.96051	0.7
163.11197	1.7
163.14835	3.2
165.12727	1.3
173.13271	12.5
176.11961	1.3
191.14311	100.0
192.14691	1.0
209.15375	46.0
219.22011	0.6
248.56113	0.5
275.20309	0.5
361.94104	0.6
457.23401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01868	8.7
55.05516	3.0
56.05032	7.4
56.36164	0.9
57.03440	22.9
57.07077	20.0
59.04996	2.6
60.04507	2.0
61.02927	16.6
67.05500	1.9
67.26399	0.9
67.34698	0.9
68.05036	1.3
69.03433	37.0
69.07070	2.5
70.02952	2.4
70.06595	64.8
71.01373	5.5
71.04986	1.8
71.06930	3.1
71.52032	1.2
72.04530	1.6
72.08150	7.5
73.02920	100.0
74.06075	3.1
74.23441	0.9
79.05452	1.3
80.05000	1.1
81.03403	3.9
81.03834	1.0
81.07069	2.2
82.06602	2.3
83.04978	1.5
83.08580	2.0
83.70621	1.0
84.03745	1.0
84.04508	10.9
84.08143	37.3
85.02908	83.8
85.08466	2.1
86.06078	1.7
86.09714	4.1
87.04471	5.8
88.03987	5.7
91.03973	4.4
91.05465	4.6
93.07059	2.3
95.04946	1.1
95.08598	1.2
96.04504	2.2
97.02892	61.8
98.09725	1.3
99.04453	3.5
99.11746	6.0
100.11251	2.1
101.10799	1.5
102.05532	4.3
103.03930	3.5
105.07015	1.5
107.04927	2.3
107.08569	1.6
109.02892	7.7
109.10151	1.9
110.07183	6.2
110.09745	1.5
111.04435	1.4
115.03928	44.1
116.10738	2.2
119.04975	2.3
120.08087	1.9
121.06473	1.0
121.10107	1.2
123.08189	1.2
124.05224	1.0
126.05520	1.2
127.03931	30.4
127.11189	4.3
128.10785	1.1
129.10248	14.6
129.38283	1.0
130.05002	3.3
133.04968	45.6
133.10098	1.0
136.07590	8.0
137.05930	2.1
141.05548	1.1
144.06583	5.8
145.04962	42.5
145.09975	1.5
145.12239	5.9
150.07625	5.5
155.11731	1.0
156.06558	2.4
162.07637	3.2
163.06021	12.2
169.13356	1.7
171.15700	1.0
173.26164	0.9
180.08704	4.1
181.06126	2.6
181.09859	1.8
182.15492	1.1
193.04929	2.2
195.05162	0.9
199.05829	1.1
217.08362	2.7
223.06001	6.2
227.10484	1.5
241.07127	7.5
241.14487	2.4
245.07626	1.0
259.08115	8.8
259.15359	6.6
271.15353	1.3
274.36588	1.1
276.10913	1.7
277.09094	2.1
289.16531	5.9
294.11771	2.4
294.68689	0.9
295.10251	2.2
307.17371	1.3
312.12946	1.4
342.22623	2.6
348.70200	1.1
438.20322	1.8
456.36093	1.8
457.20087	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	455.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98275	0.5
64.26273	0.5
69.58789	3.4
70.06603	3.7
77.40403	0.5
78.85363	0.5
78.95638	1.6
84.08147	10.7
86.06073	0.9
94.93046	1.2
96.92796	0.7
98.20734	0.7
98.23314	0.6
98.37917	0.5
100.14205	0.6
110.07178	0.8
111.47636	0.6
112.89621	23.5
123.91142	0.6
127.12344	3.1
133.40894	0.5
143.01851	1.0
155.01900	1.2
161.02965	0.9
170.94415	0.9
173.02994	1.6
184.95859	0.6
185.02911	0.8
212.95392	1.0
214.84164	1.2
221.05139	0.6
245.05180	1.4
245.11267	1.4
257.56061	0.6
274.95343	1.0
285.28323	0.7
292.48947	0.6
319.09894	1.2
326.38919	0.6
335.09528	0.8
343.14383	0.6
347.97083	0.6
356.76990	0.9
378.33102	0.6
412.51624	0.6
455.11688	100.0
456.11752	1.7
467.15939	0.6
472.69336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.0
55.05498	3.5
56.05050	6.7
57.03440	20.5
57.06829	1.6
57.07079	17.8
59.05000	2.5
61.02649	1.4
61.02930	17.6
67.05508	1.8
69.03434	37.1
69.07036	1.6
69.80405	2.9
69.80798	2.3
70.06596	62.1
71.01337	4.8
71.04987	2.7
71.06911	2.6
72.04482	1.3
72.08170	6.6
73.02921	100.0
74.06086	2.1
79.05485	2.6
81.03414	8.2
81.07047	2.6
82.06596	1.9
83.04973	1.7
84.04509	10.7
84.08148	32.9
85.02911	86.3
85.06525	2.0
85.08447	2.4
86.06065	2.4
86.09698	5.4
86.17612	1.0
87.04474	5.3
88.03983	6.3
91.03942	4.9
91.05476	4.6
93.07019	2.5
95.04959	1.6
95.08607	1.8
96.04469	1.4
97.02894	64.5
99.04455	4.3
99.11730	4.4
100.11278	2.6
102.05547	3.3
103.03932	4.5
107.04935	1.1
107.08586	1.1
108.04451	1.0
109.02901	6.7
109.06519	1.3
110.07188	6.1
110.09679	1.6
111.04453	1.3
111.09213	1.2
112.08752	1.5
115.03937	43.2
116.10742	2.4
119.04970	1.6
119.08578	2.0
120.08116	1.7
120.08840	1.1
121.10149	2.0
126.05489	1.1
127.03932	30.5
127.11198	5.1
127.12076	1.1
129.10225	12.0
130.04991	4.2
131.04953	1.2
133.04971	49.4
133.10120	1.3
136.07593	5.6
137.05972	2.7
141.10234	1.1
144.06558	3.3
145.04970	41.4
145.10143	1.8
145.12251	6.1
147.11433	1.3
149.09653	1.2
150.07610	5.2
155.11838	1.3
156.06494	2.1
162.07610	2.6
163.06030	13.9
171.11276	1.4
180.08688	5.1
181.06128	2.3
181.09995	1.6
186.11273	1.7
193.04971	2.2
212.16420	1.1
217.08240	1.9
223.06029	6.5
227.10394	2.4
241.07062	7.1
241.14417	2.5
243.34238	1.3
245.07726	1.9
246.44931	1.1
259.08136	6.8
259.15396	5.3
262.10364	1.2
271.15298	1.6
276.10651	1.2
277.09335	2.6
289.16415	5.5
294.11829	3.4
295.10147	3.3
303.69162	1.2
307.17770	1.1
312.12646	1.3
342.22629	3.7
404.46957	1.4
456.36188	1.8
457.20563	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	454.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
57.07079	34.3
69.07068	1.8
69.25166	1.5
69.25568	4.9
71.08636	22.5
73.06562	5.4
81.56963	0.7
83.08624	2.3
85.10191	19.3
87.04462	1.9
89.06035	100.0
97.10175	2.8
99.11746	3.9
107.07044	1.0
113.13245	1.1
117.09157	1.8
130.08652	2.1
133.08611	45.7
155.17906	3.7
177.11230	19.4
177.12708	1.4
195.12286	2.7
199.20490	3.6
221.13885	2.9
239.14996	1.9
240.68488	0.7
243.23212	11.4
247.22530	0.6
265.16486	1.2
283.17529	20.9
287.25812	4.9
349.29474	1.1
393.32242	2.0
437.34756	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	455.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98275	0.5
64.26273	0.5
69.58789	3.4
70.06603	3.7
77.40403	0.5
78.85363	0.5
78.95638	1.6
84.08147	10.7
86.06073	0.9
94.93046	1.2
96.92796	0.7
98.20734	0.7
98.23314	0.6
98.37917	0.5
100.14205	0.6
110.07178	0.8
111.47636	0.6
112.89621	23.5
123.91142	0.6
127.12344	3.1
133.40894	0.5
143.01851	1.0
155.01900	1.2
161.02965	0.9
170.94415	0.9
173.02994	1.6
184.95859	0.6
185.02911	0.8
212.95392	1.0
214.84164	1.2
221.05139	0.6
245.05180	1.4
245.11267	1.4
257.56061	0.6
274.95343	1.0
285.28323	0.7
292.48947	0.6
319.09894	1.2
326.38919	0.6
335.09528	0.8
343.14383	0.6
347.97083	0.6
356.76990	0.9
378.33102	0.6
412.51624	0.6
455.11688	100.0
456.11752	1.7
467.15939	0.6
472.69336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89829	0.4
69.91592	0.3
71.42597	0.7
78.95622	1.1
92.76485	0.3
94.93026	7.6
96.38240	0.4
96.92250	0.9
96.92831	0.6
98.91934	0.5
112.89618	100.0
114.89350	37.0
116.89124	2.2
140.84428	0.4
158.48563	0.3
172.85258	0.5
172.92287	0.6
186.82886	1.2
188.82683	2.1
188.89642	7.9
190.82355	0.7
190.89471	1.2
192.72919	0.4
196.87897	0.5
199.23344	0.4
204.44231	0.4
204.87051	6.9
206.86879	1.3
207.01401	0.4
212.85379	1.8
231.93796	0.5
244.78691	3.3
246.78461	8.9
246.80878	0.7
246.85622	0.4
247.91498	0.6
248.78140	3.0
260.76129	0.5
262.75842	3.2
262.82983	0.9
264.75726	1.1
264.82953	0.4
298.84692	0.4
306.87375	0.4
313.63574	0.4
320.52820	0.5
320.71674	1.7
320.78986	0.6
322.71640	1.7
322.78473	0.8
332.30939	0.4
455.11676	47.8
456.11868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05516	3.7
57.03159	0.4
57.03442	7.5
57.07080	25.0
62.06092	0.7
67.05503	5.9
69.07074	4.9
69.27287	0.6
69.27688	2.9
71.04981	0.7
71.08244	0.8
71.08637	16.9
75.04494	0.6
79.05473	0.7
81.07062	7.1
83.08625	5.9
85.06541	0.4
85.10186	10.0
89.06028	1.7
93.07040	0.8
95.05000	0.4
95.08613	10.7
97.10182	2.9
98.20760	0.7
103.07584	1.3
109.10165	5.1
111.11731	0.4
121.10159	0.5
123.11712	1.7
124.01593	0.5
137.13261	0.7
159.08170	0.4
181.06503	1.2
225.09250	0.9
239.23697	1.5
256.26355	0.7
257.24826	1.3
282.27875	2.6
298.19040	0.4
313.27374	100.0
314.27805	1.5
454.33838	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	454.2931
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05510	2.4
57.03448	3.0
57.07082	18.4
57.07847	0.4
62.06096	26.7
67.05515	3.5
69.07073	3.7
71.08638	15.8
73.30216	0.4
74.97221	0.4
81.07054	4.9
83.08627	3.9
85.10191	7.4
89.06028	0.7
93.07082	0.5
95.08610	7.4
97.10178	1.3
98.21587	0.7
98.98466	5.3
103.07592	0.7
109.10165	3.2
123.11699	1.5
124.01595	1.1
137.13263	0.6
142.02650	1.0
155.01059	5.8
162.69171	0.5
173.02097	0.8
198.05347	1.5
216.06360	3.4
239.23676	1.4
250.85614	0.5
257.24683	0.6
282.27927	9.8
292.79718	0.4
313.27383	100.0
314.27695	1.0
393.24023	7.3
436.28259	4.4
454.29001	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01868	1.9
55.05492	2.0
57.03428	4.0
60.04515	5.2
60.74932	1.4
61.02937	6.8
69.03440	7.9
69.07072	15.2
70.06582	5.0
70.49723	1.3
71.02525	2.8
71.02848	1.9
71.08637	12.8
72.08134	2.8
73.02924	35.7
81.03404	5.3
84.04488	5.0
84.08154	8.8
85.02907	37.4
85.08499	1.6
85.66716	1.4
86.02406	2.0
86.09683	4.8
87.04484	1.8
91.05453	4.4
97.02908	21.8
97.06522	2.7
99.04446	2.5
100.11338	1.4
103.03930	2.1
105.07008	1.9
109.02885	8.2
110.07164	3.4
114.09165	13.6
114.94863	1.2
115.03954	2.8
119.04970	6.2
120.08118	8.6
123.04479	2.0
126.05488	1.4
127.03943	12.0
129.10213	5.4
136.07568	7.0
138.09142	2.7
142.08643	100.0
144.08092	23.8
145.04971	7.1
145.05914	1.4
147.04401	13.4
149.07433	1.7
156.10213	2.5
161.10754	4.2
163.03941	2.6
178.29372	1.3
181.04890	2.0
184.09705	58.5
187.14420	1.5
192.63885	1.1
208.09663	14.0
220.09746	1.6
237.00754	1.9
238.10663	1.7
250.10719	6.9
268.11908	2.6
286.12778	5.6
291.13043	2.1
304.13913	93.0
323.09085	3.9
367.11584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05517	2.0
56.05041	0.9
56.47549	0.4
57.03427	1.6
58.19921	0.4
61.02916	1.8
65.03927	0.6
67.05498	1.7
69.03148	0.4
69.03434	5.3
69.07050	1.3
69.68514	1.9
70.06599	5.1
71.05013	2.5
72.05297	0.5
72.08156	1.0
73.02916	0.8
81.03415	1.9
81.07058	1.3
83.04939	0.5
83.08618	1.0
84.04517	1.2
84.08159	3.4
85.02908	9.0
86.09690	1.3
87.03386	0.6
87.04478	0.7
91.05485	1.0
94.06544	0.5
95.04956	0.8
95.08585	1.0
96.08170	0.5
97.02894	3.1
98.06054	0.5
99.04467	1.3
100.07641	0.5
100.11267	4.6
103.03925	1.1
103.05471	0.6
107.08602	0.6
108.04531	0.4
109.02879	1.4
110.06055	0.8
110.07175	1.0
111.04474	1.1
111.09224	0.4
112.07589	0.5
120.08123	1.3
122.06019	1.3
124.07606	2.6
127.03954	1.6
128.07143	0.6
129.10275	0.9
131.08563	0.4
134.05962	0.5
136.03925	1.3
136.07568	1.2
137.02327	1.0
138.05476	0.6
138.09146	4.5
139.11761	0.4
140.07065	3.7
144.08089	0.5
145.04915	1.6
146.06059	0.5
150.05530	0.8
152.07077	1.4
154.05005	4.9
154.08603	2.6
157.08881	0.5
160.07614	0.6
168.06602	1.1
172.11180	0.7
174.09137	0.7
176.10693	0.7
178.04947	1.2
182.15430	1.4
185.08386	0.5
186.09283	0.6
188.07103	0.5
188.10776	1.0
196.05989	0.8
199.12299	0.5
200.07077	0.6
200.10757	2.6
203.11809	1.1
204.10330	0.5
209.16483	2.0
210.14893	2.2
212.09460	0.9
213.07916	1.1
213.10068	0.7
214.07310	0.4
215.08118	0.7
215.11830	1.1
216.10210	1.3
217.09460	0.5
217.13376	1.3
218.11760	1.4
221.12828	0.9
226.07240	0.6
227.08295	2.3
227.11864	2.2
228.10236	11.7
229.08525	0.5
229.10979	0.7
231.07642	0.5
231.11359	1.2
232.11992	0.6
241.09709	1.4
242.10555	2.4
243.11333	5.5
244.09854	0.7
244.12065	2.0
245.12852	6.0
246.11293	4.9
255.11285	3.7
256.09714	0.9
260.11603	0.6
261.12506	1.0
263.13925	0.9
273.12338	9.9
274.10779	4.5
288.05878	1.0
289.05981	1.7
290.06250	1.0
291.13406	100.0
292.13730	1.0
303.04999	0.7
304.05182	0.8
305.05600	2.2
306.05887	1.7
307.06076	1.9
360.90686	0.5
435.33347	1.4
452.84888	0.4
453.18414	5.4
453.34375	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	452.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.4
56.05019	11.9
57.03435	11.4
57.07069	8.0
63.50433	9.4
64.70162	9.2
67.05505	23.3
69.03434	19.0
70.06594	100.0
71.05000	50.2
71.52217	12.5
72.08150	22.4
78.07476	7.9
78.65766	10.1
79.05489	11.8
81.03423	21.8
81.07038	16.3
83.08621	10.3
84.04510	16.7
84.08150	61.9
85.02910	68.1
86.09702	41.0
91.05483	15.4
93.07012	8.6
95.08592	18.5
97.06532	12.5
97.63577	8.3
99.04504	10.8
103.03962	21.6
105.07022	10.5
107.08590	12.1
109.02895	13.0
110.07177	12.2
120.08135	17.9
123.11712	21.4
127.03923	38.2
129.10226	19.8
129.71225	9.3
133.10103	9.0
136.07640	13.7
137.06021	13.3
145.04968	19.4
147.04425	12.0
163.06064	12.1
169.12157	10.1
184.07375	22.3
205.45018	8.5
255.15555	15.1
291.12268	9.8
361.02188	36.5
407.29083	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	452.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11910	0.5
55.01851	0.7
55.05508	1.2
56.05023	1.8
57.03421	1.5
58.06591	1.1
60.08165	17.9
67.05510	3.1
68.04981	0.4
69.03431	1.0
69.07046	1.4
70.06594	3.5
70.36143	1.1
70.36530	1.0
71.04979	0.4
71.07372	4.5
71.52824	0.4
72.08141	1.3
75.72052	0.4
79.05484	1.5
81.07048	4.4
83.04996	0.6
83.08611	1.6
84.04493	0.6
84.08144	2.6
85.02895	1.4
85.06516	0.5
86.09708	47.7
87.04465	0.8
88.03977	0.6
91.05461	1.3
93.07050	3.1
95.04936	0.6
95.08588	1.4
97.02891	1.5
97.06521	1.2
97.10168	0.6
98.98456	2.6
100.11246	0.8
104.10747	100.0
105.07004	0.8
107.08591	2.0
109.06505	0.6
109.10159	1.1
109.23517	0.4
115.03909	0.8
119.04932	0.8
119.08601	0.7
120.08071	0.5
121.10145	1.3
123.08099	0.5
125.00008	26.5
127.03951	0.9
129.10271	1.1
131.08537	0.7
133.04962	1.1
133.10109	0.8
145.41551	0.6
147.04402	1.7
149.13229	0.5
151.14870	0.5
163.01541	0.7
169.15884	1.8
184.07346	80.9
187.16954	0.8
204.10300	0.7
210.14845	0.7
269.17508	0.8
305.14755	0.5
434.17404	0.9
434.22961	6.9
452.24103	36.7
453.24808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	0.5
54.79681	0.4
55.01870	0.6
55.05515	0.9
56.01415	0.3
56.05043	1.3
58.02966	0.7
60.04526	1.2
62.06089	2.6
62.99084	0.5
67.04238	0.3
67.05506	1.1
68.05047	0.4
69.03439	0.4
69.07076	4.8
69.25217	3.3
70.02957	3.5
70.06599	5.7
71.06080	0.3
72.04517	0.7
72.08156	1.2
73.07684	1.6
74.00669	1.3
74.02418	0.4
74.06093	0.6
76.04014	4.3
79.05515	0.4
80.05023	0.5
81.03422	0.5
81.07054	1.2
83.06072	0.4
84.04511	18.9
84.08154	2.4
85.02925	0.9
85.04061	0.3
86.02422	1.0
86.09700	1.8
87.02702	0.9
88.04012	3.7
90.00187	0.4
91.05464	0.6
92.01750	0.5
98.06066	0.6
99.05585	74.5
102.05553	0.4
103.59330	0.5
107.06084	5.0
107.08567	0.8
108.04502	2.0
109.02901	0.4
109.10169	0.8
109.98947	0.3
110.07211	0.5
111.11720	0.8
112.03999	0.8
116.03446	0.6
120.08124	1.2
125.07113	0.8
127.04066	0.7
127.05050	13.8
129.10275	1.1
130.05016	12.0
133.10146	0.4
135.05544	2.0
136.03949	3.5
136.07513	0.5
145.06093	100.0
147.04434	0.5
153.06598	13.8
154.05009	0.9
159.08325	0.6
161.09941	1.0
165.12695	0.4
169.12280	0.4
171.07709	0.4
177.03307	0.4
181.06110	6.9
184.11641	0.4
197.05719	0.4
199.07152	13.3
202.12674	0.5
203.10915	0.7
210.08728	0.5
211.07204	2.0
212.11089	0.7
212.16354	0.4
217.08197	1.0
220.13667	5.1
228.19604	1.0
230.12068	0.5
236.16489	1.0
239.06639	0.5
248.13222	0.9
248.54207	0.4
254.17506	2.3
256.09317	7.7
257.07712	0.6
272.18576	1.8
274.10342	19.5
288.12698	1.0
290.19736	3.4
305.15323	0.7
320.04794	0.5
323.16339	10.9
337.31259	0.3
380.41965	0.4
434.19324	1.0
452.20984	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	452.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76483	0.4
54.03477	0.5
55.01873	1.0
55.05514	1.6
56.05031	2.5
57.03448	0.6
58.02962	1.1
60.04524	1.1
67.05509	1.2
68.05031	0.4
69.03456	2.4
69.07069	6.5
69.18784	4.3
70.02957	3.2
70.06596	9.8
71.04997	1.7
72.04514	0.5
72.08163	2.8
73.07693	1.6
74.00673	1.3
74.02474	0.7
74.06066	0.6
74.18665	0.4
76.04002	3.5
79.02722	0.4
79.32983	0.4
80.05026	0.6
81.03418	1.9
81.07087	0.5
82.03739	0.4
83.05004	0.4
83.06112	0.6
83.08632	0.5
84.04508	22.9
84.08141	5.2
85.02911	2.3
85.06506	0.5
85.08440	0.4
86.02450	1.3
86.09702	2.9
87.02697	1.3
88.03990	3.0
90.00130	0.7
91.05465	1.0
92.01707	0.5
93.07057	0.8
95.08604	0.8
97.02892	0.6
97.10218	0.6
98.06081	0.5
98.09697	0.5
98.20632	0.4
99.05583	72.5
102.05542	1.2
102.54261	0.6
103.03917	0.7
107.06089	6.0
107.08588	0.5
108.04485	3.1
109.02912	1.1
109.10165	1.3
110.07154	1.3
111.11729	1.2
112.03983	0.5
118.06549	0.5
119.04941	0.7
120.08106	1.9
125.09635	0.5
126.05447	0.6
127.03959	1.9
127.05033	11.3
127.05750	0.4
128.00806	0.5
129.06671	0.6
129.10223	2.1
130.05014	13.1
135.05571	3.1
136.03966	3.6
136.07561	0.9
145.06090	100.0
146.01810	1.9
146.07990	0.6
147.04427	2.6
153.06589	17.0
154.05003	1.7
155.08163	0.6
159.08368	0.7
161.09818	0.5
163.03873	0.7
167.49550	0.4
169.12206	0.6
173.07138	1.2
174.07526	1.0
177.03287	0.8
177.09369	0.7
181.06094	11.4
191.08165	10.1
192.08524	8.1
193.06169	1.2
199.07143	15.2
203.10931	0.9
204.10243	0.5
210.08727	0.6
211.07118	2.4
212.11058	0.8
220.11740	0.8
220.13675	7.8
239.06633	1.5
239.11742	0.5
241.09784	0.7
243.11253	0.8
248.13181	1.7
254.98019	1.6
255.11389	0.5
256.09305	12.3
274.10342	16.9
288.12805	1.0
290.19568	1.6
296.40213	0.4
305.15176	1.2
306.50400	0.5
307.12952	3.3
308.13257	7.3
315.13242	0.5
323.16367	12.9
325.13748	0.8
326.14185	1.8
338.57883	0.5
434.19507	0.7
436.79269	0.5
452.20547	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	451.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	15.3
59.04979	4.7
61.16244	3.5
64.47034	3.9
67.05187	3.9
67.05510	40.6
69.03418	8.7
69.07048	10.9
71.05006	6.5
71.51884	5.9
72.36357	3.6
75.17619	3.1
79.05500	16.1
81.07066	39.6
83.04967	9.7
83.08595	11.1
84.61609	3.0
85.02892	3.8
85.06526	11.6
91.05490	28.5
93.07047	36.7
95.04993	21.1
95.08598	30.8
97.06535	7.8
98.09702	6.3
103.05453	3.2
105.07036	46.1
106.54263	3.0
107.04984	3.8
107.08613	27.4
109.05797	5.6
109.06516	62.7
109.09482	5.6
109.10162	69.9
111.08099	6.1
115.05463	6.9
117.06993	13.0
119.08588	43.9
121.06487	7.0
121.10156	38.5
123.04462	3.5
123.08107	16.3
123.11685	4.4
125.05982	9.1
127.07536	6.9
128.06245	6.6
129.06982	11.8
130.07790	5.3
131.08565	17.9
133.06462	4.0
133.10126	26.7
135.08049	17.1
135.11678	4.7
137.05931	4.7
137.09615	17.5
139.11174	7.1
141.06976	9.3
142.07791	17.2
143.08588	29.1
145.10126	31.2
147.04375	6.0
147.08022	13.7
147.11700	7.7
149.09628	12.6
151.07539	10.7
153.06982	7.6
154.07730	4.8
155.08574	22.1
156.09413	7.4
157.06479	3.6
157.10156	38.5
159.08023	7.2
159.11639	11.4
161.09598	16.3
163.11232	8.1
165.06940	10.0
165.09120	4.8
167.08536	13.3
168.09338	7.7
169.10197	22.3
170.10797	4.5
171.08069	7.8
171.11700	19.9
171.97391	3.1
173.09583	11.7
173.13258	6.3
175.11130	5.2
177.12727	5.2
179.08565	13.7
179.10643	5.7
180.09355	9.4
181.10110	19.4
181.12183	7.7
182.10913	11.6
183.11725	32.3
185.09595	7.3
185.13226	10.0
187.11232	5.9
189.12758	12.2
191.10632	3.2
192.09245	4.3
193.10097	10.4
193.12405	2.9
194.10889	7.7
195.11720	45.8
197.09744	5.9
197.11665	6.1
197.13280	37.4
199.11156	13.2
201.12727	12.9
206.10924	4.5
207.11670	16.8
207.13814	9.6
207.25197	3.5
208.12479	5.5
209.13268	14.2
210.10468	4.8
211.11154	9.7
211.14783	7.9
213.12698	9.7
215.14261	7.3
217.10106	5.2
217.12222	4.2
218.10980	5.5
219.11673	6.5
221.13281	12.0
221.15327	5.1
223.11314	6.9
223.14833	9.5
225.12840	16.1
225.23077	3.0
227.14377	9.9
231.11545	3.8
231.48792	3.4
233.13293	21.0
235.14839	8.1
237.12691	7.0
237.16466	4.9
239.14316	9.8
243.13824	5.4
247.14854	6.6
249.16362	4.8
251.14272	15.7
251.18266	3.4
253.15897	7.5
255.17467	15.2
265.16022	4.3
267.17365	8.1
277.15942	6.0
289.19485	7.5
297.18710	5.5
307.20386	6.9
309.18335	3.3
312.20798	10.3
325.21506	15.4
373.24930	3.8
375.23413	3.6
377.21127	3.4
432.59964	3.3
433.27274	31.0
451.28494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2846
Annotation	Usambarine
Peak:m/z	Relative Intensity
52.37626	0.9
53.03931	1.1
55.01870	1.3
55.05521	4.3
57.03418	1.5
57.07070	2.3
59.04997	1.8
61.02961	1.0
67.05505	6.9
69.03436	3.8
69.07067	3.4
69.49806	6.2
70.06602	2.3
71.05008	1.2
79.05497	8.0
81.03427	1.5
81.07064	14.3
83.04977	2.9
83.08640	2.3
84.08157	1.1
85.02926	1.2
85.06545	3.7
91.05491	9.6
93.06499	1.0
93.07054	14.7
95.04977	8.5
95.08601	6.9
97.06526	3.4
97.10158	1.0
98.09723	0.9
99.04448	1.8
105.07034	17.6
107.04971	1.7
107.08608	10.0
109.06516	11.2
109.10146	6.5
111.04444	1.0
111.08092	1.5
111.95560	0.8
115.05447	1.2
117.07045	5.3
119.08596	12.9
120.09381	0.9
121.06530	4.6
121.10148	8.1
122.07331	0.8
123.08077	8.3
125.06024	1.6
125.09657	1.6
128.06242	1.4
129.07034	3.7
131.08560	8.2
133.06500	2.0
133.10120	9.0
135.08051	7.8
135.11725	1.8
137.05978	1.8
137.09654	2.8
139.07552	2.6
141.06963	1.0
142.07817	3.2
143.08557	8.3
144.09364	1.6
145.06531	1.1
145.10130	12.0
147.08086	7.1
147.11708	2.7
149.09621	4.6
151.07585	7.1
155.08575	4.3
156.09354	2.5
157.10114	10.0
159.08101	3.3
159.11678	7.0
161.09560	4.2
161.13246	2.1
163.11169	4.9
165.07010	1.2
165.09106	8.1
167.08620	1.7
168.09357	1.4
169.10124	6.3
170.10869	1.6
171.11751	6.4
173.09598	3.0
173.13243	4.2
175.11227	4.1
175.14716	1.3
177.09103	1.8
178.09976	1.3
179.08589	1.6
180.09387	1.8
181.10164	4.0
181.12273	1.5
182.10924	1.9
183.11725	8.8
185.09686	3.0
185.13246	2.9
187.11205	2.9
189.11264	1.3
189.12817	3.0
190.13588	1.8
191.10709	1.5
193.10216	1.7
193.12311	2.6
194.10974	1.3
195.11722	3.9
195.13640	1.4
196.12538	1.9
197.09692	1.1
197.13248	5.7
199.11243	4.1
200.12039	1.1
201.12852	1.9
203.14388	4.2
207.11766	2.9
207.13893	3.8
209.13290	3.6
210.10440	0.9
211.14827	1.6
213.12816	3.3
215.14320	1.3
219.11821	1.1
219.13875	1.1
220.12436	1.1
221.13361	1.6
221.15344	11.0
223.14870	1.5
225.12729	5.9
225.16399	2.2
227.10805	1.1
227.14453	1.3
229.12227	2.3
233.15427	1.4
234.16245	3.1
235.14903	1.5
237.12762	1.1
239.14357	1.6
243.13879	2.3
249.16458	1.0
253.15948	1.2
259.14835	1.1
261.16275	1.0
265.16049	2.1
267.17627	1.4
271.16965	2.2
283.16989	1.1
285.18530	3.3
286.19333	3.6
287.20139	1.1
298.19302	2.6
299.20056	1.5
311.20212	1.4
313.21692	1.9
321.18536	1.4
329.20929	1.2
359.22183	7.9
378.25601	1.7
408.26834	1.1
433.27014	2.2
451.28452	100.0
452.28802	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54587	0.5
51.53899	0.5
55.05500	2.2
56.05042	1.4
57.03421	0.9
60.64806	0.5
61.67355	0.5
67.05511	1.5
69.03424	1.3
69.07074	0.8
70.06593	6.7
71.05010	2.7
71.06923	0.6
71.52150	0.7
72.08172	4.2
79.05501	0.9
81.03413	1.5
81.07076	1.4
81.10524	0.5
83.04978	0.6
84.04487	0.9
84.08152	4.8
85.02924	4.7
86.06076	0.8
86.09737	2.9
86.10191	0.7
89.44124	0.6
91.05473	2.0
95.08597	0.8
97.02861	0.9
97.06542	0.9
98.09700	9.5
98.97581	0.9
99.04472	1.7
99.09995	1.0
100.11274	1.4
103.03938	1.3
105.07043	1.8
107.04978	0.6
107.08601	0.7
109.02886	1.4
109.10149	0.9
110.07176	1.1
111.04443	1.3
115.08745	0.6
117.06972	0.7
119.04904	1.0
119.08557	0.7
120.08118	7.7
123.96101	0.6
127.03938	3.0
128.07130	1.0
129.10263	2.3
131.08629	0.7
137.05960	1.2
140.14346	3.9
141.14665	0.9
145.04953	1.8
146.06026	1.3
147.04469	2.8
148.04840	1.1
148.07547	0.9
154.12291	0.8
155.44025	0.5
159.09120	0.5
163.03976	0.7
163.06012	0.6
164.07060	3.6
182.15471	1.8
185.04160	0.6
188.07129	2.1
191.08206	0.6
205.09766	2.1
210.14941	1.8
219.14948	1.7
247.14308	0.7
251.24736	0.5
271.14456	1.0
287.05444	2.7
288.05798	3.5
289.06097	6.5
289.15497	8.0
291.90085	0.6
307.11499	2.4
337.21289	1.1
354.24057	2.1
367.12405	0.6
377.72092	2.5
378.21964	0.7
389.15744	5.8
391.13727	3.1
408.28314	1.0
450.75232	5.7
451.15805	100.0
451.24570	3.4
452.16245	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01881	1.3
55.05497	1.2
57.03439	8.5
61.02931	12.5
67.05480	4.0
69.03436	13.2
69.07039	1.2
69.23005	1.0
70.06580	4.3
70.75604	2.3
70.75963	1.0
71.01348	3.6
71.04993	2.6
72.04508	1.1
72.08146	2.0
72.83440	1.0
73.02923	61.4
73.48919	0.9
74.57722	0.9
74.78146	1.0
79.05477	2.1
81.03411	6.8
81.07040	4.1
84.04504	3.4
84.08124	2.0
85.02911	87.3
86.09694	2.1
87.04478	1.4
91.03954	1.5
95.04958	4.0
96.04486	1.6
97.02896	37.5
97.03528	1.8
97.06529	1.3
98.09690	5.5
99.04438	2.9
103.03918	4.6
104.22178	1.0
108.08120	6.6
109.02883	12.3
110.07145	1.5
112.07568	1.3
115.03941	7.6
119.05041	1.1
120.08122	1.5
122.06001	4.2
125.06004	4.4
126.05519	5.3
126.09152	3.5
127.03926	25.1
129.10239	1.3
130.05017	1.3
132.06523	1.2
133.04948	2.8
136.07600	13.8
140.07076	78.3
140.14372	1.6
145.04967	36.7
147.04427	3.4
150.07622	3.5
150.09137	3.5
152.07066	11.6
154.08591	4.7
163.06015	20.6
164.07069	18.2
167.03320	1.1
178.08655	15.8
181.05008	5.1
182.08139	100.0
183.05348	1.5
202.08472	1.4
206.08142	51.3
218.08136	6.7
236.09177	5.4
248.09172	14.1
266.10162	5.7
284.11368	12.6
302.12372	49.4
313.22586	1.0
377.72186	2.2
450.74878	3.2
451.25287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.05510	6.2
56.05029	10.4
58.20693	4.3
61.02913	4.0
63.31256	3.5
65.03917	4.4
67.05496	14.3
69.03419	9.3
69.07063	9.0
70.06210	5.7
70.06595	100.0
71.04980	6.3
71.06898	4.4
72.08160	16.3
73.02895	7.8
74.06080	6.9
74.07308	4.6
79.05492	20.7
81.07051	28.9
83.04978	9.7
84.04497	9.8
84.08152	43.9
85.02907	16.8
85.06538	7.4
86.09702	39.4
87.69080	4.0
88.03994	6.5
90.29102	4.9
91.05472	18.3
93.07040	39.5
95.04998	5.8
95.08603	15.0
97.02880	4.8
97.06522	14.6
98.09682	9.4
98.97563	4.0
99.04443	11.4
102.05538	5.2
104.10736	9.6
104.11916	4.2
105.07041	21.3
107.04963	5.1
107.08569	19.6
109.06505	15.2
109.10170	6.9
110.07166	10.4
111.08062	5.2
113.05977	5.5
119.04939	7.6
119.08563	15.4
120.08111	14.4
121.06527	28.9
121.10122	8.8
123.08015	4.4
123.11689	4.6
125.05972	5.6
126.47455	4.2
127.03889	11.0
127.07529	5.1
129.10248	22.1
131.08604	5.8
133.10117	8.0
135.08052	14.9
137.05986	5.5
139.07552	9.3
143.08614	4.4
145.10124	4.9
147.04401	25.9
147.11722	34.0
157.08693	3.9
157.10121	12.1
165.12769	15.1
168.95009	4.6
171.11609	16.1
175.11194	17.9
184.07359	25.2
189.12715	13.2
193.12259	9.9
199.11183	15.1
207.13873	18.9
211.13260	6.0
217.08069	4.7
217.12210	58.0
229.14468	5.3
235.13271	95.3
253.14389	81.3
271.15317	5.4
287.05508	11.5
288.05841	31.0
303.04974	4.6
304.05374	8.6
306.05798	7.4
450.24063	5.6
450.29419	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	450.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.6
55.05502	2.7
56.05031	7.0
62.89439	1.6
67.05510	2.4
68.05054	1.5
69.07060	2.2
69.35475	7.0
69.35899	5.5
70.02953	4.1
70.06596	58.3
71.06913	2.3
71.08632	2.6
72.08170	8.3
74.00668	17.1
74.06063	3.6
76.03669	1.4
76.04008	16.7
79.03532	1.4
79.05492	2.0
80.05003	1.7
83.06087	1.8
84.04506	48.7
84.08144	18.6
85.02880	4.4
85.04022	10.5
86.02428	3.4
86.06082	1.7
86.09716	11.8
88.03991	5.5
91.05480	3.1
92.01707	20.7
95.05012	1.9
97.02934	1.5
97.89308	1.5
98.09682	5.0
99.05580	85.7
99.08080	3.2
99.83689	1.6
102.05534	2.9
107.06110	8.4
108.04450	3.2
109.10171	2.6
110.07146	3.6
112.03954	9.0
112.08698	1.9
113.03461	2.4
120.08092	4.3
123.08129	2.0
127.04110	2.3
127.05013	10.3
127.08675	2.2
127.11205	2.7
129.10222	7.4
130.05002	76.6
131.04521	9.8
135.05530	3.2
136.03922	5.5
144.36678	1.4
145.06085	78.4
147.04436	7.0
147.11548	1.6
149.03792	4.7
153.06584	21.7
155.08116	2.2
157.06116	1.5
159.08382	4.6
160.00613	5.0
173.05623	1.5
173.79315	1.7
175.07838	3.0
177.03293	100.0
178.01743	12.1
181.06079	12.1
185.03786	5.9
185.73146	1.5
195.04355	47.4
199.07138	22.6
211.07111	3.1
212.00484	1.6
217.08058	1.6
218.55482	1.6
228.10535	3.0
229.15372	3.7
231.04343	4.8
245.57826	1.4
256.09293	9.2
274.10333	22.5
285.12650	5.4
287.05396	2.0
288.06342	16.4
289.04831	2.4
303.04962	3.2
303.13690	3.5
304.05405	2.2
306.04517	1.3
306.07516	34.2
324.08643	3.6
450.24802	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	450.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71225	1.0
55.01867	7.0
55.05488	1.6
56.05048	7.4
57.03434	4.2
58.02974	1.4
62.71569	1.0
67.05487	4.2
68.05029	1.2
69.07050	1.5
70.02939	3.5
70.06596	47.4
71.04980	5.2
71.06902	1.9
71.08633	3.1
71.51948	1.4
72.05303	1.8
72.08179	5.4
73.07669	3.0
74.00670	13.4
74.06077	2.7
76.04001	18.3
81.03453	1.8
81.07041	2.4
82.06614	1.0
83.06111	2.2
84.04506	55.6
84.07697	1.8
84.08145	18.9
85.02914	11.1
85.04033	10.5
86.02422	2.9
86.09724	5.4
88.03996	6.9
91.05493	3.8
92.01700	20.8
93.07053	2.1
95.08604	1.5
97.02868	2.5
97.10187	1.2
98.09682	5.0
99.05581	96.0
99.08091	3.9
102.05562	2.7
107.06084	11.5
107.08619	1.5
108.04456	4.9
109.10167	2.4
110.07156	4.8
112.03976	11.6
113.03461	3.5
115.08664	2.0
116.41878	1.2
119.04951	2.2
119.08549	1.2
120.08109	2.8
123.08107	1.2
125.09618	1.2
126.03704	2.2
126.05510	1.4
127.04036	2.3
127.05038	16.6
127.08701	1.7
127.11153	1.9
129.06569	2.5
129.10231	9.3
130.05006	87.9
131.04506	10.8
135.05547	5.4
136.03931	4.8
136.07582	2.5
139.03270	1.8
140.01668	2.2
144.04744	1.6
145.06085	96.5
147.04414	8.0
149.03767	6.2
149.09694	1.4
153.06583	31.4
154.05008	2.4
155.08138	1.7
159.08490	5.7
160.00638	3.4
175.07893	4.8
177.03297	100.0
178.01685	15.0
181.06079	19.1
181.09639	1.4
182.10059	1.3
185.03853	5.0
186.02242	1.1
193.06421	1.7
195.04359	49.8
199.07138	31.3
200.11038	2.6
202.42853	1.1
203.04868	1.6
210.08766	1.6
211.07147	2.7
213.03313	2.0
217.08321	1.2
218.12112	3.9
231.04350	4.9
239.06592	1.8
256.09323	15.9
260.09708	1.1
274.07327	1.9
274.10330	27.0
285.12680	6.5
287.05518	1.6
288.06351	14.8
303.04950	6.6
303.13803	8.0
304.05344	21.2
306.07565	39.8
321.14914	5.4
324.08649	7.7
330.82834	1.2
340.92303	1.5
390.87213	1.5
448.90704	1.2
450.19495	9.0
450.23621	1.7
450.25241	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	449.2687
Annotation	16alpha,17alpha-Dihydroxyprogesterone acetophenide
Peak:m/z	Relative Intensity
53.03934	0.9
55.01867	0.7
55.05511	3.1
57.06835	0.5
57.07079	6.7
59.04995	1.2
63.94932	0.4
65.03926	1.9
67.05508	5.8
69.03431	2.6
69.07066	2.4
69.95195	0.8
69.95606	1.9
70.06589	1.6
71.04977	1.1
74.98419	0.5
75.04462	0.7
77.03918	0.5
79.05069	0.6
79.05494	6.6
81.03407	1.5
81.07063	8.6
83.04982	10.3
83.08614	1.1
85.02921	0.6
85.06530	2.5
91.05481	9.7
91.94932	0.4
93.07050	7.6
95.04974	5.2
95.08609	4.7
97.06518	2.8
97.10188	0.7
98.20786	0.6
98.98450	1.4
103.05477	0.6
105.04563	0.6
105.07034	13.3
107.04951	1.7
107.08601	6.6
109.06522	6.7
109.10165	2.6
111.08083	1.6
115.05448	0.9
116.06222	0.5
117.07004	4.5
119.04929	0.9
119.08584	12.0
121.05766	0.6
121.06519	6.3
121.10147	4.7
122.07300	0.7
123.08076	5.5
123.11733	0.6
125.05995	2.0
128.06224	2.0
129.07034	3.8
129.10310	0.6
130.07797	1.3
131.08568	7.1
133.06516	2.9
133.10153	5.3
135.08060	6.4
135.11656	2.2
137.05983	9.5
137.09628	2.5
137.98857	0.5
139.07542	1.7
141.07005	2.3
142.07762	4.1
143.08568	8.0
144.09344	1.7
144.46219	0.4
145.06468	1.6
145.10114	9.0
146.07303	0.5
147.08040	5.4
147.11702	2.7
149.09637	3.5
149.13167	0.7
151.01543	1.0
151.07552	7.1
152.43449	0.4
153.06972	1.3
155.08583	3.7
156.09378	3.6
157.10127	8.3
158.07285	0.6
158.10825	1.2
159.08052	7.0
159.11716	5.4
161.09641	4.7
161.13277	0.9
163.01514	0.5
163.07574	1.6
163.11163	1.5
165.07002	1.7
165.09129	4.9
166.07822	0.7
167.07071	0.6
167.08554	2.1
167.10674	0.6
168.09325	1.2
169.10136	3.8
170.10878	1.2
171.08047	1.6
171.11681	5.9
172.08827	1.3
172.12460	0.5
173.09641	3.5
173.13203	2.4
175.01553	1.2
175.07588	1.0
175.11162	2.6
177.09106	2.2
177.12737	0.6
179.08568	1.8
180.09297	1.1
181.10129	3.7
181.12225	0.9
182.10936	1.1
183.08057	1.8
183.11690	5.8
184.08832	0.5
185.09607	3.4
185.13228	1.6
187.11189	3.0
187.14767	0.7
189.12752	2.8
191.10704	0.6
191.14355	0.7
192.09319	1.0
193.10146	2.0
193.12086	0.7
194.10918	1.3
195.11684	4.0
195.13658	0.9
196.08820	0.8
196.12450	0.9
197.09634	2.2
197.13284	2.7
198.10410	1.6
198.14069	0.8
199.11179	3.6
199.14865	1.5
200.11960	0.6
201.12755	1.8
203.14326	2.3
205.12326	0.6
206.10966	0.7
207.11687	2.7
207.13823	3.4
208.12477	1.3
209.09599	1.2
209.13252	3.1
210.13976	0.5
211.11217	2.8
211.14803	1.1
212.12003	0.5
213.12730	2.8
215.08603	0.4
215.10632	1.0
215.14304	1.1
217.12247	1.0
218.11017	0.5
219.11661	1.3
219.13773	0.9
220.12466	0.6
221.13217	1.7
221.15385	7.3
222.14055	0.5
223.11189	2.6
223.14775	2.5
224.11954	0.6
225.12747	2.0
225.16365	1.2
226.13370	0.7
227.04646	0.5
227.10680	0.9
227.14302	1.8
229.12238	2.4
231.11696	0.7
232.12471	0.7
233.09554	0.7
233.13194	1.0
233.15359	0.7
235.11223	0.6
235.14897	0.8
237.12704	1.2
237.16432	0.7
239.10768	0.6
239.14354	1.1
241.12239	3.9
245.13303	0.8
245.15511	0.5
246.14012	0.7
247.11078	0.7
249.12694	1.0
249.16577	0.5
251.14279	1.4
253.15906	0.8
260.99170	0.7
261.16388	1.2
263.14288	0.6
265.15881	1.3
267.13950	0.7
267.17557	0.5
269.15411	1.0
271.17032	0.7
277.15765	0.7
277.21719	0.5
279.17590	1.1
283.16940	0.7
285.18457	0.9
286.19284	2.4
287.05576	1.4
289.15952	0.8
293.18854	0.6
298.19351	0.6
307.16885	0.5
308.84454	0.5
309.18347	0.5
312.20819	1.0
337.02402	10.5
343.19299	0.7
345.22372	0.6
349.17697	0.4
351.19632	0.5
351.85394	0.4
357.20764	2.2
361.25632	0.5
363.23392	1.1
375.19550	0.5
378.25531	2.2
393.08615	18.4
393.20511	1.1
431.25806	2.2
449.26852	100.0
450.27191	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	449.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84295	0.2
53.03936	0.4
55.01857	0.5
57.03430	0.5
60.04514	0.3
60.81849	0.2
65.03658	0.3
65.03944	2.8
67.05495	0.6
69.03410	0.6
69.07072	0.3
69.64680	0.9
70.06259	0.3
70.06596	3.1
70.92406	0.2
71.01343	0.3
71.03466	0.2
72.08139	0.9
72.55380	0.2
73.02903	0.6
74.06054	0.4
79.05488	0.5
82.04186	0.9
82.88348	0.2
83.04982	0.2
84.04489	0.6
84.08142	1.3
85.02434	0.3
85.02908	3.6
86.09700	0.7
89.97266	0.2
91.05511	0.3
93.03393	0.9
95.01320	1.5
95.04966	0.6
97.02876	0.4
97.06531	1.0
99.00804	0.3
99.04519	0.3
103.03888	0.3
108.02116	0.7
110.03696	1.7
110.07172	0.3
111.04479	0.4
113.02351	0.6
120.08084	0.3
123.00818	0.3
125.05940	1.1
129.10236	0.7
131.03355	0.2
136.07591	0.4
138.03136	0.7
140.04675	0.9
141.01859	2.8
142.02621	2.1
147.04430	0.3
153.05484	1.3
159.02895	0.3
163.03917	0.2
166.08643	0.5
166.46069	0.2
171.06554	2.1
176.33412	0.2
181.04956	100.0
182.05283	1.0
192.07883	0.2
219.79193	0.2
247.11052	0.5
255.08572	0.7
273.09708	1.4
274.90851	0.2
287.05469	0.8
287.13986	0.4
341.75769	0.2
357.08298	1.6
387.15967	0.3
449.15588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
51.02910	0.1
55.02626	0.1
56.05028	0.2
57.03415	0.1
67.01838	0.3
68.99797	0.4
69.03400	0.2
70.06597	2.4
70.63826	0.3
71.05001	0.9
72.08146	0.4
74.06054	0.2
75.37196	0.1
79.05462	0.1
81.03416	0.1
84.04498	0.2
84.08148	0.8
85.02911	1.2
86.09717	0.5
88.03987	0.2
91.05455	0.1
97.02873	0.1
107.08543	0.1
110.07153	0.2
111.00799	0.2
120.08132	0.7
121.02884	0.3
123.04411	0.1
127.03937	0.1
129.05479	0.1
129.10222	0.4
130.72060	0.1
135.04436	1.4
136.07565	0.2
137.02333	0.6
153.01843	4.4
158.97400	0.1
161.02338	0.4
165.01836	0.2
171.02853	0.3
179.03415	0.3
203.03401	0.1
213.05536	0.2
217.08200	0.1
219.06540	0.1
229.04990	0.2
231.06546	0.2
234.98964	0.2
241.04930	0.5
257.04559	0.1
259.06250	0.1
269.04474	0.3
269.13022	0.1
270.05072	0.1
274.05261	0.1
279.16992	0.1
287.05515	100.0
288.05798	1.2
303.05023	3.5
305.05396	0.1
449.10822	3.1
449.17157	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	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99408	0.3
57.02129	0.2
58.92469	0.2
59.05000	1.2
70.67727	0.3
71.51125	0.4
71.51494	0.2
74.73881	0.3
79.05491	0.5
84.04498	0.6
86.09737	0.4
89.06052	0.7
91.05482	0.5
92.05721	0.3
93.07045	1.0
95.04956	0.4
103.05471	5.6
103.07580	0.4
107.04965	1.6
118.06577	0.3
120.08113	100.0
121.06524	0.3
121.08602	3.5
126.05502	0.3
131.04930	2.4
142.45380	0.2
149.05991	2.0
163.03914	1.2
166.08650	55.6
167.08969	0.4
170.36360	0.3
355.34094	0.3
357.32394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
51.03857	0.1
55.05504	0.2
56.05019	0.2
57.03424	0.4
61.02619	0.1
61.02925	2.1
61.96855	0.1
64.98495	0.1
67.01865	0.4
67.20314	0.1
68.99792	0.3
69.03415	0.4
69.07037	0.2
70.06594	3.9
70.32898	0.3
70.33299	0.3
71.04973	0.2
72.08163	0.6
73.02904	0.6
74.06055	0.2
74.80075	0.1
79.05476	0.3
81.03414	0.3
84.04488	0.4
84.08147	1.5
84.08646	0.2
85.02909	2.1
86.09702	0.5
88.03987	0.3
91.03954	1.1
91.05435	0.2
97.02881	1.2
97.80761	0.1
98.09666	0.1
98.20861	0.1
99.04406	0.2
103.05424	0.2
105.07064	0.2
107.04929	0.2
107.08601	0.2
109.02872	0.3
110.07151	0.6
111.00800	0.3
117.03383	0.2
119.08558	0.1
120.08090	0.7
120.66128	0.1
121.02863	0.9
121.08472	0.1
121.51283	0.1
127.03897	0.5
129.10236	0.8
133.02829	0.2
135.04428	1.1
136.07607	0.2
137.02345	0.5
145.04927	0.4
147.04419	0.3
153.01828	4.6
157.06419	0.2
161.02336	0.4
161.05971	0.3
163.03821	0.2
165.01840	0.5
171.02881	0.3
171.04271	0.1
179.03311	0.2
183.02820	0.4
183.04393	0.1
185.05774	0.1
213.05460	0.4
231.06557	0.3
241.04921	0.5
258.05157	0.3
259.06296	0.2
263.05655	0.1
269.04471	0.4
287.05484	100.0
288.05862	1.1
303.04965	0.2
353.06689	0.2
411.19705	1.3
449.10623	0.7
449.15955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01860	0.6
57.03429	1.7
59.71513	0.6
61.02927	1.6
69.03430	6.2
70.06593	1.0
71.04986	2.3
71.52056	1.1
71.52412	0.7
72.08157	0.7
72.56313	0.6
73.02895	2.2
79.05495	6.4
81.03425	6.1
84.08121	0.7
85.02909	47.7
86.09712	1.2
89.85603	0.8
91.05447	0.7
95.04992	1.7
96.82637	0.6
97.02895	11.9
99.04459	22.1
103.03949	60.8
103.05403	4.7
105.07036	100.0
109.02895	9.7
115.03881	0.6
127.03924	64.7
128.53206	0.6
129.10201	0.7
143.08591	1.2
145.04965	55.0
156.60876	0.7
159.08090	2.1
163.06023	72.8
167.08575	1.2
169.04997	1.0
176.73915	0.6
185.09750	0.9
187.05994	3.3
189.09113	1.3
195.08105	0.7
205.07082	3.9
213.09120	2.6
231.10291	1.4
247.08224	1.0
253.07182	1.1
271.08197	8.1
287.05585	1.0
289.09198	10.9
291.12143	1.0
303.05066	4.8
304.55692	0.7
307.10269	28.1
430.59286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75892	0.2
51.95554	0.2
55.01863	0.2
59.04968	0.2
65.03933	0.2
68.99799	0.6
70.06608	1.6
71.52232	0.4
72.08138	0.4
73.02924	12.3
81.03419	0.4
81.07052	0.4
84.04525	0.4
84.08154	1.4
85.02900	0.7
86.09721	0.9
87.04478	1.4
91.05467	0.5
93.07051	0.4
95.04951	0.4
99.04462	0.4
100.11229	0.2
105.07028	0.4
107.08578	0.4
109.02910	0.4
109.10249	0.2
109.66615	0.2
110.07156	0.2
111.00819	1.0
111.08073	0.3
117.06966	0.2
120.08156	0.4
121.02859	0.8
123.04454	0.3
123.08061	0.3
127.03944	0.3
129.10271	0.3
133.10147	0.2
135.04440	0.2
137.02347	3.1
145.06451	0.3
147.11674	0.2
149.02370	0.7
153.01836	4.4
161.06041	0.4
163.03897	0.7
163.11270	0.2
165.01834	1.8
167.03427	0.2
173.05959	0.4
183.02890	0.9
183.04395	0.4
187.03842	0.5
195.03006	0.2
201.05505	1.8
219.06538	0.3
229.04987	4.4
247.05984	0.7
257.04492	3.0
274.04736	0.7
275.05582	0.3
285.04077	1.1
302.04056	0.4
303.05014	100.0
304.05347	1.1
414.79260	0.2
447.17160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3834
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03948	2.3
55.05515	41.1
57.07083	59.3
67.05502	4.0
69.07076	83.5
71.01151	2.5
71.08642	49.1
78.13454	1.5
79.05463	3.5
81.07077	8.8
83.08629	62.1
85.10195	25.5
91.05499	3.0
93.07051	5.6
95.08619	7.0
97.09551	3.0
97.10182	59.6
99.11736	4.1
105.07037	2.2
107.08607	7.2
109.10177	4.9
111.08058	1.9
111.11733	42.7
113.13272	3.2
119.08614	3.1
121.06512	4.0
123.08082	2.6
125.09658	1.4
125.13289	19.3
127.14764	1.6
127.61857	1.5
135.08078	13.0
137.09627	9.9
138.06697	1.6
139.07545	20.9
139.14821	5.8
145.10091	1.5
149.02361	12.0
149.09630	8.1
151.07567	16.1
153.09131	12.7
153.16418	3.0
159.11792	1.6
163.07594	3.3
163.11209	3.3
165.09132	55.4
166.06248	2.1
167.07048	3.7
167.18037	1.7
169.08618	11.3
173.09631	1.7
176.08420	2.3
177.09122	7.2
179.10693	2.9
181.08635	26.1
186.23389	1.4
187.11234	1.7
191.10683	9.7
205.12297	6.4
265.56702	1.3
374.06467	1.5
384.97131	1.3
389.69720	1.4
429.37234	22.1
430.37775	2.1
447.38391	100.0
448.38605	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	446.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
55.01868	1.8
55.05499	2.5
56.05030	2.6
57.03419	3.6
58.66818	1.5
61.02925	4.1
65.47283	1.5
69.03440	14.7
69.07079	3.2
70.06598	11.5
71.04980	6.2
71.52460	2.1
72.08163	9.1
72.96571	1.4
73.02922	6.9
79.05488	2.5
81.03420	18.6
81.07066	4.8
83.04986	2.1
83.08589	1.9
84.04517	3.1
84.08149	43.7
85.02908	69.8
85.06496	1.5
85.08441	1.9
86.06057	2.3
86.09226	2.2
86.09711	28.9
87.04504	1.8
88.03976	4.0
91.05466	6.5
92.05800	1.8
93.07047	3.1
95.05013	2.6
97.02899	44.9
99.04462	48.8
103.03952	72.0
103.05402	3.6
105.07058	2.0
105.60580	1.5
109.02893	22.7
110.07148	3.2
113.05982	1.5
116.07120	1.6
119.04964	3.8
120.08123	16.8
121.06487	2.0
122.92437	1.3
123.08087	2.7
127.03923	100.0
129.10236	14.9
131.08614	1.8
132.10199	8.5
133.06444	1.6
135.04453	1.5
135.08026	1.6
136.07585	13.1
137.07988	2.0
145.04971	68.0
145.06139	3.5
145.10164	3.3
147.04443	2.5
159.11365	1.5
159.99680	1.3
163.06027	37.8
169.05060	2.1
177.12958	1.3
187.05956	4.6
201.12430	1.5
231.13863	2.1
249.14795	1.8
253.07056	1.5
271.08170	13.1
274.20093	1.4
287.96484	1.5
289.09283	7.7
289.18060	1.8
307.10086	3.2
307.18973	2.7
338.11801	1.5
360.02884	2.3
402.14972	1.4
457.23807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01866	0.6
55.05518	0.6
57.03433	1.6
61.02923	2.3
64.03906	0.4
69.03434	9.8
69.42068	1.0
69.42474	2.3
70.06589	1.7
71.05004	3.7
73.02940	2.9
74.09731	0.6
81.03421	11.3
83.04999	0.8
84.08150	1.3
85.02910	67.1
86.06065	0.8
86.09700	2.4
87.04472	1.2
91.03956	0.6
95.04960	0.7
95.09467	0.4
97.02896	24.1
99.04459	35.4
103.03949	86.8
105.07035	3.0
109.02888	14.7
109.03476	0.4
110.07209	0.6
115.03938	1.3
120.08115	0.8
127.03923	100.0
128.04251	1.2
145.04967	60.9
163.06026	57.6
169.04929	0.9
187.06024	4.8
198.26013	0.5
205.07057	3.7
249.14977	0.6
253.06952	1.2
271.08112	8.1
289.09158	8.2
297.67166	0.5
303.04993	3.8
307.10233	15.6
411.16376	0.6
446.21371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01860	8.1
55.05512	36.6
56.28293	1.4
57.03430	1.8
57.07080	41.3
66.58493	1.4
67.05508	19.5
69.07073	74.8
69.35889	10.9
70.12369	1.3
71.04973	1.8
71.08634	28.6
79.05500	15.3
81.07064	63.4
83.04993	5.6
83.08625	48.7
85.06551	2.5
85.10188	17.6
91.05452	8.3
93.07051	29.6
95.04972	1.6
95.08613	48.5
97.06534	7.1
97.10179	31.7
98.21458	2.6
99.11707	1.5
102.76900	1.7
105.04539	1.4
105.07041	4.2
107.08604	25.8
109.06520	4.5
109.10168	27.1
111.08084	10.6
111.11727	24.8
119.08566	5.1
121.06505	7.6
121.10146	17.4
123.08099	10.1
123.11713	13.2
124.05216	5.2
125.09630	2.3
125.13306	9.4
131.08621	2.7
133.10106	4.5
135.08037	2.6
135.11703	13.2
137.05951	11.2
137.09654	2.7
137.13245	4.1
139.07549	100.0
139.14720	2.3
145.10052	1.8
147.08069	1.8
147.11673	3.4
148.83371	1.4
149.09625	4.2
149.13271	17.9
151.07568	9.4
151.14873	2.0
152.08286	1.8
153.09167	1.6
153.12674	1.9
159.11707	2.2
161.09621	2.1
161.13275	2.6
163.14804	13.9
165.05511	17.1
165.09120	22.8
167.07007	2.4
175.11189	3.3
175.14772	2.3
177.09164	5.1
177.16443	4.9
179.10771	2.0
179.17894	2.6
181.08600	2.5
189.12816	4.4
193.08621	16.7
193.12109	1.5
201.08826	1.7
203.10670	5.0
205.12305	1.9
207.21289	1.6
213.12933	1.8
217.12328	4.7
221.11708	5.9
223.24007	1.5
227.14378	1.9
231.13872	3.7
235.13319	1.6
254.60135	1.5
263.04855	1.3
289.28882	18.0
291.19666	1.5
307.29956	25.5
319.22479	1.8
399.36285	2.4
417.37186	8.7
427.35931	9.4
445.36801	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2047
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.34782	0.2
55.01875	0.4
55.05509	0.5
58.06607	4.9
67.05502	0.8
69.03436	0.5
69.07058	0.7
70.06593	1.0
71.05000	0.3
72.08144	0.4
72.64656	0.2
73.02905	0.4
73.04747	0.2
79.05482	0.3
81.03425	1.7
81.07059	1.0
83.04982	0.8
83.08627	0.4
84.04525	0.3
84.08136	1.0
85.02905	0.6
86.09714	0.6
89.06045	0.5
91.05429	0.4
93.07037	0.4
95.04994	0.3
95.08631	0.5
97.02920	0.6
99.04418	0.4
105.07014	0.3
109.02864	0.5
111.04445	0.5
111.08092	0.3
119.08578	0.3
121.10165	0.5
123.11713	1.0
127.03909	0.6
135.11615	0.3
140.14297	1.1
143.68381	0.2
149.09578	0.2
153.12717	0.5
155.01984	0.3
155.03209	0.4
163.11250	0.4
167.05597	0.4
167.07088	0.3
173.02992	0.5
181.12291	0.4
191.10728	0.4
201.03735	1.0
227.12794	0.4
258.17120	0.5
275.07376	0.4
283.15393	0.5
313.16235	1.0
314.67450	0.3
320.18854	0.2
333.07956	15.5
335.09464	1.1
342.09744	1.0
343.16006	0.4
353.16342	0.3
359.02911	0.5
427.18237	0.2
445.20486	100.0
445.28885	2.8
446.20755	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Swinhosterol B
Peak:m/z	Relative Intensity
50.58858	3.8
55.05521	28.8
57.07078	59.2
67.05487	13.2
69.07069	45.9
70.64285	11.5
71.08635	42.6
79.05498	8.6
81.07067	33.6
83.01330	11.7
83.08627	31.7
85.10196	17.8
91.05469	11.5
93.07039	11.9
95.08604	26.1
97.02881	5.4
97.10165	19.7
99.04455	7.4
99.60039	4.6
105.07014	9.8
107.08585	16.4
109.06525	65.2
109.10193	22.6
111.08031	4.6
111.11716	11.3
113.13301	3.9
119.08560	12.7
121.10133	7.5
123.08034	11.5
123.11688	7.9
124.08876	3.9
131.08556	10.7
133.10112	8.0
135.08063	22.2
137.05991	100.0
137.09570	6.2
139.07556	13.9
147.08090	3.9
147.11667	6.3
149.09605	12.1
151.07559	32.5
151.14911	3.8
153.09067	4.3
157.10164	5.2
159.11734	4.6
160.63763	4.0
161.09618	16.1
161.13280	6.9
163.07484	9.8
163.11180	6.7
163.14841	4.1
165.09117	23.6
169.08627	4.9
171.11824	4.3
171.93559	3.8
173.09691	5.4
174.10379	3.9
175.11163	16.1
177.09117	13.8
179.10658	13.2
179.14441	3.9
181.19749	3.5
185.13177	5.3
189.09291	4.5
189.12747	14.7
191.10736	6.3
193.12221	14.6
203.14291	8.8
205.12300	5.2
207.13768	19.7
217.12231	4.4
221.11700	4.3
221.15352	8.0
231.13803	6.6
231.17429	4.3
235.16959	5.8
249.18507	8.7
263.20062	7.5
277.21609	9.0
291.22998	4.2
305.24667	5.1
319.26505	6.3
369.17151	3.7
385.34607	28.0
399.36246	27.0
403.35715	29.2
417.37350	44.9
427.35901	26.3
445.36911	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	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01876	1.4
55.05507	0.6
56.05036	0.3
57.03433	0.6
59.04993	0.7
61.02909	0.7
62.21260	0.2
63.02421	0.3
64.95418	0.2
65.03963	0.3
67.05501	1.0
68.99787	0.5
69.03084	0.5
69.03432	5.2
69.07083	1.2
69.57133	1.6
70.06597	2.9
71.04990	0.9
72.08161	1.4
73.02916	0.9
73.04768	0.4
73.65214	0.2
79.05501	0.8
80.69054	0.2
81.03421	4.1
81.07067	1.2
83.04963	0.3
84.04493	1.0
84.08149	3.5
85.02909	10.5
85.08469	0.3
86.09221	0.4
86.09711	6.1
87.00829	4.3
87.05602	0.5
88.03988	0.4
91.03964	0.3
91.05447	3.7
93.06485	0.4
93.07047	5.5
95.04961	1.1
95.08622	0.6
97.02902	4.4
97.06528	0.3
99.04461	1.6
100.20449	0.3
102.05527	0.3
103.03960	0.3
105.01863	3.0
105.07037	5.3
107.08598	15.4
109.02129	0.4
109.02885	6.5
109.06511	1.0
109.10159	1.6
110.07161	0.4
112.08717	0.4
113.05964	0.3
116.07071	0.3
117.01840	0.3
119.04951	0.5
119.08588	1.4
120.08113	2.1
121.02850	0.3
121.06499	1.6
121.08444	0.2
123.04449	0.9
123.11722	1.1
125.05972	0.3
127.03924	8.2
129.01822	0.3
129.10237	2.7
131.08533	0.4
133.10138	16.1
135.08018	0.3
135.11697	17.5
136.07585	1.0
137.05980	0.8
137.09619	1.2
143.08591	0.5
143.11780	0.3
145.04968	2.2
146.07233	0.3
151.11169	1.7
154.18448	0.3
159.02881	1.2
161.09622	9.6
162.17143	0.3
167.05507	0.4
176.66893	0.3
179.10680	30.6
185.79619	0.2
189.03972	0.3
197.11742	100.0
198.12148	0.8
213.03925	1.2
225.04202	0.3
225.17146	0.3
231.05005	2.6
238.14421	0.5
246.15752	0.3
248.30153	0.2
320.12537	0.5
359.02878	0.6
416.76071	0.2
444.79303	0.4
445.16492	1.8
445.30206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1685
Annotation	Rossicasin B
Peak:m/z	Relative Intensity
55.05490	0.3
56.21252	0.3
60.04514	0.4
69.03426	0.5
69.07056	0.5
70.04146	1.4
70.06598	3.2
72.08136	1.6
73.04736	1.2
74.06070	0.3
77.80511	0.3
78.88283	0.3
83.04984	0.4
84.04495	1.0
84.08150	2.6
86.09222	0.5
86.09711	5.1
87.09997	0.6
88.03989	0.4
91.05864	1.6
93.60177	0.3
97.02849	0.4
102.05577	0.6
103.05469	0.4
109.02840	0.3
110.07136	0.9
127.03872	0.6
129.10214	1.4
139.08661	0.8
145.02820	0.6
147.04449	0.5
167.05528	0.7
177.05438	1.2
181.05148	0.3
197.09874	0.3
202.27032	0.3
215.14027	0.6
225.04274	0.5
227.05222	0.4
242.98122	0.4
243.13361	0.3
283.11362	0.4
301.12585	4.5
327.02704	0.3
329.08167	0.7
330.44653	0.3
336.25665	0.3
341.02194	0.3
341.11490	0.4
342.99255	0.3
343.13174	0.5
359.02856	1.4
361.88974	0.3
383.16797	9.0
385.14624	4.4
427.15549	1.6
445.16742	100.0
446.16946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77012	1.0
53.03948	7.5
55.01865	3.1
55.05508	3.8
56.05023	3.0
57.03430	4.6
57.05807	1.2
60.04522	1.8
61.02911	4.9
65.58568	1.3
67.05500	2.4
69.03439	18.8
69.07071	3.0
69.46717	9.9
70.06596	17.7
71.04986	5.8
71.67517	1.3
72.08161	13.5
73.02939	6.3
73.04742	2.1
79.05497	3.0
81.03421	18.8
83.04979	1.8
83.06084	1.8
84.04493	4.7
84.08153	12.9
85.02910	60.4
86.09238	1.6
86.09716	19.4
87.00842	6.7
87.04465	1.7
87.05602	1.6
91.05467	5.0
92.98123	1.3
93.07044	6.9
95.04963	2.4
97.02300	2.4
97.02898	37.9
97.06491	1.5
98.06037	1.5
98.21448	3.2
99.03852	2.6
99.04456	31.0
102.05537	2.3
103.03945	47.7
105.01866	6.2
105.07042	7.1
107.08600	33.3
108.59345	1.4
109.02891	28.3
109.06505	2.4
109.10186	2.1
110.07156	2.1
115.03928	2.4
119.04985	2.1
119.08576	1.9
120.08101	5.6
121.06484	3.2
121.10133	1.8
123.08041	2.2
127.03924	79.4
129.10251	7.4
131.08629	2.2
133.10143	19.9
135.11694	12.6
136.07596	3.9
137.05937	1.9
137.09642	2.4
145.04970	49.7
147.04407	4.9
148.12766	1.6
151.11227	2.5
159.02895	6.3
161.05919	1.5
161.09616	9.8
163.03969	1.7
163.06029	26.5
167.05530	2.3
169.04890	1.8
179.10687	25.9
187.05986	3.0
197.11740	100.0
198.12103	1.5
215.10245	1.7
231.05043	4.0
271.08151	9.2
289.09198	7.9
307.10297	2.7
334.66254	1.4
359.02744	3.6
445.15622	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	445.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57629	1.6
52.40247	1.4
53.03943	4.1
55.01876	3.1
55.05504	3.2
56.05031	2.5
57.03419	2.5
60.04513	2.5
61.02923	3.6
69.03439	14.3
70.06601	17.5
71.04984	4.9
71.51772	2.6
72.08157	15.6
73.02911	4.2
73.04756	3.6
81.03425	12.8
83.04991	3.5
84.04501	9.7
84.08154	10.1
85.02913	61.4
86.09715	27.4
86.10188	1.5
88.03999	4.2
91.03946	1.7
91.05791	5.8
93.07048	2.5
95.04969	1.5
97.02902	35.5
99.04465	38.7
102.05547	3.8
103.03951	71.6
107.08594	2.0
109.02898	21.4
110.07181	3.6
115.08671	1.7
119.04932	3.2
120.08125	12.9
121.02864	4.2
121.06460	1.8
121.08438	1.4
127.03927	100.0
129.10229	6.7
132.10287	2.7
136.07567	3.3
139.08679	1.5
145.03049	2.3
145.04976	64.7
147.04411	2.9
163.06035	40.9
163.07401	2.8
167.05565	2.9
169.04907	3.3
171.15002	2.1
177.05484	6.3
185.12759	2.1
187.06058	3.6
187.07576	2.4
189.01779	2.5
217.08273	4.3
219.02924	1.9
229.08730	2.2
243.13281	4.9
245.07704	2.1
247.12770	2.0
271.08182	11.9
281.08148	2.2
289.09229	9.3
294.05194	6.7
295.05972	3.0
307.06024	10.1
307.10172	6.3
308.06543	3.1
313.07388	1.8
314.16876	3.6
319.06155	2.1
325.06989	5.3
337.07059	13.0
339.08652	1.8
349.06827	1.6
355.08127	5.9
359.02692	4.8
363.08627	2.2
367.07904	2.2
379.08121	4.4
391.08020	5.6
391.48694	1.7
401.18127	2.9
409.09225	8.9
427.10361	12.0
445.10666	4.6
445.17010	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	445.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	3.8
56.96565	10.7
58.49248	3.0
61.39915	3.4
67.05515	4.5
69.03411	4.0
69.07054	4.9
70.06595	16.0
71.52171	5.9
72.08177	3.4
73.04772	7.9
79.05470	5.3
81.03403	2.9
81.07044	7.4
83.08637	2.9
83.87544	2.9
84.04491	3.6
84.08142	13.4
84.96033	7.6
85.02886	6.3
86.09718	20.6
91.05805	9.2
93.07048	3.6
95.04983	4.1
95.08615	8.9
97.02892	4.8
98.97595	59.0
105.07050	4.9
107.08611	5.2
109.02859	4.6
109.10182	4.1
110.97592	15.1
112.99204	4.6
116.98646	20.5
119.08635	4.4
120.08083	6.2
121.10124	4.6
127.03901	6.9
128.98596	11.5
129.10196	5.5
131.08620	3.3
133.10092	8.5
136.07610	4.7
140.98560	4.9
143.00186	6.2
144.98056	8.4
152.98528	4.4
158.99661	16.2
167.05530	4.2
170.99670	5.1
173.01201	3.1
177.00676	10.8
189.00713	3.7
199.06401	7.3
201.00636	7.6
219.01787	29.7
237.02852	27.8
241.07265	3.4
297.56711	3.1
301.09592	52.9
319.10663	74.8
342.09213	7.8
342.12701	6.9
343.10638	42.9
359.02866	7.7
361.11755	40.3
385.11722	31.0
445.14749	100.0
445.20441	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	444.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58103	0.6
53.59010	0.6
56.05033	1.5
57.03444	0.9
69.03423	1.2
69.79072	3.3
70.06580	3.0
70.67431	0.6
72.08159	1.8
83.06111	2.5
84.04513	21.8
85.02900	2.6
86.09682	3.4
95.04958	0.6
96.04485	1.6
97.01099	0.8
97.02885	1.2
99.04453	1.0
99.05587	1.3
103.03901	0.8
103.07587	1.0
104.10728	2.9
108.04503	0.8
109.02862	1.0
109.07618	2.3
110.06062	0.8
110.07172	1.1
115.07551	1.3
120.04471	2.2
120.08128	0.9
124.02184	1.4
125.00624	0.8
127.03930	1.2
128.00595	0.7
129.06606	2.3
129.10197	0.9
130.04993	4.3
133.05232	6.3
133.06181	0.9
133.08606	0.9
135.05507	0.9
136.02162	1.3
138.03680	0.7
139.02078	3.5
139.03909	1.4
140.01669	1.2
140.04645	1.9
145.05006	1.2
146.16518	0.7
147.04433	1.2
148.03879	1.7
150.05481	0.9
151.00880	1.3
151.02663	2.2
152.01671	4.6
153.06627	4.2
154.04985	2.6
155.08139	2.0
162.05489	1.2
163.06311	4.8
164.01643	1.1
164.03392	2.3
166.03246	9.1
166.04997	24.7
167.01639	3.0
171.01067	1.1
177.05466	0.9
178.04982	11.8
179.05791	7.2
179.99680	1.2
180.01157	16.4
180.06548	1.2
181.01968	3.4
181.06085	1.6
182.02737	3.8
183.01151	5.4
184.07385	2.1
185.02625	3.4
186.02216	2.9
186.05492	1.2
194.02734	17.1
194.04396	0.8
195.01094	3.7
195.03401	0.6
196.04300	16.8
197.01413	18.4
199.07156	1.5
207.07693	1.2
208.10890	0.7
212.03772	100.0
213.04021	0.9
216.01149	0.8
228.94244	0.8
234.02278	1.5
240.03169	1.4
247.11462	0.7
251.04834	2.9
251.07031	1.4
257.07803	1.3
278.04767	2.6
283.03870	1.2
297.05405	50.1
315.06439	12.4
369.07498	14.7
381.07458	1.3
427.07892	0.8
444.10632	4.2
444.20175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05503	3.1
57.07079	7.1
59.04995	0.8
67.05516	6.7
69.07078	4.8
70.75985	1.4
71.08640	10.4
71.82515	0.6
79.05482	3.4
81.07066	36.3
83.08624	2.0
85.06531	0.7
85.10190	3.2
87.04453	1.5
91.05491	2.6
93.07063	3.6
95.08070	1.1
95.08621	15.8
95.09239	0.8
97.10170	2.5
99.08084	1.8
105.07044	1.2
107.08608	1.9
109.10165	7.5
111.11745	1.3
119.08600	3.1
121.10157	5.0
122.07310	1.5
123.11741	0.8
133.10077	1.2
135.08058	1.7
135.11711	0.9
137.09633	9.1
137.13272	9.9
145.10164	1.2
147.11729	1.3
149.09650	7.8
155.14261	1.7
157.10110	0.9
161.09578	1.0
163.11203	2.8
165.09129	100.0
166.09508	1.1
171.11836	1.0
173.09543	0.9
174.10498	0.8
175.11232	1.7
177.09119	4.4
177.12637	0.8
179.89139	0.7
187.11162	1.4
189.09056	1.6
189.12727	0.8
190.09879	1.2
190.21487	0.8
191.10701	3.2
199.11171	0.9
203.10693	3.7
205.12245	15.6
207.10060	1.4
217.12259	1.6
221.11722	1.3
225.22115	1.2
229.12286	0.8
243.13968	1.0
255.17436	1.2
267.27005	0.9
392.23447	0.7
397.30969	1.9
425.34024	1.3
443.29218	1.6
443.35086	11.1
462.87149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05032	0.5
56.77552	0.3
57.05815	0.3
60.05654	5.9
69.07074	8.7
69.35962	2.0
70.06596	19.9
71.04967	0.4
72.04528	0.7
72.08150	1.7
75.41560	0.3
84.04493	0.4
84.08146	0.7
85.02943	0.5
86.09711	97.0
87.10040	0.5
97.06583	0.3
97.07626	0.5
105.99511	0.3
109.06545	0.3
112.08728	3.9
113.07169	0.6
114.10284	0.5
115.08695	3.7
116.07098	7.7
120.08089	0.3
124.19939	0.3
128.10727	17.3
129.10228	0.4
130.09760	3.2
131.11838	0.4
133.09755	1.1
136.07674	0.5
156.10191	1.7
156.11354	7.8
157.10901	0.7
158.09256	6.4
163.04001	0.3
175.11914	18.1
199.18094	0.4
208.14609	0.3
226.15602	0.5
229.15515	0.6
251.17599	0.3
253.16632	0.4
269.18546	0.7
271.17688	7.6
271.20642	0.4
288.20370	0.8
401.27789	0.4
425.28860	0.7
443.29791	100.0
444.30008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42780	0.5
54.49134	0.6
55.05504	2.5
57.07065	1.7
63.00048	0.7
67.05508	4.1
69.07079	5.1
69.14648	5.1
69.15060	1.3
71.05000	2.7
71.08621	1.1
79.05481	1.9
81.07059	13.1
83.04952	0.7
83.08614	3.2
87.04437	0.8
89.06026	0.5
91.05488	1.3
93.07040	2.5
95.08615	8.8
97.10186	1.4
99.08090	1.2
105.07015	2.2
107.08604	2.9
109.10156	7.7
111.35941	0.5
113.72673	0.5
117.07063	0.9
119.08585	2.6
121.10131	2.4
122.07303	0.9
123.08060	0.6
123.11703	4.5
131.08588	1.5
133.10123	1.1
135.08086	1.3
135.11693	1.6
137.09633	8.1
137.13263	1.8
141.12740	0.8
149.09630	11.6
149.13281	1.0
151.14803	1.2
157.10139	0.7
159.11705	1.7
161.13231	0.7
163.11201	5.9
164.09892	0.6
165.09123	100.0
173.09723	1.0
175.11169	2.2
176.08260	1.5
177.09094	6.7
177.12737	1.1
179.10699	1.4
180.82747	0.6
187.11185	2.4
189.09172	0.8
189.12819	0.8
190.09868	2.0
191.10693	6.7
201.12825	1.7
203.10645	1.0
205.12244	17.9
219.13770	1.3
263.23892	0.6
267.26846	1.1
415.31638	5.4
425.34109	4.0
443.35184	17.4
444.35434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.3
55.01879	13.7
55.05522	29.7
57.03450	32.1
61.02922	16.4
67.05511	81.4
69.03436	76.6
69.07064	20.6
69.18287	17.4
69.18698	41.9
70.06570	16.2
71.04985	10.4
72.31377	5.7
73.02912	14.0
79.05506	100.0
81.03001	6.1
81.03427	67.8
81.07070	77.2
83.04980	22.9
83.08638	15.2
84.08155	8.4
85.02911	47.9
85.06536	9.2
86.06065	6.9
86.09676	6.2
91.03970	7.2
91.05482	95.1
93.07050	92.2
95.04970	38.2
95.08614	47.7
96.55318	6.7
97.02904	33.6
97.06528	14.9
97.10157	9.9
99.04459	23.3
103.03957	13.6
105.07027	71.4
107.04969	18.4
107.08585	27.5
109.02873	17.5
109.06498	13.7
109.10167	12.4
111.08104	7.7
115.05443	6.3
115.99963	6.5
117.07018	38.0
119.04911	9.4
119.08571	36.8
121.06516	11.6
121.10131	9.5
123.08049	11.8
125.09578	6.6
127.03905	28.3
128.06206	10.4
129.06987	43.0
131.08568	25.3
133.06552	9.7
133.10129	24.3
133.39899	5.9
135.08047	13.3
137.05933	5.8
137.09648	7.7
137.81415	6.5
141.07014	11.0
143.08559	28.3
145.04968	15.1
145.06479	13.2
145.10129	28.8
147.08072	17.3
147.11678	41.2
149.06003	6.9
155.08485	6.1
157.06494	7.7
157.10118	6.6
159.08105	11.2
159.11652	9.9
161.13240	16.4
167.08569	8.9
169.10132	13.9
171.08047	15.0
171.11671	31.5
173.04527	6.6
173.09662	8.0
173.13306	7.2
181.10114	7.1
185.13222	8.3
187.11296	9.3
189.12729	17.4
197.13368	8.0
199.14880	10.2
201.00261	7.3
203.14297	8.5
207.13722	32.3
233.15445	8.2
257.15308	9.3
259.17029	7.6
269.15366	16.0
271.92102	6.5
281.17535	91.8
287.16376	23.0
323.18442	10.1
333.20685	10.3
349.19797	7.3
361.20068	23.7
389.19061	8.9
399.04163	7.4
443.18393	7.6
443.23358	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	442.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91418	2.8
54.18106	3.0
55.05514	3.7
57.07064	5.0
60.86805	2.5
66.45172	2.8
67.05495	4.9
69.07057	10.7
69.17198	24.7
69.17612	6.5
75.74263	2.7
81.07043	11.3
87.04461	19.8
93.07039	6.1
95.08589	4.7
97.06553	4.1
101.09644	7.9
101.28923	2.6
105.07048	6.4
107.08601	11.2
109.06491	5.1
119.08601	5.5
121.10163	6.7
123.08060	6.9
123.11721	3.0
131.08597	3.2
135.08063	20.8
145.10185	3.1
147.11600	3.1
149.13322	4.4
165.09109	9.6
177.12743	14.9
179.14395	4.5
181.15836	4.3
191.14374	5.6
192.42863	2.8
361.27356	100.0
393.30069	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	442.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
54.18711	0.8
55.01888	1.6
55.05506	3.1
57.03443	4.2
59.75475	0.9
60.04534	1.1
61.02927	10.2
67.05514	1.8
69.03435	16.6
69.07069	4.1
70.06602	9.4
71.04992	5.9
72.08167	4.5
73.02920	3.6
81.03428	7.7
81.07053	1.5
83.08630	4.0
84.04494	1.8
84.08140	5.4
85.02909	100.0
86.09715	6.2
87.04476	2.4
91.03966	4.7
91.05495	1.5
93.07077	1.4
95.08642	1.3
97.02895	24.8
98.97646	1.1
99.04463	4.8
99.08120	1.6
101.02307	1.1
101.09657	1.3
103.03948	3.0
104.10776	1.3
105.07068	1.3
107.08601	2.1
109.02891	7.3
110.07170	1.4
111.08089	1.7
111.11739	1.1
113.09633	1.3
115.03941	1.7
116.07109	1.8
120.08130	1.9
126.90407	1.3
127.03925	28.7
129.10251	1.9
130.05040	1.0
130.75479	0.9
132.06224	0.9
136.07620	2.1
139.07567	1.7
141.09128	1.5
145.04968	55.7
147.04427	1.1
149.09624	2.7
155.10733	1.1
163.06027	19.2
167.10767	1.0
169.13127	0.9
209.11639	1.9
227.12804	3.0
236.22488	1.0
245.13860	3.2
263.15033	4.2
295.07355	1.3
326.05057	1.5
442.05933	1.5
442.16516	1.5
442.26169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05510	14.2
57.03445	1.4
57.07053	1.7
59.04976	1.7
61.02910	2.2
63.55825	1.1
65.03935	1.7
67.05506	4.9
67.73151	1.1
69.03445	5.8
69.03763	1.5
69.07056	5.3
70.06581	5.4
70.33333	3.3
71.04977	5.2
71.53197	1.2
72.08141	2.5
73.02915	1.5
79.05499	7.3
81.03410	1.6
81.07058	9.0
83.04980	8.6
83.08620	12.8
84.08150	2.5
85.02903	12.3
85.06516	1.5
86.09714	8.1
89.01585	2.4
91.05485	6.7
93.07047	9.5
95.04957	4.1
95.08599	5.9
97.02904	6.1
97.06533	4.2
97.10152	2.2
99.04463	1.8
103.03983	2.0
105.07026	12.1
107.08598	30.4
109.02946	1.4
109.06545	6.3
109.09475	1.7
109.10155	18.7
110.07154	1.2
111.08026	1.4
115.03127	2.3
117.07037	2.1
119.08553	5.6
120.08080	2.6
121.10126	5.3
123.08075	1.8
123.11728	8.9
125.09628	4.9
127.03075	2.1
127.03914	5.9
129.04669	4.0
129.10223	1.8
131.08582	7.3
133.10139	27.7
134.48935	1.1
135.08043	5.1
135.11691	2.3
137.09644	2.2
141.04707	1.4
143.06242	10.6
143.08609	1.7
145.04936	4.9
145.10117	4.4
146.06100	1.4
147.11702	4.3
149.13219	6.9
150.83929	1.0
151.11189	36.4
153.04648	2.8
153.09116	1.7
158.10930	2.5
163.03929	1.8
163.06015	2.1
163.14760	1.7
165.12735	1.6
167.14326	22.1
169.07758	1.6
171.05754	2.6
173.13271	24.5
175.14845	5.8
177.66960	1.1
184.07297	8.9
187.08855	13.6
191.14304	17.4
193.15898	2.6
209.10959	5.4
209.15375	100.0
227.12024	14.1
245.13051	23.8
259.02249	1.2
362.54410	1.2
395.72031	1.4
398.36804	1.3
399.33517	1.4
425.30936	2.4
442.22537	1.6
443.22549	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.07078	28.5
69.07068	1.7
69.84233	3.1
71.08635	25.0
73.06568	5.3
81.03413	0.8
81.07036	1.1
83.08622	3.5
85.10187	24.7
87.04479	1.5
87.51472	0.7
89.06036	100.0
91.05494	1.5
91.07629	1.1
93.07042	0.9
93.74803	0.7
95.04987	0.7
97.10189	1.3
97.68024	0.7
99.11748	2.7
100.41612	0.6
105.78815	0.7
107.07056	1.5
117.09166	3.5
123.08079	0.9
130.08698	2.2
133.08609	44.6
141.16400	3.7
151.07510	0.7
157.15985	0.7
177.11232	20.1
177.12703	1.3
185.19002	4.3
195.12352	1.8
221.13881	2.0
226.21709	1.2
229.21638	13.9
239.14920	1.3
247.55756	0.6
265.16632	1.0
273.24228	6.0
283.17535	18.1
301.49423	0.7
330.96082	0.7
335.27985	2.0
349.16617	0.7
351.18634	0.8
358.24576	0.7
379.30615	2.0
423.33228	37.9
440.29510	0.7
440.35522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01872	1.4
55.05516	14.3
56.63193	1.3
57.03424	1.5
61.02932	8.1
63.04486	5.6
69.03432	8.9
69.40784	8.5
70.06602	12.7
70.89789	1.0
71.04984	3.2
72.08143	1.9
73.02909	2.9
73.06534	4.2
75.04477	11.0
81.03425	13.3
81.07064	1.9
83.84290	1.1
84.04507	1.4
84.08147	6.9
85.02908	67.2
86.09718	2.8
88.04034	1.9
96.90946	1.1
97.02902	19.7
99.04455	39.5
99.08106	1.3
103.03947	86.7
109.02901	15.9
115.03909	2.0
117.08373	1.8
117.09128	13.9
127.03923	100.0
129.10249	3.7
130.06525	1.5
135.10175	32.8
136.07591	2.6
145.04967	61.1
153.01846	1.5
157.07614	1.6
163.06024	41.4
187.06049	6.9
205.07097	4.2
208.02948	7.3
253.07004	1.2
260.10315	1.5
265.05084	1.5
271.08121	3.9
281.23593	1.1
289.09256	2.8
307.10263	5.9
309.07635	6.4
365.10968	1.3
405.17661	2.3
407.47891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.6
57.03437	3.2
57.07084	15.2
62.05795	1.5
62.06094	21.1
63.22696	0.7
67.05511	5.8
69.07071	5.3
69.86050	1.6
69.86471	2.5
71.08640	13.9
79.05504	1.6
81.07056	5.9
83.08622	3.7
85.10186	8.0
91.05478	2.2
93.07064	2.1
95.08616	8.6
97.10177	1.5
98.98474	4.9
105.07047	1.4
107.08586	0.8
109.10184	3.5
112.03970	2.0
119.08637	1.2
121.06513	0.9
121.13703	1.2
123.08102	0.9
139.86200	0.9
140.03438	9.7
142.02682	1.9
147.11662	0.9
155.01018	5.8
159.11697	1.0
198.05254	1.9
205.61140	0.9
216.06415	3.4
225.22131	2.8
255.16647	0.9
268.26407	9.7
299.25824	100.0
331.15839	1.3
349.16895	1.9
379.22519	6.5
422.26514	5.3
439.73584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01871	5.0
55.05513	9.3
55.68517	1.0
57.03443	15.9
59.04982	2.9
61.02934	14.7
65.14621	1.0
67.05495	3.5
69.03434	34.8
69.07072	56.0
70.55856	2.9
70.86741	1.0
71.01354	4.4
71.04993	2.3
73.02923	88.0
79.05512	1.4
81.03427	7.3
81.07059	2.7
83.04999	1.3
85.02912	100.0
87.04469	4.6
90.87447	0.9
91.03957	3.3
91.05474	1.2
93.07047	1.2
95.04963	1.4
95.08615	1.2
96.04507	1.3
97.02898	63.7
99.04446	4.0
101.02363	1.4
103.03951	4.3
105.07018	1.2
107.08559	1.7
109.02897	9.6
109.10185	1.7
111.04470	1.1
111.11728	31.0
115.03934	31.1
123.11731	1.8
127.03930	35.9
133.04976	39.2
145.04971	48.6
150.07600	5.0
150.23853	1.0
153.12755	1.2
163.06033	27.3
165.12756	2.0
169.04849	1.3
180.08762	1.2
182.55365	1.0
193.04958	2.8
195.06665	1.1
199.06075	2.4
214.16699	1.1
217.07076	3.5
223.06108	8.4
225.14897	3.7
237.14787	1.6
241.07120	11.2
243.15950	3.6
255.16008	2.1
259.08151	14.1
277.09216	2.9
278.84406	1.1
291.19382	1.0
295.10330	5.1
311.71112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01875	8.9
55.05512	9.9
57.03441	21.6
59.04998	0.9
59.83963	0.9
61.02930	14.8
67.05502	3.3
69.03434	35.8
69.07071	73.6
70.91582	1.8
71.01357	4.3
71.04980	1.3
73.02922	89.9
79.05471	1.1
81.03431	5.8
81.07050	3.8
81.50833	0.9
82.06587	1.5
83.04970	1.7
83.08619	1.1
85.02908	100.0
86.09691	1.3
87.04476	4.5
91.03945	3.6
91.05451	1.6
93.07047	1.9
95.04954	2.1
96.04530	1.2
97.02897	65.8
97.06572	1.4
99.04451	5.2
103.03945	4.2
105.06989	0.9
109.02868	7.9
109.10118	2.4
111.11729	44.1
111.96608	0.9
115.03936	36.2
121.10123	1.5
127.03922	39.0
132.06577	1.6
133.04973	44.5
135.11719	1.4
142.08624	1.5
144.06534	1.0
145.04962	51.3
147.04436	1.6
147.11714	1.4
148.04791	1.0
150.07626	4.3
153.12747	1.2
154.08635	3.7
157.44043	1.1
163.06027	29.2
163.07391	1.4
184.07318	3.3
193.04953	2.0
193.12213	1.0
195.13879	2.0
199.06055	2.6
204.87704	1.0
207.13689	1.7
208.37065	1.0
217.07053	3.1
223.06007	7.8
225.14835	3.9
229.14360	0.9
237.14929	1.9
241.07079	11.9
243.15961	4.2
251.39389	1.1
255.15973	1.9
259.08121	13.5
272.18640	1.4
273.16959	1.3
277.09195	2.0
295.10214	5.6
416.09134	0.9
440.24258	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	439.3574
Annotation	21-Hydroxylanosta-7,9(11),24-trien-3-one
Peak:m/z	Relative Intensity
54.41739	2.4
55.05508	3.8
57.07092	3.9
67.05492	5.3
69.07078	15.8
70.98077	7.2
78.36603	2.2
79.05475	3.4
81.07066	13.7
83.08646	3.9
84.17500	2.2
88.12625	2.4
89.06042	5.8
91.05483	6.1
93.07073	9.4
95.08622	25.7
97.06541	2.7
105.07026	11.0
107.08632	14.0
109.10144	11.0
119.08606	19.4
121.10158	15.4
121.19137	2.7
123.08115	4.1
123.11684	5.8
131.08565	5.8
133.08623	4.1
133.10143	15.1
133.98053	2.6
135.08031	5.9
135.11729	8.1
137.09633	10.1
137.13269	5.5
145.10114	8.4
147.11685	14.4
149.09645	13.6
149.13312	6.0
157.10143	4.3
159.11719	11.3
161.13272	4.9
163.14804	3.5
165.12746	2.9
171.11760	4.6
173.13275	14.6
175.14838	43.0
177.16417	3.6
183.11757	3.7
185.13339	3.2
187.14803	5.5
189.16365	5.1
191.14331	11.3
196.12592	3.6
197.13354	4.4
199.14911	2.7
201.16444	3.9
203.17996	3.3
213.16417	2.4
215.17929	3.0
225.16391	2.5
229.19525	6.0
231.17427	4.0
231.21112	6.3
239.14934	5.1
240.15306	3.0
255.21112	4.3
265.19473	5.8
276.73367	2.6
279.21051	2.8
297.22141	8.3
311.23740	4.3
320.98312	2.6
366.17657	2.6
389.57587	2.3
403.33719	28.9
421.34671	100.0
422.35349	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	439.2844
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
53.03944	4.3
55.01880	2.6
55.05503	8.3
57.03423	3.9
57.07067	10.8
59.04990	5.4
61.02918	5.3
61.48785	2.1
65.03964	2.7
67.05500	17.1
69.03421	7.0
69.07056	9.9
70.60114	7.2
71.04990	6.7
79.05495	37.9
81.07062	52.3
83.04986	7.6
83.08603	4.4
85.02917	3.8
85.06535	8.6
91.05478	29.8
93.06487	4.1
93.07050	49.6
95.04966	55.5
95.08607	18.7
97.06505	11.5
97.10177	2.4
103.05432	4.6
105.04512	4.1
105.07030	49.6
107.04952	3.2
107.08591	30.7
109.06516	18.2
109.10152	9.6
111.08083	48.9
115.05438	5.4
117.07018	13.2
119.08585	30.5
121.06495	16.9
121.10126	18.8
122.07317	5.6
123.08070	71.9
123.08974	4.2
123.11692	3.8
125.05989	12.3
125.09629	4.7
128.06218	13.3
129.06982	17.3
130.07773	3.6
131.08566	24.4
133.06551	12.6
133.10129	21.6
135.08064	15.4
135.11688	12.7
137.09599	11.4
139.07520	17.2
141.07053	6.7
142.07773	11.1
143.08551	31.8
144.09334	2.7
145.06516	6.0
145.10115	29.3
147.08072	9.5
147.11719	10.8
148.08829	3.2
149.09612	15.5
151.07545	96.7
153.09082	18.2
155.08563	8.2
156.09309	21.2
157.10150	16.3
158.10878	2.6
159.08105	7.2
159.11732	9.9
161.09579	14.2
161.13258	3.1
163.11182	25.3
165.07031	4.9
165.09099	6.0
166.07845	5.5
167.08597	4.2
168.09354	3.3
169.10136	9.4
171.08098	4.0
171.11682	25.2
172.08961	2.6
172.65338	2.4
173.09602	7.2
173.13257	17.2
174.10463	3.0
175.11238	4.7
177.09128	2.9
179.08670	3.7
179.10684	5.6
181.10165	11.1
181.12244	18.9
183.08102	3.3
183.11673	5.4
184.08925	3.1
185.09496	3.6
185.13321	4.3
187.11229	9.5
187.14850	2.8
189.12738	26.9
191.14273	14.4
192.11507	5.9
193.12270	7.5
194.10873	3.0
195.11650	5.6
197.09708	3.2
197.13153	3.3
199.11180	15.3
199.14888	5.2
201.12785	6.2
202.13504	3.0
203.14351	10.4
207.13797	97.3
209.13292	6.8
209.15401	26.8
211.11266	5.0
211.13307	13.2
211.15041	2.7
213.12743	5.7
221.15292	3.5
227.14317	5.2
231.13797	81.3
251.16437	5.4
257.15387	7.3
259.16980	6.6
286.19455	2.8
287.20148	5.6
295.39386	2.8
329.21216	8.8
349.17017	3.6
351.19608	3.7
389.24710	5.3
407.21704	1.5
407.25803	87.3
421.27267	7.5
439.28485	100.0
439.34671	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	439.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01857	6.2
55.05503	10.9
57.03433	4.6
57.07063	10.0
59.04999	8.0
61.02911	5.9
67.05513	19.4
69.03423	7.6
69.07053	11.0
69.86436	10.5
71.04986	10.3
79.05496	33.2
81.03417	3.5
81.07063	58.4
83.04970	9.0
85.06544	10.4
91.05486	30.1
93.07047	54.9
95.04969	50.6
95.08632	21.4
97.06529	9.1
103.05498	4.3
105.07044	46.4
107.04947	4.2
107.08588	32.3
108.05742	3.5
109.06549	18.0
109.10174	8.2
111.08086	41.4
115.05453	4.2
117.07016	11.8
119.08600	29.2
121.06496	21.1
121.10123	16.7
122.07331	4.2
123.08080	67.5
123.11689	4.0
125.05997	12.1
125.09624	3.3
128.06223	9.7
129.06998	10.1
130.07765	4.5
131.08574	17.7
133.06488	12.4
133.10146	28.2
135.08060	15.9
135.11703	14.5
137.09586	10.9
139.07594	16.0
141.06956	6.4
142.07787	7.2
143.08595	28.0
144.09361	7.0
145.10165	20.3
147.08018	8.0
147.11696	9.6
148.08856	4.2
149.09602	15.9
149.13252	3.8
151.07561	88.8
153.09129	19.3
155.08559	6.3
156.09349	11.5
157.10135	17.7
158.07281	3.8
159.08041	8.4
159.11723	11.9
161.09641	16.1
161.13277	3.0
163.11185	24.6
165.07024	5.2
165.09113	4.4
167.08585	4.8
169.10136	9.7
171.07898	3.4
171.11693	21.8
172.08690	2.9
173.09630	9.2
173.13271	12.9
174.10457	3.0
175.11197	7.8
177.09102	3.0
179.08566	3.5
179.10727	4.9
181.10124	9.8
181.12234	16.1
183.11699	6.2
185.09604	4.9
185.13185	5.2
187.11211	6.9
188.12001	2.9
189.12756	20.0
191.10641	3.1
191.14249	8.0
192.11430	6.6
193.10133	3.2
193.12233	5.0
195.11801	4.3
197.13251	3.6
199.11183	12.4
201.12756	5.3
203.14339	10.5
207.13803	100.0
209.13403	4.9
209.15376	23.8
211.11430	4.5
211.13290	15.5
211.15004	3.8
213.12820	3.1
221.13452	4.3
221.15395	6.4
227.14308	4.2
231.12083	2.6
231.13832	67.6
251.16516	4.7
257.15512	4.6
275.20233	3.7
277.18137	3.6
287.20157	6.9
329.21103	7.4
368.42151	3.2
387.65564	2.8
389.24921	4.6
407.25839	90.5
421.27338	5.8
439.28421	88.7
439.34750	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	439.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.6
54.74097	6.5
55.01864	26.6
55.05515	71.8
55.64392	7.2
57.03437	37.7
65.03928	12.1
67.05515	85.3
69.03442	9.9
69.07060	28.4
70.06603	10.2
70.46793	14.0
70.47160	13.8
73.02939	10.2
79.05496	86.6
81.03413	17.5
81.07055	100.0
83.04975	21.3
83.08620	63.3
85.02915	7.8
85.06532	13.2
91.05473	65.9
93.07049	86.8
95.04979	52.5
95.08606	60.6
97.06536	18.3
97.10142	10.2
105.07042	56.3
107.04967	32.5
107.08584	52.0
108.58415	6.2
108.90710	7.7
109.06519	22.1
109.10146	32.9
111.08092	17.9
116.04681	7.4
117.07026	33.8
119.08574	61.6
121.06499	21.9
121.10125	35.4
123.04485	7.2
123.08064	20.6
123.11691	12.4
125.09629	16.5
129.05472	37.9
129.07025	16.8
131.08601	34.3
133.06517	7.8
133.10139	45.8
135.08040	16.7
135.11714	23.6
137.09622	12.3
139.11241	8.8
143.08600	10.1
145.10149	51.3
147.04401	27.3
147.11676	25.9
148.04814	10.1
149.09628	42.2
151.11208	7.7
157.10118	10.2
159.11696	16.6
161.09384	8.9
161.10887	6.7
161.13324	7.5
163.11229	66.6
165.12747	26.1
169.10100	9.4
173.13243	10.1
187.11156	10.3
189.12776	8.0
193.12192	9.7
223.13255	8.2
239.17973	14.5
257.19006	21.2
266.56168	8.1
275.20056	75.0
285.97324	7.3
293.21097	7.2
349.23746	25.5
367.24600	11.5
439.22992	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.8
55.01877	22.7
55.05278	5.4
55.05515	77.2
57.03442	35.9
61.02906	3.9
65.03938	4.8
67.05511	100.0
69.03427	16.0
69.07072	37.4
69.20564	30.5
70.06580	3.4
71.04975	8.1
73.02899	11.0
73.60948	3.4
75.04475	4.7
79.05499	70.6
79.05948	2.7
81.03422	38.6
81.06596	5.5
81.07063	90.1
82.43394	3.5
83.05003	26.0
83.08157	5.4
83.08624	77.1
83.09116	4.7
84.57399	3.8
85.02895	13.3
85.06533	7.1
86.09739	3.9
91.05485	62.2
91.29395	3.6
93.06511	5.3
93.07055	68.6
95.04974	56.2
95.08611	62.3
97.02891	7.8
97.06541	24.6
97.10156	11.2
99.04449	4.4
99.08102	6.3
103.05442	7.3
105.07031	59.3
107.04961	30.9
107.08604	56.8
109.06551	19.4
109.10173	49.5
111.04446	8.2
111.08134	20.4
115.05412	4.5
116.04723	7.8
117.07008	22.3
119.08583	51.3
121.06505	17.2
121.10162	45.7
123.08063	17.7
123.11681	9.3
124.00012	3.4
125.05981	3.9
125.09630	16.3
129.05511	39.6
129.06995	11.4
130.07813	3.8
131.04941	4.2
131.08589	36.0
131.29141	3.7
133.06477	7.4
133.10136	56.6
135.08029	12.2
135.11688	19.5
137.09636	17.7
139.11189	4.9
141.06967	3.9
143.07007	10.5
143.08611	7.1
145.06500	7.2
145.10138	55.4
147.04425	14.2
147.08043	8.3
147.11705	33.2
148.04791	6.2
149.09628	55.1
149.13246	8.2
151.11142	12.0
155.08562	7.5
157.10107	8.7
159.08072	5.4
159.11684	27.4
161.09573	5.4
161.13301	4.3
163.11198	72.6
165.09105	4.5
165.12730	26.4
169.10062	5.1
171.11674	9.0
173.09650	7.1
173.11823	4.8
173.13251	13.3
175.11243	10.2
175.14777	5.2
177.12825	7.6
183.11749	11.0
185.11725	8.6
187.11192	7.3
189.11209	5.4
189.12744	5.7
191.14345	18.8
193.12265	13.2
197.11693	3.8
197.13362	6.5
201.12794	5.4
205.12398	4.5
211.13290	8.4
213.16614	4.2
223.13148	17.4
229.19550	8.4
239.18120	19.5
247.20448	5.5
257.19046	26.1
275.20090	90.0
293.21106	18.7
349.23706	39.5
350.24646	5.0
367.24738	8.5
395.24377	5.9
439.22916	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01872	2.9
55.05513	2.0
57.03440	6.3
61.02924	4.3
65.03941	1.8
67.05508	100.0
69.03432	14.4
69.07066	3.8
70.06591	8.7
71.01367	0.9
71.04998	1.6
71.11756	1.8
72.08150	3.8
73.02927	11.9
79.05488	1.8
81.03415	4.1
81.07046	6.2
84.04516	2.7
84.08143	4.3
85.02908	31.3
85.06560	1.2
85.83945	1.0
86.09701	8.4
87.04476	1.4
91.05481	1.5
94.06528	1.0
96.04530	1.0
97.02892	21.0
99.04456	2.6
103.03934	1.4
105.07024	1.2
107.08622	1.8
109.02900	3.1
109.10162	83.5
109.16067	1.0
110.07159	1.4
115.03951	7.4
120.08092	3.3
120.47274	1.0
123.04371	1.3
124.14185	0.9
126.05403	1.1
127.03930	10.7
127.11196	19.0
129.10255	2.7
133.04984	10.1
136.07594	1.1
145.04958	8.5
147.04436	2.0
159.04454	1.1
163.03949	2.4
163.06023	4.6
173.12932	1.2
193.05009	1.3
213.12451	1.0
223.06013	1.7
241.07063	1.7
258.02515	1.0
259.08160	2.5
439.10831	3.0
439.16571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.05521	5.0
56.05036	0.9
57.03439	2.5
57.07081	33.0
59.05000	2.7
61.02930	0.7
67.05507	9.0
69.03439	5.9
69.07071	10.2
69.43755	4.0
69.44170	1.1
70.06603	5.3
71.04996	2.3
71.08644	1.0
72.08167	4.9
73.02904	1.1
73.06563	6.7
79.05502	1.6
80.35075	0.7
81.03436	2.2
81.07065	30.6
83.08626	2.2
84.04516	1.2
84.08150	3.3
85.02912	10.6
85.06550	100.0
86.09716	2.9
87.00819	3.5
91.05493	3.3
94.06733	0.8
95.08614	22.9
97.02924	3.8
97.10165	4.6
99.04469	3.8
99.07495	1.5
99.08105	23.5
103.03973	4.2
105.01882	3.1
105.07072	1.0
107.08595	0.8
109.02894	2.5
109.06554	0.7
109.10162	1.3
111.11739	2.9
112.11282	1.2
119.04961	6.5
120.05288	3.4
120.08083	1.8
127.03934	8.0
129.10266	1.5
129.12807	1.1
130.06538	0.8
133.28616	0.7
136.07556	0.8
137.12186	1.4
137.13255	24.9
137.14255	1.4
145.04919	3.7
147.04422	29.5
148.04753	15.1
155.14316	66.9
159.02875	0.8
159.09239	1.3
163.06070	1.9
173.15378	21.9
177.04082	0.7
186.54848	0.7
191.16432	52.5
204.10207	9.8
205.10568	9.8
218.11852	1.4
231.05016	1.0
259.08252	0.9
275.91849	0.7
276.17819	0.8
291.07678	0.9
292.20129	1.3
293.20462	2.5
317.69583	0.9
365.91855	0.8
374.63309	0.7
439.10098	2.5
439.18823	1.3
439.24237	28.6
462.51938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.1
57.07079	75.1
59.61828	1.4
69.07059	5.7
69.27911	12.2
70.07984	1.2
71.08636	68.2
71.65058	1.1
73.06538	2.8
76.94018	1.6
83.08652	1.7
85.09666	2.0
85.10184	39.3
89.06036	100.0
94.70115	1.3
97.10201	3.3
99.09278	1.3
99.11737	5.4
111.11711	2.5
112.54478	1.3
113.13274	5.8
117.11105	1.4
125.13274	2.0
127.14864	2.8
132.89851	1.5
133.08609	57.7
140.82204	1.4
151.09660	3.9
177.11235	16.0
183.21101	2.0
184.80627	1.4
195.12271	2.9
221.13867	2.3
239.14917	58.3
250.51962	1.7
271.26468	2.3
315.28867	4.2
321.56293	1.7
377.32663	2.9
421.35242	73.2
422.35529	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
53.31905	1.0
55.05511	6.2
57.03437	1.3
57.07072	11.8
61.35768	1.0
65.81322	1.0
67.05496	3.5
69.03439	4.9
69.07055	3.9
70.06587	4.6
70.26015	0.9
71.05000	2.4
71.11739	1.9
72.08154	11.1
73.02905	1.6
73.06551	2.3
73.08491	1.9
79.05502	1.6
81.03410	4.0
81.07057	14.4
83.08585	1.3
84.08147	3.4
85.02440	1.6
85.02913	18.0
85.06546	27.3
86.09711	2.5
87.00816	2.1
91.05479	8.6
92.05809	1.5
95.08612	10.1
97.02891	5.7
97.10166	6.3
98.97598	2.4
99.04443	9.1
99.08106	12.6
100.39160	1.2
103.03311	1.7
103.03947	18.9
105.01914	1.3
109.02880	3.8
112.11235	4.0
113.11604	1.6
115.11194	2.5
119.04943	20.8
120.05289	6.9
120.08084	2.0
127.03919	22.8
129.13901	3.1
133.66649	0.9
136.22951	1.1
137.13249	11.3
138.16139	1.0
145.04977	12.0
145.07626	6.2
147.04420	95.5
147.17218	1.1
148.04755	49.6
155.14316	26.0
158.99715	1.6
163.06058	9.8
173.15355	9.0
191.16428	20.2
199.07571	1.1
204.10194	36.0
205.07179	1.2
205.10548	32.8
218.11768	1.7
219.01717	1.4
219.12103	2.9
258.10422	1.2
275.17422	1.8
276.17911	3.0
291.07449	2.7
292.20132	5.0
293.20477	9.3
307.10419	1.4
309.08585	4.3
355.11398	2.2
359.36285	1.2
368.26120	1.1
422.21204	1.8
439.11121	5.6
439.24246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2387
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
55.05517	0.2
58.06599	0.7
65.03924	0.6
69.07070	0.1
69.64576	0.2
69.64977	0.2
70.06571	0.2
72.08155	6.8
75.09245	0.4
79.21683	0.1
81.07074	0.1
84.08150	0.9
87.08975	0.1
87.11540	0.1
89.01849	0.1
89.10806	0.1
91.05480	6.0
93.07012	0.1
95.08604	0.1
98.06061	0.1
100.07614	0.1
101.10803	0.1
105.07014	0.1
107.04997	0.1
107.08583	0.1
109.10168	0.1
112.11240	2.6
117.07042	0.1
119.04941	17.6
119.08572	0.2
120.05255	0.1
121.06570	0.1
129.13875	1.5
146.06006	0.1
146.16496	0.8
147.04407	100.0
148.04749	0.8
154.84335	0.1
155.08546	0.1
155.11797	0.8
172.14465	0.4
176.10683	0.1
201.16365	0.1
202.16666	0.1
203.11818	1.5
204.10193	46.8
204.45415	0.1
205.10501	0.4
218.11761	5.2
220.97185	0.1
221.12846	0.8
235.14482	0.3
247.14441	0.1
274.19119	1.1
275.17520	3.5
276.17868	0.1
292.20178	10.1
293.20624	0.1
317.18802	0.1
318.18222	0.3
420.22949	0.7
421.21176	1.8
438.23862	60.9
439.24118	1.3
441.31445	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	438.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05090	0.5
51.80074	0.6
55.05505	1.2
56.15745	0.5
56.28126	0.5
57.03459	0.6
57.07088	5.4
58.06581	1.4
65.03938	1.6
67.05498	1.5
69.03445	0.9
69.07045	0.6
70.06596	13.0
71.08640	1.1
72.08158	1.5
79.05486	1.0
79.44582	0.6
81.03391	0.6
81.07049	1.9
84.08157	1.4
85.02917	1.2
85.10175	1.1
86.09660	0.6
88.07639	16.6
91.05479	2.0
93.07041	0.7
95.08601	0.8
98.21565	0.9
102.09185	12.8
105.06995	1.0
109.10135	1.6
119.04925	1.7
119.08582	1.1
121.02850	0.7
121.10116	0.8
139.03903	0.9
147.04424	11.8
149.02357	44.8
149.03406	2.2
153.01958	0.6
154.74866	0.6
193.04971	46.9
204.10255	5.1
225.09953	0.5
228.23239	40.5
229.23642	0.6
237.07591	60.4
292.20090	0.7
438.23849	5.1
438.28598	100.0
439.28516	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	438.2392
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
55.01866	0.4
57.03435	0.4
58.06596	0.6
65.03931	0.8
67.05505	0.5
69.03427	0.8
69.07072	0.5
70.06595	3.2
71.04994	0.4
71.52279	0.5
72.08154	6.0
73.02892	0.7
73.94624	0.4
81.03425	0.8
81.07060	0.4
84.08140	1.9
84.84771	0.4
85.02894	1.8
86.09702	4.9
91.05484	6.5
91.40926	0.4
93.07050	0.5
95.08614	0.4
97.02904	0.8
98.06017	0.6
99.04481	0.7
103.03927	1.1
107.08614	0.6
109.02859	0.7
109.10167	0.7
110.07166	0.5
112.11239	2.6
115.03883	0.5
119.04942	17.1
120.08121	0.8
125.00023	2.1
127.03930	2.1
129.10229	0.7
129.13889	1.7
145.04929	0.6
146.16489	0.7
147.04411	100.0
148.04773	0.7
155.11758	0.7
184.07350	11.9
200.82513	0.5
203.11838	1.0
204.10202	45.1
213.02505	0.4
218.11719	4.9
221.12880	1.0
274.19025	0.9
275.17535	3.6
292.20215	9.0
395.37589	0.4
420.22412	0.6
421.21136	1.2
438.23880	65.9
439.24008	1.5
442.78616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.239
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
50.33792	0.3
58.06604	0.5
63.55476	0.3
65.03936	0.8
68.56473	0.2
70.66212	0.9
72.08167	5.7
72.32707	0.3
84.08137	0.7
87.34097	0.3
91.04974	0.5
91.05490	5.8
112.11253	2.3
119.04956	18.0
129.13869	1.0
146.16553	0.7
147.04420	100.0
148.04796	0.9
155.11784	0.9
203.11833	0.8
204.10217	42.4
205.10535	0.6
218.11794	4.1
221.12964	0.8
274.19324	0.8
275.17590	3.2
292.20233	7.2
420.22971	0.5
421.21216	1.2
438.23923	71.0
439.24316	1.7
452.01453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01889	5.2
55.05498	4.6
56.05036	2.5
57.03431	1.5
57.07080	6.5
59.04984	1.2
60.04510	1.1
61.02929	1.9
67.05496	4.0
69.03429	8.0
69.07087	9.0
69.07436	1.7
69.48553	6.3
70.06596	10.7
70.99412	1.0
71.04993	3.4
72.08173	5.9
73.02914	11.2
79.05484	5.6
80.05032	1.3
81.03410	2.8
81.07055	10.4
82.05736	1.1
83.04962	0.9
83.08614	2.5
84.04505	6.8
84.08151	8.8
85.02912	18.4
85.06548	40.6
85.08472	0.9
86.09718	9.3
88.03983	1.6
91.05488	4.2
93.07050	7.0
95.04937	1.3
95.08604	4.2
96.04496	1.1
97.02892	3.2
97.06532	14.2
97.10188	5.9
98.06063	3.0
98.20770	2.1
99.04453	9.7
101.02385	42.2
102.05498	1.4
103.03921	2.4
105.07042	1.7
107.08570	3.7
108.04447	2.1
109.02868	3.6
109.10130	2.8
110.07149	3.4
111.04451	1.6
111.08064	1.1
113.06007	26.5
119.04913	2.6
119.08576	6.9
120.08102	7.3
121.10150	30.0
123.08089	2.6
123.11713	27.3
125.05999	98.1
125.09612	1.5
126.05524	6.1
126.06345	1.4
127.03929	5.2
127.07577	1.1
128.08220	1.0
129.09172	1.3
129.10231	4.1
133.10172	1.5
135.11693	3.4
136.07571	1.4
137.09607	2.2
139.11188	4.5
141.12746	49.2
144.06552	3.4
145.04968	2.9
145.10115	3.3
147.04419	10.9
147.09146	0.9
151.07576	1.8
153.12726	2.4
155.10663	2.3
159.09219	1.4
162.07645	2.0
163.05954	1.5
163.11197	14.3
165.49109	1.0
168.06616	1.3
173.11765	2.8
181.12247	70.2
195.13887	1.2
199.13264	5.8
204.10237	3.9
205.12111	1.2
223.13220	7.4
236.48380	1.1
241.14363	100.0
292.20078	1.0
317.87067	0.9
365.22128	1.2
366.22852	1.3
384.24008	1.7
402.24637	1.2
420.25760	2.0
422.60928	1.3
438.17368	1.0
438.24686	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	437.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78846	8.2
53.09054	8.9
55.05508	23.9
59.05000	44.9
67.05496	45.3
67.46543	7.2
69.07063	30.8
71.05004	13.1
75.04494	13.1
79.05493	55.4
81.07053	64.0
83.08620	9.8
85.06535	28.4
86.09710	40.8
89.06030	8.9
91.05505	54.8
93.07053	62.2
93.64704	8.4
95.04989	9.5
95.08075	8.8
95.08609	55.9
97.06482	8.5
99.08134	8.0
105.07047	100.0
107.04967	10.4
107.08600	54.0
109.06528	18.8
109.10150	35.0
111.08050	40.3
115.54318	7.9
117.06999	17.1
119.08604	88.6
120.83035	8.4
121.06549	9.6
121.10167	57.3
123.08069	33.5
125.09585	9.0
128.06236	25.3
129.06992	17.0
131.08542	29.3
133.10114	66.9
135.08055	26.8
135.11703	11.8
137.09641	18.1
141.07008	13.2
142.07809	38.1
143.08542	36.8
145.10133	52.8
147.11691	28.5
149.09654	18.6
151.11226	21.4
153.12772	7.9
154.07753	11.3
155.08571	12.7
156.09390	11.5
157.10133	69.5
158.10899	10.5
159.11700	24.5
161.09630	9.0
161.13260	13.7
163.11188	11.3
168.09361	11.7
169.10124	31.6
171.11748	25.3
173.13286	27.1
175.11197	22.7
177.12701	13.4
181.10126	16.7
182.11014	8.5
183.11702	21.6
185.09770	9.6
185.13216	13.6
187.11223	10.7
189.12706	17.0
191.14314	10.0
197.13301	22.1
199.14833	11.5
201.12737	22.7
206.10812	12.6
209.13251	14.4
211.14850	21.3
217.15863	11.1
253.19560	9.1
324.28027	21.1
372.23718	9.1
437.34164	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01863	0.7
55.05503	1.8
57.03454	0.7
59.05007	2.0
59.77301	0.4
63.46662	0.4
67.05499	1.2
69.03436	2.5
69.07063	1.9
69.15923	0.5
69.74868	0.4
70.06605	0.7
70.64471	1.3
70.64841	0.4
71.04998	12.9
71.27036	0.4
73.02926	0.6
73.06556	3.4
73.10330	0.4
79.05497	3.4
81.03406	1.2
81.07060	16.7
83.04987	0.4
83.08615	0.9
84.08145	0.7
85.02914	5.6
86.09717	0.7
87.00847	2.1
91.05476	1.9
93.06491	0.6
93.07051	12.2
95.05002	0.4
95.08623	3.1
97.02870	2.0
97.06542	1.0
99.04468	1.0
100.11252	1.5
103.03951	0.9
105.01868	3.1
105.07018	1.3
107.08601	8.9
109.02882	1.5
109.10171	2.4
110.07185	0.8
111.04443	0.7
111.08085	0.8
119.08575	0.8
120.08084	1.1
123.04372	0.6
127.03930	3.8
129.10336	0.5
135.11699	21.3
136.12085	0.4
145.04965	1.0
147.04407	0.4
153.12750	100.0
154.13107	0.8
155.11847	0.6
159.02817	0.5
161.09647	0.6
182.15414	0.8
184.07291	0.5
191.03444	1.2
210.14908	0.9
216.09517	0.4
231.05066	0.5
267.61746	0.4
271.04993	0.5
283.10931	0.4
343.08780	0.5
436.22403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50964	0.6
53.03951	1.0
55.01880	0.7
55.05506	2.3
57.03441	0.9
57.07071	2.5
58.85615	0.6
59.05009	0.6
62.96289	0.6
66.13126	0.6
67.05515	6.9
69.03434	1.6
69.07066	1.5
70.06592	2.0
71.04984	2.4
72.26705	0.6
79.05499	6.4
81.07066	8.4
83.04969	1.6
85.06527	1.5
88.07635	2.0
91.05490	7.8
93.07058	10.8
95.04996	3.9
95.08620	6.1
97.06516	1.7
98.20718	1.3
102.09181	1.8
103.05498	0.8
105.07042	13.1
107.04948	0.8
107.08616	5.1
109.06526	100.0
109.10168	3.7
111.08099	1.9
115.05424	1.0
117.07013	3.2
119.08592	10.8
121.06507	1.7
121.10162	6.0
121.61688	0.6
123.08088	8.5
128.06230	2.3
129.06996	3.0
130.07802	1.1
131.08583	5.3
133.06509	1.1
133.10133	8.2
135.08061	5.3
135.11716	1.4
137.09625	2.8
139.07550	0.8
141.07021	1.3
142.07750	3.4
143.08577	7.7
144.09360	1.3
145.06557	0.8
145.10101	6.5
147.08034	4.9
147.11755	0.9
149.02319	1.9
149.09671	2.9
151.07559	9.9
153.07001	0.8
153.09119	1.7
154.07867	1.0
155.08556	3.9
156.09341	2.5
157.10143	7.4
159.08110	1.2
159.11725	2.9
161.09697	3.3
162.03102	3.7
162.11307	0.7
163.11188	2.4
165.07018	1.4
165.09135	3.3
167.08557	1.4
168.09337	1.7
169.10158	6.4
170.00821	0.6
171.11682	3.7
173.09653	1.6
173.13318	1.8
175.11234	2.2
177.09149	1.4
179.08641	1.2
179.10701	1.4
181.10126	1.7
181.12119	0.8
182.10939	1.3
183.11711	4.8
184.04442	4.3
185.09627	0.8
185.13271	2.1
187.11227	1.5
189.12791	3.6
191.14311	2.0
193.04971	2.9
193.10146	1.7
194.10922	0.8
195.10265	1.1
195.11755	2.7
197.09720	0.8
197.13223	3.9
199.11240	1.1
199.14886	0.8
201.12743	3.0
203.14366	2.2
206.05746	4.4
207.11885	1.5
207.13837	4.3
209.11478	0.7
209.13292	2.8
209.15373	2.1
211.11342	1.0
211.14845	1.2
213.12932	1.0
213.16426	1.2
215.14404	1.1
221.13423	1.5
221.15401	5.3
225.12758	1.3
227.14412	3.8
233.15382	1.6
235.14780	0.9
253.16013	1.0
255.17490	1.9
256.26352	2.8
265.12485	0.7
279.17792	0.8
285.18530	0.8
286.19373	2.1
300.20993	1.3
312.20950	3.0
320.67834	4.3
343.22833	4.8
385.09192	1.7
417.27847	2.5
435.29193	36.9
435.80127	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01877	0.5
55.05510	1.4
56.66573	0.3
57.03414	0.6
57.07079	1.0
59.05015	0.4
59.88334	0.3
65.03945	0.5
67.05508	5.1
69.03426	0.7
69.07059	1.1
71.04990	1.3
75.00926	0.4
79.05509	4.3
81.07057	5.3
83.04983	0.9
83.08638	0.5
85.06544	1.1
91.05488	5.1
93.07047	6.7
95.04971	2.3
95.08626	3.0
97.06561	1.0
98.20792	0.7
101.48942	0.3
105.07037	7.6
107.08599	4.3
109.06528	100.0
109.10173	2.4
110.06857	0.6
111.08079	1.5
115.05462	0.7
116.08254	0.4
117.07034	1.6
119.08590	5.7
121.06524	1.0
121.10146	3.2
123.08076	4.1
125.05985	0.5
127.66084	0.4
128.06232	1.5
129.06992	1.8
130.07802	0.5
131.08591	4.1
133.06514	1.1
133.10139	3.4
135.08078	2.7
135.11676	0.9
137.09673	2.2
141.06946	0.8
142.07809	1.9
143.08560	4.0
144.09352	0.7
145.10141	4.3
147.08052	2.7
147.11708	1.4
148.82848	0.4
149.09641	1.4
151.07550	5.3
153.07040	0.5
153.09142	1.7
154.07776	0.4
155.08553	1.7
156.09331	1.5
157.10149	5.2
158.10930	0.8
159.08031	1.2
159.11728	2.5
161.09610	2.5
161.13307	0.9
163.11200	1.1
163.99307	0.4
165.06969	0.7
165.09100	2.3
167.08601	1.1
168.09369	1.2
169.10150	4.2
171.11682	3.2
173.09669	0.7
173.11969	0.4
173.13309	1.2
175.11235	0.8
175.14786	0.5
177.09145	0.5
179.08665	0.6
181.10118	1.3
182.10970	0.8
183.11691	3.5
185.09656	0.6
185.13268	2.1
187.11191	0.8
189.12659	2.2
191.08810	0.4
191.14368	1.3
192.09312	0.4
193.10211	0.5
194.10980	0.9
195.10133	1.2
195.11737	1.3
196.12469	0.4
197.09610	0.5
197.11737	0.4
197.13269	2.2
199.11217	0.5
201.12741	1.5
203.14346	0.8
207.11726	1.0
207.13860	2.5
208.12444	0.5
209.13271	2.3
209.15381	1.9
211.11205	0.5
211.14838	0.5
213.12674	0.8
213.16408	0.4
215.14369	0.5
221.13356	0.7
221.15372	3.9
225.12772	0.9
227.14368	3.9
233.15315	1.0
237.16512	0.6
251.16338	0.4
255.17569	0.7
271.17068	0.4
279.17572	0.4
283.17169	0.5
285.18661	0.4
286.19272	1.2
297.18372	0.5
300.20898	0.7
312.20859	1.6
329.20895	0.4
343.22668	2.4
345.77057	0.4
417.28104	1.4
435.28857	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	435.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.3
53.16071	2.0
55.01871	3.6
55.05517	22.3
57.03447	2.5
57.07085	3.3
59.04987	2.7
65.03924	3.5
67.05505	29.7
69.03436	29.2
69.07072	15.4
71.04981	6.8
71.25858	4.9
74.01691	2.7
79.05496	27.2
81.07059	42.1
82.92318	2.8
83.04988	27.7
83.08615	28.0
85.02906	2.7
85.06525	3.5
88.19112	2.4
91.05482	33.0
91.63821	1.9
93.07050	32.6
95.04975	19.8
95.08614	26.6
97.06525	8.7
97.10174	4.8
98.98484	17.5
99.08144	2.7
105.07030	47.0
107.08601	100.0
109.06521	95.3
109.10160	29.9
111.08085	7.2
113.09646	3.1
115.05435	2.9
117.07024	9.8
119.04959	2.1
119.08591	39.0
121.06494	9.3
121.10134	18.2
123.08081	10.4
123.11694	18.6
125.09636	42.3
128.06226	9.1
129.07018	14.1
130.07768	4.5
131.08606	19.0
133.06491	6.6
133.10127	16.9
135.08055	20.0
135.11697	4.2
137.09621	5.3
139.11191	3.9
141.06973	5.7
142.07793	10.2
143.08574	23.9
144.09369	4.3
145.06433	2.7
145.10117	29.5
147.08037	10.3
147.11671	6.6
149.09642	7.0
149.13258	4.7
151.11166	5.5
153.07025	3.4
154.07748	2.7
155.01045	14.8
155.07410	2.5
155.08528	14.3
155.10617	2.6
156.09326	7.1
157.10118	23.6
159.08034	15.4
159.11736	12.7
161.09636	8.8
161.13156	2.4
163.11163	6.7
165.06946	5.1
167.08557	6.7
167.10689	6.4
167.14326	9.3
168.09409	4.7
169.10118	23.0
169.12239	4.8
170.10931	4.8
171.08047	4.5
171.11679	13.3
172.08722	2.4
173.02003	2.2
173.09634	7.3
173.13257	7.2
175.11119	13.3
175.14851	2.5
177.12802	3.6
178.07736	2.2
179.08539	6.2
179.14386	2.6
180.09341	5.7
181.10123	12.6
182.10838	3.2
183.11673	14.6
185.09595	3.9
185.13239	4.5
187.11261	6.4
189.12859	2.5
191.14275	3.3
192.09323	3.1
193.10161	5.8
194.10881	6.5
195.11711	22.3
196.12450	3.3
197.09630	3.2
197.13295	10.2
199.11203	4.5
199.14931	6.5
200.80481	2.3
201.12654	5.3
203.14362	4.0
205.10252	3.3
206.10899	4.6
207.11673	10.5
207.13533	2.9
208.12553	2.9
209.09389	2.4
209.13232	19.0
209.15372	10.5
210.13969	2.5
211.11201	6.5
211.14836	17.6
212.11948	2.2
213.12766	8.2
215.14253	2.8
219.11649	3.4
220.12619	4.6
221.13304	8.3
221.15413	2.9
223.14871	5.2
225.12715	3.4
225.16437	3.2
227.14284	5.3
233.13297	4.9
235.14778	9.8
235.16895	4.6
237.12679	5.3
237.16370	3.3
241.15953	3.7
245.15518	2.4
245.22615	3.9
247.14764	3.4
249.16422	6.0
251.14297	4.7
253.15863	17.9
259.14658	3.4
263.17966	2.8
263.23743	12.4
267.17392	4.1
293.18994	4.3
299.20129	5.2
311.19980	5.3
335.23758	2.7
337.27484	12.1
343.22696	4.2
351.23157	3.5
377.24875	4.4
393.27753	4.2
399.25806	2.3
417.27722	3.4
435.28656	44.8
446.77716	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	435.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01849	1.6
55.05514	6.1
57.03421	1.3
57.07058	3.5
59.04994	2.5
65.03941	1.6
66.58487	1.0
67.05511	21.3
69.03430	3.3
69.07051	4.3
71.04977	4.0
71.51945	0.9
79.05499	14.4
81.03403	1.7
81.07060	16.9
83.04951	2.3
83.08601	2.8
85.06524	3.1
91.04943	0.9
91.05479	17.3
93.06493	1.3
93.07052	21.2
95.04983	5.5
95.08064	1.3
95.08617	15.1
97.06514	1.4
105.07037	25.8
106.07812	1.3
107.04920	0.9
107.08604	14.0
109.06525	100.0
109.10165	12.3
110.06825	1.0
111.08071	3.8
115.05458	1.2
116.06248	1.1
117.07019	6.6
119.08591	19.8
121.06465	3.2
121.10137	10.8
123.08075	11.7
123.11694	1.4
125.09567	1.1
128.06215	3.6
129.07004	7.2
130.07774	2.4
131.08569	12.3
133.06468	3.2
133.10152	14.9
135.08064	8.8
135.11650	4.3
137.05974	1.2
137.09610	4.7
141.06970	2.9
142.07823	5.4
143.08566	11.7
144.09311	1.8
145.10153	13.7
147.08047	7.1
147.11685	6.2
149.09615	4.5
151.07559	24.1
153.07057	1.4
153.09082	2.8
155.08557	6.9
156.09322	4.2
157.10146	14.9
158.10890	1.5
159.08080	2.3
159.11710	8.5
161.09647	8.5
161.13261	2.4
163.11163	4.4
165.07076	1.4
165.09076	7.6
167.08539	3.9
167.10693	1.7
168.09312	3.9
169.10107	11.8
171.11649	9.7
173.09586	2.5
173.11795	2.3
173.13293	3.3
175.11168	2.7
177.09032	1.3
179.08534	2.7
180.09328	1.6
181.10124	3.5
181.12119	1.1
182.10953	5.0
183.11714	12.7
185.09587	1.3
185.13266	6.0
187.11147	3.1
189.12778	7.9
191.14278	3.0
193.10089	2.7
195.10152	1.7
195.11740	5.1
197.13249	12.3
199.11209	2.8
201.12650	2.9
203.14293	4.9
206.10844	1.1
207.11696	2.8
207.13774	7.8
208.12274	1.1
209.13213	4.9
209.15355	3.3
211.11299	1.4
211.14847	2.8
212.15613	2.0
213.12755	3.5
213.16359	2.4
215.14183	2.0
221.13365	1.6
221.15367	13.6
225.12775	2.2
227.14377	6.3
233.15326	2.4
235.14740	1.4
237.16403	1.5
247.14867	1.4
253.15800	1.6
255.17534	6.8
267.17447	1.1
271.17038	1.3
285.18472	1.6
286.19174	7.6
300.20789	1.9
312.20834	3.4
313.03568	1.1
343.22812	4.8
355.22754	1.9
367.48483	1.2
390.00974	1.2
409.18558	1.0
417.27707	6.4
424.22818	1.2
435.28528	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2745
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.02392	1.2
53.03955	4.9
55.01884	1.4
55.05513	13.5
57.03438	3.0
57.07069	1.4
59.04997	3.1
62.44383	0.8
65.03950	4.2
67.05510	100.0
68.05852	0.8
69.03428	1.2
69.07080	6.1
70.03487	3.1
71.05008	3.6
73.06586	1.0
74.78761	0.7
77.03926	0.9
79.05500	38.7
81.03435	4.1
81.07063	32.2
83.04985	6.3
83.08631	6.3
85.02884	0.9
85.06554	2.7
88.75370	0.7
91.05489	32.1
93.07053	31.4
95.04983	9.3
95.08613	18.0
97.06550	3.0
97.10192	2.2
105.04498	1.4
105.07041	21.1
107.04979	2.6
107.08611	9.6
109.06503	4.5
109.10166	58.8
110.94935	0.7
111.08112	2.6
112.85530	0.7
117.07034	4.8
119.08595	15.3
121.06528	2.3
121.10148	2.1
123.08100	2.5
128.06213	1.7
129.07028	8.2
131.08612	1.6
133.10143	4.8
135.08040	1.3
135.11739	1.0
137.09625	3.0
143.08589	5.0
145.10107	5.2
147.08054	1.7
147.11694	18.9
151.07616	1.0
155.10696	5.7
161.09654	2.9
161.13280	5.8
163.11205	1.5
171.11708	12.6
173.11755	15.3
189.12770	6.2
207.13817	17.6
225.14853	2.5
281.17493	1.1
309.16913	0.9
417.26068	1.0
435.27478	72.7
436.27829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1289
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
52.88232	0.5
55.01879	1.1
57.03428	1.4
67.01864	0.6
68.05012	0.8
68.99782	0.9
69.03414	2.6
69.07069	0.9
70.06600	3.2
70.35764	0.6
70.36107	1.7
71.04986	0.6
72.08158	1.3
73.02908	1.3
79.05473	0.7
79.67751	0.5
81.03397	1.5
81.07053	1.1
83.04976	0.8
83.08626	0.5
84.08149	2.8
85.02913	6.6
85.06538	0.6
86.06071	1.4
86.09708	4.0
91.05489	2.8
95.04981	1.4
95.08610	1.4
97.02895	2.5
107.04949	1.7
107.08578	0.8
109.02872	1.0
109.10149	1.4
110.07169	0.9
111.00802	0.5
119.04942	8.7
119.08545	0.6
120.08094	1.3
120.34566	0.5
121.02882	2.0
121.06505	1.0
123.04449	4.2
127.03900	1.7
129.10228	1.5
141.01839	0.5
145.04967	1.0
147.04419	30.5
149.05952	0.6
149.50078	0.5
151.03876	1.3
151.11188	0.8
153.01834	59.1
163.03903	1.9
163.07509	0.5
165.01863	7.0
167.06985	0.7
171.02879	2.1
177.01859	1.8
179.03447	1.3
183.02820	2.7
186.14732	0.5
187.03827	0.6
189.01884	0.6
189.05455	0.9
191.03424	3.3
195.02904	15.0
200.76146	0.5
202.12836	0.5
203.03397	0.6
207.02916	0.6
215.03349	0.6
219.02925	5.7
231.02908	3.0
243.02893	1.5
249.04001	1.4
261.03964	3.3
271.06082	1.0
273.07584	100.0
274.07822	1.5
279.04889	1.1
285.07593	4.6
297.07428	1.9
303.05042	4.6
307.38373	0.5
315.08688	3.1
325.07315	0.5
339.08694	4.9
351.08618	2.1
363.08804	1.0
369.09753	1.4
381.09665	2.0
399.10916	2.8
417.11874	1.1
435.14069	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	435.1285
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
54.52282	0.5
54.77061	0.4
55.05504	0.5
56.05014	0.5
56.74191	0.5
57.03427	1.8
67.01870	0.7
67.05498	1.3
68.45860	0.6
68.99785	0.7
69.03429	1.5
70.06586	2.5
71.05002	0.9
71.52341	0.8
72.08140	1.1
79.05495	1.0
81.03407	1.7
81.07059	1.0
83.04953	0.8
83.08591	0.9
84.04488	0.7
84.08160	2.5
84.08617	0.5
85.02525	0.5
85.02918	5.7
86.06074	0.6
86.09722	3.2
91.05500	3.8
93.07038	0.8
95.04953	1.6
95.08627	1.1
97.02888	2.2
97.06517	0.8
99.04465	0.6
105.01796	0.5
105.07033	1.2
107.04974	1.5
107.08522	0.7
108.08885	0.6
109.02878	1.2
109.10158	0.9
111.00796	0.5
111.09277	0.5
119.04939	8.8
119.08554	1.0
120.08125	1.3
121.02863	1.9
121.06512	0.5
123.04441	6.1
125.02332	0.6
127.03917	1.7
129.10243	0.8
133.10172	0.7
135.04414	0.5
136.07578	0.6
137.49852	0.5
145.05017	0.7
145.10135	0.6
147.04417	33.5
149.02330	1.0
151.03946	1.0
153.01833	59.9
163.03874	1.3
165.01851	6.9
171.02849	2.9
177.01852	2.3
179.03362	0.6
181.05019	0.8
183.02916	2.8
189.01810	0.6
189.05504	0.7
191.03458	2.9
195.02899	13.2
203.03400	0.7
207.02945	0.7
219.02913	5.7
231.02863	3.0
231.06624	0.6
233.04492	0.8
243.02872	1.0
249.03983	1.7
261.03964	3.1
271.05978	1.1
272.06387	1.0
273.07581	100.0
274.07907	0.9
279.05096	0.9
285.07611	5.2
297.07608	1.9
303.05020	4.1
315.08746	2.8
325.07202	1.0
339.08746	4.4
351.08685	1.9
363.08588	0.8
369.09680	1.1
381.09665	2.3
399.10635	2.3
417.11850	0.7
435.14285	1.2
435.25720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0926
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01875	0.3
57.03426	0.8
59.05008	0.2
61.02932	1.5
68.99787	0.6
69.03425	0.3
70.84771	0.4
71.01335	0.5
73.02921	14.1
84.04472	0.2
85.02905	0.6
85.98527	0.2
91.05478	0.6
95.04967	0.4
97.02915	0.2
99.08076	0.2
105.65469	0.2
109.02853	0.5
109.10148	0.2
111.00808	0.9
111.04497	0.2
115.03931	1.1
121.02851	0.8
127.03902	0.4
127.11147	0.3
127.85751	0.2
135.04393	0.3
137.02357	3.1
137.03365	0.2
145.06520	0.2
149.02373	0.5
153.01814	3.4
161.05994	0.3
163.03894	0.4
165.01852	2.1
166.02553	0.3
173.06007	0.3
183.02914	0.7
183.04372	0.2
187.03857	0.5
191.03366	0.2
195.02852	0.3
201.05495	1.9
213.05553	0.3
219.02940	0.2
219.06506	0.3
229.04968	4.2
247.06013	0.6
255.06522	0.2
257.04428	2.3
274.04688	0.8
275.05627	0.2
285.03979	1.1
303.04996	100.0
304.05365	1.2
338.21152	0.2
369.05792	0.2
450.87369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03938	3.7
55.01853	1.5
55.05515	10.4
57.03440	12.7
57.07077	3.0
57.42354	1.4
61.37323	1.3
65.03923	2.9
67.05509	48.6
69.07076	11.7
70.96480	1.3
71.04983	3.5
71.61771	1.2
74.67425	1.3
75.04504	2.1
78.04523	1.2
79.05499	30.5
80.62240	1.3
81.07063	57.2
83.04975	1.7
83.08628	6.0
85.06532	2.3
90.74168	1.2
91.05486	18.5
93.07053	36.8
95.04978	4.6
95.08609	43.2
97.06532	2.7
97.10203	2.6
98.20771	2.3
98.98475	74.6
105.07036	15.4
107.08595	27.3
108.41946	1.4
109.06520	8.0
109.10164	20.0
109.41481	1.7
111.08054	1.4
113.09636	1.6
117.07008	5.4
119.08582	11.2
119.44599	1.3
121.10141	22.6
123.08040	2.5
123.11722	8.9
131.08578	12.1
133.10138	12.2
135.08101	2.5
135.11705	14.9
137.09703	1.5
137.13258	3.8
140.01091	1.3
142.07877	1.4
143.08636	1.8
145.10133	12.1
147.08107	2.0
147.11736	6.4
149.09567	2.0
149.13260	11.1
151.07512	1.8
155.01044	10.5
157.10127	2.9
159.11653	7.1
161.13264	5.1
163.14844	7.0
169.10239	1.4
171.11739	3.1
173.02155	11.4
173.13278	7.3
175.14789	2.6
177.12706	1.3
177.16525	3.3
181.10158	2.1
183.11670	1.9
187.14827	4.2
193.10130	2.9
195.26228	1.6
205.15739	1.6
207.11824	1.6
209.13339	2.2
221.13237	1.7
233.22662	1.9
243.21100	13.5
261.22165	45.3
290.93811	1.3
291.23206	1.8
317.24756	9.9
335.25818	100.0
335.69232	1.3
336.26175	1.9
341.20746	1.8
345.13507	1.4
350.67542	1.4
394.77930	1.5
415.22076	2.1
433.27359	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	433.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42303	0.3
56.05025	0.4
60.43317	0.3
69.03424	0.7
70.06598	2.2
71.10361	0.7
72.08158	2.4
74.06081	0.5
75.22371	0.3
77.29697	0.3
81.03413	0.7
84.04499	0.6
84.08148	1.0
85.02905	2.6
86.09706	2.4
91.05491	0.4
97.02887	0.9
99.04453	1.1
103.03941	0.9
109.02880	1.2
110.07160	0.5
111.53793	0.3
116.07180	0.3
119.04948	0.7
120.08157	0.4
127.03922	30.2
127.08749	0.5
129.10286	0.7
130.64153	0.4
145.04903	0.8
147.04434	0.9
159.09117	0.5
181.05060	0.4
185.04282	0.4
187.08202	0.4
201.12297	0.5
224.93808	0.4
245.04605	0.4
261.89050	0.3
271.06088	0.5
289.12604	3.7
296.19571	0.4
316.04541	0.3
331.12766	1.2
338.59940	0.4
371.16785	8.4
373.14743	4.0
415.15518	0.6
421.14594	0.4
433.16843	100.0
434.17123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
52.02761	0.1
53.03955	0.8
55.01865	0.2
61.02934	0.2
64.40717	0.2
66.46320	0.1
69.03434	1.9
69.59096	0.2
70.06593	0.4
71.02721	0.2
71.03047	0.3
71.04981	0.5
72.08195	0.2
73.02917	0.7
77.16692	0.2
77.84232	0.2
81.03426	2.4
81.24345	0.2
83.05030	0.2
85.02914	5.4
86.09716	0.5
97.02902	3.2
99.04466	3.5
100.49043	0.2
103.03960	4.5
103.54762	0.2
109.02897	2.3
110.07214	0.2
121.21075	0.2
127.03930	100.0
128.04279	0.3
130.27446	0.2
135.57738	0.2
145.04970	4.1
163.06050	0.7
169.04948	0.4
187.06003	1.0
205.07124	0.2
220.14586	0.2
230.09398	0.2
271.08121	0.8
289.08844	0.2
433.12463	0.4
433.17404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01863	1.8
55.05503	0.6
55.68999	0.4
56.05021	0.4
57.03457	0.8
60.04512	0.5
61.02915	1.2
65.03915	0.5
67.05499	0.9
68.99788	0.9
69.03426	5.0
69.07062	0.9
70.06595	4.4
71.04997	0.6
71.52366	0.4
72.08150	2.0
73.02909	1.2
73.38454	0.4
76.09326	0.4
81.03419	4.5
81.07056	1.0
82.04178	0.6
84.04494	1.2
84.08139	3.1
85.02904	9.6
86.09692	2.5
87.00835	3.0
91.05478	1.4
93.07058	1.0
95.01315	1.8
95.04951	1.2
95.08588	0.6
97.02889	5.0
97.06517	0.9
99.04453	2.4
100.00481	0.5
103.03888	0.6
105.01870	2.6
105.07020	1.8
107.08620	0.6
109.02872	5.1
109.06517	0.6
109.10178	0.6
110.03677	6.8
111.04440	1.4
111.08073	0.6
113.05994	0.5
116.07109	0.7
117.01828	0.5
119.04919	0.5
119.08552	1.0
120.08102	1.9
121.06483	0.8
121.10160	0.5
123.04421	1.1
125.05996	28.3
127.03931	8.0
129.01860	0.6
129.10294	0.9
133.10101	0.4
135.04413	0.5
136.07578	1.6
137.05975	0.5
138.03123	0.5
139.03911	5.1
145.04970	2.7
147.02951	0.4
147.04370	1.1
147.11630	0.7
151.03897	0.7
153.05470	49.1
154.06258	16.9
155.03389	1.2
155.07083	0.7
159.02898	2.1
166.06290	0.6
167.07056	1.6
169.04930	0.8
170.05775	5.8
171.06499	0.6
173.13057	0.5
178.06241	1.7
179.03435	0.5
184.07378	1.0
185.08096	100.0
186.08556	0.7
187.06172	0.5
189.04031	0.5
194.05833	0.8
209.08089	4.5
211.13202	0.5
217.12315	0.7
221.08141	1.1
227.09221	2.5
231.05040	0.8
235.13370	1.2
236.06731	2.4
251.09166	1.9
253.14352	1.5
265.10797	0.4
266.58362	0.4
271.15137	0.5
275.09256	2.0
293.10114	2.7
317.08389	1.1
366.31119	0.4
433.10898	0.7
433.16278	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	433.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01864	0.2
55.05511	0.3
56.05020	0.2
57.03447	0.3
61.02928	0.3
69.03432	1.9
69.49837	0.9
69.50242	0.4
70.06587	0.9
71.04995	0.5
72.08154	1.7
73.02898	0.3
79.05456	0.2
81.03427	2.8
84.04525	0.4
84.08144	1.1
85.02906	5.9
86.09710	1.1
91.05477	0.2
91.71561	0.2
94.00762	0.2
97.02902	4.0
98.21441	0.4
99.04459	4.1
102.05547	0.2
103.03950	5.1
109.02877	2.9
116.07172	0.2
120.08115	0.3
127.03923	100.0
128.04253	0.5
129.10248	0.7
145.04974	3.8
147.04390	0.3
160.05048	0.4
163.03947	0.2
163.06038	1.0
169.04846	0.2
182.87439	0.2
187.06018	1.0
193.10028	0.2
205.07117	0.3
222.72000	0.2
271.08212	0.9
373.14853	0.3
433.17206	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	433.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19093	1.3
53.03946	4.4
55.01865	6.6
55.05510	11.8
57.07066	1.8
62.82911	1.5
67.05508	17.1
69.07066	4.3
69.78996	3.2
69.79411	6.1
70.80025	1.5
76.01250	1.3
79.05495	22.0
80.06278	3.3
81.03414	11.2
81.06603	1.6
81.07054	21.7
82.04205	3.6
83.04961	6.3
83.08601	2.0
84.05766	2.9
85.06527	1.4
91.05480	22.3
92.06264	3.7
93.07043	17.4
94.04180	5.1
94.07829	3.8
95.04967	80.4
95.08611	12.7
96.05788	8.5
96.09438	1.6
97.06532	4.8
98.07293	6.4
103.05453	3.1
105.07050	18.4
106.07812	6.1
107.04955	100.0
107.08600	11.4
108.05749	9.4
108.09386	2.0
109.06521	22.5
109.10155	3.0
110.07306	55.3
110.10873	1.4
111.08069	4.7
115.05445	2.4
115.07579	1.6
117.07017	20.9
118.07742	1.5
119.04955	3.1
119.08593	12.8
120.09415	2.1
121.06514	19.1
121.10135	9.5
122.07300	14.5
123.07205	2.6
123.08073	37.4
123.11660	2.6
124.08817	4.1
129.06979	5.3
131.08562	25.0
132.09317	5.9
133.06520	20.1
133.10127	8.6
134.07237	2.2
134.10916	3.5
135.08049	16.3
135.11673	2.3
136.08795	6.8
143.08545	2.8
145.06491	4.5
145.10110	17.9
146.10905	32.5
147.08040	21.9
147.11667	5.8
148.08853	11.5
149.09624	68.2
150.10390	6.2
151.11224	2.8
152.11911	2.1
157.06512	2.1
157.10132	3.2
159.08046	3.0
159.11720	14.8
160.12616	1.8
161.09618	7.3
162.10365	3.2
163.11201	12.9
164.11935	7.0
165.12718	1.7
171.11810	1.5
173.13199	3.4
174.00632	1.4
174.14012	1.8
175.11169	4.1
176.11952	1.9
177.12769	4.7
178.13460	2.2
185.13237	2.2
187.11089	2.7
187.14781	1.7
189.12726	2.1
190.13516	1.7
191.14262	2.1
195.52640	1.5
196.27713	1.6
199.11108	1.7
201.16380	1.6
209.13283	1.6
213.12787	1.5
217.15851	6.6
222.96178	1.7
227.14297	8.0
231.17517	1.7
245.15407	13.5
246.19751	14.8
256.18207	3.5
273.18417	2.4
274.19275	92.7
277.18073	4.6
306.21906	35.5
369.23920	6.1
401.26581	3.9
433.28592	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	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03939	0.2
54.07259	0.2
55.05516	0.2
60.04526	0.2
67.01881	0.5
67.05511	0.3
68.95734	0.2
68.99818	0.4
69.03449	0.4
69.07064	0.5
70.06593	1.1
71.52363	0.2
72.08166	0.5
81.03430	0.6
81.07059	0.6
84.04510	0.3
84.08150	1.3
85.02898	0.4
86.09711	2.8
91.05500	0.8
93.07055	0.4
95.08598	0.5
97.02935	0.3
97.04022	0.3
99.04488	0.2
105.07051	0.2
106.06578	0.2
107.08613	0.3
108.14228	0.2
109.02883	0.5
109.10152	0.3
110.17773	0.2
112.99189	0.2
119.04961	1.6
120.08133	0.5
121.02885	0.6
121.10153	0.3
127.03944	1.1
129.10268	0.5
130.06526	0.4
132.08134	0.2
133.10127	0.5
136.07605	0.6
136.78563	0.2
137.05991	0.3
137.09657	0.4
143.04611	0.3
143.11800	1.0
145.02873	0.4
153.01839	3.8
159.09198	0.3
163.03940	0.6
171.02898	0.5
181.04890	0.2
217.12222	0.2
225.05513	0.2
271.06024	100.0
272.06390	1.1
274.11832	0.3
433.11240	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	433.1134
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
50.76097	0.4
55.01847	0.8
55.05479	0.7
56.04992	0.4
57.03413	0.7
61.02905	0.5
65.03926	0.8
67.05485	0.6
68.99772	0.9
69.03383	0.6
69.07051	0.6
70.06599	3.9
70.56412	0.8
70.56763	0.7
70.59724	0.4
71.04942	0.4
72.08118	1.1
75.04461	0.3
79.01778	0.4
79.05473	0.6
79.69212	0.3
80.47694	0.4
81.03375	1.6
82.95787	0.4
84.04460	0.7
84.08146	4.0
84.35538	0.3
85.02908	3.1
86.09716	2.8
91.05443	1.7
93.03363	0.5
93.07045	0.5
94.06563	0.7
95.04953	0.8
95.08585	0.4
97.02868	1.1
99.04415	0.5
100.11259	0.5
103.03934	0.5
103.05448	0.5
105.03362	0.5
105.06971	0.5
107.04946	0.4
107.08578	0.6
108.37731	0.4
109.02890	1.8
119.04946	3.8
120.08067	1.7
121.02034	0.5
121.02875	10.3
122.06088	0.4
122.13213	0.4
123.00790	0.6
127.03873	1.1
129.10216	1.0
131.04871	0.4
137.02249	0.6
139.07547	0.5
141.01799	1.1
145.02844	3.4
146.06009	0.9
147.04424	0.7
149.02361	1.9
153.01779	0.7
159.04414	0.5
159.07787	0.4
163.03885	3.0
165.01836	12.6
167.03387	2.7
175.03848	0.5
177.01807	1.4
177.05475	0.9
179.03471	0.5
181.04878	0.9
181.06348	0.4
183.02905	3.6
187.03844	1.5
189.01773	0.8
190.99721	0.4
191.03333	1.1
195.02847	1.5
203.03316	0.7
205.04903	0.7
210.06577	0.4
213.05496	1.1
215.03448	0.6
217.04849	0.8
227.07083	0.6
229.04938	1.6
233.04507	0.9
239.07037	0.9
242.05624	0.7
243.02863	1.7
243.06567	0.6
255.06512	2.2
256.07272	3.0
259.06125	0.4
261.04013	1.1
267.06512	7.4
270.05219	2.6
271.06021	7.0
279.06500	1.3
281.08069	7.0
283.06015	100.0
284.06778	15.7
285.07449	1.2
291.06509	0.7
293.08075	1.0
294.05020	0.4
295.06009	13.2
295.09555	2.8
297.04132	0.6
297.07520	7.1
305.07996	2.5
307.05981	1.8
308.06857	2.0
309.03937	1.8
309.07532	20.0
311.05484	1.1
313.07053	78.4
314.07309	1.1
320.06729	0.5
321.07581	2.4
323.05624	0.8
323.09119	18.5
325.07068	1.6
333.07550	3.9
335.05569	0.7
337.07062	35.2
338.07291	0.4
343.08191	1.4
349.03091	0.7
349.07080	10.1
351.08661	2.7
355.07980	0.5
361.07050	7.8
367.08139	23.1
379.08124	18.9
389.17770	0.7
397.09204	23.3
405.69028	0.4
415.10208	21.5
432.85788	0.9
433.11337	29.5
433.16431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04954	1.2
67.05508	9.7
70.06576	7.5
71.51830	1.7
72.08141	2.1
81.07055	2.2
84.04498	2.1
84.08138	5.7
85.06541	4.6
86.09695	5.0
87.10061	1.5
89.06015	2.9
93.07034	3.4
95.08610	43.4
105.07021	3.1
107.08579	4.4
111.08787	1.4
113.06018	9.0
119.08586	10.2
120.08145	2.1
121.10131	3.7
123.08074	14.8
123.11752	1.5
129.10255	1.8
135.11719	9.3
137.09608	2.5
141.22620	1.4
142.07066	1.3
143.20787	1.3
147.04382	4.9
147.11681	3.3
149.09622	23.6
151.14847	2.7
161.13263	9.0
163.11183	5.3
163.69319	1.6
165.12772	5.3
166.13263	1.4
189.12755	10.1
193.70995	1.8
207.13803	100.0
225.14789	8.5
432.18344	2.1
433.16653	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	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.6
57.03459	6.2
67.05504	7.9
69.03422	12.0
69.07076	6.2
70.06581	31.4
71.04988	7.9
71.07847	6.0
71.08187	8.8
72.08141	16.5
74.45455	4.5
79.05506	6.6
81.03407	16.6
81.07044	5.0
84.04496	5.9
84.08147	26.5
85.02437	6.7
85.02911	77.6
86.09720	44.6
91.05480	64.9
95.08630	7.8
97.02910	36.0
97.06544	5.7
97.66795	5.0
99.04462	42.3
103.03942	86.0
105.07024	8.4
107.08595	7.9
109.02885	14.7
117.06956	7.0
119.08585	7.7
120.08127	8.2
121.10087	5.4
123.08066	76.5
127.03920	100.0
129.10243	9.8
131.08577	8.9
136.07579	8.8
143.11751	6.4
145.04973	59.3
145.06059	7.7
151.11192	5.4
163.06050	51.0
177.05473	7.9
181.12265	7.7
187.05957	8.4
199.14798	4.7
215.13930	5.1
219.10184	5.5
225.14891	25.8
289.09192	5.6
307.10233	16.0
432.19205	9.7
432.26282	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	432.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05499	1.4
56.40442	0.6
57.03437	1.8
61.02920	1.4
67.05499	2.8
69.03427	7.5
69.07071	0.8
69.85549	2.3
71.04981	1.1
79.05479	2.4
81.03429	2.2
81.07047	2.3
83.04981	2.4
85.02894	3.3
91.03970	1.0
91.05498	3.2
93.07047	9.4
95.04946	1.4
95.08608	1.3
97.02875	0.9
103.03999	0.6
103.05487	0.9
105.07033	100.0
106.07322	1.0
109.10191	0.7
111.04445	3.2
119.04951	2.6
119.08588	1.1
121.06505	24.2
121.10159	0.7
129.05490	2.0
131.08533	0.8
134.10309	0.6
142.19658	0.7
145.10156	0.6
147.06532	3.8
231.49338	0.6
267.12283	4.2
279.23148	0.8
298.57910	0.7
336.36493	0.8
387.18085	8.4
400.25217	1.9
403.10239	0.9
423.03226	0.7
432.23798	1.3
433.14890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
53.03948	2.5
55.01881	0.9
55.05520	0.6
57.03434	2.2
61.02922	1.8
61.30726	0.4
65.03931	1.3
69.03079	1.0
69.03432	11.5
69.59104	3.0
70.06604	0.6
71.04985	4.1
72.08162	1.0
73.02919	3.2
81.03422	11.3
81.07079	0.5
82.63864	0.5
83.04973	0.6
84.08154	1.1
85.02908	66.8
86.07162	0.5
86.09724	1.7
87.04478	1.3
87.75211	0.6
91.05485	62.6
93.07005	0.8
97.02896	24.3
97.03529	1.2
98.21494	0.9
99.03761	0.6
99.04460	39.4
103.03946	89.6
105.32063	0.5
107.08565	0.6
109.02140	1.0
109.02885	16.9
115.03962	1.0
127.03922	100.0
129.06996	1.1
129.10251	0.7
143.08553	0.8
145.04964	70.3
163.06023	64.2
169.04956	1.7
171.08012	1.3
175.07610	1.7
187.06047	6.4
199.07623	2.5
205.07074	4.7
217.08617	6.3
233.31682	0.5
235.09697	2.5
247.08080	0.7
251.41446	0.6
253.07152	1.2
253.10721	2.3
271.08145	9.5
277.10681	0.6
289.09155	7.0
295.11636	0.6
307.10239	14.2
320.53659	0.5
361.12717	1.0
379.13828	1.1
397.14893	2.1
432.18878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.6
55.01871	4.5
55.05523	10.9
57.03416	2.6
57.07088	10.3
58.06564	2.1
59.04995	5.4
61.02922	2.9
62.51845	2.0
65.03918	4.9
67.05509	27.0
67.49139	2.3
68.05827	2.6
69.03425	6.7
69.07056	6.6
70.09994	3.1
70.10351	8.4
71.04977	4.0
73.73661	2.0
75.04465	3.6
79.05087	2.8
79.05503	43.4
81.03400	9.4
81.07057	27.5
82.07397	3.2
83.04969	8.1
83.08615	3.6
83.65087	2.0
85.02893	4.4
85.06539	5.1
87.04462	3.6
91.05491	44.4
93.07053	40.8
95.04974	31.2
95.08611	15.0
97.02888	7.9
97.06538	15.0
103.05471	4.3
105.07040	34.2
107.04935	7.3
107.08597	31.6
108.05745	3.0
109.06525	23.3
109.10173	4.8
110.07333	13.1
111.04441	4.5
111.08092	20.8
113.06046	2.7
115.05457	9.5
116.06231	4.9
117.07025	21.5
119.04940	4.0
119.06023	3.8
119.08585	22.2
121.06559	11.1
121.10147	16.8
122.07287	11.3
123.04434	3.4
123.08078	30.9
125.06004	34.4
125.09576	4.6
128.06224	3.9
129.05505	27.1
129.07037	10.1
131.08578	32.4
132.08917	2.2
133.06482	7.5
133.10132	15.5
135.08072	24.8
135.11684	6.5
137.05975	17.1
137.09612	12.3
138.06734	6.6
139.07561	11.0
141.06964	3.4
142.07758	6.8
143.08521	7.9
145.10089	15.7
147.08076	12.8
147.11707	3.3
149.06042	2.7
149.09639	18.5
149.13254	4.7
151.07538	8.6
152.08316	2.4
153.09062	8.3
155.08537	2.3
156.09312	3.2
157.10114	7.9
158.07150	2.6
159.08092	12.8
159.11650	5.8
161.09618	9.6
163.07492	4.1
163.11188	98.7
164.11482	3.9
165.09087	10.7
166.07869	3.0
167.07063	76.7
171.08009	2.6
171.11743	4.3
172.08829	3.2
173.09645	7.6
174.06769	2.2
175.11186	5.8
177.09113	14.8
177.12668	2.5
179.10640	3.7
180.11433	4.9
181.08607	10.5
181.12267	6.4
185.09612	4.0
187.11177	2.8
189.09070	4.2
191.10696	4.7
193.08612	3.6
199.11160	5.1
200.11909	2.8
202.09760	2.4
203.10661	6.2
205.12245	13.6
207.10091	4.7
207.13792	2.8
209.11667	3.6
215.10625	5.1
216.99547	2.3
217.12212	2.5
223.13303	21.1
224.14009	6.9
227.10773	2.1
229.12207	6.4
237.14833	9.8
241.15933	4.1
245.11661	3.1
262.74921	1.8
278.21909	5.3
284.17953	2.9
292.19855	6.3
306.21451	3.1
359.27814	2.6
382.21603	3.1
398.18637	2.2
399.23840	4.4
413.31567	2.4
431.24210	100.0
432.24506	3.6
432.69278	2.2
441.81470	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	431.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91667	2.5
53.03940	7.4
54.84917	2.2
55.01867	8.7
55.05502	13.1
57.03432	12.1
57.07061	10.5
59.05006	2.9
61.02911	4.8
65.03954	5.0
67.05508	37.6
69.03442	18.8
69.07062	11.4
69.57922	3.2
69.58245	16.6
70.06643	2.7
71.04995	11.2
72.93728	2.7
73.02923	3.9
75.04472	6.1
79.05499	48.0
81.03439	21.5
81.07066	45.4
83.04974	22.9
83.08594	4.5
85.02918	12.0
85.06548	5.8
91.03941	5.1
91.05482	55.7
93.07050	59.1
95.04968	29.3
95.08611	16.0
97.02905	7.8
97.06531	19.5
99.04478	7.2
103.03992	3.5
103.05450	5.2
105.04504	2.8
105.07040	40.9
107.04976	10.3
107.08606	38.3
109.02898	4.2
109.06541	29.2
109.10173	8.0
110.07304	13.1
111.04447	8.8
111.08074	17.4
115.05456	7.3
116.06252	5.6
117.07027	21.7
117.65581	3.0
119.04935	4.0
119.08582	19.3
121.06495	13.4
121.10142	20.6
122.07265	7.9
123.04488	2.8
123.08081	27.0
123.11739	5.0
125.05993	41.1
125.09672	3.0
127.03929	6.8
127.78899	2.5
128.06252	5.6
129.04626	2.1
129.05484	16.1
129.07019	11.1
130.07816	2.5
131.08574	54.8
133.06519	9.4
133.10156	18.3
135.08069	19.9
135.11716	12.3
137.06007	26.1
137.09633	13.4
138.06784	4.3
139.03935	3.2
139.07530	17.2
142.07779	3.7
143.08594	7.8
145.06535	5.8
145.10129	16.4
146.07208	3.2
147.08051	11.5
147.11729	6.5
148.01233	2.6
149.06033	4.2
149.09618	23.1
149.13304	14.6
151.07596	9.8
153.07027	3.0
153.09106	6.5
156.09445	3.3
157.10133	5.2
159.08105	16.2
159.11681	14.6
161.05965	3.2
161.09645	20.0
161.13385	3.6
163.07535	3.0
163.11194	100.0
165.09140	10.3
167.07060	76.4
169.10149	3.9
171.11705	4.2
173.09618	6.3
175.11299	4.0
177.09157	11.6
177.12714	15.7
179.14326	3.3
180.11517	3.5
181.08595	23.8
181.12148	4.4
185.09639	4.6
187.11241	5.0
189.12695	2.9
191.10617	6.8
193.08470	3.1
195.13828	15.5
197.09586	3.5
201.09195	4.5
203.10692	7.2
205.12270	11.4
207.10086	3.4
209.11806	7.0
211.11255	3.1
215.10696	2.9
219.13745	4.3
223.13266	14.8
224.14134	8.7
229.12334	4.4
237.14833	12.0
269.17542	44.8
366.98227	2.9
367.09390	3.0
413.21616	4.0
419.60620	2.6
431.24344	94.6
432.24893	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	430.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.6
62.62689	1.7
67.05507	3.9
69.03424	3.3
69.07069	14.9
70.06573	3.9
79.05499	3.9
81.07069	4.9
83.04994	2.2
83.08615	3.1
84.08148	2.0
85.02893	4.3
86.09677	2.3
91.05480	7.0
93.07046	3.5
95.08595	6.1
97.02854	2.3
105.07031	16.5
107.05043	1.6
107.08594	4.0
109.06527	1.8
109.10154	2.9
111.08080	1.8
117.07052	2.8
119.08580	48.1
119.31374	1.8
121.10182	3.2
123.08121	2.2
129.07007	2.0
131.08557	12.1
133.10130	28.8
135.07968	1.9
143.08594	5.2
144.09386	2.3
145.10106	7.0
147.11703	11.7
149.09720	2.7
157.10178	2.2
158.10938	3.1
160.12248	2.0
163.11151	4.8
173.13271	34.7
175.14816	100.0
183.09973	1.7
191.14322	8.5
205.15865	3.2
211.11253	1.6
233.15401	8.9
251.16350	2.3
269.12299	2.5
332.60519	1.9
353.19427	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	430.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	3.1
63.16879	1.1
65.51070	0.9
66.06005	1.0
67.05491	3.6
71.07367	1.9
71.08636	1.2
81.07054	2.3
87.61412	0.9
87.74010	1.0
94.64534	1.1
95.08582	1.7
109.10165	5.2
119.08591	2.3
121.06512	8.8
122.07288	2.4
135.08141	1.2
136.08865	10.4
137.09627	13.4
145.10091	1.3
149.09648	3.4
152.08401	1.7
163.11224	2.8
164.08347	33.1
165.09120	100.0
166.09464	7.4
177.09094	2.6
178.09700	1.0
181.82462	1.0
191.10654	1.3
192.10991	0.9
205.12332	7.1
222.31407	1.1
259.10886	1.1
376.41315	1.0
417.42365	1.0
430.38022	86.1
431.38348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02469	1.2
53.03937	3.0
55.01871	7.8
55.05270	2.0
55.05511	22.8
55.86575	1.1
57.03429	2.4
58.54475	1.0
58.63607	1.0
59.04974	1.5
62.59570	1.2
65.03934	2.1
67.05507	20.5
69.03419	2.4
69.07059	5.1
70.57296	4.0
71.04994	2.2
71.64442	1.3
79.05068	2.2
79.05493	26.9
81.03408	4.2
81.06592	2.5
81.07054	45.9
83.04980	7.2
83.08616	12.9
85.02912	1.8
91.05480	16.0
93.07044	16.4
95.04960	11.6
95.08610	7.5
97.06517	3.6
97.10175	20.3
105.07034	11.9
107.04958	7.9
107.08600	13.8
109.06511	8.2
109.10133	6.5
111.04459	7.5
111.08090	4.9
115.05452	1.7
117.07015	10.5
119.04926	1.8
119.08577	18.7
121.06525	6.3
121.10145	8.4
123.04391	1.8
123.08043	8.8
125.05988	1.7
125.09631	16.5
129.06989	5.1
131.08574	11.1
133.06479	1.8
133.10138	6.8
135.04445	1.4
135.08040	5.5
135.11705	5.9
137.09644	2.7
142.07820	1.3
143.08546	6.6
145.06441	1.4
145.10121	14.9
147.08047	12.5
147.11688	2.9
149.09605	6.5
151.11226	1.3
153.09071	5.7
153.12752	2.3
153.18730	1.3
155.08627	2.1
157.10106	3.7
159.11702	4.2
161.09601	5.8
161.27838	1.1
163.11172	9.4
165.09125	4.8
171.10362	2.0
171.11687	4.1
173.09613	4.7
175.11209	2.2
181.12225	2.2
182.44630	1.3
185.13243	1.2
187.11156	1.4
189.11220	14.9
189.12787	2.1
191.10681	10.2
194.05344	1.4
195.11714	1.9
209.11746	4.6
213.16551	1.5
223.13301	4.0
227.12720	4.0
227.17969	2.0
237.16473	2.1
245.18884	6.0
255.17345	6.2
265.10712	1.3
273.18484	53.3
291.19540	100.0
309.20462	1.2
367.47784	1.3
377.19501	9.7
395.20761	2.3
416.37949	1.6
430.12064	3.4
445.50974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01881	5.8
56.05030	1.1
56.34863	1.0
57.03197	1.3
57.03444	18.6
57.07077	11.1
57.32637	1.1
59.05029	1.9
61.02930	14.6
63.04171	1.1
63.04495	20.4
64.68174	1.1
66.34015	1.1
69.03436	29.0
69.03812	1.8
69.07041	1.6
70.06597	10.8
71.01347	3.5
71.04996	1.8
71.51871	1.7
72.08155	5.3
73.02925	78.9
81.03412	5.0
84.04492	3.3
84.08140	4.6
85.02910	67.5
86.09723	9.4
87.04464	6.3
91.03946	3.5
91.05452	1.9
91.52632	1.2
97.02899	60.2
99.04433	3.6
103.03940	3.0
106.06567	3.1
109.02865	4.9
115.03940	28.0
119.10703	100.0
120.08092	1.7
121.10179	2.3
127.03931	26.8
129.10234	3.2
133.04977	33.9
136.07568	1.2
141.10228	1.2
145.04967	37.0
150.07640	2.5
159.09203	1.7
160.17789	1.1
163.06062	11.9
164.07100	1.4
169.04872	1.7
173.90289	1.1
182.08105	1.3
193.04903	1.3
199.06050	2.4
211.06039	1.6
215.12802	3.4
217.07051	2.9
223.06023	6.4
241.07071	8.3
251.14874	9.2
259.08173	11.6
277.09070	3.1
281.15884	4.6
295.10303	4.7
307.87912	1.1
430.17029	5.5
431.08734	1.7
431.14886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60350	0.6
63.83297	0.5
69.03413	1.0
70.09426	0.5
70.09754	1.9
71.04980	0.8
71.94760	0.6
72.90804	0.6
79.05466	0.5
85.02896	1.9
89.06029	2.6
93.07049	1.0
93.70329	0.5
97.02911	0.8
98.21342	0.7
103.05473	6.6
107.04950	1.2
109.02935	0.6
119.93008	0.5
120.08118	100.0
121.08477	0.9
127.03946	1.1
131.04929	2.2
136.06212	0.8
145.04968	1.1
149.05994	2.0
163.06007	0.7
166.08659	56.9
167.07037	1.0
285.74417	0.6
397.14139	0.6
412.10590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01873	4.7
55.05509	1.3
56.05015	0.9
57.03441	3.7
59.04977	0.9
60.04537	0.9
61.02914	3.5
67.05500	2.2
68.99777	2.2
69.03434	22.2
69.07071	1.6
70.06593	5.5
70.47388	1.2
71.01345	0.9
71.04983	3.3
71.33762	0.7
72.08147	3.4
73.02916	5.6
79.05501	4.3
79.05865	0.7
79.36855	0.8
81.03423	20.4
81.07058	6.5
83.04974	2.4
84.04517	1.3
84.08157	4.1
85.02911	44.0
86.09707	7.5
87.00831	15.3
87.04465	1.6
91.03969	1.7
91.05468	7.0
93.07053	8.9
95.04977	20.2
95.08602	1.7
97.02894	15.4
97.06552	2.0
99.04449	9.7
102.05573	0.8
103.03957	2.4
103.05442	0.9
105.01870	11.9
105.07037	9.3
107.04982	1.3
107.08595	11.1
108.02135	0.9
109.02883	22.6
109.06499	3.3
110.07133	0.7
111.04426	0.9
117.01844	2.9
117.07001	3.6
119.08611	4.5
120.08086	1.0
121.06564	3.6
121.10144	11.0
123.08076	1.7
125.05990	1.5
127.02985	1.7
127.03924	36.3
129.01808	2.2
129.10231	2.1
130.05128	0.8
130.07791	1.9
131.08629	1.3
135.08076	1.6
135.11728	5.0
137.05995	1.7
137.09566	1.3
143.08571	1.3
145.03922	1.4
145.04974	17.6
145.10136	15.0
147.02882	2.9
147.04346	0.8
147.08052	3.2
148.08820	0.9
149.05988	1.5
149.09569	0.9
151.03906	5.3
159.02913	13.0
161.09601	2.3
163.11188	100.0
164.11491	0.9
165.09123	2.1
165.12674	0.9
167.07045	3.2
175.11188	1.9
179.07025	2.4
181.12216	5.1
183.10060	0.9
187.11127	1.1
189.03943	2.6
193.26097	0.9
203.08813	0.9
205.08630	0.9
205.12236	4.9
207.06506	4.5
213.03996	1.3
223.13275	8.5
231.05013	9.8
249.06062	0.8
271.13293	2.3
289.14273	1.5
393.15497	4.0
429.21710	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	429.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79742	0.3
53.03946	0.4
55.05510	0.7
65.03912	0.3
67.05502	0.4
69.03445	0.4
69.46838	1.3
69.47259	0.9
70.06580	0.9
71.04992	0.4
72.08162	0.3
81.03421	1.1
81.07047	0.4
83.04996	0.3
84.08141	1.1
85.02898	1.2
86.09699	1.3
93.07039	0.3
95.05000	0.3
95.08598	0.4
97.02876	0.4
98.21497	0.6
99.04465	0.6
105.01889	0.7
105.07000	0.4
107.04949	0.4
109.02904	0.4
119.08572	0.4
120.08136	0.3
121.02847	0.3
121.10266	0.3
123.04463	1.8
123.05209	0.4
123.08078	0.3
124.01560	0.6
127.03918	0.5
129.10176	0.3
134.03650	0.3
136.07603	0.4
137.02321	0.8
143.01884	0.4
145.03526	0.3
145.04964	0.6
161.03079	0.4
163.11229	0.6
185.04306	0.4
200.04726	1.1
228.04195	0.6
256.03751	0.4
274.04800	1.1
278.91415	1.6
285.13037	1.7
290.91562	0.5
302.04193	0.4
303.13046	0.5
326.95258	0.3
327.13129	1.3
353.94336	0.4
354.94601	1.0
367.17294	6.1
369.15265	2.1
382.94247	0.5
411.16293	0.5
428.94739	19.7
429.17334	100.0
429.95068	1.1
430.17545	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92058	9.7
61.77822	10.9
69.07070	11.6
71.50962	13.2
74.00657	72.6
81.03608	9.4
84.04500	23.3
86.06088	10.7
86.09717	100.0
87.10025	36.7
123.99484	10.0
130.04993	28.9
131.04457	11.1
131.05321	13.1
132.10216	66.5
133.10541	28.4
136.06146	27.5
137.06534	15.8
165.08965	10.9
171.63988	11.0
173.03275	11.6
175.67899	10.4
177.03307	29.9
178.03540	15.5
197.01237	12.5
299.03696	17.1
300.03827	31.8
429.03989	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.8
55.05493	2.8
56.05027	4.2
57.03436	16.1
58.33893	2.7
59.04984	3.7
60.04515	3.9
61.02933	14.9
69.03432	35.0
69.07077	3.7
70.06596	26.1
71.01345	3.3
71.04987	2.6
71.08636	15.6
71.51772	3.9
72.08165	22.4
73.02921	100.0
79.05502	3.4
81.03419	8.7
81.38705	2.8
84.04488	11.2
84.08152	24.7
85.02907	90.6
86.09713	28.6
87.04444	4.9
88.90929	2.7
91.03972	5.0
91.05447	5.1
93.07037	3.8
97.02892	54.3
99.04441	12.4
103.03936	9.9
109.02849	7.3
110.07160	5.1
115.03945	35.2
117.05492	4.8
117.09132	3.9
120.08086	20.4
127.03922	36.7
129.10223	11.4
133.04971	48.6
136.06139	3.9
136.07605	15.5
144.06554	6.8
145.04970	50.9
150.07635	5.3
156.06482	3.7
163.06070	17.4
180.08636	3.2
201.05453	3.4
219.15155	4.8
223.06013	4.9
231.12265	4.4
241.06982	8.9
259.08145	11.8
261.13312	5.5
288.15955	3.3
295.10144	3.6
307.09030	3.7
428.19772	10.1
429.21063	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05510	9.2
55.69686	0.7
57.07079	5.8
58.02908	0.5
63.63852	0.5
67.05502	4.5
69.03436	0.7
69.07070	29.4
71.08636	3.6
79.04553	0.6
79.05497	2.2
80.50744	0.5
81.03400	0.7
81.07065	9.4
83.04991	1.3
83.08621	10.9
83.09103	0.4
85.10176	1.8
86.80171	0.6
91.05468	1.9
93.07047	2.6
95.08605	6.7
97.06492	0.7
97.10177	6.7
98.20730	1.3
105.07031	2.3
107.08588	4.6
109.06528	0.7
109.10170	6.0
111.04441	0.8
111.11707	2.7
119.08585	3.9
121.06535	0.7
121.10131	2.9
122.07274	1.2
123.11711	2.0
125.13242	1.3
131.08583	1.6
133.10126	1.7
135.08006	3.2
135.11674	1.5
137.09605	7.4
137.13263	1.0
139.07561	1.3
144.09322	0.7
145.10095	1.9
149.09633	8.5
149.13255	1.5
151.07550	1.9
157.10199	1.0
159.08058	0.9
159.11668	1.2
159.95433	0.7
161.09674	0.9
163.07574	1.5
163.11197	6.9
165.09120	100.0
166.09442	1.0
169.30838	0.5
173.09677	1.4
173.13354	1.0
175.07593	1.5
175.11174	2.7
176.08362	1.0
177.09128	6.7
179.10698	1.9
187.11215	2.0
188.08301	0.8
189.09123	3.4
189.12724	2.1
191.10693	6.6
199.11124	0.7
201.12758	1.5
203.10733	5.1
203.14275	2.1
205.12260	10.5
217.12193	1.0
219.13867	2.5
231.13892	2.9
233.15271	1.0
247.16930	0.6
261.18439	0.8
289.21503	1.3
345.28003	2.7
357.27917	0.7
359.29269	1.0
371.29004	0.8
399.32346	0.9
409.34540	1.6
427.19751	1.2
427.30655	1.0
427.35794	15.6
440.06906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05509	10.1
57.07059	6.1
67.05503	2.2
69.07078	13.6
70.64941	3.0
71.08627	4.3
79.05485	3.7
79.22481	1.4
81.07047	6.5
83.08610	10.0
84.51051	1.5
85.10177	2.6
91.05463	4.2
93.07054	7.5
95.08627	8.0
97.10153	3.3
105.07043	4.5
107.08584	5.2
109.10139	5.8
111.11735	2.6
119.04979	1.4
119.08576	4.6
121.06522	11.0
121.10166	2.5
122.07196	1.6
123.08070	2.0
127.63416	1.4
131.08563	3.5
133.06482	3.8
133.10124	3.0
135.08046	5.0
137.09587	4.1
143.08580	3.0
145.10129	6.0
147.08109	2.7
147.11638	3.9
149.09575	4.2
149.13268	1.7
157.10124	2.7
159.08052	18.3
159.11664	2.2
161.09604	2.4
163.07536	1.5
165.09131	46.3
165.10526	2.7
171.11682	2.6
173.09639	3.0
173.13258	1.5
175.11176	13.9
177.09019	2.0
185.09650	1.4
185.13281	4.7
187.14732	1.8
189.12849	1.8
191.10654	4.1
199.11176	1.9
199.14867	2.7
201.12753	11.6
203.10678	2.4
203.14507	1.9
205.12250	5.2
207.62874	1.4
215.14301	13.3
217.15858	1.6
219.13843	2.5
227.14311	5.7
231.13873	1.7
233.15353	12.7
235.16980	3.4
245.15347	9.0
287.20114	8.9
301.21521	1.7
315.23389	2.7
315.26828	1.9
329.24893	2.0
388.70987	1.6
390.95050	1.6
409.34659	2.9
427.35727	100.0
428.35797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
57.04560	0.5
57.86819	0.2
59.62669	0.2
66.38572	0.2
69.18391	0.5
69.18802	1.2
70.06590	1.0
72.08170	0.3
77.68500	0.2
84.08138	0.5
85.02879	0.4
86.09708	0.4
91.05439	0.2
94.04060	1.5
96.05592	0.2
97.02955	0.3
97.10162	0.6
98.20796	0.4
109.05159	0.2
110.07118	0.2
115.11242	0.4
119.03525	0.2
123.06690	0.8
127.19086	0.2
133.05109	0.3
133.12308	0.2
138.47774	0.2
148.84918	0.2
150.07753	100.0
151.08076	0.5
162.05580	0.2
282.11972	0.8
295.11511	24.5
296.11838	0.3
309.38461	0.2
427.19385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.8
55.70209	5.4
56.05043	8.0
69.03436	12.9
69.07058	8.0
70.06595	58.7
71.52020	6.1
72.08164	29.5
73.29663	6.0
78.55363	6.7
81.03433	17.2
81.07063	12.6
84.04535	13.8
84.08155	46.7
85.02921	34.4
86.09711	58.8
87.10037	6.6
88.03959	6.3
91.05476	9.0
95.08643	6.4
97.02901	20.9
97.10182	5.9
99.04480	14.5
103.03954	23.4
109.02893	13.5
110.07177	9.4
118.42493	6.2
119.08543	8.2
120.05612	100.0
120.08133	23.4
125.09643	10.3
127.03937	40.4
129.10242	23.9
136.07596	9.7
141.05508	7.2
143.66400	6.0
145.04999	21.8
147.04417	6.6
155.07016	8.5
160.07584	22.0
161.53717	6.3
163.06017	17.0
167.07063	12.8
178.08623	11.3
185.08165	7.0
197.08154	14.4
211.17078	6.4
229.18010	6.3
264.88281	6.3
412.77600	6.8
426.18073	10.8
427.19205	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	426.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05508	2.8
69.03444	6.0
69.07075	2.2
70.06587	3.6
71.04974	2.9
71.52205	1.5
71.52592	1.3
72.08152	1.7
73.02918	2.2
74.44865	0.9
79.05472	1.4
79.26563	1.1
81.03416	5.5
81.07037	1.4
82.07384	1.1
83.04986	1.0
84.08150	3.0
85.02907	33.1
86.09721	7.5
91.05489	1.4
93.07070	1.4
95.04967	1.3
95.08598	1.8
97.02902	10.2
99.04459	17.9
100.11255	1.7
103.03947	47.4
103.05450	2.5
107.04939	1.3
109.02885	9.6
109.06453	1.2
109.10128	1.5
120.08112	100.0
125.75514	1.1
127.03925	51.3
129.10257	1.5
132.10208	1.0
141.09026	1.1
145.04959	29.1
163.06027	29.4
167.07030	3.1
167.73186	1.2
173.40869	1.1
187.06015	2.6
203.95059	1.1
205.07137	2.3
224.46449	1.2
233.16435	3.3
267.14923	21.7
271.08087	5.5
272.59457	1.1
279.17120	4.2
289.09219	3.4
295.14346	6.6
307.10153	5.4
327.15649	1.2
391.19385	2.0
427.17169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.4
55.05520	3.0
56.47891	1.3
56.87505	1.3
58.06615	3.6
59.04993	1.3
61.02934	2.2
67.05512	1.7
69.03438	10.6
69.68492	6.8
70.06602	3.7
71.05004	4.2
72.08179	2.3
73.02950	2.1
79.05484	1.6
81.03427	13.4
81.03827	1.8
81.07072	2.9
84.08161	7.8
85.02912	67.6
86.09715	7.6
91.05505	2.9
93.07095	1.9
95.04967	1.3
95.08630	2.7
97.02906	17.5
97.10207	1.6
99.04459	37.4
103.03953	100.0
107.08609	1.8
109.02882	16.0
111.04491	1.5
118.13116	1.2
119.08608	4.3
120.08142	6.8
122.43887	1.6
123.08050	1.9
127.03931	97.5
128.04311	1.8
129.10294	2.0
135.11606	1.5
137.09639	3.3
143.10716	6.1
145.04973	58.1
147.04451	1.6
159.81435	1.3
163.06027	62.7
163.07414	3.1
165.09135	4.3
187.06068	6.2
197.11746	2.4
205.07173	3.7
210.14922	1.7
211.88550	1.5
229.14391	5.1
253.07198	2.2
271.08224	8.2
289.09268	5.8
307.10168	13.6
391.19635	1.8
426.30762	6.7
453.47467	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	426.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.1
59.05027	1.3
60.49876	1.1
61.02877	1.3
61.26154	1.1
67.05511	7.9
69.03417	3.5
69.07074	3.6
69.59299	6.7
69.80915	1.0
70.06593	5.8
70.22409	1.0
71.04981	1.6
72.08157	2.7
73.02922	1.1
74.63216	1.0
79.05518	2.5
81.03419	2.4
81.07056	13.4
83.04974	1.3
83.08633	2.7
84.04501	1.9
84.08153	6.8
85.02912	5.9
86.09705	6.6
88.04012	1.2
91.05492	11.3
93.07050	2.8
95.08626	2.0
97.02895	2.2
97.06552	3.2
99.04439	1.7
103.03956	1.7
105.07028	6.9
106.40202	1.1
107.04955	1.4
107.08646	1.9
109.02861	1.5
109.06538	2.5
109.10187	6.3
110.07156	1.2
113.06023	1.2
119.08607	7.6
120.08105	6.3
121.10148	5.6
123.11708	5.4
125.09673	1.5
127.03915	4.8
128.04248	1.2
129.06964	2.0
129.10231	3.3
130.06529	2.1
131.08569	1.4
133.10156	3.0
136.07536	1.2
143.10759	1.5
145.04962	3.8
147.10522	1.6
147.11699	29.7
148.62708	1.1
157.10118	6.0
163.06010	2.3
165.12784	11.9
173.11784	2.4
175.11160	9.1
193.12224	5.1
211.13280	4.0
229.14368	100.0
247.15324	5.2
274.07352	1.5
441.72293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	19.6
56.05019	17.2
59.57501	14.2
60.04503	14.5
63.46948	11.4
67.05499	16.7
69.03420	21.8
70.06599	100.0
72.08149	35.1
74.06065	17.7
79.05444	12.2
81.07053	17.8
81.71766	13.5
82.53201	14.0
84.04486	21.7
84.08146	70.5
84.19987	12.5
85.02893	45.8
86.09708	95.3
91.05489	19.8
97.02904	27.8
99.04423	16.7
103.03946	25.9
109.02867	12.8
109.10134	18.9
110.07125	17.0
120.08094	51.0
127.03920	38.1
129.10257	30.8
136.07573	13.2
142.87102	13.2
144.72601	14.4
145.04951	41.9
147.04527	17.3
157.10094	15.2
163.06027	25.4
180.10188	37.6
189.09082	18.0
215.07082	13.9
229.14398	16.7
261.12692	14.9
274.07065	47.4
296.05215	15.9
325.17981	19.7
426.11972	68.1
426.18121	64.7
427.19208	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.01878	2.2
55.05516	0.6
57.03452	1.8
59.05000	0.9
60.04532	0.4
61.02900	0.5
66.34557	0.3
68.02653	4.5
69.03439	4.6
70.02951	0.3
70.06596	1.9
70.15662	0.3
71.05002	1.4
71.51717	0.5
72.08166	0.9
73.02933	0.4
73.06567	0.6
75.04481	1.1
77.08272	0.3
78.37122	0.3
81.03411	1.0
83.04982	2.7
84.04520	0.7
84.08152	1.1
85.02907	4.5
85.06547	15.7
86.09708	3.4
87.04469	1.0
91.05482	0.3
93.07014	0.4
95.08654	0.4
97.02895	4.0
98.97602	0.4
99.04453	3.5
101.06029	4.1
101.68113	0.3
103.03951	5.2
103.07554	0.6
104.10749	2.1
106.06569	0.4
109.02895	0.9
111.04446	30.7
115.03954	0.4
119.03541	0.7
120.08120	1.3
127.03937	5.0
129.05472	1.9
129.10287	0.4
136.06192	100.0
137.04578	0.4
145.04993	2.3
147.04395	0.8
153.05452	0.6
163.06010	1.2
169.04999	0.4
171.02066	0.9
184.07355	1.5
185.08075	1.2
189.07562	1.4
192.08806	0.4
208.07668	0.3
213.60571	0.4
215.09229	0.3
234.02142	0.4
260.93402	0.3
264.11075	0.4
282.11929	0.6
334.05984	0.5
385.01968	0.5
422.28796	0.4
426.16095	12.1
427.19272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50160	0.8
53.03948	4.3
53.70515	0.8
55.01856	1.0
57.03425	2.2
58.57911	0.8
61.02914	2.5
69.03429	8.9
70.06584	3.6
71.04983	3.7
71.31328	1.4
72.08159	1.7
73.02929	4.4
81.03421	14.4
84.04520	1.7
84.08125	3.1
85.02909	59.9
85.68898	1.0
86.09695	3.5
87.04472	1.4
91.03954	1.0
92.16295	0.8
97.02898	33.7
97.06557	1.2
99.04460	38.4
99.05107	1.9
103.03947	71.2
104.04286	1.0
109.02888	17.0
110.07147	0.8
120.08080	1.4
123.08018	1.2
127.03923	100.0
128.04303	2.0
129.10265	1.1
145.04964	56.7
163.03859	2.5
163.06029	43.3
163.07417	2.1
164.90666	0.8
169.04939	1.5
187.06026	4.9
205.07132	1.9
271.08133	10.3
289.09180	7.0
290.09552	1.3
307.10245	7.6
351.86603	0.9
426.17813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48011	3.2
55.93273	3.8
55.93531	59.0
62.40978	2.9
69.95092	3.1
71.50732	4.6
71.92672	3.6
71.93016	29.6
72.08160	5.1
72.93791	44.7
73.94552	4.5
81.03430	6.4
81.57755	2.9
89.94054	20.9
90.94841	30.0
102.94804	6.3
105.93546	5.3
107.95079	9.7
116.96391	3.3
118.94292	5.0
123.94562	3.3
125.96006	3.5
128.96349	5.1
129.97141	3.9
130.08705	3.0
130.97928	5.4
131.95110	17.7
131.95935	3.5
132.95828	16.0
143.95023	3.4
144.95848	29.5
145.96617	8.4
149.96092	17.1
150.96960	5.6
151.97781	3.6
155.95090	2.9
156.95830	3.9
157.96585	5.6
158.97385	8.8
159.94435	4.7
161.96149	29.9
162.96841	10.3
163.03893	12.8
163.97705	8.6
165.99254	9.0
167.97197	5.9
168.95987	4.3
169.96620	8.2
171.98215	4.4
173.96088	12.1
174.96928	13.7
175.97601	3.6
178.96370	3.2
184.98924	3.5
185.96133	8.5
185.99796	3.0
186.96910	15.0
187.97697	12.0
188.98497	4.3
189.97017	5.8
189.99287	5.7
191.97145	14.3
193.96646	3.6
197.96075	7.1
199.97687	13.5
201.99274	8.4
205.94919	4.5
205.96710	16.2
206.97339	4.9
209.96097	3.0
209.98361	3.1
211.97638	4.6
213.95546	4.4
215.97197	17.4
216.97905	4.2
217.96629	18.3
217.98735	10.5
223.97673	14.1
224.98174	4.0
227.97141	13.9
229.98706	12.4
233.98198	6.1
234.96866	39.2
234.99028	10.1
235.97690	43.7
241.95035	13.5
241.98830	4.1
247.93985	7.3
248.94907	7.7
249.95624	9.5
251.97186	19.6
252.97923	42.5
253.00168	3.7
253.98738	15.7
257.98254	6.3
267.96570	7.8
275.97192	100.0
276.97882	12.6
287.97089	9.9
305.96649	16.3
317.96729	5.5
323.00662	16.3
333.96457	5.3
361.96994	5.8
364.00961	4.0
382.01886	26.9
407.97543	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	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03933	4.3
54.31646	4.4
55.05511	23.6
57.07087	11.1
65.75610	4.2
66.43498	4.7
67.05520	45.3
69.07077	62.0
71.52604	5.0
71.52993	4.4
79.05495	17.3
81.07069	100.0
83.08616	22.0
85.06540	5.8
86.09692	5.9
89.06020	10.9
90.06394	4.8
91.05486	13.6
93.07056	49.0
95.08619	86.4
97.06515	5.3
97.10197	10.0
105.07040	45.6
107.08611	63.5
109.10163	92.7
111.08132	5.3
111.11722	12.5
119.08600	48.0
121.10144	53.8
123.11724	38.0
127.11201	6.2
127.21718	4.3
131.08548	22.8
133.10150	36.7
135.11729	39.9
137.09695	5.1
137.13263	17.7
143.08591	7.7
143.62688	5.8
145.10158	25.6
147.11700	28.9
149.13269	31.3
157.10182	8.4
159.11705	26.7
161.13295	23.1
163.14876	16.9
171.11739	10.6
173.13280	15.2
175.14902	21.2
177.16374	20.3
185.13303	6.0
187.14859	13.5
189.16415	16.7
191.17896	7.3
199.14844	7.4
201.16399	9.2
203.18030	14.8
204.82800	5.1
207.11632	4.6
213.16397	6.3
215.17935	17.0
217.19521	18.6
229.19537	7.8
231.21176	7.8
239.15054	6.4
241.19490	6.0
243.21321	5.0
257.22684	11.8
259.24002	8.7
271.24280	10.5
273.25778	7.7
285.25827	6.4
301.25366	5.4
325.28641	7.0
407.36765	24.5
425.28879	10.8
425.37921	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.93997	3.5
55.05511	18.2
57.07067	12.6
59.04999	5.7
67.05509	39.1
69.07072	45.5
69.62173	19.0
71.08627	3.4
72.08144	5.8
79.05495	24.3
81.07060	95.1
81.52633	3.3
83.08634	17.0
86.09718	4.1
89.06035	6.0
91.05486	17.4
93.07045	49.3
95.08615	100.0
97.06505	3.9
97.10159	7.0
105.07028	39.6
107.08603	53.7
109.06565	3.9
109.10159	78.2
111.11709	9.4
117.06998	7.2
119.08588	42.6
121.10157	42.5
123.08110	4.1
123.11729	31.3
127.11223	9.9
131.08569	12.2
133.10130	35.7
135.11703	44.3
137.09625	4.6
137.13266	31.0
143.08566	4.0
145.10121	19.5
147.11687	29.1
149.13275	28.5
155.08478	3.0
157.10170	7.5
158.26852	3.7
159.11690	13.0
161.13295	20.5
163.14803	13.8
165.09071	5.5
171.11684	6.5
173.09544	3.3
173.13263	8.8
175.14842	42.4
177.16422	14.1
185.13225	4.1
187.14833	8.9
189.16357	18.1
191.17955	7.1
193.15848	4.5
199.14789	6.1
201.16400	11.8
203.17947	11.1
207.17528	3.6
215.17982	9.0
217.19475	11.2
219.21021	3.6
227.17880	4.3
229.19588	3.7
231.21164	4.5
235.14713	3.6
239.14873	4.2
243.21016	3.8
247.30750	3.8
255.21068	4.7
257.22681	4.1
269.22665	7.5
271.24316	4.9
275.23679	6.1
325.28732	4.2
407.36832	21.0
418.56277	3.3
420.79715	3.3
425.28714	10.4
425.37833	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
53.35374	1.5
57.03418	1.4
57.83886	1.1
61.02931	1.6
61.24573	1.1
65.34260	1.2
69.03435	10.9
70.06586	2.8
71.04984	5.1
71.48699	1.5
72.08173	1.9
73.02911	3.2
79.05475	1.6
81.03420	15.6
84.08131	2.0
85.02911	80.0
86.09705	2.0
97.02900	22.4
99.04462	46.3
99.05110	2.2
103.03949	98.8
109.02884	15.4
113.03381	1.3
120.08043	1.8
122.07128	1.6
122.74503	1.1
127.03925	100.0
132.30263	1.1
132.81339	1.3
145.04965	58.9
152.14728	1.1
163.06027	40.3
187.05971	5.1
204.52812	1.3
205.07103	3.5
234.67239	1.2
271.08063	5.5
289.09213	3.6
299.75110	1.2
307.10187	4.3
309.52432	1.2
340.18851	1.4
425.17554	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.05502	3.4
61.02908	2.6
69.03401	8.1
69.64732	1.9
71.04959	3.1
71.22221	2.4
71.22528	2.1
81.03394	8.9
83.08633	9.3
84.08112	2.2
85.02453	3.4
85.02914	51.4
86.09689	2.2
97.02885	11.9
98.93737	1.9
98.97593	14.2
99.04462	30.6
99.05051	3.7
101.09621	5.9
103.03951	72.1
109.02908	12.4
113.10336	2.1
116.98636	2.5
127.03924	76.0
129.10193	2.6
145.04962	48.0
163.06036	34.3
164.97552	2.0
187.05984	3.4
205.06992	3.7
221.46800	2.0
228.77286	2.2
263.09628	3.2
271.08011	4.5
289.09119	2.9
307.10162	6.5
323.11533	4.6
425.16403	100.0
426.17307	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	425.2019
Annotation	Lys-Asp-Tyr
Peak:m/z	Relative Intensity
53.03938	5.3
53.51161	1.3
55.05502	5.2
69.03435	10.2
70.64331	4.5
71.04980	4.3
73.02914	2.3
74.29350	1.4
81.03421	12.7
83.08623	6.3
83.30099	1.3
85.02906	65.3
95.04951	1.5
97.02900	17.1
99.03848	2.8
99.04458	40.0
101.09636	4.4
103.03944	90.5
106.68633	1.4
109.02872	14.1
111.04383	1.4
127.03921	100.0
145.04965	66.2
145.06155	2.6
161.95123	1.5
163.06021	37.9
163.07368	1.8
165.85706	1.3
169.13509	1.3
187.06032	5.5
204.82362	1.4
205.07053	3.8
209.15329	1.5
210.15733	2.4
271.08249	4.4
289.09131	4.7
307.10312	7.2
321.13266	2.0
425.18106	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.1
55.05515	12.5
56.05035	1.3
57.03425	1.3
57.07059	1.4
59.04984	1.4
61.81926	0.8
67.05491	2.3
69.03411	3.3
69.07063	5.4
70.06593	7.3
71.02902	1.3
71.04986	2.5
72.08157	2.0
79.05486	2.8
79.99282	0.8
81.03410	1.6
81.07059	4.8
83.04984	7.1
83.08622	11.4
83.42838	1.0
84.04507	1.6
84.08164	4.2
85.02900	6.3
85.06532	2.8
85.64204	0.9
86.09713	4.2
87.04468	0.9
91.05466	3.4
93.07047	11.0
95.04971	10.0
95.08617	5.7
97.02879	1.9
97.06528	6.9
97.10162	2.7
98.97557	1.0
99.04459	4.4
100.00195	1.2
102.05555	1.2
105.07026	3.5
107.08598	16.5
109.02878	0.8
109.06519	4.6
109.10146	8.2
110.07156	2.2
111.08092	2.7
113.09587	1.0
115.07559	4.9
116.01650	2.1
118.01266	2.1
119.08580	4.5
120.08117	2.4
121.10150	41.1
122.07191	0.9
123.08077	1.5
123.11709	2.6
125.09621	3.5
127.03893	2.4
129.10231	1.6
131.08542	2.3
133.10144	7.4
135.08063	1.8
135.11690	3.4
136.07542	1.2
145.04950	1.5
145.10094	2.1
147.11685	2.2
149.09581	0.9
149.13251	3.6
151.11195	15.8
153.09108	5.9
160.05081	1.7
163.11255	0.9
163.14844	13.6
167.14317	17.9
173.13295	7.9
175.14851	3.8
181.04982	0.9
191.14311	14.1
192.07704	1.9
197.00017	1.7
209.15369	100.0
210.15663	1.7
215.13931	1.2
226.00159	0.9
227.12878	1.7
227.16418	13.0
243.13474	1.0
343.05530	0.8
389.09332	1.1
394.67883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.9
57.03425	3.0
57.07081	3.4
67.05503	7.3
69.03441	3.5
69.07069	16.8
70.06597	10.5
71.05000	3.4
71.08624	3.0
71.51823	2.3
71.52206	3.8
79.05511	2.9
81.07066	27.0
83.04969	4.5
83.08627	8.4
84.04510	2.7
84.08131	10.5
85.02905	27.1
85.06545	9.0
86.06065	4.6
86.09717	3.7
91.05496	4.7
93.07044	6.8
95.04953	2.8
95.08624	12.0
97.02924	1.7
97.06515	3.8
99.04472	5.9
99.08094	3.4
100.11289	3.2
101.02361	5.6
105.07052	9.9
107.08584	7.5
109.06525	6.0
109.10188	2.2
110.07189	2.5
119.08588	5.5
120.08144	4.8
120.22383	2.0
121.10149	13.0
123.08073	7.3
123.11721	28.7
127.07568	10.0
129.10289	3.1
135.11688	1.9
137.13277	4.0
141.70007	2.4
147.11697	37.2
155.14323	9.0
165.12781	17.4
173.13295	3.6
178.58786	2.3
183.12175	3.6
183.13824	99.6
201.14870	100.0
255.55812	2.2
258.89182	1.9
348.31952	2.3
423.84189	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
53.53793	0.6
55.01872	0.7
55.05507	1.2
57.03428	1.2
59.05000	0.7
61.02923	2.0
62.77010	0.6
62.83369	0.5
67.05505	1.3
69.03432	9.1
69.07068	0.7
69.61632	2.7
69.62029	1.4
70.06596	1.7
71.04994	2.6
72.08163	0.7
73.02916	2.1
81.03420	10.9
81.07070	1.3
83.04962	0.6
84.08138	2.6
85.02908	68.8
86.09715	1.5
90.38658	0.6
91.03951	1.1
93.07060	0.6
95.08582	0.8
97.02894	14.7
99.04459	35.4
103.03944	100.0
105.07021	0.8
107.08595	0.8
109.02887	13.7
115.03957	0.9
120.08150	1.0
121.10136	1.4
123.08073	0.6
127.03919	98.4
128.04257	1.2
129.10249	1.1
135.73810	0.6
138.37991	0.6
141.12767	1.0
145.04961	58.3
163.06024	52.0
163.11223	1.0
169.08592	1.7
187.06003	4.8
191.10825	0.7
205.07135	3.0
227.12782	2.6
253.07059	1.0
271.08105	6.5
289.09161	8.5
307.10223	16.5
343.82669	0.6
372.88684	0.7
389.18060	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	424.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79889	0.5
53.03955	3.0
55.05509	1.4
57.03433	2.3
61.02935	3.0
69.03435	10.5
69.61588	1.0
69.61990	2.5
71.04998	3.7
73.02903	2.4
74.73486	0.5
77.72533	0.5
81.03426	14.2
83.05015	0.9
83.08613	1.0
85.02910	69.4
87.04487	1.0
91.03985	0.6
97.02901	23.2
99.04461	41.8
101.02411	0.7
101.58954	0.4
103.03949	96.5
109.02140	0.9
109.02886	15.6
111.08037	1.3
115.03957	0.8
123.11803	0.6
124.44163	0.6
127.03925	100.0
145.04970	62.4
163.06030	46.9
169.04944	1.2
187.06070	4.3
205.07097	3.2
209.11716	1.3
227.12807	0.5
253.07018	0.8
269.13895	3.2
271.08188	6.9
287.14896	0.6
289.09174	6.4
296.21780	0.5
307.10260	10.4
389.18106	1.3
438.89508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82822	1.3
53.58840	1.6
55.01862	3.2
55.05511	4.2
56.05020	1.4
57.01634	1.3
57.03428	5.9
58.99581	2.9
69.07068	3.0
70.02959	2.3
70.06599	2.3
71.51030	1.6
74.00669	12.4
76.02254	2.2
76.04018	10.3
79.05518	2.4
81.07048	7.3
83.06122	1.8
84.04508	35.6
85.02915	1.9
85.04024	8.1
88.03993	3.2
92.01698	8.7
97.06551	2.9
99.05589	63.5
99.08099	22.9
102.69537	1.5
107.06072	5.3
112.03983	5.0
112.42919	1.3
113.03510	1.9
113.04240	1.6
116.01653	2.5
118.51215	1.5
127.05036	8.2
129.06625	2.8
130.05019	41.0
131.04524	9.1
132.10188	1.5
135.05528	1.9
136.03972	2.5
144.01146	2.1
144.08504	1.4
145.06093	100.0
147.04506	1.6
149.03761	2.5
153.06602	15.2
154.04982	1.8
159.07605	6.8
160.00647	3.0
162.02226	5.3
163.03912	2.0
174.09486	4.9
175.07918	4.3
177.03299	35.1
178.01773	2.1
179.04854	1.9
181.06099	11.4
185.03789	4.3
191.04909	1.3
192.10530	8.2
195.04272	4.3
196.41736	1.4
199.07133	15.5
211.07170	1.7
217.08170	1.8
227.09160	1.2
231.04448	3.0
242.08575	1.5
245.06474	1.6
249.97890	1.4
256.09338	10.2
260.09555	11.4
274.10394	19.6
277.12131	10.7
283.74667	1.6
288.06458	4.4
295.13226	13.2
306.07510	6.9
331.13278	1.9
362.05948	1.5
406.16321	3.3
421.62854	1.5
424.14597	5.3
428.41522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01880	1.2
55.05516	11.0
57.03445	3.0
57.07077	1.1
58.78071	0.6
59.04993	3.0
61.02931	0.9
65.03946	2.1
67.05506	100.0
69.03414	1.0
69.07066	12.3
70.06592	0.8
71.04993	3.7
71.52126	0.7
73.02930	1.1
79.05496	18.4
81.03431	1.6
81.07057	45.9
83.04993	3.5
83.08619	9.9
85.06529	4.0
87.33866	0.6
91.05482	14.0
93.07043	27.9
95.04984	2.6
95.08608	12.3
97.06538	5.1
97.10167	1.2
99.04484	0.7
99.08103	1.7
105.07030	6.3
107.08595	13.2
109.06519	1.7
109.10159	56.1
111.08083	4.6
117.07001	4.0
119.06042	0.6
119.08592	7.7
121.06542	0.8
121.10135	7.1
123.08111	1.3
123.11730	1.7
125.09578	1.4
131.08556	4.2
133.10146	6.4
134.87236	0.7
135.08095	1.6
135.11670	3.6
137.09625	2.2
143.08600	0.7
145.10115	0.9
147.11697	2.2
147.80191	0.7
149.09669	0.9
149.13249	14.2
151.11156	1.0
155.10677	4.5
157.10197	1.0
159.11693	7.1
163.11186	0.8
171.11691	0.7
173.11754	16.4
173.13177	1.6
177.12637	3.0
195.13800	6.8
203.59079	0.7
207.13782	1.2
211.13286	0.7
213.14912	1.3
259.31897	0.6
281.17709	0.7
405.26047	1.4
423.27478	72.8
424.27817	1.3
444.16559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01862	2.5
55.05489	1.5
57.07060	1.6
58.06600	0.6
58.99569	1.2
59.04950	0.6
60.04519	0.6
61.00891	0.6
61.01151	7.4
62.91729	0.5
63.10799	0.5
67.05489	1.6
67.61454	0.5
69.03413	1.6
69.07053	0.9
69.09283	0.5
70.02979	0.5
70.06597	3.9
71.04983	1.1
71.42674	0.5
71.51830	0.7
72.04517	10.5
72.08157	3.2
73.02894	1.8
78.03793	14.3
81.03413	2.8
81.07026	0.6
83.04993	1.5
84.04489	0.9
84.08138	1.8
85.02905	11.3
85.06525	1.7
86.06060	1.3
86.09673	3.0
88.02223	5.2
91.05457	1.1
95.04966	1.3
97.02866	1.0
98.02401	2.2
98.06030	1.2
99.04457	8.1
99.05565	4.1
100.02193	2.3
102.03767	23.5
103.02158	2.4
103.03943	17.0
104.01657	0.8
105.00116	0.8
109.02871	6.2
110.07130	0.6
112.07585	0.9
113.06013	1.9
114.03752	4.1
114.05526	1.8
115.08681	0.7
116.03516	0.6
119.04977	0.9
120.04797	5.3
120.08083	2.4
124.07612	1.4
126.04586	1.0
126.05515	18.7
127.03913	12.4
129.10234	1.0
130.08640	0.9
131.06374	11.6
131.07245	1.0
132.04790	13.8
132.05724	1.2
141.06566	1.5
142.08632	4.5
145.02852	0.9
145.04944	1.9
146.02719	2.9
147.04390	2.2
147.05849	0.7
149.07440	52.2
152.07056	2.6
154.08611	2.4
156.06538	1.0
158.02783	0.9
159.05864	2.6
163.05965	1.1
168.06538	0.6
175.05350	3.3
175.10683	0.8
177.05478	0.7
180.06563	12.2
184.09683	2.4
186.05856	1.0
187.06021	0.9
198.07639	3.1
204.06900	0.6
216.08635	2.4
218.07983	1.2
222.07939	0.7
231.11591	4.0
233.09428	1.0
247.04356	0.9
253.12103	0.7
257.09555	1.7
260.09131	1.2
261.12692	4.1
263.78729	0.6
275.10684	2.6
293.11661	100.0
294.12228	0.9
303.13718	0.9
314.60532	0.5
343.16586	1.0
379.01053	0.6
405.16916	34.0
423.12671	1.7
423.17599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06834	2.5
57.07083	33.8
69.07060	5.3
71.08639	29.6
71.51900	1.9
73.06552	3.1
74.51394	2.2
79.61547	2.0
82.03252	2.5
83.08607	3.8
85.10183	17.6
87.04494	3.4
89.06037	100.0
97.10198	3.1
105.07042	4.1
107.07066	5.9
130.08684	2.9
133.08624	36.2
151.09677	5.5
177.11250	10.6
195.12296	50.1
382.56921	2.5
405.35760	45.8
409.09854	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	423.1431
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
55.01863	1.0
58.99587	6.4
61.02914	1.5
61.31688	0.7
64.59875	0.8
65.03946	0.7
67.05506	6.2
69.03435	5.8
69.07071	43.5
70.06594	1.7
71.50890	1.6
72.73976	0.8
74.00645	1.3
74.06090	0.9
75.01435	3.3
76.02235	4.5
81.03407	2.9
84.04503	1.5
84.08119	1.7
85.02437	1.1
85.02911	13.8
86.00648	0.9
86.99055	2.1
95.04977	6.1
96.04552	1.0
97.02903	5.2
97.06524	5.3
98.18065	1.0
98.97551	0.9
99.02655	2.1
99.04492	0.8
101.04247	33.2
105.00108	1.0
109.02877	1.8
109.16504	0.8
112.07587	6.8
120.08096	3.0
122.06014	1.0
125.05988	1.5
126.05547	1.8
127.02151	3.4
127.03917	3.8
127.05778	2.4
130.06511	1.1
136.07533	0.8
136.50073	0.8
138.09149	2.0
140.07071	24.4
142.03270	1.7
142.08615	5.0
145.04985	1.1
154.08652	1.8
155.01642	1.0
155.05243	1.2
162.07632	0.9
163.03877	2.0
166.08647	1.6
170.06349	8.6
172.04279	68.5
180.04770	1.1
182.08119	11.2
197.07378	1.5
198.05890	5.5
201.05791	1.8
206.08138	2.2
214.05325	8.3
215.08537	11.8
216.06784	1.0
226.05377	2.2
231.02951	1.2
238.05432	1.5
240.06873	0.9
244.06401	25.4
244.08873	1.7
248.09247	1.1
253.76509	0.9
257.09637	2.6
261.09045	19.5
286.07437	6.5
302.12234	1.0
303.10138	2.8
339.10126	1.3
342.09958	1.4
377.13895	11.5
419.66928	0.9
423.14334	100.0
424.14639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03952	4.8
54.32666	0.4
55.05503	0.5
56.05028	0.8
57.03442	0.7
67.05494	0.8
69.03429	1.2
70.06596	4.2
71.05016	0.6
71.51870	0.7
72.08154	1.3
76.02209	0.6
81.03420	100.0
81.07083	0.5
82.03737	0.6
84.04526	1.0
84.08142	2.1
84.49604	0.4
85.02911	5.8
86.06052	0.5
86.09718	2.7
88.03983	0.6
91.05473	0.7
95.04973	1.1
95.08588	0.6
97.00554	0.4
97.02892	2.2
97.06547	0.4
98.97588	0.5
99.04448	3.4
103.03941	5.2
105.07039	0.5
107.04982	0.7
107.08585	0.6
109.02880	2.1
109.06482	0.5
119.04955	0.7
120.08096	1.0
121.02913	0.7
122.05985	0.7
123.08073	0.7
127.03915	6.4
129.10254	1.0
130.06560	0.5
135.04466	0.6
135.11740	0.4
136.07578	1.5
137.09557	0.6
145.04962	4.2
147.04454	0.7
148.06302	0.6
161.05986	1.2
163.06036	2.2
177.05461	0.6
182.08171	0.5
185.10652	0.5
187.06009	0.5
189.05560	1.5
195.05843	0.5
196.07697	0.8
198.09299	0.6
199.12279	0.6
207.06549	2.0
207.13933	0.7
210.09123	1.0
213.10306	1.3
224.07114	1.6
225.07654	1.0
225.14938	1.2
226.07346	4.6
227.08218	2.0
227.11812	4.5
240.09033	1.9
241.06532	1.3
241.09723	4.5
243.08873	0.8
243.11317	1.0
243.16011	1.2
247.08260	1.7
253.54086	0.4
255.11302	13.5
257.09250	0.5
258.12405	0.5
259.10828	0.9
267.08530	2.6
268.08487	0.6
273.12415	1.2
283.10797	5.1
285.12357	0.5
293.71640	0.4
301.11853	21.1
317.13712	0.7
369.11975	1.0
404.12686	1.0
422.13702	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	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05515	0.5
57.03441	0.4
57.07084	14.8
67.05497	1.1
67.43274	0.2
69.07066	0.9
70.06606	0.5
71.52442	0.2
79.05498	1.7
81.03428	0.5
81.07062	1.7
83.08595	0.4
85.02895	0.4
91.05483	1.1
93.07050	1.1
95.04978	0.9
95.08591	0.8
102.09195	0.3
105.07026	1.1
107.08610	0.6
108.04445	0.3
109.06504	0.8
109.10173	0.9
112.03899	0.2
117.07040	0.5
119.08569	1.1
121.06495	0.3
121.10146	0.6
125.07130	1.5
126.05531	2.4
127.03912	0.3
131.08588	0.8
133.10147	0.9
135.08098	0.4
143.08568	0.5
145.10135	0.6
147.11656	0.2
149.02365	1.3
149.09583	0.3
155.08682	0.2
157.10118	0.5
159.11691	0.3
162.12329	0.3
167.10677	0.6
169.10129	0.3
183.11615	0.3
191.11812	0.5
193.04950	1.7
208.14484	0.8
209.12886	6.3
210.11237	0.7
218.12889	2.2
219.11307	1.4
225.44449	0.3
256.26358	1.1
260.15314	0.4
275.17548	4.3
287.14169	0.5
292.20251	4.1
293.18542	4.8
302.18646	8.5
329.21072	0.7
331.22409	0.4
349.23578	0.4
358.24908	1.2
371.84558	0.3
376.25967	100.0
377.26157	1.7
394.26868	2.5
403.24832	0.5
421.25961	1.5
421.31741	5.9
422.28836	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44875	3.5
53.03953	8.6
55.05511	21.5
55.83998	3.5
57.07083	3.7
59.04993	12.1
67.05515	17.8
67.22965	3.4
68.90464	3.6
69.07051	13.0
71.04994	10.1
71.52403	3.4
73.06561	7.4
75.04468	12.4
79.05489	39.4
81.07056	53.0
83.04967	4.6
83.08620	7.4
85.06548	48.8
89.06015	12.4
91.05477	49.1
93.07055	46.8
94.97712	3.5
95.04980	6.2
95.08594	14.1
96.05785	3.7
98.98495	4.3
101.06008	10.5
103.05444	7.2
105.07040	100.0
107.08596	33.6
108.05767	5.4
109.06490	5.8
109.10191	17.1
111.08095	64.1
115.05453	6.1
115.07586	9.4
117.07038	26.1
119.08601	62.0
121.10144	40.9
123.08080	21.7
128.06236	13.5
129.07005	14.4
130.07784	20.3
131.08562	30.1
133.10143	31.5
135.08055	14.6
135.11668	8.8
137.09615	16.2
141.06996	7.0
141.09119	9.9
142.07782	19.6
143.08580	41.8
144.09297	4.2
144.48384	4.1
145.06485	5.0
145.09068	6.4
145.10139	91.1
147.08099	4.3
147.11674	15.2
149.09642	9.7
151.11208	16.8
152.11932	4.9
154.07802	8.0
155.01054	9.7
155.08582	8.1
156.09293	8.8
157.10149	53.0
159.11702	12.2
160.08784	4.6
161.09651	3.5
163.11194	4.8
165.07001	6.8
165.12718	6.5
167.08578	8.6
169.10136	29.8
171.11630	7.8
173.09567	5.5
173.13232	6.2
175.11211	34.4
175.14783	7.6
177.12708	12.5
179.08482	8.2
180.09271	7.4
181.10141	14.7
183.11676	10.2
185.13249	8.9
187.11194	5.2
187.14742	7.8
189.12776	10.4
193.10138	13.6
194.10939	8.9
195.11702	21.9
196.12491	4.7
199.11157	4.8
201.12732	13.4
201.16426	5.4
205.10068	4.4
207.11653	11.8
207.13531	3.3
209.13289	13.2
210.75183	3.6
211.14854	4.4
223.14703	4.0
231.17610	3.9
235.14799	13.9
237.16408	16.0
267.17441	9.4
269.19012	14.8
299.19983	3.7
421.30884	8.9
435.57590	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.5
55.05524	20.7
55.05746	4.4
59.05003	10.9
59.64807	3.3
67.05499	11.3
69.07053	5.3
69.19897	31.2
71.04993	12.0
73.06527	9.3
75.04469	10.9
78.21434	3.0
79.05497	36.2
81.07054	40.4
83.04965	3.6
85.06544	48.1
89.06006	6.4
91.05485	40.4
93.07045	42.9
95.04958	6.5
95.08607	18.9
96.05759	3.3
97.06519	3.5
98.40236	3.4
101.06009	5.8
103.05469	3.0
105.04544	3.5
105.07042	100.0
107.08609	16.0
109.06493	5.2
109.10164	17.5
111.08093	41.4
115.05447	6.4
115.07611	4.3
117.07031	17.9
118.57064	2.9
119.08591	55.3
121.06500	3.7
121.10158	28.9
123.08086	21.1
128.06244	14.3
129.06995	12.3
130.07765	16.9
131.08591	24.2
132.21721	2.9
133.10126	30.4
135.08070	9.2
135.11719	6.3
137.09628	14.4
139.83618	3.0
141.06995	6.7
141.09058	3.8
142.07811	20.0
143.08586	33.3
145.10130	65.6
147.11714	12.9
149.09612	9.7
151.11095	15.6
152.41855	3.0
153.06970	3.2
153.12698	5.0
154.07722	4.9
154.28189	3.3
155.08583	8.4
156.09341	10.5
157.10129	43.2
159.11725	14.5
160.08900	4.3
161.09633	4.8
165.06978	5.9
165.12758	6.9
166.07744	3.3
167.08551	8.6
168.09366	4.5
169.10129	25.5
171.11717	11.6
173.09601	6.4
173.13281	10.5
175.11198	24.9
177.12709	7.8
179.08542	12.8
181.10118	9.8
183.11684	6.2
187.11115	4.9
189.12769	7.6
192.88467	3.3
193.10127	9.5
194.10963	5.5
195.11731	17.0
197.13246	6.1
201.12743	9.5
201.16498	5.0
205.15907	4.4
207.11716	10.2
209.13231	11.5
211.14893	4.9
220.12534	5.0
235.14749	11.3
237.16365	10.9
239.14932	3.2
267.17517	5.4
269.19037	7.0
335.19141	3.2
400.25049	3.2
411.29358	3.6
421.30615	6.6
424.27512	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	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61327	0.7
53.19968	0.7
55.05503	0.7
57.07082	4.9
58.06595	1.8
67.05473	1.3
68.82603	0.8
69.07071	1.0
69.68711	5.0
70.06599	11.7
71.08618	2.6
79.05490	1.2
79.96021	0.7
81.07075	1.0
85.10197	1.2
88.07627	17.3
91.05498	5.4
98.21502	1.1
102.09184	12.1
109.10094	1.3
119.04951	2.2
133.10112	0.7
147.04422	60.6
147.05463	2.7
191.07039	70.3
219.06523	1.3
228.23297	1.3
235.35797	0.9
256.26358	40.8
257.27048	1.0
420.31128	100.0
421.31473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.05505	26.8
59.04990	20.2
61.79226	5.4
67.05495	20.2
69.07044	6.3
69.65154	23.7
69.65569	10.6
71.04990	14.6
72.58897	5.3
75.04469	20.6
76.79141	5.6
79.05509	35.3
81.07057	49.8
83.04990	7.5
83.08630	7.9
85.06552	54.8
89.06027	12.0
91.05479	44.6
93.07049	34.9
95.08618	18.3
98.20847	8.6
101.06023	22.9
105.07033	100.0
107.08588	25.7
109.06536	8.7
109.10165	15.0
111.08092	70.3
115.07555	18.7
117.07029	31.0
119.08592	63.5
121.10148	38.7
123.08066	20.4
123.11727	5.7
128.06219	14.2
129.07025	14.3
130.07785	16.7
131.08563	39.2
133.10126	19.9
135.08064	10.2
135.11665	7.8
137.09587	12.7
138.86578	5.5
141.09096	21.1
142.07779	18.7
143.08539	58.7
145.10133	77.5
147.11716	11.9
149.09634	22.0
151.11166	14.5
155.08539	17.2
156.09305	9.2
157.10147	44.0
159.11707	15.9
163.11252	8.3
169.10127	34.6
171.11763	9.4
173.09601	9.2
173.13284	7.3
175.11200	40.6
175.14798	7.5
177.12743	12.7
179.08548	12.8
181.10193	14.5
183.11685	13.3
185.13179	7.0
187.11269	9.6
189.12721	12.8
192.09412	9.3
193.10077	9.8
195.11758	14.4
201.12799	19.1
206.10945	11.3
207.11723	17.4
209.13252	14.6
219.11790	6.6
220.12431	16.6
221.13208	8.3
235.14795	17.3
237.16446	10.6
267.17398	16.3
299.20108	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	419.1528
Annotation	Itoside I
Peak:m/z	Relative Intensity
51.15891	0.3
56.05041	0.5
66.94441	0.3
70.06599	1.6
70.76015	0.7
72.08142	0.4
81.07003	0.3
84.04498	0.5
84.08152	0.9
85.02912	0.5
86.09733	1.9
90.97457	0.3
104.23221	0.4
110.07110	0.3
119.01884	0.3
155.71623	0.3
160.05075	0.5
163.03996	0.5
169.75066	0.3
173.06683	0.3
173.12801	0.5
192.07738	0.8
201.12527	0.4
275.11078	4.0
308.64279	0.3
317.12137	0.7
335.11984	0.8
357.15222	9.5
359.13171	4.6
401.14322	0.8
419.15283	100.0
420.15662	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	419.1528
Annotation	Itoside I
Peak:m/z	Relative Intensity
58.69770	0.6
69.20727	5.1
70.06579	1.7
72.08168	1.7
74.06038	0.7
84.04490	0.6
84.08147	1.6
85.02919	1.1
86.09718	1.9
103.75375	0.5
105.05975	0.7
113.02368	1.7
116.07064	0.7
125.14182	0.5
127.03930	0.9
163.03896	1.0
275.11020	3.9
317.12082	0.9
357.11371	1.1
357.15253	8.9
359.13199	5.3
401.13907	1.0
419.15311	100.0
420.15662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.01873	5.9
55.05318	1.1
55.05518	13.5
57.03426	2.8
60.42588	1.8
65.03951	2.0
67.05510	15.8
69.03433	3.6
69.07063	10.5
70.76460	2.8
71.04996	1.5
79.05501	25.4
81.03420	3.8
81.07060	39.4
83.04978	5.3
83.08624	6.2
83.72455	1.4
85.02905	3.5
91.05479	16.6
93.07047	15.2
95.04968	13.6
95.08607	9.5
97.06532	1.8
97.10159	10.5
97.66431	1.3
104.04406	1.1
105.07023	16.0
107.04978	6.4
107.08605	9.1
109.06493	7.3
109.10162	6.8
109.63533	1.8
111.04433	2.5
111.08128	3.1
117.07011	10.2
117.12634	1.3
119.04931	5.4
119.08581	26.2
121.06572	7.6
121.10162	7.3
123.08065	17.9
125.09617	7.6
129.07005	5.2
131.08577	10.0
133.00566	2.8
133.06516	2.7
133.10165	4.2
135.08032	7.0
135.11684	2.5
143.08566	5.1
145.10104	11.4
147.08047	13.8
147.11758	2.2
149.09605	4.6
153.09102	2.0
155.08519	1.4
157.10173	3.8
159.08087	1.7
159.11700	4.6
161.09625	6.7
163.11194	5.7
165.09146	2.1
169.10158	2.0
171.11722	2.6
173.09610	1.4
175.11230	2.1
189.11266	3.9
193.12111	1.5
205.12393	1.4
219.13812	6.2
223.13318	4.8
227.12857	1.6
227.17842	2.4
245.13794	1.3
249.14934	3.2
255.17496	3.6
273.18497	35.6
291.19553	100.0
309.16156	5.5
311.18381	4.7
327.17227	2.7
347.21994	1.7
365.23315	12.9
401.20871	30.6
415.27881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	0.4
56.05037	0.4
60.04540	0.4
69.03433	0.5
69.07072	0.5
69.39433	0.8
69.39844	1.9
70.06608	2.6
72.08163	1.0
81.03445	0.4
84.04517	0.7
84.08169	2.2
85.02905	0.7
86.09733	1.7
110.07198	0.7
117.03391	1.1
118.03690	0.8
120.08119	0.5
127.03914	0.8
129.10304	0.5
136.07539	0.4
137.06013	0.5
145.02910	1.7
146.03181	1.6
147.04398	0.4
149.02451	0.4
155.45711	0.4
160.05103	0.5
177.05463	2.2
178.05836	3.5
192.07759	0.8
219.13408	0.5
225.09068	0.4
226.95316	0.5
229.07062	0.4
275.11145	3.5
317.08472	4.4
317.11838	0.8
357.15210	8.6
359.13174	4.5
401.13968	0.6
419.15271	100.0
420.15765	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86470	1.3
55.01861	1.8
55.05486	1.5
57.03440	11.4
61.02922	1.7
67.01839	1.9
67.05501	1.6
68.99790	5.3
69.03431	48.3
69.07039	2.6
69.65826	2.4
69.66238	5.8
70.06581	5.9
71.04998	30.8
72.08161	2.3
73.02921	1.9
79.05491	4.2
81.03422	3.9
81.07046	2.8
84.08140	5.2
85.02909	52.7
86.09695	3.1
87.91279	1.4
91.05479	4.5
95.04960	5.5
95.08633	2.1
98.21538	1.9
99.04438	2.4
100.11269	1.5
105.07004	2.1
107.01319	1.5
107.04959	13.1
107.08567	2.7
109.02872	4.7
111.00807	2.9
111.04445	6.5
119.04922	5.8
120.08097	2.2
121.02844	5.6
121.06458	3.7
123.04425	5.2
125.02329	4.5
125.05987	4.8
127.03951	1.9
129.05479	8.8
129.10252	1.9
131.04860	1.8
133.06458	1.4
135.04424	32.0
137.09619	1.9
147.04420	29.9
147.06314	1.7
149.02333	5.2
149.05997	3.5
151.02011	1.4
151.03842	1.6
153.01837	25.8
153.05437	1.7
153.80144	1.4
159.08008	1.7
163.03886	7.3
165.01846	35.7
171.02885	4.3
171.04370	2.0
175.03995	2.0
177.01846	10.7
177.05467	3.8
179.03409	4.4
182.15407	2.1
183.02876	14.0
187.07495	1.7
191.03386	17.1
193.05045	1.9
195.02893	100.0
203.03416	15.8
207.02882	4.4
213.03876	1.7
217.05009	10.9
219.02890	34.9
221.04489	7.5
237.03938	1.9
245.04460	59.0
246.04680	1.4
251.10080	1.3
263.05521	79.0
273.07584	33.3
281.06583	7.4
285.07504	8.1
287.05435	5.3
297.07654	7.2
299.07809	2.3
315.08627	20.5
323.09299	4.5
339.08670	26.9
341.10315	1.6
365.10172	25.2
383.11240	46.0
384.11819	1.5
401.12045	11.4
419.13226	23.5
419.17987	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	419.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.6
55.05512	36.4
55.80674	2.1
56.05838	9.1
56.96556	13.9
57.03423	2.4
57.07082	5.0
67.05529	2.5
69.03429	2.9
69.07056	3.8
69.76540	11.6
70.06594	13.9
71.04975	2.8
72.08147	5.2
73.06560	7.3
81.03415	5.5
81.07036	7.2
84.08136	8.2
84.96033	10.0
85.02893	11.3
85.06536	3.1
86.06086	2.8
86.09698	7.9
91.07605	27.2
92.07935	6.1
97.02925	3.0
97.29430	1.9
98.97592	65.4
99.04458	3.6
99.08079	4.2
107.08553	2.6
108.21288	2.1
109.02900	2.9
109.06522	2.3
110.07126	3.1
110.97582	16.0
112.99120	8.1
116.98611	18.5
118.09451	2.1
123.08053	6.4
123.11752	2.4
124.99099	4.5
126.96957	2.2
127.03936	7.0
128.98592	7.2
129.10258	3.0
129.56853	2.4
131.00146	4.5
140.98610	7.3
143.00172	9.5
144.98122	4.7
145.04974	3.7
146.99634	3.9
149.02333	25.1
150.02676	16.8
152.98616	8.2
153.12746	6.5
155.14349	7.6
158.99670	12.8
161.01199	5.9
170.99675	8.3
171.07443	2.3
177.00725	8.8
189.00667	2.8
201.00703	6.3
203.29097	2.1
219.01753	20.7
222.08388	6.7
231.90448	2.6
237.02846	19.7
243.23485	2.2
246.16437	2.7
273.27069	2.2
275.07965	24.6
293.09091	100.0
293.12427	4.9
311.10132	6.6
316.10675	3.5
317.09058	14.4
335.10117	61.5
359.10181	24.4
377.11209	16.0
419.13110	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01865	4.4
55.05519	8.4
57.03417	2.6
57.07067	2.7
65.03937	2.0
67.05504	14.1
69.07062	5.1
69.15415	15.0
70.06581	3.6
71.04992	2.1
79.05492	19.0
80.06274	3.1
81.03416	12.5
81.07064	20.6
82.04195	3.3
83.04976	4.4
91.05486	18.8
92.06267	3.0
93.07055	18.2
94.04165	3.9
94.07808	1.9
95.04967	59.2
95.08597	12.0
96.05742	6.4
97.06520	3.8
98.07299	5.4
98.21602	3.2
105.07048	12.7
106.07813	6.7
107.04960	80.2
107.08583	8.5
108.05753	7.2
108.09344	2.7
109.06513	17.2
109.10167	3.6
110.07301	47.7
111.08067	3.5
115.05429	2.5
117.07027	19.5
118.07813	3.2
119.04974	2.2
119.08585	11.2
120.05690	1.8
120.09338	3.0
120.25968	1.5
121.06490	15.1
121.10147	5.7
122.07287	6.9
123.08072	26.2
123.11719	1.5
129.06998	3.8
130.07837	1.6
131.08556	24.5
132.09334	9.1
133.06499	21.7
133.10146	4.8
134.07278	2.5
134.10902	2.9
135.08093	13.9
135.11688	3.2
136.08826	5.2
137.09636	2.3
143.08542	4.3
145.06438	2.8
145.10130	16.7
146.10909	55.3
147.08047	24.4
147.11688	8.1
148.08806	5.6
149.09630	48.8
157.06413	1.9
157.10092	3.2
159.08057	2.7
159.11713	11.7
160.12387	3.7
161.09613	6.6
162.10399	2.9
163.11166	12.3
164.11969	7.0
165.12747	2.2
173.13243	3.5
174.14021	2.1
175.11133	4.6
176.12132	1.9
177.12700	3.8
178.13594	2.5
185.13310	2.4
186.21434	1.5
187.14784	4.2
199.14836	1.7
203.14417	1.8
205.12132	2.6
217.15868	6.4
227.14339	3.7
231.17577	3.0
245.15396	13.4
246.19789	11.6
256.18369	1.9
259.16977	2.0
273.18427	5.0
274.19281	100.0
275.19479	2.8
291.19412	2.0
292.20334	23.9
324.65781	1.9
356.35162	4.9
418.39032	8.3
419.10703	2.3
419.38831	1.9
442.03864	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0976
Annotation	Juglanin
Peak:m/z	Relative Intensity
50.08113	0.2
50.86708	0.2
53.03937	0.2
55.05496	0.4
57.03432	0.2
57.82823	0.2
58.30020	0.2
59.23448	0.2
63.11667	0.2
64.30866	0.2
67.01855	0.5
68.05012	0.3
68.99786	0.3
70.06590	1.4
70.66262	0.5
72.08138	0.5
73.02909	0.5
79.05480	0.3
81.07050	0.5
84.08121	0.9
85.02895	0.4
86.06066	0.9
86.09694	0.6
91.05453	0.2
92.26380	0.2
93.07047	0.3
97.10152	0.5
107.04951	0.4
107.08586	0.4
109.02830	0.2
109.10098	0.2
119.04945	0.3
120.08071	0.3
127.03894	0.4
129.10272	0.3
135.04431	1.4
137.02318	0.4
149.02307	0.2
151.98566	0.2
153.01845	5.2
158.02197	0.2
161.02306	0.5
164.04073	0.2
171.02879	0.4
179.03467	0.5
241.04965	0.6
269.04471	0.5
287.05518	100.0
288.05902	1.2
419.09747	22.7
420.10126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90307	0.5
52.08644	0.4
57.34029	0.3
69.25597	3.3
73.06566	1.2
77.58942	0.4
79.05481	0.5
93.07049	1.3
98.20773	0.8
100.18481	0.4
103.05483	5.8
107.04966	1.1
115.58926	0.4
120.08119	100.0
121.08461	0.7
131.04956	2.2
149.06000	1.5
166.08658	59.7
167.09021	0.9
261.81662	0.5
377.91458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
54.40231	1.2
55.05515	100.0
57.05350	1.4
69.03431	1.7
69.08823	1.7
70.06601	9.2
71.25003	2.0
72.08144	2.0
73.06560	18.6
81.03450	1.9
84.08152	6.8
85.02918	5.6
86.06074	2.0
86.09718	7.3
86.53557	1.5
91.05493	3.3
91.07600	74.4
93.07062	2.1
97.02925	1.5
98.97589	3.1
103.21284	1.3
107.08618	2.2
110.07166	1.5
119.04944	2.7
119.08546	1.3
120.08072	2.9
121.02886	4.0
123.08080	6.1
126.79432	1.6
127.03931	2.2
129.10219	2.6
130.04962	1.8
141.13301	1.5
147.04425	5.4
149.02350	91.0
151.07542	3.0
158.99748	1.4
167.03520	1.6
167.07065	3.7
175.11124	1.4
179.10692	2.4
221.08125	22.3
221.11668	12.7
239.09186	7.7
293.09085	2.1
335.10196	1.8
394.08945	1.4
401.13507	1.8
402.80161	1.4
419.13229	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	418.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90665	0.5
54.77584	0.6
56.05024	0.8
60.04545	0.6
62.15799	0.6
63.02369	0.6
70.06598	5.8
71.43464	1.1
72.08146	2.4
74.06056	1.5
83.45726	0.6
84.04495	1.4
84.08147	2.8
85.02899	1.0
86.06049	1.0
86.09708	4.0
87.10020	0.8
89.03913	6.4
91.05447	1.6
95.04978	0.6
98.97552	1.1
100.07638	0.7
103.05476	0.7
110.07143	1.0
117.03379	19.2
120.08080	1.0
125.06089	0.5
127.03889	0.6
129.10213	1.6
130.06552	0.6
134.03593	1.3
135.04396	1.4
137.05901	0.9
143.26668	0.6
145.02852	47.6
147.04439	1.1
149.05972	7.1
160.05075	2.7
163.03897	2.2
167.01648	1.0
173.09251	0.7
177.05476	100.0
178.05875	1.4
187.60811	0.5
192.07726	3.6
204.13487	0.6
266.10233	0.8
301.18701	1.3
309.08881	0.6
357.15091	1.0
359.13144	0.7
377.01761	0.9
419.15259	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	417.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60523	7.7
55.05509	15.2
62.67721	5.8
64.49900	6.8
67.05505	21.2
69.07069	19.7
69.21780	52.5
69.22195	13.9
73.11398	6.4
79.05492	24.9
79.73572	6.5
81.07069	66.4
91.05482	43.0
93.07044	38.8
93.26733	7.7
95.04973	15.4
95.08619	31.5
105.07053	86.9
107.08611	45.2
109.06534	100.0
109.10156	25.4
111.08080	11.8
117.07008	16.0
118.04221	6.3
119.08595	55.5
121.10157	71.0
123.08083	18.6
123.11720	23.5
125.33506	6.1
128.06233	6.0
129.06964	17.5
131.08585	36.0
132.99213	7.7
133.10162	61.1
135.08078	29.0
135.11700	18.0
137.13280	7.0
139.60309	5.8
141.06999	13.5
142.07788	14.3
143.08618	43.7
145.10149	48.3
147.08041	17.7
147.11679	20.0
149.09627	11.8
151.07538	9.4
153.07031	6.3
155.08556	22.9
156.09326	19.2
157.10178	46.9
159.08089	14.9
159.11719	28.0
159.19258	7.0
160.14143	6.0
161.09641	16.7
161.13281	10.3
165.06998	8.2
167.08592	16.6
169.10138	31.0
171.11731	42.6
173.09634	15.6
173.13275	22.6
175.11166	11.2
179.08618	15.8
180.09314	13.2
181.10078	16.9
183.11659	27.8
185.09692	6.0
185.13336	10.1
187.11150	15.3
187.14856	8.5
189.12721	7.0
192.09392	7.5
193.10110	14.1
194.10924	8.4
195.11699	37.0
197.13313	22.4
199.11220	17.3
199.14854	7.6
201.12779	12.8
206.10762	7.2
207.11743	22.3
208.12300	8.6
209.13231	26.5
211.11266	7.6
211.14819	16.3
213.12790	10.7
213.16252	9.7
215.14336	8.8
219.11720	8.2
221.13252	20.6
225.12868	10.9
225.16129	6.7
227.14359	13.0
231.11740	7.5
233.13301	17.8
235.14839	12.7
237.12741	8.6
237.16409	7.4
239.14374	14.2
245.13316	8.8
247.14890	8.0
253.16025	8.8
275.17871	8.1
279.17365	11.8
281.18863	7.9
283.20554	11.8
283.59802	6.4
295.17093	9.0
301.19727	6.9
359.23718	15.6
375.27072	13.2
381.25644	7.2
399.26917	21.8
417.27969	97.6
417.37271	17.1
424.06879	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	417.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	15.9
57.03429	6.4
57.07069	8.3
61.02936	5.1
67.05238	2.8
67.05516	28.9
67.13421	3.0
69.03435	4.3
69.07080	33.4
70.06599	4.9
70.52122	2.6
71.04976	5.1
71.08628	10.6
71.52827	3.4
73.02906	2.7
76.03993	12.3
79.05504	18.5
81.03413	7.6
81.07063	36.0
83.04971	4.5
83.06141	2.6
83.08635	20.6
84.08141	3.0
85.02895	10.8
85.06555	5.2
85.10176	5.9
89.60898	3.2
90.05565	100.0
91.05472	10.7
93.07072	19.3
95.05024	4.7
95.08170	2.6
95.08629	33.0
97.02869	5.5
97.06539	5.5
97.10176	15.6
98.82631	2.8
99.08076	9.2
104.26689	2.8
105.07078	13.8
107.08615	17.8
108.97372	2.8
109.02860	2.7
109.06515	3.7
109.10185	17.1
111.11715	6.4
113.09624	4.7
115.05048	4.6
117.07030	6.5
119.08575	12.4
121.10128	10.4
123.08042	8.1
123.11752	6.5
125.06021	3.2
125.09651	3.0
131.08563	3.7
133.10136	12.4
135.08069	3.9
135.11705	19.5
137.09610	5.4
137.13213	4.7
145.10173	4.7
147.07646	29.1
147.11671	6.2
149.13298	3.8
151.14908	2.9
160.46074	3.7
161.09566	4.1
161.13251	5.4
163.11180	6.0
167.07074	8.2
181.04929	3.0
181.12352	7.0
214.62738	3.3
217.19514	13.8
235.20552	12.6
245.10437	3.0
253.21608	12.8
254.24828	20.6
255.15892	12.5
264.23224	18.8
271.22711	45.6
274.21692	2.9
282.24301	26.5
292.22717	31.0
310.23785	90.3
310.27380	4.7
328.24866	6.7
334.20877	2.7
381.27444	4.3
417.21457	3.8
417.26819	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	417.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.8
53.03939	10.4
55.01877	17.5
55.05515	34.2
57.03444	8.0
65.03938	8.6
67.05507	32.8
68.19054	3.3
68.57075	3.5
69.03453	8.7
69.07069	18.0
69.52892	23.3
71.05000	6.0
79.05496	54.4
79.65446	3.6
81.03425	7.9
81.07058	46.4
83.04974	4.8
83.08633	10.4
85.06509	4.4
91.05479	33.9
93.07058	55.5
95.04981	27.2
95.08614	22.4
97.06517	5.2
97.10175	11.2
98.21400	7.6
105.07040	32.8
107.04969	11.6
107.08595	42.5
107.27790	4.3
109.02892	5.5
109.06513	16.4
109.10159	12.5
115.05488	8.7
117.07020	27.7
117.99720	3.8
119.08584	38.8
120.18592	3.8
121.06503	13.2
121.10155	11.6
123.08060	14.6
125.09624	20.3
129.07034	9.9
130.99010	3.8
131.08568	17.0
133.06519	9.9
133.10155	12.9
135.08076	72.0
135.11726	4.6
137.06036	3.8
137.09628	17.2
143.08553	10.4
145.06497	24.2
145.10149	11.8
147.08075	7.0
149.09615	8.1
151.07599	5.8
151.11189	4.9
155.08537	6.0
157.04041	3.9
157.10149	9.5
159.08070	16.6
159.11700	7.0
161.09654	14.5
163.07556	46.7
163.11194	12.9
171.05721	13.7
171.11725	4.4
173.09697	5.3
179.08386	3.4
179.10817	4.4
187.11208	5.4
189.11302	8.8
189.12816	4.0
191.10588	5.0
199.05257	12.4
199.11205	5.1
215.16324	5.7
225.16490	5.1
234.90855	3.9
243.17538	11.2
261.18640	5.3
271.16989	22.3
279.15134	7.8
284.91791	4.3
289.17960	57.1
307.14716	8.2
324.08417	5.0
325.15585	12.2
363.21945	8.2
399.19336	100.0
403.63043	3.7
417.26563	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	417.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36403	2.4
53.03938	3.8
55.01875	40.2
55.05514	22.9
57.03440	44.6
57.07080	3.6
59.05011	2.9
61.02922	5.4
64.62616	2.2
65.03939	2.5
67.05510	33.1
67.08978	2.4
68.06284	3.8
69.03415	8.8
69.07070	16.5
71.04974	6.7
71.52251	3.1
73.02921	20.0
79.05496	32.7
80.06271	2.8
81.03416	7.5
81.07062	32.3
83.04996	24.9
83.08625	7.2
85.06565	3.5
87.04446	2.9
91.05482	21.1
92.06248	2.6
93.07055	22.6
95.04976	22.2
95.08616	20.5
96.05750	12.2
96.44873	2.8
97.06528	8.5
97.10172	5.4
98.07291	3.6
101.06024	4.3
102.39324	2.5
105.07037	22.9
106.67648	2.8
107.04969	8.1
107.08597	16.7
109.06524	21.9
109.10156	12.2
116.04712	34.5
117.07033	10.7
119.08582	15.4
121.06512	3.9
121.10135	9.9
123.08058	7.8
125.09636	10.6
127.07535	2.9
128.06203	4.6
129.05487	100.0
129.07022	8.8
131.08568	16.0
133.06473	5.0
133.10127	6.5
135.08037	8.6
136.08878	2.6
137.09636	8.6
138.10451	4.6
143.07042	23.9
143.08557	10.5
145.06454	4.0
145.10107	10.6
147.07990	7.1
149.09622	12.0
151.07567	5.2
155.08644	4.6
157.06570	3.8
157.08624	52.8
157.10042	6.1
159.08086	5.4
159.11691	7.6
161.09599	6.2
163.11205	4.2
167.08575	4.9
167.10651	6.0
169.10130	4.2
171.08093	5.0
171.10213	15.0
171.11584	4.6
173.07292	5.8
173.09653	7.9
173.13274	5.5
175.11226	4.2
181.10098	3.2
183.11720	3.4
185.09653	3.8
185.11752	3.3
185.13281	2.9
187.11143	4.8
189.11200	4.7
189.12817	3.1
197.13203	3.2
197.89632	2.5
199.11198	6.7
200.14096	15.0
201.12717	2.9
211.15042	2.7
213.12778	3.1
221.11800	3.3
223.13228	3.5
227.17906	3.3
237.16457	3.1
273.18521	10.2
297.22144	4.2
309.16171	3.4
325.21768	18.6
343.22623	5.6
399.19287	3.5
399.25110	5.5
417.20358	64.2
417.26340	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	417.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36403	2.4
53.03938	3.8
55.01875	40.2
55.05514	22.9
57.03440	44.6
57.07080	3.6
59.05011	2.9
61.02922	5.4
64.62616	2.2
65.03939	2.5
67.05510	33.1
67.08978	2.4
68.06284	3.8
69.03415	8.8
69.07070	16.5
71.04974	6.7
71.52251	3.1
73.02921	20.0
79.05496	32.7
80.06271	2.8
81.03416	7.5
81.07062	32.3
83.04996	24.9
83.08625	7.2
85.06565	3.5
87.04446	2.9
91.05482	21.1
92.06248	2.6
93.07055	22.6
95.04976	22.2
95.08616	20.5
96.05750	12.2
96.44873	2.8
97.06528	8.5
97.10172	5.4
98.07291	3.6
101.06024	4.3
102.39324	2.5
105.07037	22.9
106.67648	2.8
107.04969	8.1
107.08597	16.7
109.06524	21.9
109.10156	12.2
116.04712	34.5
117.07033	10.7
119.08582	15.4
121.06512	3.9
121.10135	9.9
123.08058	7.8
125.09636	10.6
127.07535	2.9
128.06203	4.6
129.05487	100.0
129.07022	8.8
131.08568	16.0
133.06473	5.0
133.10127	6.5
135.08037	8.6
136.08878	2.6
137.09636	8.6
138.10451	4.6
143.07042	23.9
143.08557	10.5
145.06454	4.0
145.10107	10.6
147.07990	7.1
149.09622	12.0
151.07567	5.2
155.08644	4.6
157.06570	3.8
157.08624	52.8
157.10042	6.1
159.08086	5.4
159.11691	7.6
161.09599	6.2
163.11205	4.2
167.08575	4.9
167.10651	6.0
169.10130	4.2
171.08093	5.0
171.10213	15.0
171.11584	4.6
173.07292	5.8
173.09653	7.9
173.13274	5.5
175.11226	4.2
181.10098	3.2
183.11720	3.4
185.09653	3.8
185.11752	3.3
185.13281	2.9
187.11143	4.8
189.11200	4.7
189.12817	3.1
197.13203	3.2
197.89632	2.5
199.11198	6.7
200.14096	15.0
201.12717	2.9
211.15042	2.7
213.12778	3.1
221.11800	3.3
223.13228	3.5
227.17906	3.3
237.16457	3.1
273.18521	10.2
297.22144	4.2
309.16171	3.4
325.21768	18.6
343.22623	5.6
399.19287	3.5
399.25110	5.5
417.20358	64.2
417.26340	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	416.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70534	1.0
69.03435	3.4
69.07087	1.4
71.06666	1.5
71.06995	2.0
78.33391	1.1
79.05518	1.9
80.49722	1.1
81.07059	4.8
81.32505	1.2
91.05482	2.4
93.07069	1.5
95.04974	1.3
95.08597	1.3
96.12228	1.0
98.74647	0.9
105.07036	2.4
107.04932	1.6
107.08607	11.4
109.06538	4.5
109.10171	3.1
117.07085	1.4
119.08575	2.1
121.10167	7.4
122.07299	1.6
131.08582	1.5
133.10141	100.0
135.08063	9.1
135.11732	1.4
137.09630	46.6
147.11658	1.8
149.13277	11.2
163.14853	1.6
173.13208	6.2
190.53519	1.2
191.14322	73.8
193.09654	1.0
197.70882	1.0
209.15382	46.1
230.86008	1.0
260.60153	1.0
273.60422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02377	0.4
62.21432	0.3
66.19106	0.4
67.05511	0.4
69.03432	0.8
69.07055	0.4
69.40493	2.7
70.06587	1.5
72.08148	0.7
79.05507	0.5
81.03420	0.4
81.07071	0.7
84.08142	1.0
85.02899	1.1
86.09730	2.2
89.39024	0.4
93.07045	0.7
95.05002	0.7
95.08569	0.6
97.02868	0.5
105.07031	0.8
107.04979	0.5
107.08643	0.8
109.02869	0.7
109.06533	0.6
109.10139	0.7
110.07253	0.5
119.04924	0.5
119.08594	0.7
119.67136	0.4
120.08025	0.4
121.02848	0.6
121.10180	0.6
123.04443	0.7
123.08163	0.5
127.03948	0.4
129.10275	0.5
133.10143	3.6
134.10472	2.3
137.09685	2.2
138.09958	1.3
145.05000	0.4
147.04411	1.3
147.08018	0.5
149.13329	0.5
149.16530	0.4
151.03819	0.4
161.05936	0.4
163.03987	0.4
165.01840	2.0
167.07083	1.0
169.12297	0.4
173.13335	0.5
177.01791	0.9
179.85983	0.4
183.02899	0.9
191.03442	2.2
191.14342	2.3
192.14694	3.0
209.15405	1.2
210.15724	1.8
219.02933	3.9
231.03014	1.5
243.02989	0.6
249.03880	0.5
252.46053	0.4
261.04031	1.1
273.13147	1.1
279.05222	0.4
285.07697	1.5
297.07541	1.4
339.08618	2.7
351.08734	0.6
355.17310	4.2
357.15387	1.4
381.09851	0.6
399.10800	1.0
399.15982	0.8
417.17361	100.0
418.17636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01865	5.3
55.05513	23.4
57.03435	2.7
67.05182	1.6
67.05508	18.9
69.03408	1.8
69.07059	6.0
69.16807	1.4
70.26459	1.5
70.57030	4.4
71.04980	1.9
71.28880	1.5
72.12506	1.2
79.05077	1.7
79.05498	23.0
81.03414	3.7
81.06599	2.5
81.07060	45.0
83.04986	9.2
83.08620	11.1
85.02934	2.1
91.05471	12.0
93.07056	14.0
95.04964	10.2
95.08604	8.2
97.06554	3.7
97.10172	18.6
105.07037	8.5
107.04962	7.5
107.08591	11.9
109.06506	8.4
109.10137	5.3
111.04452	11.3
111.08075	4.7
117.07004	9.7
119.08598	16.6
121.06517	5.5
121.10136	8.1
123.08058	7.8
125.09640	12.6
129.06995	5.8
131.08575	9.4
133.10138	5.8
135.08037	5.3
135.11691	4.3
137.09616	2.8
143.08568	6.2
145.10120	18.5
147.08084	12.9
147.11693	3.6
149.09637	7.1
153.09106	2.8
153.12721	3.3
155.08554	2.7
157.10159	4.5
159.07979	1.7
159.11671	4.0
161.09631	5.7
163.11147	10.5
165.09142	2.8
167.14586	1.4
169.10118	1.9
170.43845	1.5
171.10126	3.5
171.11693	4.2
173.09619	5.9
175.11192	2.2
181.10243	1.5
181.12219	5.4
185.13188	2.8
189.09480	1.8
189.11208	13.1
189.12762	2.3
191.10695	10.6
209.11734	4.3
223.13313	3.3
227.12740	4.7
227.17981	2.3
237.16240	2.0
245.18912	3.3
249.14839	2.5
255.17476	6.4
265.51730	1.3
273.18503	47.0
291.19559	100.0
292.19852	1.8
309.20590	1.7
352.38266	1.5
363.18127	8.1
381.19128	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	416.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05503	0.6
57.03436	0.4
60.40104	0.4
65.03944	4.8
69.03085	0.5
69.03435	3.9
69.58498	1.7
69.58908	0.6
70.06609	0.5
71.04980	1.1
73.02921	1.0
74.65581	0.4
76.88212	0.4
80.05022	0.7
80.37595	0.4
81.03432	4.0
83.04977	1.1
83.41212	0.4
85.02439	0.7
85.02912	9.7
92.05011	33.3
93.05802	2.8
94.06567	1.2
97.02907	3.8
99.04469	7.2
103.03958	6.4
109.02897	4.8
110.06049	100.0
111.06374	0.6
121.06519	0.7
127.03923	12.7
142.65080	0.4
145.05014	2.7
147.04373	0.6
152.07063	1.1
187.06000	0.8
254.10272	1.3
272.11328	2.5
354.15546	2.0
380.13269	0.6
398.14365	1.1
416.15521	52.3
417.15747	0.8
428.61087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89933	1.2
55.05517	2.1
57.03445	1.8
57.37137	1.4
65.03973	1.6
67.05502	1.3
69.03420	4.4
69.07064	3.6
69.41606	1.3
69.65522	4.7
69.65937	3.0
70.06610	11.1
72.08157	5.2
73.02936	1.5
79.05492	2.4
81.03423	3.1
81.07061	3.5
84.04510	2.8
84.08153	8.7
85.02894	8.5
86.06059	1.8
86.09709	27.3
86.31422	1.4
91.05480	12.4
92.02985	1.2
93.07042	2.3
95.04987	1.5
97.02901	2.8
99.04481	2.4
103.03957	2.5
103.05486	3.2
105.07027	4.5
107.08606	2.3
109.06497	2.4
110.07176	1.9
111.04418	2.7
115.05433	2.1
117.07002	1.5
117.44145	1.4
119.04951	4.7
119.08600	2.3
120.08113	4.7
121.06493	2.1
122.03661	3.9
123.08065	13.3
125.05974	1.6
127.03905	6.3
128.06284	2.5
129.07011	5.1
129.10239	3.6
131.04890	4.0
131.08578	5.0
135.08078	1.6
136.07571	1.3
137.05989	63.2
138.06522	1.6
141.07018	2.4
142.07764	2.4
143.08495	1.5
143.11804	3.7
144.05705	1.6
145.04912	3.2
145.06473	2.4
147.04388	1.9
147.11652	1.5
149.06125	1.6
151.07582	10.1
153.07007	1.6
155.08546	4.1
157.06525	2.3
157.10104	2.5
158.07291	2.5
159.08055	3.9
161.06030	10.0
161.09642	4.5
163.03946	1.5
165.06992	4.5
167.08507	1.8
167.10747	2.6
169.06471	2.8
170.07225	1.6
171.08139	3.4
171.11285	1.3
171.64059	1.4
172.08858	5.5
173.09616	4.6
174.06793	3.4
175.07573	3.9
181.06480	2.4
182.07332	7.4
183.04373	1.8
183.08075	4.6
184.05301	1.9
184.08806	2.1
185.06047	2.0
185.09625	10.3
187.07625	5.1
187.11118	3.2
189.09186	3.9
189.12790	1.9
191.07019	4.6
191.10695	1.5
194.07396	3.1
197.06036	2.5
197.09592	9.9
198.06764	15.9
199.07495	7.8
199.11160	2.2
200.08369	2.9
201.09116	4.7
201.12491	1.6
210.06781	3.4
211.07507	3.0
212.08298	3.6
213.07323	1.9
213.09158	25.3
215.10712	4.8
217.08466	1.6
219.10194	2.7
225.09140	11.0
228.07802	1.5
231.10204	3.6
235.13274	3.3
235.16963	2.1
243.07784	1.6
243.10205	25.4
245.18701	2.0
253.14455	1.7
255.05238	2.3
255.10175	5.7
257.09677	1.7
261.08920	2.5
261.11328	4.2
265.08517	1.6
273.11230	73.5
274.09723	1.5
275.10834	1.4
277.08777	1.6
284.19681	3.1
285.09042	1.4
289.08780	2.0
291.10049	3.2
302.15067	1.9
303.10184	2.3
305.11807	2.9
307.09732	3.3
308.10202	1.6
317.11743	1.9
318.12662	1.8
321.11255	4.9
333.11221	2.4
335.12750	1.9
347.12543	1.8
349.14349	5.1
351.12427	3.2
353.13788	2.1
354.14682	6.8
367.15335	5.9
379.15268	5.2
397.16498	100.0
398.16760	2.5
415.13565	10.7
415.19290	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	414.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
56.84121	0.8
57.03428	1.3
61.02926	0.9
69.03438	8.8
70.05493	1.0
70.06590	1.3
70.56495	2.8
71.04991	4.2
72.08138	1.2
73.02915	3.8
73.06553	1.6
81.03426	11.8
84.08119	0.9
85.02910	71.1
97.02900	18.7
99.04465	36.9
99.05122	1.8
103.03947	100.0
109.02886	12.8
127.03925	97.1
145.04968	69.3
158.72301	1.1
163.06026	65.6
187.06033	4.0
205.07030	5.0
266.34857	0.9
271.08099	5.9
289.09210	7.1
307.10287	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	415.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09688	0.5
62.98754	0.8
62.99081	13.9
64.96948	0.4
65.00647	8.8
67.05525	0.5
69.03429	1.4
70.06596	1.0
71.51234	0.6
73.01141	0.7
73.02921	0.5
81.00124	1.8
81.03445	0.9
85.02914	4.8
85.06516	0.7
86.09699	0.7
91.02206	2.4
92.05017	0.8
96.24564	0.6
97.02908	2.7
99.04481	2.9
103.03948	4.4
109.03230	100.0
110.06065	4.1
113.42724	0.5
120.08147	2.9
120.99998	0.5
127.03934	7.0
129.81548	0.5
135.04433	0.8
145.02838	0.9
145.04971	2.8
152.04582	0.6
163.03896	4.1
163.06027	1.2
166.08727	1.6
172.75298	0.4
177.07166	0.5
271.08331	1.1
381.28726	0.5
416.15457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01877	4.3
57.03199	1.3
57.03446	7.3
57.09552	1.2
58.58031	1.3
61.02933	6.5
69.03438	14.7
70.06606	3.4
71.04993	4.1
71.30284	1.7
73.02921	24.1
73.06560	1.3
79.58037	1.1
81.03430	12.3
84.08136	2.0
85.02914	88.3
86.06100	1.1
86.09739	1.3
87.04478	1.7
91.03939	2.3
97.02902	35.3
97.03513	1.9
99.04466	42.2
99.05116	2.2
103.03954	92.2
109.02904	14.9
115.03939	9.5
127.03933	100.0
128.36639	1.1
130.88892	1.3
133.04988	10.3
145.04971	71.4
150.07675	1.9
163.06030	66.1
172.03241	1.2
180.08675	1.4
181.05028	1.4
187.06053	5.3
205.07137	5.0
241.07083	1.6
259.08160	2.7
271.08160	9.8
284.59769	1.1
289.09097	8.0
307.10284	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19999	3.4
53.91557	3.7
54.48299	3.7
55.93530	27.2
69.03423	12.3
69.72423	6.6
69.72742	21.1
71.93008	13.9
72.08164	36.8
72.93790	26.8
73.94598	4.1
74.95343	5.2
81.03381	4.1
85.02909	21.3
87.04475	4.0
89.94036	9.2
90.94829	14.7
91.07416	3.9
97.02902	6.8
98.20811	4.1
101.06033	5.3
102.94761	4.7
104.07117	6.2
104.46885	4.2
105.93544	4.5
107.95091	6.1
118.08669	29.3
118.94336	4.8
127.03903	6.6
128.96361	4.7
131.95070	28.2
132.95847	14.0
136.06218	4.8
141.97144	5.0
143.95006	5.7
144.95844	55.6
149.96109	10.9
155.95128	4.1
156.62764	3.7
156.95810	7.3
157.96606	10.5
159.94554	6.1
161.96104	35.6
162.96869	15.0
168.95807	5.6
169.96649	8.3
173.96170	27.4
174.96916	7.7
175.97652	6.4
181.96634	4.8
185.96132	61.2
186.96909	37.2
187.97681	13.8
197.96127	18.6
198.96909	6.1
199.97682	9.2
201.95555	6.7
203.97142	20.5
204.97887	6.5
209.96141	10.9
211.97726	10.1
215.97125	21.1
227.97209	29.7
231.96770	7.4
233.98264	35.7
239.97169	13.0
241.98615	4.5
251.99396	9.5
257.98279	5.7
261.97861	3.9
269.98206	7.4
275.99295	32.1
287.99310	18.8
294.00284	65.4
303.98581	8.0
306.00406	9.7
321.99844	100.0
324.01443	23.9
325.99478	5.9
414.07681	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	413.2686
Annotation	Robustol
Peak:m/z	Relative Intensity
55.01854	2.6
55.05503	8.0
57.03428	4.1
57.07077	6.0
59.05019	3.7
67.05512	17.9
69.03419	8.5
69.07063	5.0
71.04993	2.8
74.29182	2.6
79.05493	11.7
81.03413	6.3
81.07057	23.2
83.04968	7.4
85.06540	9.6
91.05471	17.3
93.07053	19.8
95.04970	43.8
95.08630	16.7
97.02924	2.6
97.06549	5.1
98.21523	6.0
99.04532	3.0
101.06007	2.6
105.07045	34.3
107.08593	19.7
109.06522	21.5
109.10149	8.1
111.08086	6.7
113.06004	3.7
117.07030	14.1
118.41185	2.3
119.04919	3.2
119.08575	20.8
121.05704	2.8
121.06509	11.3
121.10150	11.4
122.07307	3.0
123.08067	69.0
125.06024	6.3
127.07536	11.1
128.06198	4.6
129.07010	8.1
130.07761	6.6
131.08597	17.2
131.41200	2.4
132.83423	2.9
132.84534	2.5
133.06508	6.9
133.10139	23.1
135.08041	12.1
135.11702	7.2
137.09654	7.8
142.07764	3.8
143.08563	11.3
144.09312	4.3
145.10126	43.5
147.08041	9.4
147.11697	9.0
149.09663	11.6
149.13254	2.6
151.07555	100.0
151.11217	2.5
153.09131	3.8
155.08585	4.8
157.10136	7.0
158.07224	4.3
159.08092	4.4
159.11690	7.5
161.09627	15.6
163.11227	11.8
165.09132	3.8
165.12762	4.5
168.09329	3.9
169.10095	3.8
171.11719	5.3
172.08870	3.8
173.09630	16.9
173.13283	14.3
175.11206	4.3
177.12723	14.9
179.10715	5.1
181.12276	8.8
183.11769	3.3
184.07436	3.7
187.11200	4.4
189.12752	23.6
191.14293	7.8
192.11438	3.9
193.10214	3.1
193.12247	5.4
195.13809	3.8
197.13367	3.6
199.11298	4.0
201.12781	8.8
205.12263	45.9
207.11990	3.5
207.13806	79.4
209.15347	16.5
211.13206	14.3
213.12856	3.0
221.15443	3.6
231.13844	5.0
233.15466	2.8
251.16490	7.2
255.48914	2.5
275.20255	3.3
287.20053	7.9
303.19626	9.3
363.23090	3.9
381.24307	38.4
395.25702	4.1
413.21805	10.0
413.26874	90.4
426.34695	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	413.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01861	1.9
55.05498	6.5
57.03427	3.3
57.07069	5.9
58.76833	1.7
59.04990	5.6
67.05505	17.2
68.10673	2.1
69.03423	6.5
69.07056	4.0
69.44328	3.5
69.44730	11.7
71.04996	3.4
74.64672	1.9
76.39560	1.9
79.05502	11.6
81.03399	2.9
81.07061	15.7
81.90000	2.1
83.04974	6.3
85.06541	8.8
85.23097	1.9
86.09660	2.0
91.05483	20.4
93.07053	16.4
95.04971	40.0
95.08612	13.6
97.02901	2.0
97.06525	6.8
99.04456	2.6
105.07034	32.3
107.04930	2.8
107.08606	20.4
108.05795	2.0
109.06523	25.5
109.10158	7.0
111.08073	7.0
113.05981	4.9
117.07011	11.8
119.08575	23.9
119.71251	1.7
121.06532	9.5
121.10143	11.5
122.07246	2.2
123.08076	74.5
125.05957	6.8
125.09643	2.5
127.07554	12.7
128.06180	3.4
129.07011	6.1
130.07776	7.7
131.08568	14.0
133.06505	3.9
133.10141	17.9
135.08037	8.4
135.11676	7.0
137.09644	6.3
142.07751	3.2
143.08534	11.4
144.01622	2.1
145.06508	2.8
145.10138	45.0
147.08070	9.7
147.11670	6.6
149.09674	9.6
151.07549	100.0
153.09138	9.5
155.08533	3.9
156.09326	3.4
157.10155	6.5
158.07304	3.9
159.08038	5.2
159.11682	5.9
160.08821	2.6
161.09642	16.1
163.11205	7.9
165.09094	3.5
168.69803	1.9
169.10123	2.2
171.11685	6.6
172.08859	5.1
173.09656	13.6
173.13277	14.8
175.07462	2.5
175.11215	5.2
177.12788	12.5
179.10651	4.1
181.12236	10.1
183.11742	3.9
185.13397	2.8
187.11211	4.0
189.12781	24.5
191.10620	2.0
191.14238	13.8
192.11462	8.0
193.10153	2.6
193.12230	5.5
195.11679	3.4
195.13773	2.2
199.11115	2.2
201.12791	7.6
205.12238	53.0
207.13809	98.8
209.13425	3.7
209.15356	21.0
211.11469	3.4
211.13234	12.7
229.12094	2.9
231.13867	9.4
233.15340	4.4
251.16406	4.5
277.18021	2.5
286.19247	3.6
287.20029	5.1
287.22961	2.2
303.19504	5.3
325.17810	2.1
381.24216	44.7
395.25739	2.7
413.21765	8.5
413.26834	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2688
Annotation	Robustol
Peak:m/z	Relative Intensity
53.03934	2.0
55.05516	7.9
57.03428	5.2
57.07070	3.2
59.04989	5.5
65.03928	2.9
67.05511	17.1
69.03442	7.8
69.07070	4.5
69.33160	4.9
69.33585	9.4
71.05013	3.4
78.76323	1.5
79.05497	14.4
81.03415	8.0
81.07064	19.7
83.04967	5.3
83.08624	3.0
85.02893	2.5
85.06531	8.2
91.05489	18.0
93.07059	17.6
95.04978	36.1
95.08619	9.8
97.02894	3.0
97.06515	2.9
98.21548	3.4
98.50883	1.7
99.04465	3.0
101.06030	1.7
103.05476	2.6
105.07040	31.6
107.08606	20.2
109.06535	18.1
109.10165	7.1
109.10896	1.5
110.07264	2.2
111.08070	7.3
113.05988	2.7
115.05356	2.2
117.07016	12.0
119.07921	1.8
119.08614	17.7
119.18664	1.5
121.06530	9.1
121.10162	8.4
122.07283	3.8
123.08080	72.1
123.11691	2.1
125.06023	3.7
125.09616	2.1
127.03890	2.1
127.07540	10.7
128.06206	3.2
129.07002	5.6
130.07758	6.9
131.08565	15.6
133.06458	5.1
133.10127	14.9
135.08066	10.5
135.11694	9.3
136.08733	1.6
137.09599	6.0
139.42787	1.6
140.10686	3.0
142.07777	2.5
143.08563	10.9
145.10139	39.8
147.08017	7.3
147.11797	8.1
149.09615	10.4
149.13210	4.4
151.07555	100.0
153.09105	7.6
155.08568	3.5
156.09332	2.7
157.10144	5.0
159.08009	3.3
159.11728	6.4
159.81055	1.9
161.09669	10.6
163.11194	5.8
165.09123	1.9
168.09401	2.3
169.10136	3.9
171.11694	5.7
172.08852	3.0
173.09566	11.8
173.13284	12.2
174.10390	3.1
175.11166	4.0
177.12747	16.8
179.10620	4.0
181.12218	7.4
183.11720	3.3
186.10368	1.7
187.11137	4.6
189.12735	23.1
191.10603	1.7
191.14354	10.6
192.11440	5.6
193.12289	4.5
195.11708	1.8
199.11186	3.7
201.12738	7.5
205.12267	46.8
207.13821	97.2
209.15376	18.3
211.11501	2.0
211.13243	9.5
213.12805	2.3
221.15268	1.7
231.13876	8.3
233.15440	3.4
251.16365	4.3
287.20078	3.8
303.19724	3.7
307.17191	2.0
363.23184	3.1
381.24341	32.7
395.25894	6.2
413.21719	13.7
413.26868	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05495	10.0
57.03421	3.8
57.07077	6.5
59.04996	5.1
65.02708	2.0
65.03920	2.5
67.05508	25.2
69.03435	13.1
69.07063	7.6
71.04988	4.0
71.53303	2.9
72.08163	4.6
79.05496	19.7
81.03403	14.0
81.06670	2.4
81.07070	28.6
81.33027	2.3
83.04966	10.0
83.08613	4.8
85.02917	4.0
85.06569	12.9
86.09693	3.9
91.05482	23.7
93.07043	27.6
95.04483	2.4
95.04983	38.2
95.08614	13.5
97.02872	6.3
97.06510	5.3
99.04478	3.6
101.06003	2.8
105.07034	35.8
107.04929	3.5
107.08595	29.9
108.05718	3.0
109.06522	21.9
109.10148	7.9
111.08089	3.6
111.66759	3.1
113.06002	6.9
115.05444	4.0
117.07032	12.7
119.08586	27.3
121.06496	8.8
121.10132	12.7
122.07256	4.7
123.07210	4.0
123.08076	70.0
125.05948	5.3
125.09594	2.8
127.07602	13.8
128.06207	4.2
128.37563	2.7
129.06999	6.0
130.07777	7.3
131.08582	25.7
133.06465	8.2
133.10133	21.2
135.08067	15.7
135.11703	11.5
137.05920	2.5
137.09587	8.5
142.07784	5.3
143.08604	14.4
144.09154	2.6
145.10132	42.7
147.08064	12.1
147.11696	8.6
149.09618	9.2
149.13284	3.7
151.07545	100.0
153.09120	7.0
155.08528	5.7
156.09395	3.1
157.10107	10.7
159.08029	5.3
159.11678	8.2
160.08803	2.9
161.09630	18.2
161.13246	3.3
163.11151	12.1
165.09090	6.4
167.08548	3.3
169.10022	3.6
171.11659	7.8
172.08820	4.7
173.09628	19.2
173.13237	15.0
175.11215	4.9
177.09103	3.2
177.12790	17.7
179.08554	3.1
179.10623	5.1
181.12206	8.3
183.11659	6.7
184.07306	3.4
187.11241	5.9
189.12764	23.3
191.14301	7.4
192.11449	5.7
193.12215	8.9
194.17168	2.2
201.12753	8.7
203.14420	2.8
205.12236	56.6
207.12042	2.9
207.13808	81.8
209.15378	18.4
211.11378	4.3
211.13281	14.4
221.15338	5.5
221.31490	2.2
225.12694	5.5
229.12195	4.0
231.13638	3.9
233.15337	3.3
241.12259	3.3
251.16440	8.5
286.19147	3.3
287.19946	12.3
303.19571	8.9
325.18054	3.1
361.11453	2.5
363.23044	4.4
381.24249	47.0
395.25687	6.2
411.47678	2.8
413.21637	20.7
413.26794	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.2
55.01881	6.9
55.05518	12.8
56.96556	2.9
57.03440	18.5
59.04993	9.5
61.02937	2.4
67.05512	34.4
69.03440	33.8
69.07079	14.1
70.06590	5.9
71.04992	7.7
71.52046	1.8
71.52486	2.5
72.08167	2.8
73.02924	4.2
79.05506	22.3
81.03424	40.9
81.07069	58.7
83.04987	18.5
83.08627	9.3
84.08141	4.0
85.02917	17.9
85.06594	2.1
86.09718	5.2
87.04503	4.5
91.05492	22.1
93.07055	29.2
95.04980	5.9
95.08624	19.9
97.02900	22.3
97.06541	8.9
98.97535	2.5
99.04466	8.1
101.02383	2.1
103.03988	4.6
105.05478	2.9
105.07059	13.2
107.04984	4.2
107.08606	20.3
109.02892	8.9
109.06544	5.8
109.10204	4.9
110.07145	2.0
111.04475	6.7
111.08090	6.3
111.11763	3.3
117.07060	12.0
119.08611	6.1
121.06507	4.8
121.10153	7.4
123.04482	2.1
123.08096	3.8
123.11713	2.5
127.03931	17.4
128.06218	1.8
129.05486	9.7
129.06987	2.0
129.12784	7.2
130.13148	4.6
131.08592	10.6
133.10155	14.2
135.11707	7.5
137.06047	5.0
137.09653	2.4
145.04979	3.1
147.04431	9.4
147.11681	4.5
149.09627	3.2
149.13266	12.1
159.11717	16.0
161.06000	2.2
165.12779	5.6
177.12753	12.6
184.07399	3.1
191.14439	2.4
192.19424	2.3
195.13846	16.0
201.07619	2.3
213.14862	6.4
222.04305	3.5
249.14789	3.4
269.17529	14.1
275.16422	3.0
297.17007	2.4
303.15778	2.9
312.21915	2.9
339.18079	8.0
376.11810	2.9
377.19888	3.2
395.20609	5.7
412.95230	7.4
413.21741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01870	0.4
55.05509	0.3
55.58164	0.2
56.05024	0.7
57.03442	0.3
67.05518	0.3
69.03426	0.5
69.85036	1.2
70.06586	1.0
72.08152	0.5
73.02926	0.2
74.06088	2.0
84.04503	0.4
84.08165	0.4
85.02905	0.7
86.09710	0.3
86.38701	0.2
91.05444	0.2
101.09651	0.5
102.05553	1.2
115.08889	0.2
119.03545	2.2
120.06581	8.3
127.03932	0.3
128.72809	0.2
132.93510	0.3
133.92357	0.2
136.06184	100.0
137.04541	1.2
146.16498	0.2
147.04424	0.6
162.04112	62.6
163.04346	0.3
263.08612	0.2
268.10452	0.7
281.09930	55.8
282.10208	0.8
294.08295	0.3
412.51511	0.3
413.14197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46109	20.4
65.00366	18.8
71.50282	26.8
86.09690	80.8
97.93302	21.3
99.05574	35.7
101.00929	22.6
106.74759	17.7
110.97707	19.8
121.06486	48.7
127.58278	21.0
131.01927	23.7
132.10219	57.1
143.01880	56.5
145.03459	21.1
145.06073	35.7
155.01825	25.5
161.02998	45.2
173.02997	23.2
187.01833	48.1
260.65381	20.1
275.02441	48.3
293.03500	45.6
305.03668	38.7
359.19897	24.9
377.05560	23.9
413.04514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81280	1.4
53.03944	5.2
53.91788	1.4
55.05512	4.3
57.03434	2.4
63.69682	1.3
68.08772	1.4
69.03440	9.4
69.07070	2.9
69.65836	9.3
70.06602	12.9
71.05002	3.2
72.08154	6.6
73.58370	1.4
74.06068	1.6
78.36349	1.3
79.05476	1.9
81.03430	14.1
81.07070	1.4
81.85986	1.3
84.04508	1.9
84.08135	3.0
85.02444	2.0
85.02917	24.3
86.03255	2.2
86.06077	2.5
86.09727	9.1
91.05499	2.6
93.07047	3.2
95.08618	2.7
97.02908	7.2
98.06072	2.4
98.20763	2.7
99.04455	13.9
103.03956	14.6
105.07043	11.9
106.07375	5.5
107.08604	2.1
109.02895	38.8
110.03242	2.9
110.07210	2.5
113.06027	25.3
117.04679	3.3
117.05504	63.1
119.08578	2.2
119.86415	1.3
120.08126	9.3
122.02761	2.0
127.03939	43.7
128.04242	6.9
129.10254	2.5
141.05486	100.0
142.08626	2.0
145.04955	6.8
156.07701	2.2
159.06560	37.8
159.07883	2.2
162.73135	1.4
163.06052	3.1
163.11200	2.3
177.07620	29.9
182.15433	2.7
184.07375	2.0
184.13345	1.7
187.05988	7.3
205.07187	3.0
205.12250	2.5
208.13420	3.7
208.29619	1.5
212.16481	9.4
219.14973	3.6
226.14413	1.9
231.60782	2.3
239.11896	1.7
244.15509	14.6
261.13477	2.3
283.12680	1.9
285.09705	3.3
303.10767	3.6
321.11786	4.7
377.18320	3.3
404.31406	1.4
412.21463	2.7
412.26981	9.9
413.21423	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.05518	8.3
56.05035	6.2
60.04519	6.7
64.14991	5.3
69.03416	6.4
70.06593	100.0
71.06895	7.8
71.51670	10.0
72.08149	27.6
78.40495	6.0
84.04478	11.7
84.08138	48.8
85.02890	22.8
86.09704	32.5
88.03967	7.2
91.05475	8.2
93.07057	6.3
102.05507	5.1
103.03906	10.0
103.05412	6.8
105.06971	7.9
109.02860	7.2
110.02316	5.9
110.07147	9.1
115.06863	5.8
120.08080	19.1
121.30860	6.1
127.03909	16.3
129.10243	30.4
145.05035	6.5
147.04396	6.5
163.03893	7.3
163.05986	11.8
228.06583	6.6
237.71706	6.8
412.19556	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.05515	1.2
57.03423	1.4
57.54834	0.8
61.02917	1.5
62.40649	0.8
69.03431	9.9
69.07060	1.1
69.40547	6.1
69.40965	2.0
70.06575	4.1
71.04986	3.8
72.08189	1.2
73.02905	1.6
78.70457	0.9
81.03414	12.5
81.07072	1.2
81.14481	0.9
84.04489	1.3
84.08138	4.2
85.02905	71.5
86.09689	4.0
91.05471	1.9
92.66477	1.2
97.02886	17.0
99.04459	35.4
100.11209	1.5
103.03945	100.0
105.07021	1.6
109.02876	12.5
110.07171	1.5
111.04443	1.1
120.08070	1.4
123.08076	0.9
127.03922	96.3
129.10251	1.2
136.07509	1.1
145.04964	61.8
150.35033	0.9
163.06013	59.6
169.04871	1.2
169.43639	1.0
182.15494	1.5
187.06039	5.7
205.07054	4.4
210.14894	1.3
212.16530	1.5
244.15326	1.3
254.00128	1.1
268.30975	1.0
269.51764	1.1
271.08118	6.8
289.09155	5.5
307.10248	10.7
412.20050	2.2
412.26923	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01875	6.9
55.05508	1.6
56.05029	1.2
57.03438	15.6
59.04998	1.3
61.02929	14.2
65.47634	0.7
69.03432	34.6
69.53121	0.6
69.92638	0.6
70.06593	5.5
70.76453	0.7
71.01349	3.8
71.04992	2.4
71.52239	1.1
72.08145	2.1
73.02920	65.7
74.06063	1.2
81.03422	7.3
81.07086	0.9
83.05020	0.8
83.08638	2.4
84.04491	1.1
84.08148	3.9
84.68839	0.7
85.02908	100.0
86.09695	2.4
87.04469	5.0
89.03912	0.8
91.03963	5.0
93.07074	0.8
95.08623	1.0
96.04472	0.8
97.02895	56.9
99.04449	5.1
103.03950	3.8
107.04913	1.2
109.02884	9.5
115.03935	27.7
120.08086	1.4
127.02973	1.6
127.03921	32.0
129.10229	1.5
132.06525	0.8
133.04970	33.4
136.96779	0.7
141.05516	0.7
145.04965	54.1
150.07597	1.3
155.11870	1.3
157.04932	1.2
160.05067	0.9
163.03947	2.8
163.06015	24.2
166.08675	0.9
187.06020	0.9
193.05003	1.6
197.11815	1.6
199.06104	1.4
215.12749	1.3
217.07158	1.0
219.11667	1.8
223.06023	5.8
233.13847	2.2
241.07045	7.2
247.11121	1.0
251.06969	0.7
259.08130	12.4
263.14920	8.3
277.09238	3.2
295.10287	7.4
305.27911	0.7
354.42108	0.6
374.64044	0.7
412.16071	0.8
412.20346	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
57.03439	2.0
60.10263	0.8
61.02928	1.3
69.03438	10.1
69.65971	5.2
70.06569	1.3
71.04997	4.2
73.02926	3.3
74.02083	0.9
80.64923	0.9
81.03418	12.1
85.02909	76.2
86.09728	1.2
91.03992	1.0
97.02306	1.4
97.02895	19.5
98.20730	0.9
99.04459	41.4
102.15385	1.0
103.03947	98.6
104.80322	1.0
109.02884	15.6
115.03857	1.0
117.05517	1.1
127.03923	100.0
128.04237	1.4
132.29391	0.9
141.05508	0.9
145.04967	71.6
152.12097	0.9
159.06612	1.3
163.06027	63.5
187.05994	6.8
205.07121	5.3
229.22260	1.0
253.07149	1.6
271.08102	8.9
289.09155	8.2
307.10242	12.7
377.18069	3.7
412.20432	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36770	1.1
53.03942	2.4
57.03423	1.9
61.02905	1.5
69.03430	9.7
70.06597	6.6
70.83285	1.0
71.04999	3.0
72.08142	2.8
73.02908	1.7
81.03416	11.1
84.04462	1.5
84.08137	6.3
85.02910	72.5
86.09738	7.0
91.03986	1.3
95.91586	1.4
97.02895	16.9
99.04461	36.6
103.03949	100.0
109.02891	13.8
110.07166	3.7
116.07217	1.5
120.08115	3.1
127.03924	90.2
129.10251	4.0
130.06548	1.5
132.08102	1.7
139.27650	1.3
141.96954	1.1
145.04967	61.1
161.06018	1.7
162.06778	2.2
163.06027	73.2
174.41794	1.2
184.07433	1.6
187.05981	3.0
205.07025	4.5
211.49713	1.2
225.06645	1.4
227.18517	1.3
246.14886	1.3
271.08154	8.2
289.09125	12.1
303.05087	3.4
307.10272	40.0
390.96573	1.4
412.20389	2.2
433.92490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
56.05022	3.4
61.02922	3.7
69.03424	13.3
70.06590	8.8
70.46905	6.9
70.47273	6.6
71.05002	6.0
72.08140	5.2
73.02903	5.6
73.85587	2.8
74.02462	3.3
81.03417	13.4
81.03930	2.7
84.04501	6.0
84.08139	7.4
85.02435	5.4
85.02914	64.1
86.09673	3.3
88.03999	4.8
89.06007	4.2
97.02895	34.0
99.04472	39.9
103.03956	79.1
109.02893	18.6
118.03227	4.3
119.04886	3.7
120.08105	7.1
127.03926	100.0
136.06264	3.7
145.04968	62.1
147.04422	8.0
147.05861	5.2
163.03857	4.0
163.06039	60.9
166.05351	3.9
169.05026	3.1
169.37323	2.7
187.06026	5.6
235.54082	2.9
271.08203	9.7
282.09509	6.2
289.09244	12.4
307.10138	16.5
352.71429	2.8
411.04434	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	412.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01871	1.2
55.61923	0.7
57.03436	1.7
61.02925	2.3
64.83714	0.6
69.03433	9.9
69.66486	3.8
70.06600	1.0
71.04999	3.2
71.42602	0.6
72.08144	1.2
73.02920	2.2
81.03426	11.1
85.02912	67.0
86.09711	1.0
87.04471	0.9
91.03989	1.0
91.05491	0.8
97.02900	20.1
98.21508	0.9
99.04458	34.4
100.96046	0.8
103.03948	94.5
109.02889	15.5
120.08094	3.4
127.03926	100.0
145.04968	59.1
145.06207	1.1
163.06026	51.3
187.06047	4.7
197.11708	0.7
204.95949	0.8
205.07082	3.3
206.65028	0.7
219.14929	0.8
234.94263	0.6
247.14342	1.0
253.07059	1.1
271.08154	7.6
289.09174	5.3
307.10263	10.1
356.26373	0.6
377.18201	2.6
412.20496	1.3
413.21774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
57.03453	2.2
61.02922	2.5
62.30194	1.1
67.05521	1.9
69.03432	9.3
69.07079	9.8
70.06596	7.7
71.04993	4.3
72.08148	3.4
73.02917	2.2
81.02978	1.8
81.03419	13.4
84.04506	2.3
84.08168	6.7
85.02909	62.4
86.09701	3.7
87.04500	1.5
87.08108	5.1
97.02896	19.6
98.20686	2.7
99.04463	38.3
103.03947	88.1
105.09168	2.0
109.02891	13.2
109.10155	2.1
113.80023	1.2
120.08091	2.7
123.21107	1.4
127.03927	100.0
127.11195	2.1
129.10262	2.6
136.07669	1.6
145.04967	57.9
147.04413	1.8
163.03983	1.7
163.06024	42.2
169.04993	1.5
187.06021	4.7
201.07762	1.5
205.07085	2.7
228.98811	1.4
271.08121	5.2
289.09308	3.0
295.06009	2.5
307.10239	5.7
431.76770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
57.03422	2.2
66.20078	1.0
69.03423	10.8
69.07071	9.7
70.06586	1.6
71.02769	2.9
71.04971	3.2
73.02892	2.7
77.29571	1.1
81.03410	14.2
84.08129	1.5
84.53136	0.9
85.02903	70.6
86.09661	1.2
87.08099	6.0
91.00018	1.1
97.02898	18.5
97.29918	1.1
99.04451	37.8
103.03942	92.8
105.09132	1.4
109.02878	13.8
127.03915	100.0
145.04951	60.7
148.57249	1.0
163.06009	44.0
169.04919	1.4
187.06047	6.6
205.07050	5.6
230.09753	1.0
253.06918	1.6
271.08133	4.8
289.09177	3.9
307.10312	7.4
416.50967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
53.89785	0.9
55.05497	1.6
57.03430	2.5
61.02926	1.1
67.05499	1.2
69.03092	1.2
69.03434	15.0
69.24112	4.9
69.24536	4.0
70.06584	2.0
71.05004	6.0
79.05479	3.5
81.03419	26.0
81.07035	1.3
84.08120	1.2
85.02908	47.2
86.09701	2.4
91.05472	1.6
95.04967	1.9
97.02876	2.9
99.04458	27.5
103.03949	46.1
103.05423	3.0
104.38796	0.9
105.07037	41.4
109.02890	26.7
111.04433	1.4
111.16798	1.0
117.05478	2.1
119.08557	1.2
121.10146	1.4
121.36259	0.9
127.03922	100.0
131.08575	1.6
133.06500	2.1
135.08044	1.3
141.05388	1.9
143.08493	1.1
145.04973	11.3
147.08049	2.1
153.81842	1.0
154.45844	1.0
177.07619	0.9
181.04936	1.0
187.06070	6.7
208.97305	1.1
212.59871	0.9
225.57115	0.9
239.71112	1.0
249.10837	1.0
253.07037	3.8
261.82248	1.0
265.90717	1.2
268.55396	1.0
271.08069	1.7
283.16498	1.0
283.75165	1.2
411.15442	1.0
411.20117	9.6
426.17377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11709	1.2
52.12463	1.1
52.58877	1.1
53.03929	1.0
55.05513	2.6
57.71458	1.1
67.05497	4.7
69.03415	1.2
69.07061	2.4
70.57681	1.1
77.03912	1.3
79.05491	4.8
81.03434	2.3
81.07061	7.7
91.05477	6.0
93.04419	1.0
93.07045	3.5
95.04992	1.7
95.08603	1.6
97.10179	1.3
103.05447	1.7
105.07002	3.1
107.04969	3.0
107.08617	2.7
109.06499	3.7
109.10121	1.5
117.06994	1.4
119.04922	2.1
119.08584	2.9
121.06506	16.4
121.10181	1.4
123.08070	1.5
125.05973	1.3
129.07024	2.3
131.04884	2.5
133.02859	1.4
135.04378	1.6
135.08038	1.5
136.05183	3.1
137.06033	1.2
139.07538	3.1
141.06981	1.9
144.50887	1.3
145.10159	1.7
147.04419	11.7
147.08066	2.5
148.05240	5.2
149.02339	2.6
149.05983	7.3
151.07552	20.6
153.05489	1.3
155.08507	2.8
157.06453	1.4
157.10100	1.5
159.08037	2.0
161.02347	4.7
161.05978	4.7
163.03937	1.6
163.07570	4.5
164.04684	6.7
167.03397	1.2
167.07059	10.8
167.08522	1.6
171.04378	1.4
173.06015	2.0
173.09540	1.2
175.03983	2.4
175.07568	1.7
176.04791	2.5
177.05472	19.2
179.07045	16.3
181.04996	1.4
181.08627	1.2
185.05992	2.6
185.09497	1.3
187.03973	3.3
187.07507	1.7
189.09088	4.8
191.07037	64.6
192.07820	100.0
193.08159	1.4
199.07504	2.4
201.09081	7.2
203.07037	43.7
207.06528	13.2
209.08049	7.8
209.60307	1.2
211.07562	1.9
213.09042	5.9
227.06888	2.8
229.08630	14.0
243.10208	6.6
257.08041	2.1
261.09055	2.0
263.07263	1.2
264.07990	1.2
271.86646	1.2
279.10077	1.6
281.11679	1.4
293.08151	2.4
295.13458	1.6
303.06747	1.7
305.11942	1.3
307.09686	1.1
318.08594	1.2
321.11194	4.6
323.12692	5.6
333.11157	2.3
339.15985	6.4
347.09125	1.4
349.10663	6.4
351.12436	1.9
367.15353	20.6
381.13202	5.0
393.13190	3.0
411.14398	26.6
411.26782	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.5
57.07078	5.1
58.06588	1.4
65.03938	1.7
67.05503	0.8
70.06598	15.8
71.08616	4.3
71.52654	0.8
81.06513	0.4
81.07035	1.2
84.08151	1.2
88.07632	19.0
91.05491	0.6
93.07037	1.0
95.04943	0.6
95.08617	0.6
102.09184	14.7
108.69911	0.5
109.06547	0.6
111.04498	0.6
112.42814	0.5
119.08693	0.6
121.02838	1.1
137.09692	0.5
137.71391	0.5
139.03909	1.3
149.02348	49.3
149.03415	2.8
149.09633	0.6
156.17401	0.6
159.06641	0.5
193.04967	53.4
200.20102	52.9
201.20370	0.8
209.28137	0.5
237.07576	63.6
238.07768	0.8
331.31403	0.5
410.25385	100.0
411.25757	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20675	18.9
58.85651	20.7
62.00667	20.6
69.58961	47.7
69.59380	82.6
84.08119	20.9
86.09719	29.4
98.20766	33.4
145.06024	25.3
179.87271	18.9
180.89421	28.7
186.91783	29.5
193.10867	26.3
196.86684	100.0
239.11287	38.0
274.95175	20.5
290.92877	22.3
298.58182	21.9
411.03403	96.0
411.09073	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78543	1.3
53.03934	2.1
57.03436	1.9
57.81170	1.1
61.02927	3.0
63.60978	1.2
69.03146	1.2
69.03438	12.9
69.07090	8.5
70.06583	2.0
70.69348	3.1
71.04981	4.5
73.02887	1.9
79.05478	1.9
81.03423	13.5
81.07051	2.1
85.02907	68.2
85.49621	1.2
86.09684	1.4
91.03978	1.4
97.02311	1.7
97.02899	25.8
99.04460	36.7
103.03946	93.7
109.02895	17.3
109.06551	1.3
127.03922	100.0
145.04965	67.5
153.09137	1.4
163.06024	68.0
172.37590	1.4
177.09085	4.8
187.06068	5.1
195.10164	4.0
205.07071	3.8
213.11180	2.3
232.03313	1.2
255.12299	3.1
271.08203	10.6
289.09177	9.1
307.10248	25.1
350.39020	1.4
357.15259	1.8
414.10400	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
56.96597	1.2
57.03419	1.3
59.21029	0.9
61.02919	1.9
66.10126	0.8
69.03435	9.4
69.07058	4.0
70.06594	2.3
70.08939	4.5
71.04996	4.2
72.08122	1.3
73.02899	1.8
81.03421	10.6
81.07050	1.0
84.08122	1.3
85.02908	68.3
86.09704	1.8
91.05505	1.4
94.22177	1.1
97.02898	20.8
97.06525	1.5
99.04459	36.4
103.03945	93.8
109.02888	13.8
120.08126	1.7
127.03922	100.0
129.49374	1.0
145.04961	67.4
158.15356	1.1
163.06020	62.0
184.90779	1.0
187.06041	6.5
195.10205	1.2
195.13817	1.3
205.07068	5.0
213.11211	1.6
213.14873	3.7
253.07080	1.9
267.16757	1.1
271.08051	8.5
289.09210	6.0
307.10272	10.4
375.16541	2.3
391.20587	1.1
410.18396	2.5
411.19968	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	410.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14173	0.6
54.03476	0.7
55.01866	2.0
56.05045	1.1
58.02950	0.6
69.07059	3.6
70.02973	3.4
71.11289	1.4
73.07685	1.2
73.74682	0.6
74.00672	3.7
75.07731	0.7
76.04012	5.4
84.04510	25.3
85.04031	2.0
86.02425	0.9
88.03993	3.2
91.43928	0.7
92.01737	3.5
95.51357	0.8
99.05584	70.1
107.06086	4.3
108.04476	2.0
112.03950	2.0
113.03579	0.8
125.07171	0.7
127.05051	11.4
130.05016	22.7
131.04561	1.1
135.04694	0.8
135.05586	1.2
136.03969	3.6
136.14276	0.7
144.12706	0.6
145.06093	100.0
153.06602	15.9
154.05040	0.9
160.00687	0.9
161.06369	1.5
177.03296	6.0
178.01706	1.2
178.08952	4.5
179.02901	0.7
181.06081	8.0
195.04378	3.0
199.07152	15.5
199.08893	1.1
206.08563	1.5
211.07210	1.8
217.08278	1.0
219.48727	0.7
226.92021	0.7
231.04327	1.2
239.06731	1.3
256.09351	8.1
263.10675	1.5
274.10352	16.2
274.13113	1.0
281.11670	14.6
288.06497	0.8
306.07635	1.6
392.14963	0.9
410.15866	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05510	15.9
57.07061	9.5
64.35741	2.4
67.05508	27.6
69.07069	47.3
70.69749	2.5
70.70086	5.1
79.05488	14.6
81.07061	93.5
83.08617	20.3
91.05476	4.4
92.51884	2.2
93.07051	23.5
95.08614	75.7
97.10166	6.7
105.07035	19.3
107.08600	38.0
109.10166	69.6
111.11681	6.0
119.08578	24.4
121.10152	31.1
123.11716	36.4
131.08560	7.7
131.25665	2.3
133.10158	15.1
135.11697	19.7
137.13272	22.0
141.16510	2.6
145.10085	12.3
146.64839	2.4
147.11714	19.4
149.13275	19.3
151.14867	3.8
157.10130	4.0
159.11699	19.7
161.13242	15.7
163.02994	2.4
163.14838	15.6
165.16457	2.5
171.11662	3.2
173.13301	9.1
175.14778	11.2
176.16820	2.1
177.16396	10.0
185.13266	3.2
187.14903	8.6
189.16396	12.3
191.17943	9.4
199.14874	4.1
201.16403	9.1
203.17950	12.2
205.19495	4.8
215.18016	12.3
217.19574	8.4
229.19603	5.5
231.21165	3.9
243.21129	5.3
255.21335	3.3
257.22729	6.6
259.24283	7.0
271.24197	11.8
285.25815	10.3
297.25879	3.1
299.27246	4.7
327.26898	2.3
327.30563	8.5
339.30396	3.0
347.01569	2.5
353.32117	4.7
367.33646	2.3
409.38312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.1
57.07080	100.0
59.04996	3.2
67.05494	7.7
69.07072	14.0
71.08635	88.2
73.06564	2.5
73.07819	2.7
79.05499	7.7
81.07055	13.1
83.08612	8.1
83.87563	2.3
85.06522	4.4
85.10188	56.2
89.06017	6.1
91.05464	8.7
93.07058	13.7
95.04968	2.7
95.08598	11.6
97.10182	6.7
99.11734	8.2
105.07040	16.1
105.52494	2.4
107.08608	16.2
109.06490	3.2
109.10168	9.5
111.08089	6.3
111.11678	2.7
111.46856	2.4
113.13325	2.9
117.06979	5.0
119.08566	16.0
120.08897	4.8
121.06474	4.9
121.10168	11.2
123.08071	4.4
123.11690	4.6
125.09598	3.7
131.08562	8.8
132.08907	2.7
133.10146	5.7
135.08095	7.2
135.11731	4.5
137.06018	6.8
137.09656	4.3
139.07585	2.6
145.10139	8.2
146.10481	3.2
147.08084	2.7
147.11703	4.5
149.06001	5.5
149.09630	7.4
151.07539	41.7
153.09160	2.7
157.10135	7.0
158.10417	2.8
159.11711	5.5
163.07535	23.6
165.09132	45.1
172.11533	2.8
173.09668	4.1
173.13292	4.0
175.11185	6.0
177.09138	33.2
179.10689	17.0
181.08585	6.8
187.11171	7.3
191.10661	12.6
193.12312	6.7
195.10112	7.3
196.12303	3.1
201.12753	5.2
201.16406	3.2
205.12239	11.7
207.13808	2.8
215.14322	4.1
219.13831	7.4
233.15402	8.4
237.14917	3.7
237.93390	2.3
247.16946	6.2
251.16437	5.5
261.18518	4.8
279.19769	3.2
293.21085	3.7
307.22696	3.2
309.69299	2.9
329.24301	10.1
369.44754	2.7
373.31039	4.9
378.46573	2.6
409.30365	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.2
55.01870	3.8
55.05512	16.1
57.07068	11.0
58.25477	2.6
59.04979	5.4
59.08517	3.0
65.03935	3.5
67.05511	28.7
69.03435	7.3
69.07066	12.8
69.35394	2.9
69.40347	21.3
69.47997	2.8
71.04970	4.3
71.08639	3.7
79.05502	23.7
81.07062	44.9
83.04984	5.1
83.08630	4.3
85.06542	4.3
91.05487	37.3
93.07050	45.2
95.04964	52.6
95.08615	31.8
97.06519	5.3
98.21474	5.6
103.05478	3.2
105.07033	100.0
107.07953	5.0
107.08604	32.2
109.06531	13.6
109.10181	16.7
111.08073	3.8
116.18813	3.1
117.07041	10.7
119.07818	2.5
119.08582	71.7
119.09374	6.3
121.06500	20.1
121.10155	22.0
123.08096	16.9
123.11759	5.4
125.09651	3.4
128.06198	3.4
129.07016	10.3
129.33878	2.8
130.07838	4.9
130.98628	2.7
131.08566	24.6
133.06497	5.4
133.10133	19.9
135.08060	18.1
135.11700	9.4
137.09630	11.6
141.06998	7.8
142.07797	11.8
143.08583	17.2
144.09271	4.4
145.10106	38.4
147.08076	18.0
147.11708	50.0
149.09637	11.2
149.13304	3.7
151.07553	26.4
155.08643	7.1
156.09326	6.3
157.10123	21.7
158.10834	3.0
159.08057	7.5
159.11673	16.6
161.09616	9.1
161.13297	6.9
163.11261	6.2
163.14841	3.4
165.01851	3.7
165.09094	23.7
169.10165	9.1
171.11693	11.7
173.09726	4.5
173.13252	10.2
175.11194	37.4
177.09152	9.1
179.08525	4.6
179.10678	3.4
181.10184	6.5
181.12157	3.2
183.11688	11.2
185.13235	7.7
187.11267	5.7
187.14853	3.6
189.16428	3.4
193.10165	4.0
195.11626	6.0
197.13243	3.1
199.11156	4.9
201.12805	8.2
201.16383	5.5
203.14412	11.6
207.13687	4.6
209.13271	4.2
209.15375	3.6
211.14804	6.0
215.14264	4.7
219.13809	4.5
221.13338	5.5
221.15329	62.4
229.15886	4.1
233.15425	3.6
234.16144	17.3
239.14546	3.3
253.15941	3.6
286.19339	4.8
287.19992	6.7
300.20755	5.2
329.21106	5.2
385.63846	3.1
391.26251	9.6
409.27197	61.0
409.34506	4.5
409.39108	4.6
424.68250	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	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.02362	1.8
53.03945	3.5
55.01878	1.8
55.05275	1.5
55.05515	18.0
57.07072	9.7
59.04996	2.0
65.03942	3.6
65.05062	2.0
67.05510	22.2
68.50890	1.6
69.03416	6.7
69.07084	9.1
69.16842	7.8
69.17264	10.2
79.05497	24.0
81.03399	2.9
81.06596	2.1
81.07057	37.4
83.04977	6.1
83.08630	3.0
84.34728	1.4
85.06551	3.4
89.06015	3.2
91.05477	36.9
91.91461	1.8
93.07044	49.3
95.04974	54.4
95.08612	31.3
97.06548	7.9
100.88512	1.6
102.89925	1.7
103.05448	3.7
105.04520	2.8
105.07034	100.0
107.04987	2.3
107.08605	24.7
109.06511	13.8
109.10158	10.7
111.04465	1.7
111.08087	5.2
115.05428	3.3
117.07033	15.5
119.04974	1.7
119.08588	65.0
121.06508	16.2
121.10139	17.0
123.08075	13.0
123.11710	1.8
125.09628	2.5
128.06229	4.5
129.07021	10.2
130.07780	3.9
131.08577	25.5
133.06468	4.8
133.10135	22.5
135.08055	14.2
135.11693	5.4
137.05943	1.6
137.09636	10.0
141.06961	4.4
142.07799	11.0
143.08586	17.2
144.09308	3.9
145.06421	2.3
145.09056	3.1
145.10130	38.8
146.07352	1.8
147.08066	17.1
147.11685	44.2
147.12807	3.3
149.09607	12.6
149.13202	2.5
150.10452	1.7
151.07558	16.3
151.11156	1.5
153.09149	2.6
154.07808	1.9
155.08618	8.4
156.09384	4.8
157.10130	25.2
158.07269	1.7
158.10797	2.1
159.08070	6.0
159.11717	14.0
161.09583	7.6
161.13295	4.8
163.11214	5.5
165.09117	27.3
167.08508	3.9
168.09338	3.3
169.10153	10.1
170.10851	2.1
171.11707	9.9
173.09630	6.0
173.13240	8.7
175.11189	39.6
175.12726	1.9
177.09157	2.5
177.12701	2.6
178.09912	2.1
179.08632	2.4
179.10484	2.3
181.10109	5.3
181.12288	1.7
182.10971	2.8
183.11676	12.8
185.09511	1.7
185.13237	5.4
187.11198	5.8
187.14857	3.0
189.12756	6.4
191.10738	3.0
191.14343	1.9
193.10193	1.8
194.10898	2.3
195.11732	5.3
196.12567	2.3
197.13199	3.3
199.11165	2.9
199.14954	2.5
200.73567	1.9
201.12772	10.2
201.16283	2.8
203.14366	13.7
207.11952	2.2
207.13788	10.6
209.13252	4.2
209.15372	4.9
211.14801	6.4
213.12807	3.8
215.14317	1.7
216.15150	2.4
219.13889	3.4
221.13431	2.8
221.15373	69.9
223.14752	2.8
225.16324	2.0
229.15894	5.0
233.13289	2.0
234.13905	2.9
234.16145	18.7
235.14937	1.8
239.18083	1.8
247.16930	1.9
249.16367	2.0
253.15869	2.4
282.19974	2.0
286.19336	3.9
287.20096	6.1
295.92322	1.7
300.20923	7.6
329.21219	6.5
378.88501	1.7
391.26193	7.5
392.31458	2.7
409.27356	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.05511	24.2
57.03429	2.8
57.07078	5.0
59.04994	4.8
67.05181	3.4
67.05508	46.2
69.03424	8.2
69.07060	10.9
71.04977	2.7
71.52565	4.0
79.05505	33.6
81.03407	3.1
81.07061	50.1
83.04974	5.1
83.08622	5.7
85.06541	4.1
91.05489	48.9
93.07045	64.2
95.04975	59.7
95.08607	35.4
97.06542	12.6
103.05463	4.7
104.12364	2.2
105.07037	100.0
106.21806	2.3
107.08602	32.5
109.06509	15.2
109.10152	27.3
111.08069	2.8
115.05427	3.1
117.07058	16.9
119.04883	4.1
119.08590	76.3
121.06506	16.5
121.10137	20.2
123.08080	15.5
123.11736	2.8
125.09651	2.5
128.06236	4.5
129.06987	13.8
130.07787	7.6
131.08568	31.0
132.09390	3.6
133.06526	3.3
133.10143	20.5
135.08054	14.1
135.11696	11.6
137.05988	3.2
137.09662	11.7
140.54176	2.4
141.06984	8.1
142.07777	15.5
143.08585	17.5
144.09348	7.5
145.10132	42.9
147.08061	12.6
147.11687	48.2
149.09601	10.8
151.07533	8.7
153.06940	2.8
155.08554	9.3
155.10605	3.3
156.09352	5.7
157.10139	24.6
158.10913	3.3
159.08061	5.6
159.11693	17.4
161.09612	6.8
161.13330	2.8
163.11177	8.0
165.07019	2.5
165.09091	18.1
168.09407	3.7
169.10159	15.8
170.10875	4.5
171.11693	16.3
173.09612	5.7
173.11862	4.4
173.13200	11.8
175.11180	29.0
177.09090	3.9
178.09920	2.8
179.10617	3.3
181.10130	6.2
181.12204	3.4
182.10901	4.7
183.11667	11.0
185.13261	6.5
187.14789	3.4
189.12737	3.3
191.14352	2.6
193.10220	3.0
194.10776	2.9
195.11658	9.8
195.60046	2.7
197.13283	8.9
199.11171	5.3
199.14832	3.2
201.12737	11.2
203.14296	5.9
205.10095	3.1
207.11868	4.2
207.13815	9.4
209.13255	8.1
210.14154	2.3
211.14789	5.1
215.14449	3.6
219.13802	3.1
221.13309	3.4
221.15332	42.4
223.14926	4.1
225.16463	3.9
227.14383	3.0
229.15848	4.4
231.13829	3.6
234.16202	20.8
249.16420	2.1
253.15869	5.5
276.31015	2.2
282.19501	2.7
287.20032	5.9
300.20819	5.7
329.21158	3.3
391.26169	7.5
409.27222	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74166	0.4
53.03944	0.9
54.76699	0.5
54.96055	0.5
55.05518	2.4
57.07058	1.3
61.49757	0.4
65.03950	0.5
67.05507	19.0
69.03425	0.8
69.07073	6.8
69.51179	3.4
71.04993	4.4
79.05505	3.4
81.07060	8.7
81.52988	0.5
83.05000	0.7
84.42868	0.5
85.06539	1.4
87.08117	0.7
89.06019	2.2
91.05482	4.5
93.07050	7.2
95.04971	9.0
95.08609	4.5
97.06544	1.1
100.92750	0.5
105.07032	9.9
105.63288	0.5
107.08619	3.6
109.06531	1.8
109.10161	100.0
111.08116	0.5
117.07040	1.8
119.08587	5.2
121.06487	2.6
121.10165	1.3
123.08072	1.9
123.11684	0.6
127.11192	11.5
128.06253	1.1
129.07025	1.6
129.42424	0.5
130.07819	1.0
131.08539	3.4
133.08621	0.8
133.10159	3.1
135.08041	1.5
135.11696	0.5
137.05997	0.5
137.09631	1.0
141.07004	1.1
142.07788	2.4
143.08591	3.2
144.09340	0.6
145.06548	0.6
145.10138	5.4
147.08037	1.4
147.11690	1.9
149.09633	0.9
151.07582	1.4
155.08569	1.3
156.09306	1.3
157.10147	4.7
159.08089	1.0
159.11690	1.3
160.40361	0.6
161.09610	2.1
165.09160	1.7
166.07808	0.6
167.08517	0.9
168.09386	1.3
169.10170	2.6
171.11728	1.8
173.09624	1.2
173.13284	1.0
175.11185	1.8
176.60765	0.5
179.08572	0.9
180.09473	0.5
182.10925	0.8
183.11699	3.1
185.09648	0.5
185.13330	0.7
187.11111	0.8
189.12868	0.6
193.10138	0.8
195.11739	1.9
196.12550	0.8
197.13203	1.1
199.11165	0.9
201.12711	0.9
203.14540	0.6
206.10945	0.9
207.13766	0.6
209.13336	1.1
211.14851	2.0
221.13290	1.9
221.15427	5.3
223.14806	0.6
234.10333	0.5
234.16138	0.6
239.14377	3.4
247.17094	0.5
253.15913	0.5
255.17445	0.7
273.18488	1.5
287.20129	1.2
317.21051	0.5
363.57925	0.5
371.12119	0.5
391.26328	1.8
393.32343	0.9
409.27420	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	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.3
67.05470	0.6
69.03406	1.5
69.07052	0.8
70.06602	4.4
70.06939	0.9
71.06904	0.6
71.43395	1.2
72.08155	2.0
81.03416	1.2
81.07060	1.2
83.08609	0.9
84.04510	1.2
84.08147	3.2
85.02900	1.6
85.06509	0.6
86.09700	2.4
89.03947	0.6
91.05463	1.3
91.49801	0.6
95.27931	0.6
98.97595	0.8
99.04441	1.2
103.03959	1.2
105.07042	0.8
107.04951	0.7
108.96147	0.8
109.02850	0.9
109.06572	0.6
110.07172	0.6
120.08133	1.9
127.03941	3.2
128.04260	0.7
129.04475	0.7
129.05440	1.0
129.10304	1.5
130.05023	0.6
131.08528	0.7
133.10095	0.9
135.04420	1.3
136.07558	1.0
145.02919	1.0
147.04431	1.0
148.36275	0.7
156.99255	0.6
163.03902	7.1
185.04202	2.0
211.13255	0.8
246.04901	1.4
247.05823	10.3
260.77399	0.6
269.09085	0.7
298.50821	0.6
319.10727	1.0
337.12033	1.2
361.11502	0.7
383.18539	0.6
409.11081	100.0
409.18253	14.6
410.11517	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84492	0.6
55.01849	0.7
55.05513	29.9
56.05028	1.5
57.88964	0.5
58.99300	0.9
58.99586	15.1
60.66624	0.6
61.01143	1.5
69.03410	1.1
69.07078	4.1
70.06593	6.7
71.52049	0.9
72.04518	0.7
72.08154	2.8
73.01132	1.3
74.00690	0.6
76.02219	7.1
76.03999	2.3
79.05473	1.3
79.89912	0.6
81.03457	0.6
81.07046	2.1
83.04983	0.8
83.06104	2.5
83.08622	41.1
84.04507	24.7
84.08157	3.6
85.01093	0.6
85.02900	1.9
85.04823	0.6
86.09712	5.0
86.99057	12.1
88.02209	2.9
93.07040	1.0
95.04934	0.7
95.68124	0.5
97.02890	0.7
99.02683	1.1
99.04469	0.8
99.05570	2.3
100.07614	1.3
101.07916	0.7
101.09654	2.4
102.05514	0.6
105.00112	1.2
105.06995	0.7
107.08614	1.4
110.07165	1.2
111.04400	1.3
113.04195	0.7
114.03744	0.9
114.42325	0.6
115.05739	0.8
116.01682	61.6
116.07014	0.7
118.01295	0.6
120.08098	3.8
127.03954	1.0
129.05421	0.6
129.06567	4.5
129.07391	1.8
129.10246	2.2
130.05014	6.4
133.10114	0.6
137.02357	0.9
139.03993	0.6
141.07317	1.2
142.03253	3.9
144.01147	33.8
145.05022	0.6
145.06920	0.9
147.07695	0.9
153.01022	2.5
155.03441	1.8
159.08394	27.8
160.05070	1.0
162.02206	100.0
163.03940	1.2
170.02690	1.3
173.04500	1.4
176.03767	4.6
176.09380	0.7
176.11064	3.1
181.00522	7.7
181.06036	0.7
192.07643	0.8
193.08615	0.6
199.05347	0.7
199.07100	0.8
205.09038	1.5
211.09676	1.3
216.13181	0.6
229.10675	2.0
233.16580	1.3
237.14920	1.2
244.10004	1.8
245.05914	1.4
246.07643	4.2
259.10956	0.7
261.10788	0.8
262.11093	63.4
271.10861	1.4
274.10159	0.6
279.13757	26.4
291.58939	0.6
299.52872	0.6
319.13290	1.1
333.14807	19.4
341.11340	1.6
345.14902	1.0
391.15039	1.3
408.12878	1.2
408.17853	8.8
409.16055	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	408.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.1
56.05032	2.0
57.03444	3.5
70.02606	6.8
70.02966	3.2
71.06117	1.7
74.00666	14.0
76.04012	14.8
83.06094	2.4
84.04515	52.4
85.04034	9.9
85.06535	1.8
86.02402	1.6
88.03976	3.5
92.01703	19.1
99.05589	99.0
100.09467	1.6
102.87856	1.6
107.06084	6.6
108.04498	2.6
112.03972	12.7
113.03493	4.1
117.03714	3.6
127.05046	15.1
130.05017	88.1
131.04504	11.3
133.03180	4.1
135.05527	5.1
136.03928	3.9
139.03252	1.7
140.05217	2.1
145.06099	100.0
149.03772	6.0
150.50021	1.8
153.06625	23.9
153.93613	1.8
160.00648	6.6
163.03824	2.6
176.07443	2.2
177.03313	99.5
178.01721	12.8
181.06120	11.9
185.03816	7.0
195.02670	3.3
195.04369	44.0
199.07167	20.7
203.04912	1.8
211.07162	2.9
231.04332	5.1
243.07970	6.8
249.05479	3.1
256.09299	8.2
258.33395	1.9
261.09113	8.7
274.10367	25.8
280.91428	1.7
285.99692	2.2
288.06580	13.5
306.07593	38.5
324.08591	4.6
408.14066	3.2
432.48273	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	407.3676
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03954	3.8
55.05516	15.5
56.29054	2.4
57.07064	10.9
59.05010	3.8
67.05231	2.4
67.05515	26.7
69.07076	47.7
69.95691	2.6
71.04987	5.9
71.08600	2.8
71.52525	3.7
79.05505	23.1
80.98119	2.7
81.06593	4.3
81.07064	88.4
83.04968	2.8
83.08629	16.4
85.06539	7.9
89.06012	6.9
91.05487	28.2
93.07051	45.8
95.04955	5.0
95.08619	64.6
97.10152	4.4
105.07044	47.2
107.08599	59.4
109.10172	50.5
111.08079	11.6
111.11715	3.4
115.05480	2.8
117.07035	11.4
119.08586	61.1
121.06533	2.4
121.10157	38.9
123.08052	7.4
123.11729	26.4
125.09680	2.6
129.07014	7.3
130.07809	5.1
131.08589	21.6
133.10164	39.6
135.08086	5.7
135.11693	31.8
137.09601	4.0
137.13261	12.5
141.07016	3.2
142.07796	9.4
143.08540	17.4
144.09319	5.5
145.10124	37.1
147.11710	21.3
149.09630	2.7
149.13271	18.2
151.11168	2.4
155.08585	7.7
156.09401	5.4
157.10164	31.9
159.11726	37.3
161.09642	5.0
161.13269	23.5
163.11157	3.2
163.14861	7.8
165.12730	3.1
167.08542	3.4
169.10161	19.4
171.11716	17.2
172.12509	3.6
173.13292	27.1
174.25276	2.6
175.11209	7.0
175.14832	21.6
177.16399	6.2
181.10179	4.9
183.11765	9.0
185.13348	13.4
187.14865	15.3
189.12756	4.0
189.16449	10.2
191.17986	3.9
195.11787	6.3
197.13237	9.7
199.14821	12.5
201.12822	4.8
201.16402	17.6
203.18013	10.0
209.13358	6.1
211.14807	4.8
213.16389	6.5
215.17923	11.8
217.19487	5.9
223.14748	4.3
225.16499	5.5
227.17989	5.3
229.19516	7.2
231.21068	3.9
235.14871	3.5
239.17943	4.6
241.19504	5.1
243.21165	3.9
255.21146	6.9
257.22736	10.5
269.22513	4.1
271.24411	5.7
281.22675	3.4
283.24350	8.1
295.24319	3.6
297.25757	4.9
315.23203	2.7
323.27292	5.5
325.28876	10.6
337.28836	6.2
351.30423	4.7
390.78613	2.8
407.25284	6.6
407.30496	5.0
407.36771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03925	3.9
55.05521	15.9
57.07075	10.7
61.74468	2.7
67.05511	20.3
67.42973	2.9
69.06739	3.9
69.07076	48.2
69.19680	25.9
69.20089	4.5
78.44286	2.7
79.05510	12.1
81.07064	64.1
83.08620	14.6
85.06546	3.3
89.06010	5.4
89.39670	3.0
91.05479	11.2
93.07040	37.1
95.08613	55.2
97.10184	5.4
105.07059	34.5
107.08597	37.7
109.10164	50.0
111.08071	3.5
111.11819	3.3
117.07017	4.0
119.08598	40.0
121.10152	26.4
123.08073	3.6
123.11713	16.0
128.06242	4.1
129.07021	6.4
131.08586	16.0
133.10141	30.1
135.11679	19.5
137.13263	13.7
142.07712	3.5
143.08580	9.3
145.10112	22.2
147.11716	18.9
149.13263	12.5
157.10109	17.4
159.11691	27.1
161.13289	17.9
163.14838	9.7
169.10165	7.6
169.39221	3.1
171.11684	15.5
173.13271	17.1
175.14827	12.2
177.16368	6.7
183.11696	5.0
185.13254	6.5
187.14862	9.1
189.16415	10.2
191.18018	5.6
194.11002	3.2
197.13313	4.7
199.14778	14.9
201.16388	13.6
203.17999	9.7
209.13271	3.3
211.14870	6.6
213.16426	10.3
215.17982	9.9
217.19476	5.4
225.16379	3.0
227.17989	9.9
229.19527	6.4
239.17981	4.6
241.19592	5.1
243.21172	5.2
253.19565	4.7
255.21053	10.6
257.22729	10.5
269.22647	6.5
281.22839	4.0
283.24191	8.8
297.25806	3.7
323.27127	3.9
325.29089	5.4
337.29196	3.4
407.36768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.05505	4.1
57.07073	3.7
59.04999	3.4
59.17284	0.9
67.05510	6.6
69.07067	4.2
71.08636	0.9
79.05502	6.2
81.07057	10.2
83.04976	0.9
83.08607	1.8
85.06546	3.3
89.06039	3.1
91.05482	13.4
93.07050	18.9
93.93565	1.0
95.04982	3.4
95.08607	8.3
97.06525	1.2
105.07030	22.4
107.08600	30.5
109.06522	3.2
109.10162	8.2
111.08073	3.4
115.05451	1.4
117.07019	3.7
119.08595	16.6
121.06504	8.8
121.10159	5.4
123.04448	2.8
123.08094	2.5
123.11721	2.3
128.06206	2.2
130.07787	1.4
131.08562	5.4
131.98247	1.0
133.10138	48.2
135.08057	3.2
135.11713	10.7
137.05994	2.0
137.09599	2.3
141.06920	1.2
142.07806	4.3
143.08566	6.7
145.10123	11.2
147.11694	2.3
149.09625	2.0
151.11237	1.6
155.08609	1.5
157.10146	7.7
159.11737	5.6
161.09625	21.2
161.13254	2.1
163.11194	1.8
169.10178	5.1
171.11732	3.3
171.98218	0.9
173.13257	3.2
175.11215	3.4
175.14842	2.2
179.10680	100.0
181.10120	1.9
183.11752	2.7
185.13226	1.5
187.14882	2.1
189.12769	1.4
195.11615	1.0
197.11752	5.0
197.13269	1.1
199.14842	1.3
201.12700	1.7
201.16380	3.2
202.77112	1.2
207.11703	1.4
209.13219	2.0
217.15938	1.2
219.06813	0.9
223.14861	1.1
235.15019	1.0
249.18533	1.3
265.19574	1.5
304.17859	1.1
352.38306	1.1
407.25369	1.6
407.31024	2.0
407.36734	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	407.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59838	4.0
53.03942	12.9
55.05504	20.1
57.07064	7.8
59.04988	14.1
67.05506	27.9
69.03423	8.2
69.07068	19.1
71.04981	12.2
79.05499	38.1
81.07058	70.3
83.08638	6.8
85.06544	19.9
89.06055	7.8
91.05486	41.2
93.07045	74.7
95.04975	27.5
95.08612	42.5
97.06530	6.9
98.21552	9.7
105.07032	100.0
107.08589	53.3
109.06539	10.6
109.10159	39.4
111.08069	25.9
117.07005	23.1
119.08589	98.9
121.06528	10.6
121.10168	38.5
123.08075	19.7
123.11685	9.9
128.06181	11.0
129.07008	20.4
130.07768	7.6
131.08559	46.3
133.10135	52.2
135.08054	12.7
135.11714	21.6
137.09607	15.0
141.06985	8.4
142.07802	32.5
143.08565	40.5
144.09352	8.7
145.10120	76.2
147.11691	23.1
149.09639	9.5
149.13222	8.7
151.11232	10.7
152.10652	5.7
155.08600	9.7
156.09337	15.1
157.10132	68.5
158.10828	6.1
159.11711	29.0
161.09578	11.6
161.13246	6.9
163.11160	8.6
165.06949	6.4
167.08534	8.0
169.10127	37.4
169.13377	19.5
170.10878	6.6
171.11697	21.0
173.13290	24.1
175.01340	5.5
175.11205	16.8
175.14836	17.0
179.08504	9.6
181.10043	6.8
183.11694	22.6
184.68646	5.5
185.13248	16.9
187.11124	9.3
187.14920	12.0
189.12762	11.5
193.10196	5.6
194.10852	5.7
195.11757	13.6
197.13229	12.8
199.14781	9.3
201.12730	9.7
201.16422	10.6
206.11012	7.6
207.11734	9.6
209.13290	17.2
211.14778	8.5
221.13402	9.5
223.14812	7.1
225.16238	8.1
235.14870	7.4
237.16197	6.9
249.18433	5.5
355.32199	4.9
375.26810	7.1
407.29758	9.4
407.36523	8.7
424.11160	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	407.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50202	2.5
53.03944	6.5
55.05512	17.9
55.92992	2.1
57.07076	10.9
59.04993	10.5
65.03938	4.1
67.05508	23.4
69.07072	29.7
70.83023	4.2
71.04984	9.0
71.08617	3.5
73.06528	2.8
79.05499	29.2
81.07061	48.4
83.04993	3.9
83.08620	9.3
85.06547	20.1
85.19702	2.1
89.06014	3.5
89.26705	2.1
91.05482	44.8
93.07050	59.7
95.04970	4.1
95.08000	2.6
95.08609	46.1
97.06567	3.7
99.08100	2.5
103.05465	6.4
105.04568	2.2
105.07037	81.3
107.08595	57.2
108.05737	2.7
109.06533	5.7
109.10159	33.4
111.08084	22.7
115.05453	6.1
117.07017	16.3
119.08588	100.0
121.06537	4.3
121.10148	39.9
123.08084	21.3
123.11697	10.2
125.09608	2.6
128.06233	11.4
129.07031	16.2
130.07770	7.9
131.08585	40.2
133.10133	50.0
135.08049	12.4
135.11697	26.3
135.41270	2.1
137.09613	8.7
141.06975	11.8
142.07813	30.5
143.08577	35.8
144.09357	7.8
145.10133	74.7
147.08029	2.7
147.11713	15.9
149.09630	10.4
149.13235	6.9
151.11166	4.3
153.07011	6.1
154.07788	7.8
155.08545	14.6
156.09398	10.8
157.10135	73.7
158.10846	5.3
159.11707	39.1
160.08810	5.0
161.09589	2.6
161.13283	11.9
163.11171	6.5
165.07056	3.4
167.08578	5.9
168.09346	5.6
169.10115	35.8
170.10893	4.0
171.11687	25.0
173.09636	5.1
173.13258	33.7
175.11258	18.7
175.14859	20.3
177.12706	3.3
179.08589	6.9
181.10152	12.4
182.10910	4.5
183.11690	20.3
185.13217	14.3
186.13972	3.1
187.11159	4.3
187.14796	13.4
189.12769	11.3
189.16437	2.9
191.14273	2.9
193.10185	6.0
193.12215	2.4
194.10919	5.6
195.11696	7.2
196.12488	4.0
197.13223	10.7
198.50742	2.4
199.14832	7.8
201.12822	14.6
201.16402	15.6
203.17844	3.1
205.15880	3.4
206.10960	4.0
207.11703	9.5
208.12408	3.4
209.13307	18.4
211.14812	8.8
213.16475	3.3
215.17937	3.6
217.15993	4.6
219.17519	5.1
221.13246	10.0
223.14812	8.8
223.16864	4.4
225.16428	3.9
227.17981	4.1
231.17439	4.0
233.13361	2.8
235.14812	6.9
237.16519	3.0
239.18138	3.9
241.19516	3.1
249.18533	6.5
253.19638	3.8
254.16660	5.6
255.17499	3.7
255.21042	2.7
257.22745	4.2
263.17755	3.4
265.19489	6.2
275.17825	3.5
283.20596	3.6
323.23602	2.5
323.27246	2.7
328.24020	2.8
342.09708	2.7
375.26773	5.5
407.29791	16.3
407.36774	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	407.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.05513	18.4
57.07072	11.0
59.05006	10.7
65.03932	3.2
67.05513	28.0
69.03439	3.3
69.07061	18.8
69.92768	14.5
71.04996	12.8
73.06581	3.1
77.03959	3.5
79.05084	3.3
79.05507	38.3
81.07071	41.2
83.08633	9.0
85.06544	24.2
91.04964	5.2
91.05482	44.4
93.07056	61.8
95.04975	9.9
95.08616	38.0
97.06562	5.6
99.08080	4.5
103.05493	5.5
105.04549	2.8
105.07038	71.7
105.07698	5.6
107.08600	51.3
108.05716	3.1
108.48888	2.4
109.06556	6.8
109.10168	22.5
111.08069	26.0
115.05463	6.8
116.06235	4.2
117.07044	29.7
119.08595	100.0
121.06527	4.5
121.10159	32.1
123.08100	21.7
123.11718	6.0
125.09630	3.5
125.41337	2.7
128.06239	14.4
129.07008	19.2
130.07832	8.3
130.25327	2.9
131.08572	39.8
133.10149	58.3
135.08072	12.7
135.11734	24.6
137.09624	11.2
139.11143	3.0
141.07002	7.8
142.07785	31.0
143.08571	36.2
144.09375	4.0
145.10136	59.2
147.11710	16.1
149.09631	14.5
151.11163	4.4
153.06998	5.6
154.07808	10.3
155.08557	12.6
156.09314	13.9
157.10161	64.0
158.10922	5.9
159.11699	38.7
160.08884	6.8
161.09692	6.2
161.13287	11.7
163.11200	7.1
163.14787	3.4
167.08591	6.1
168.09390	6.8
169.10162	40.1
170.10931	7.9
171.11682	21.4
173.09715	4.6
173.13301	27.9
175.11214	21.7
175.14842	17.6
179.08559	8.4
180.09341	4.4
181.10126	10.6
182.10918	4.6
183.11711	21.3
185.13243	17.6
186.14018	3.3
187.11269	4.5
187.14865	8.8
189.12775	15.1
191.14333	5.1
193.10107	7.0
194.10991	6.5
195.11728	11.7
196.12547	6.0
197.13300	11.7
199.14813	14.7
201.12778	19.3
201.16434	14.7
206.10925	4.2
206.67873	3.1
207.11768	8.8
209.13269	14.7
211.14832	5.9
213.12738	3.4
213.16307	3.4
215.14375	3.7
219.17442	6.1
221.13281	12.8
223.14851	6.4
223.16925	5.9
235.14778	7.3
236.15572	3.0
241.19595	6.3
249.18628	6.6
251.89105	3.3
253.15842	5.4
265.19412	6.0
375.26913	9.0
407.29938	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	407.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.0
55.05515	15.6
57.07071	13.1
59.04991	12.7
63.80428	2.0
67.05499	23.5
69.03395	2.4
69.07072	22.0
69.79903	6.2
69.80325	4.3
71.04984	10.3
71.08604	2.4
74.37193	2.1
77.03895	2.0
79.05493	37.6
79.08147	2.6
79.60941	1.8
81.07059	47.4
83.04970	3.4
83.08614	10.9
85.06538	24.5
89.06005	2.9
91.05482	45.3
92.47678	1.9
93.07042	64.3
95.04951	5.6
95.08604	44.3
97.06529	3.9
97.10168	2.3
103.05431	4.6
105.07026	79.7
107.07886	3.5
107.08593	58.2
108.05693	3.7
109.06491	8.7
109.10151	32.2
111.08080	28.9
111.09212	2.6
115.05463	4.2
117.07022	19.1
119.08585	100.0
121.06503	4.9
121.10134	32.8
123.08058	23.4
123.11685	11.9
125.09628	3.2
128.06221	10.8
129.07016	16.6
130.07780	11.4
131.08566	37.7
133.06535	3.2
133.10123	48.3
135.08058	10.6
135.11678	25.7
137.09630	11.2
141.07019	9.5
141.07936	2.2
142.07765	29.2
143.08560	34.7
144.09323	6.4
145.06424	2.4
145.10117	57.8
147.07976	3.4
147.11679	15.5
149.09610	5.6
149.13261	6.0
151.11150	5.5
154.07745	7.4
155.08554	13.5
156.09341	14.9
157.10124	65.0
158.07185	2.2
158.10858	5.0
159.08070	2.8
159.11691	35.9
161.09619	4.6
161.13235	8.6
163.11165	7.9
163.14818	4.2
165.06935	5.0
165.12769	2.3
166.07755	2.1
167.08553	7.9
168.09332	5.5
169.10114	33.4
170.10902	7.3
171.11667	24.1
173.09560	3.2
173.13277	24.9
175.11189	22.2
175.14833	23.0
177.12776	2.5
179.08514	10.6
180.09297	2.9
181.10107	11.0
182.10857	2.6
183.11707	20.8
185.13217	11.8
187.11197	2.8
187.14786	8.9
189.12712	12.5
191.14284	4.2
193.10127	7.4
194.10922	6.7
195.11685	11.7
196.12500	3.9
197.13278	12.2
199.14749	10.5
201.12746	12.1
201.16380	14.7
203.14331	3.2
205.15706	2.9
206.10800	3.2
207.11662	10.2
209.13271	14.6
211.14763	7.8
213.12689	2.9
213.16339	4.1
215.14212	2.3
217.15938	3.7
219.17422	5.5
221.13266	6.9
222.14030	2.2
223.14728	4.5
223.16838	4.1
225.12604	2.2
225.16322	2.7
227.14337	4.0
229.15741	3.1
231.17461	4.1
235.14824	6.0
239.14378	2.4
241.19548	4.5
245.13094	2.9
249.18414	6.8
253.19319	4.0
254.16754	3.2
255.17332	2.5
265.19412	4.9
283.20541	6.5
291.21161	2.5
293.51035	2.1
315.23193	2.1
328.23853	3.5
342.10626	2.1
357.25769	3.4
375.26761	6.6
407.29886	14.1
407.36877	15.0
422.68332	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	407.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.05515	17.6
57.07062	10.2
57.47344	2.9
58.45553	3.1
59.05006	17.1
67.05506	29.6
69.03411	3.8
69.07076	37.9
69.16920	31.5
69.17339	7.0
71.04982	10.3
73.06542	3.9
79.05151	3.0
79.05505	38.4
81.07063	56.1
82.97373	3.0
83.08624	13.1
83.69158	2.9
85.06539	17.5
89.06016	4.3
91.05469	42.6
93.06483	5.7
93.07043	65.0
95.04967	6.7
95.08607	54.1
97.10184	3.4
103.05443	6.1
105.07032	82.5
107.08592	66.9
109.06509	4.6
109.10169	46.1
111.08073	21.0
111.11708	4.3
115.05463	4.4
117.07029	23.8
119.08582	100.0
121.10152	40.7
123.08067	16.4
123.11726	18.1
128.06245	13.4
129.07005	16.2
130.07771	8.2
131.08588	32.0
133.10141	51.5
135.08043	10.1
135.11699	34.2
137.09592	6.8
137.13205	4.3
137.60968	3.4
141.06978	13.2
142.07784	28.5
143.08560	42.4
144.09341	5.4
145.10127	63.4
147.11726	21.8
149.09598	8.3
149.13223	10.5
151.11205	5.6
153.12886	4.0
154.07733	6.3
155.08621	15.5
156.09357	8.8
157.10132	74.2
158.07381	3.4
158.10933	6.0
159.11700	44.5
160.08888	4.6
161.09653	5.4
161.13248	14.4
163.11180	5.7
163.14900	9.3
165.06990	6.0
166.07739	3.5
167.08513	7.9
168.09348	6.3
169.10139	34.4
170.10909	5.5
171.11700	26.5
173.13260	29.7
175.11230	18.6
175.14870	28.1
177.16362	4.4
179.08559	6.2
180.09331	3.9
181.10117	11.5
182.10805	5.6
183.11664	17.9
184.12334	4.3
185.13290	20.2
187.14809	16.0
189.12796	11.5
189.16396	6.3
191.14284	4.4
194.10884	4.8
195.11687	10.3
196.12479	4.6
197.13287	13.6
199.14848	11.9
201.12755	13.0
201.16367	24.7
203.14284	4.0
203.17921	3.9
207.11699	6.8
209.13261	12.6
211.14766	7.5
213.16275	4.2
215.17946	6.1
217.15828	3.9
219.17444	5.9
221.13258	9.3
223.14839	5.5
223.16869	3.9
225.16400	3.8
235.14825	8.0
237.16460	3.8
239.18008	4.4
241.19475	6.9
243.20993	5.1
249.18533	6.6
264.29156	3.3
265.19388	4.5
283.20593	3.9
290.13071	3.1
311.88742	4.0
337.28461	3.9
369.81839	3.4
375.26770	7.0
407.29440	11.1
407.36853	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.9
55.05508	16.9
57.07066	13.1
59.05000	11.8
67.05519	23.4
69.07062	19.4
71.04998	9.1
71.08625	4.0
79.05515	33.9
81.07069	54.9
83.08611	13.3
85.06557	21.0
89.06050	5.7
91.05492	50.2
93.07059	53.5
95.04983	19.0
95.08623	43.1
97.06538	10.3
97.10197	6.1
98.21582	6.2
101.06006	4.9
103.05509	5.7
105.07043	87.8
107.08607	53.2
109.06506	12.8
109.10178	27.1
111.08116	29.5
112.75456	4.4
115.05498	7.6
117.07041	24.4
119.08598	100.0
121.06512	7.5
121.10159	26.2
123.08096	21.1
123.11723	8.9
128.06223	14.1
129.07002	17.0
130.07803	11.2
131.08609	38.1
133.08643	10.0
133.10147	46.2
135.08047	10.4
135.11691	20.9
137.09627	17.9
141.07021	8.1
142.07813	26.7
143.08571	41.9
144.09351	9.1
145.09070	5.8
145.10136	65.0
147.11693	13.9
149.09639	9.5
154.07751	5.1
155.08540	15.8
156.09358	11.6
157.10152	75.2
158.10939	5.6
158.67700	4.4
159.11696	40.2
161.09579	8.0
161.13278	9.4
163.11212	9.0
167.08597	8.0
168.09363	7.2
169.10156	37.5
170.10912	5.9
171.11703	21.9
173.09659	5.2
173.13293	17.8
175.11159	24.4
175.14848	19.8
179.08539	10.8
180.09224	6.4
181.10147	8.7
182.10791	4.1
183.11714	24.5
184.12366	4.4
185.13280	13.6
187.11258	6.6
187.14784	10.8
189.12790	14.6
194.10983	7.2
195.11838	8.0
196.12526	6.7
197.13298	10.7
199.11186	5.3
199.14874	11.8
201.12773	13.5
201.16452	15.8
205.15840	8.3
205.30704	5.0
207.11707	12.5
209.13289	14.0
211.14787	6.4
215.14331	4.2
220.12230	5.4
221.13208	9.8
223.14864	8.4
225.16328	6.5
235.14932	5.9
239.14572	4.6
249.18567	10.3
267.17554	5.0
284.26730	31.8
328.24069	4.8
375.26935	8.6
376.35263	5.3
376.45572	4.1
407.25110	8.7
407.29446	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	407.2582
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
53.03940	1.1
55.01849	1.0
55.05500	1.6
57.07079	2.2
59.04985	1.4
61.70015	0.3
65.03931	0.7
67.05247	0.3
67.05511	3.7
69.03436	2.1
69.07056	1.6
71.04994	0.4
77.03931	0.7
79.05495	6.9
81.03399	0.8
81.07056	7.3
83.04981	1.8
85.06548	2.4
91.05479	8.9
93.06485	0.7
93.07048	10.7
95.04976	13.4
95.08613	3.9
97.06533	2.3
103.05471	1.4
105.03395	0.4
105.04568	0.4
105.07033	15.7
107.04970	0.6
107.08591	7.7
109.06522	5.0
109.10153	0.9
111.07973	0.4
115.05444	1.4
117.07028	3.8
119.04914	0.7
119.08585	11.5
121.06514	3.9
121.10143	2.8
122.07271	0.7
123.08070	4.8
123.11674	0.7
123.32203	0.3
125.05978	1.0
128.06221	2.4
129.07022	3.3
130.07782	1.4
131.08556	7.6
133.06512	2.4
133.10133	5.6
134.41116	0.4
135.08044	4.8
135.11699	1.1
137.06020	1.0
137.09645	1.9
139.07547	0.8
140.79282	0.3
141.06978	1.5
142.07796	3.6
143.08563	8.7
144.09349	1.8
145.06464	1.5
145.10127	10.7
146.07294	0.5
147.08054	4.0
147.11702	1.4
148.08717	0.4
149.09647	2.7
151.07556	6.3
153.06964	1.0
154.07838	0.9
155.08542	3.6
156.09364	3.6
157.10126	8.2
157.11330	0.7
158.07281	0.7
158.10881	1.1
159.08064	2.8
159.11700	6.4
160.08878	0.7
161.09598	3.8
161.13287	1.2
163.11174	1.3
165.06985	1.0
165.09097	4.1
166.07825	0.9
167.08597	2.0
168.09335	1.2
169.10132	4.6
170.10890	1.0
171.08031	1.2
171.11685	5.9
172.08841	1.0
173.09608	2.2
173.13252	2.3
174.10400	0.6
175.11172	1.8
177.09123	2.5
178.07654	0.4
179.08543	2.2
179.10713	0.5
180.09274	1.0
181.10127	3.7
181.11786	0.4
181.12299	0.4
182.10945	1.4
183.08060	0.4
183.11707	3.6
184.12466	0.4
185.09628	1.3
185.13307	1.9
186.10388	0.7
187.11188	2.2
189.09122	0.6
189.12755	2.5
191.14417	0.4
192.09384	1.0
193.10175	1.9
194.11006	1.7
195.08116	0.4
195.11726	3.1
195.13606	0.6
196.12512	1.0
197.09650	0.8
197.13263	2.5
198.10323	0.7
199.11227	5.4
199.14813	1.6
200.11989	0.5
201.09041	0.5
201.12781	1.6
203.14337	2.4
204.59775	0.4
205.10101	0.5
206.10942	1.0
207.11691	1.4
207.13835	3.2
208.12419	0.8
209.13301	3.5
210.10501	0.5
210.14111	0.5
211.11205	1.4
211.14862	1.3
212.11859	0.4
213.12691	1.7
215.10677	0.9
215.14325	0.6
217.12187	0.6
219.11751	0.7
220.12656	0.4
221.13235	1.5
221.15392	5.9
222.13945	0.5
223.14845	1.1
224.12065	0.5
225.12753	0.9
225.16379	0.9
227.10719	0.5
227.14330	2.3
227.17960	0.6
229.12137	1.6
231.11682	0.8
231.13689	0.7
233.13248	0.6
235.11084	0.6
235.14786	0.5
237.12743	0.8
237.16441	0.5
239.14388	0.7
241.12181	0.4
246.14177	0.6
247.14772	0.8
249.12708	0.7
251.14151	0.4
253.15793	0.7
255.13728	0.5
259.14883	0.6
263.14252	0.6
265.16003	0.5
267.13876	0.5
267.17361	0.8
269.19046	0.7
271.16910	0.4
273.16245	0.5
277.16147	0.4
279.17395	0.8
285.18515	1.4
286.19183	2.2
287.20087	2.5
298.19238	0.7
299.20563	0.4
305.19092	0.6
315.19586	1.3
323.20413	0.4
351.19604	0.7
373.51581	0.4
389.24741	2.0
407.25812	100.0
408.26172	2.2
427.38028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	26.8
61.71661	11.5
67.05506	16.5
69.07081	13.7
69.60873	24.6
69.61285	52.2
70.06593	55.6
71.04999	13.0
81.07053	15.3
83.08621	12.8
84.08145	26.9
86.09697	30.0
93.07053	16.6
95.04956	12.5
95.08629	25.1
97.06487	13.0
98.21496	21.3
100.11278	32.9
105.07087	16.1
109.06530	26.4
119.08485	13.5
123.08084	51.9
124.68386	12.8
135.08105	12.9
178.66629	13.4
183.13853	14.7
227.16527	20.1
237.77367	12.7
241.85899	12.4
407.33798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
54.94033	1.0
55.01876	1.0
55.05507	1.9
57.07077	2.6
59.04995	1.0
65.03902	1.0
67.05497	5.1
69.03411	2.1
69.07073	1.5
69.70859	4.1
71.04979	1.1
79.05510	7.9
81.03439	1.0
81.07050	7.8
83.04998	1.9
85.06548	3.5
89.90464	0.9
91.05484	9.8
93.07042	12.9
95.04967	15.6
95.08615	3.4
97.06546	2.1
102.75361	0.8
103.05443	1.2
105.07030	18.3
107.04964	1.8
107.08604	8.4
109.06520	4.3
109.10152	1.9
115.05451	1.7
117.07009	5.2
119.08585	13.5
121.06503	5.4
121.10140	4.1
123.08053	6.0
125.05951	1.5
128.06232	2.6
129.07002	4.5
130.07808	1.4
131.08586	7.9
133.06496	3.0
133.10156	5.8
135.08063	4.7
135.11728	0.9
137.09622	1.0
139.07558	0.9
141.07007	1.6
142.07813	4.9
143.08569	9.0
144.09377	2.7
145.10115	12.8
147.08078	4.2
147.11688	1.8
149.09642	3.3
151.07542	7.5
153.06995	1.0
155.08542	3.0
156.09366	3.7
157.10121	11.0
158.10922	1.6
159.08073	2.5
159.11693	6.4
161.09628	4.1
161.13260	1.3
165.06961	1.5
165.09157	4.2
166.07834	1.4
167.08554	1.7
168.09352	1.2
169.10117	6.3
171.11691	7.7
172.08844	1.5
173.09642	4.0
173.13271	3.0
175.11218	2.6
177.09109	2.7
179.08551	2.3
181.10132	3.8
183.11714	4.3
185.09625	2.8
185.13269	2.2
187.11232	3.0
189.12770	2.2
193.10167	2.9
194.10928	2.0
195.11726	3.9
197.13289	3.4
199.11159	4.9
199.14900	2.0
201.12689	1.4
203.14381	2.4
207.11719	2.9
207.13818	2.8
209.13240	4.1
211.11160	1.9
211.14870	1.8
213.12758	2.8
215.50664	1.0
217.12297	0.9
220.12497	1.3
221.13364	1.8
221.15385	5.0
223.11235	1.2
223.14775	1.2
225.12830	1.3
225.16522	1.5
227.14304	2.3
227.17868	1.0
229.12291	2.2
231.13837	1.3
233.13258	1.6
246.14046	1.2
251.14125	1.2
267.13873	1.3
285.18692	1.8
286.19388	2.6
287.20087	2.0
300.76651	0.9
307.40390	0.9
315.19482	1.3
389.24551	2.7
407.25812	100.0
408.26266	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25216	0.9
53.03947	1.8
55.01846	1.0
55.05509	3.4
57.03439	2.4
59.04996	3.0
62.07769	0.9
67.05508	4.6
69.03429	3.8
69.07061	8.4
69.34991	6.3
69.97529	0.8
70.06587	2.8
71.04983	1.8
73.02897	1.1
79.05495	23.6
80.54834	0.8
81.03416	1.9
81.06590	1.9
81.07062	34.1
83.05001	1.7
83.08620	2.7
84.08142	1.7
85.02895	8.1
91.05476	5.4
93.07045	13.7
94.30739	0.8
95.08616	12.1
97.02903	2.6
97.06540	7.3
99.04493	0.9
105.07043	8.8
105.83796	0.9
107.08601	100.0
107.46752	0.8
109.06522	3.7
109.10162	4.9
115.07583	2.6
119.08591	8.9
120.08091	1.6
121.09327	1.8
121.10151	22.7
123.08080	3.9
123.11732	1.2
125.09640	4.1
127.03920	1.7
131.08597	2.2
133.10149	5.8
135.11708	9.0
137.09619	1.6
137.13203	1.2
139.11148	0.9
142.92139	1.0
145.04922	1.8
145.10129	2.1
147.11694	2.0
149.09628	1.1
149.13268	4.0
161.13260	14.3
163.11166	1.1
163.14825	15.4
173.13252	4.0
175.14778	5.6
177.12741	2.2
179.14322	95.2
180.14603	1.0
191.14322	30.5
193.15884	14.3
209.15385	45.5
218.91762	1.0
227.36423	0.9
233.15479	1.5
299.16360	1.2
317.17511	1.5
335.18661	2.4
353.19717	5.2
371.20551	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
56.08736	0.6
57.03440	2.3
59.05029	0.7
60.25748	0.6
61.02929	1.2
66.62933	0.6
67.05505	1.6
69.03429	3.9
69.07072	2.3
69.94892	3.3
70.06599	11.3
71.05006	4.2
71.06964	0.7
79.05499	1.4
81.03408	2.0
81.07076	4.0
83.04978	2.4
83.08615	2.0
84.04510	2.1
84.08165	3.8
85.02917	10.7
85.06532	1.6
85.91911	0.7
86.09718	4.6
89.06026	1.7
93.07047	4.1
95.04987	1.5
95.08615	5.2
96.75443	0.7
97.02907	2.2
97.06534	1.6
99.04435	1.1
103.05487	1.0
105.07036	5.2
107.08615	10.1
109.06505	1.5
109.10173	9.4
111.08061	2.1
112.08743	1.0
115.08721	0.9
119.08607	4.1
120.08122	6.2
121.10159	61.5
123.08100	1.4
123.11758	3.4
125.09636	2.3
127.03910	1.5
129.09154	1.1
129.10217	0.9
131.08585	2.2
133.10155	6.7
135.08046	2.1
135.11708	4.5
137.09641	5.3
139.11179	2.7
145.04982	2.1
145.10176	1.2
147.11708	6.7
149.09673	1.3
149.13268	7.4
151.11186	10.8
153.09148	1.5
153.12694	0.9
157.03716	0.8
158.11005	1.0
163.14845	7.1
169.12280	2.2
173.11032	0.8
173.13289	13.3
183.14958	1.0
191.14330	30.9
209.15398	19.0
227.16441	100.0
374.76563	0.8
387.73425	1.6
388.23291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17163	0.9
55.05502	1.7
57.03433	3.3
59.04995	1.1
59.30391	0.7
61.02911	0.9
67.05486	2.4
69.03439	3.7
69.07058	2.0
69.59161	4.7
70.06596	3.7
71.04994	2.9
72.08142	1.0
79.05519	1.5
81.03414	1.1
81.07051	3.5
83.04984	3.5
83.08615	2.3
84.04494	1.4
84.08131	3.4
85.02913	3.7
85.06497	1.0
86.09705	3.0
89.86751	0.8
91.05473	1.7
93.07043	3.1
95.04978	1.4
95.08595	3.3
97.02873	1.1
97.06522	1.4
97.10173	1.3
99.08109	0.9
101.58824	0.8
105.07032	2.1
107.08611	12.8
109.06506	2.4
109.10165	10.0
111.08122	1.8
115.71310	0.8
119.08590	1.7
120.08116	2.0
121.06556	0.8
121.10165	10.6
123.08057	4.7
123.11726	1.9
125.09630	4.0
127.03883	1.5
129.09134	0.9
129.10159	0.9
131.08585	1.6
133.10132	3.7
135.08061	1.9
135.11687	3.5
137.09648	8.3
139.11125	1.0
143.10689	1.0
145.10106	1.2
147.11681	2.4
149.09624	1.7
149.13271	6.3
151.11185	14.3
153.09064	1.3
153.12729	1.4
163.13597	1.1
163.14842	10.0
165.12810	1.5
169.12367	4.2
173.13290	9.4
191.14330	34.9
209.11719	0.7
209.15385	20.4
227.16437	100.0
306.61719	0.7
434.12296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01874	0.8
55.05513	16.8
56.05033	0.8
57.03436	1.1
59.05009	1.2
60.04530	0.6
63.12293	0.6
65.03933	0.7
67.05505	2.8
69.03425	2.5
69.07061	1.9
70.06603	5.9
71.04979	1.0
71.52064	0.8
72.08155	1.3
73.02914	1.2
74.06500	0.6
79.05483	1.3
81.03401	0.8
81.07056	5.0
83.04985	14.7
83.08154	0.9
83.08624	13.3
84.04500	0.6
84.08167	3.9
85.02894	2.6
85.06550	1.4
86.09721	3.7
87.04439	0.8
91.05484	4.1
93.07064	3.3
95.04980	2.7
95.08600	2.5
97.02892	1.3
97.06567	3.2
97.10156	1.8
99.04457	1.0
99.08099	1.0
105.07035	2.5
107.08610	7.3
109.06528	2.5
109.10165	8.9
110.07132	0.7
111.08099	3.7
112.08797	0.8
113.09641	0.8
117.48476	0.6
119.04939	3.1
119.08575	1.7
120.08099	2.7
121.10165	4.4
123.08079	1.2
123.11715	3.4
125.09647	3.9
127.03944	1.3
129.10251	1.8
131.08607	0.8
133.10161	4.4
135.08081	2.0
136.07578	0.8
136.22470	0.7
145.04921	0.7
145.10184	0.7
147.04427	11.1
147.11682	1.8
149.13283	3.5
151.11198	22.8
167.14325	27.5
173.13281	3.6
175.14622	0.7
191.14314	4.1
209.15382	100.0
210.00276	0.6
210.15695	1.1
227.16486	3.1
254.10136	1.1
282.09552	1.6
287.05807	0.8
303.05127	3.7
310.08948	2.3
328.10144	1.5
338.08386	0.7
346.11325	0.9
356.09436	3.0
359.00583	0.8
377.01965	4.6
388.18765	0.7
395.02637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	3.1
55.05512	17.4
57.03434	2.3
57.07065	2.6
59.05003	2.8
61.02914	3.0
65.03948	2.2
66.64323	2.2
67.05508	9.8
69.03429	8.5
69.07061	6.9
69.45775	2.7
70.06602	20.7
70.09872	4.3
70.10262	5.5
71.04999	5.1
72.08147	7.9
72.89194	2.3
74.06069	2.3
79.05476	8.7
81.03417	3.9
81.07053	20.0
83.04987	16.6
83.08624	15.8
84.04521	3.4
84.08162	13.1
85.02898	17.9
85.06540	13.3
85.06968	2.2
86.09694	9.5
87.04461	2.6
91.05473	11.4
93.07052	13.1
93.53926	2.6
95.04955	11.1
95.08634	13.7
97.02879	4.0
97.06519	12.3
97.48008	2.2
98.97591	6.8
99.04471	5.7
102.99995	2.8
105.07049	19.2
107.04952	4.1
107.08594	29.9
109.06518	22.5
109.10174	19.2
111.08037	6.3
115.07545	4.8
119.04922	3.6
119.08579	15.0
120.08121	4.9
121.10146	25.4
123.08070	5.7
123.11695	7.5
125.09657	5.1
127.03931	6.6
129.10245	4.6
131.08559	18.1
133.10132	48.1
135.08026	8.7
135.11699	4.1
136.07536	5.3
145.04906	3.2
145.10155	12.4
147.11688	15.8
149.09615	6.9
149.13245	10.0
151.11197	21.1
153.09099	8.2
158.10872	4.6
163.03889	8.5
163.14841	7.0
167.10678	4.4
167.14319	25.5
173.13260	54.1
175.14822	38.6
181.04823	3.2
182.05247	3.0
191.10724	5.7
191.14301	31.0
209.11821	8.8
209.15364	100.0
227.12796	10.3
227.16382	16.4
236.63803	2.6
406.17337	3.6
410.75037	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	405.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04525	1.1
70.06599	10.7
71.51441	0.6
72.08145	2.0
72.47089	0.5
74.06075	0.7
79.05452	0.6
84.08136	1.2
86.09705	6.8
91.77823	0.4
104.75519	0.5
112.08784	0.7
116.07140	0.8
127.03916	1.1
130.06514	1.0
145.02859	0.9
146.03209	0.7
147.04456	1.3
155.02254	0.5
157.07507	0.5
163.03937	1.0
177.05487	0.9
178.05830	1.7
181.04942	1.3
185.07104	0.9
229.47316	0.6
231.02921	0.8
261.09558	3.7
300.13354	0.6
303.10672	0.8
335.72345	0.5
343.13632	10.6
345.11703	4.8
375.07422	0.5
387.12354	1.0
405.13693	100.0
406.14111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3731
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05506	6.4
57.07078	11.2
61.03051	1.4
67.05491	1.3
68.57043	1.4
69.07080	10.2
71.08633	5.4
71.52814	2.0
77.35986	1.4
77.87749	1.5
83.01366	9.1
83.08617	6.1
83.09061	1.3
93.07037	2.5
95.08626	4.7
97.06520	3.2
97.10190	3.4
107.08584	3.6
109.10143	2.8
111.08113	1.6
119.08580	1.6
121.06479	2.4
121.10145	2.4
123.08064	2.7
123.93643	1.6
125.05978	5.0
125.09630	5.0
125.42873	1.5
127.07561	2.4
137.09729	1.8
139.07544	18.9
139.11189	4.1
151.11151	3.9
153.09123	5.0
153.12775	2.5
167.10709	6.7
181.12238	10.4
187.83546	1.7
195.13823	7.4
209.15390	5.9
215.60960	2.0
223.16982	2.1
237.18541	2.3
251.20210	2.1
290.82523	1.5
293.24976	2.5
298.14243	1.6
352.41110	1.8
387.35925	1.8
405.13602	1.7
405.37344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05514	6.3
55.05733	1.1
56.90551	1.1
61.89282	1.3
67.05513	2.4
69.03416	2.2
69.07071	10.5
69.17610	9.6
69.18039	3.1
70.06564	2.6
71.04984	5.3
79.05501	2.8
81.07053	7.9
83.08631	4.0
83.69651	1.2
83.76708	1.1
84.08112	1.9
85.02895	4.8
85.06542	4.8
91.05486	9.2
93.07045	4.4
95.04990	1.3
95.08604	8.8
97.02914	1.3
98.21587	2.2
105.07043	22.2
105.78944	1.1
107.08604	16.5
109.10149	2.6
117.06993	3.7
119.08586	100.0
121.10120	3.2
127.03956	2.0
131.08540	1.6
133.10139	21.9
145.04924	1.6
145.10123	3.0
147.11699	3.7
151.86748	1.4
153.95439	1.3
175.14835	85.0
176.15228	1.7
198.36632	1.2
215.09247	3.9
216.67671	1.3
232.79016	1.3
233.10197	4.1
239.85576	1.2
241.41040	1.2
249.42604	1.2
305.22803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
55.01871	6.8
55.05514	100.0
55.49498	3.3
56.05043	5.1
56.96560	8.3
57.03437	9.1
57.09781	4.0
59.05021	4.8
60.04525	12.5
69.03429	28.9
69.07071	6.8
69.72019	23.2
70.06596	45.5
71.01366	3.8
71.04991	17.6
72.08148	27.1
73.02921	5.5
79.05484	5.0
81.03418	12.2
81.07074	9.6
83.04965	9.7
83.08622	76.3
84.04501	14.4
84.08140	33.9
85.02903	39.4
86.09698	29.5
87.04433	4.9
89.03902	4.6
91.05459	8.7
93.07046	6.4
95.04961	5.1
97.02900	38.6
98.97578	18.7
99.04453	25.9
101.09651	12.0
103.03933	24.9
105.07041	5.7
107.04967	4.6
109.02889	11.7
110.07173	8.7
115.03931	33.8
116.07154	4.8
116.98627	7.0
117.03384	5.6
119.04964	6.1
120.08092	8.7
121.10118	5.7
125.02361	11.1
127.03918	40.4
129.10208	9.4
130.05028	4.0
130.06578	3.7
132.10182	5.0
133.04973	17.1
135.04411	3.8
136.07590	8.3
137.06041	4.3
139.11201	7.8
141.10280	6.3
145.02913	3.9
145.04977	12.1
147.11671	4.5
159.09207	9.4
159.11319	14.3
161.04462	14.2
162.02217	4.4
163.03935	21.0
163.06032	5.1
164.04303	5.1
167.10689	8.7
170.99767	4.4
171.02115	14.5
175.06073	12.5
177.00742	5.5
177.05490	4.9
179.05540	8.5
181.04964	17.1
187.10835	10.4
192.44850	4.0
203.05539	9.1
219.01721	6.7
219.13510	11.6
221.06552	4.3
237.02736	6.2
243.07610	4.4
243.15915	8.4
261.06451	5.6
261.13181	5.5
279.07520	27.5
303.07578	4.0
321.08643	10.5
323.53516	6.2
326.89066	4.2
355.09036	5.1
363.09537	4.3
387.28470	5.1
405.11533	62.8
405.16730	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01868	1.0
55.05508	1.1
56.05013	0.5
57.03430	0.7
60.21598	0.4
61.02929	0.8
67.05501	2.2
69.03432	2.1
69.07061	0.7
70.06590	2.7
71.04991	1.3
71.52184	0.6
72.08154	0.9
73.02932	0.6
74.00672	0.7
78.77251	0.5
79.05499	2.8
81.03415	1.7
81.07059	4.0
81.90239	0.4
83.04990	3.5
84.04539	0.4
84.08160	2.5
85.02908	6.4
85.06519	0.5
86.09702	2.0
87.04489	2.2
88.03934	0.6
91.03965	0.6
91.05475	2.1
92.01688	0.5
93.07047	5.7
95.04977	2.6
95.08602	3.9
97.02888	1.9
97.06517	2.0
98.91000	0.5
98.97594	1.3
99.04458	0.5
102.05544	0.4
103.05473	0.5
105.07043	3.3
107.04948	0.8
107.08615	4.1
109.02886	0.7
109.06502	2.4
109.10172	1.0
110.07200	0.7
111.08075	0.6
117.07021	1.1
119.08589	4.9
120.08124	1.9
121.06489	1.1
121.10143	15.8
122.02704	0.5
123.08069	100.0
124.08414	0.5
125.05978	1.0
125.09698	0.5
127.03876	1.0
129.06961	0.6
129.10255	1.2
131.08556	1.2
133.10139	2.0
135.01123	6.0
135.08069	0.6
135.11685	2.7
137.09613	1.1
145.04944	1.4
145.06113	0.4
145.10120	1.5
147.04362	0.5
147.11665	1.2
149.09630	2.6
149.13266	1.4
151.11188	7.0
152.03760	7.6
152.06953	0.5
156.07663	0.4
157.01738	0.5
157.10048	0.5
159.11725	3.0
161.09671	0.7
161.13248	0.8
163.11171	2.9
165.12814	0.9
167.10669	3.4
167.65115	0.4
177.12848	2.1
181.12221	7.8
182.58163	0.4
189.12823	1.4
189.16417	0.5
202.08658	0.5
203.09326	0.5
204.10176	1.5
207.13803	6.2
216.10141	0.8
217.15651	0.4
225.14854	20.1
303.04080	0.7
376.86234	0.5
386.15881	2.3
404.16711	1.2
404.21246	0.6
405.15076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01880	0.8
55.05511	1.1
57.03440	0.7
59.04988	0.6
61.02920	0.8
64.84909	0.4
67.05506	2.3
69.03442	2.3
69.07053	1.0
69.84454	1.8
70.06591	1.6
71.05009	0.9
72.08167	1.2
73.02914	0.4
73.45396	0.4
79.05491	1.6
81.03419	1.1
81.07070	3.5
83.04996	2.7
84.04523	0.8
84.08161	2.2
85.02905	6.1
86.09701	2.2
87.04487	2.4
88.03989	0.7
91.05484	4.1
93.07050	5.8
95.04984	2.2
95.08613	3.1
97.02908	1.8
97.06526	2.2
98.97594	1.9
99.04460	0.7
99.08121	0.4
102.98525	0.7
105.07046	2.6
107.04954	0.5
107.08604	4.1
107.94446	0.4
109.02856	0.7
109.06526	2.1
109.10172	1.1
110.07181	1.2
111.08092	0.6
116.98651	0.6
119.04954	0.4
119.08579	4.9
120.08129	2.7
121.06516	1.4
121.10157	15.2
122.02731	0.4
123.08080	100.0
124.08396	0.9
125.05996	0.5
127.03940	1.3
129.10262	0.7
131.08557	0.9
133.10149	1.6
134.02782	0.4
135.01131	4.5
135.11746	2.3
137.09598	0.7
145.05003	1.5
145.10143	1.8
147.04391	1.0
147.11707	1.7
149.09631	1.7
149.13242	1.3
151.11194	7.4
152.03775	7.6
156.11613	0.4
157.01787	1.0
159.11694	2.8
161.09610	0.6
161.13263	0.7
163.11250	2.5
165.09132	0.5
165.12752	0.5
167.10715	3.1
173.09541	0.4
175.02827	0.7
177.00749	0.4
177.12830	1.1
181.12271	6.4
189.12708	1.1
201.00862	0.6
204.10252	0.7
207.10349	0.5
207.13811	5.3
219.01880	0.6
220.72205	0.4
225.14876	18.7
292.55374	0.4
303.04016	1.4
346.16913	1.0
386.15894	1.2
404.16702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	3.3
55.05509	5.2
56.05029	3.0
56.96532	3.6
60.04513	4.4
63.29180	2.5
66.14981	2.1
67.05495	2.3
67.47437	2.2
69.03444	4.8
69.07068	4.8
70.06599	36.4
71.51878	4.8
72.08153	13.7
74.06083	4.0
74.09723	3.0
79.05468	4.9
79.81129	2.3
81.03422	4.4
81.07047	5.3
83.04971	3.8
84.04498	7.6
84.08148	31.5
85.02905	11.8
86.09707	42.7
91.05490	6.6
93.07068	4.0
95.08625	3.9
97.02931	6.2
98.97604	3.1
99.04450	2.8
105.07014	9.7
107.08592	27.7
109.02895	3.0
109.06535	3.0
109.10184	3.1
110.07190	5.4
119.08582	9.3
120.08092	6.6
121.10135	5.5
123.08057	5.8
127.03891	4.9
128.10716	5.5
129.10257	13.9
130.08612	3.6
133.06496	18.3
133.10132	9.3
135.08136	3.0
137.06053	2.5
137.09630	6.1
147.11638	9.8
149.09552	5.2
151.11188	6.6
161.09595	4.9
163.11230	6.3
167.10658	8.4
177.05446	3.1
179.10638	7.9
181.04942	9.8
189.12727	24.2
191.14317	16.0
197.11745	100.0
207.13861	24.4
252.06863	9.7
359.16989	8.6
404.11447	4.9
404.16013	31.9
405.16718	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.1
56.05026	3.3
60.04515	3.1
62.97698	3.5
67.05498	6.5
69.03430	11.8
69.07082	5.0
70.06597	34.2
70.07639	13.4
72.04508	4.4
72.08156	10.2
78.95404	3.1
79.05488	12.7
81.03419	4.5
81.07065	11.1
82.50002	2.9
83.04974	7.0
84.04514	8.7
84.08121	19.8
85.02900	16.5
85.06590	2.9
86.09708	47.4
87.04475	7.1
87.10036	8.6
91.05481	12.7
93.07051	11.5
95.04981	8.7
95.08598	10.9
98.06078	4.1
98.20768	4.0
98.97569	4.9
99.04427	4.7
100.07619	5.3
102.05547	6.1
103.05431	5.2
105.07029	14.4
107.04958	4.4
107.08603	27.1
109.02890	5.9
109.06511	8.0
109.10164	7.0
110.07178	6.4
115.72602	3.1
119.04964	4.5
119.08593	21.1
120.08089	10.1
121.06507	9.3
121.10138	12.3
122.39491	2.9
123.08058	14.0
124.00477	4.0
126.05460	3.5
127.03945	4.4
129.10217	6.5
131.08537	3.4
133.06508	52.3
133.10146	7.0
133.76308	3.1
135.01111	7.2
135.08049	5.3
136.07591	5.8
137.09599	7.1
145.04965	5.5
145.10126	13.6
147.08052	5.4
147.11702	41.5
149.09633	7.4
152.03767	18.0
154.08606	10.5
156.09358	3.3
161.13335	3.9
163.03932	4.6
163.11191	23.0
165.09004	3.3
165.12752	6.8
171.11467	3.3
171.59610	3.4
173.12978	9.1
177.05511	4.2
189.12744	100.0
191.14320	42.0
203.14021	4.1
207.06509	7.8
207.13797	83.9
217.77086	3.1
225.14818	4.1
252.06970	33.8
404.11298	19.1
404.54596	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	404.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06600	0.6
52.54284	0.7
69.83976	3.3
84.08155	0.8
89.03913	6.2
91.05489	0.9
98.20854	1.5
108.99223	0.7
110.03513	2.0
117.03387	20.9
128.04576	1.8
134.03609	1.8
135.04414	2.8
145.02861	47.1
146.03120	0.8
147.04453	0.9
149.05981	6.2
153.04036	1.0
163.03928	14.7
177.05482	100.0
178.05849	1.3
206.18094	0.8
207.04924	0.9
339.08878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26119	0.6
58.03774	0.6
58.50700	0.6
67.36948	0.6
70.09709	1.9
84.04496	1.5
84.08124	0.8
86.09690	1.1
88.18929	0.6
89.03924	8.9
97.12383	0.6
101.02405	0.7
102.05540	0.6
117.03388	25.0
120.53959	0.8
134.03638	1.4
134.19209	0.7
135.04417	5.8
137.16541	0.7
145.02855	55.2
146.03116	0.6
149.05991	7.3
163.03920	23.4
177.05482	100.0
178.05792	1.2
207.05013	1.5
207.84647	0.6
217.05965	0.7
242.10489	0.9
256.72031	0.7
359.45987	0.7
405.13629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66440	0.5
56.57796	0.5
57.03435	0.5
61.02935	0.8
69.03428	1.9
70.06597	1.6
70.64324	1.4
72.08147	1.4
73.58620	0.4
77.03910	0.7
81.07069	0.5
84.08139	1.3
85.02912	6.4
86.09709	1.5
87.70988	0.5
89.03944	0.6
91.03949	0.6
91.05495	12.4
97.02895	2.4
98.82545	0.5
100.23228	0.6
102.67699	0.5
108.45660	0.5
109.02885	0.5
118.04153	1.2
119.04956	20.5
127.03890	0.8
145.04973	1.4
147.04434	18.7
149.02394	0.7
157.04004	1.2
163.03900	1.4
164.04700	1.6
175.03928	37.6
177.01851	0.6
179.07042	1.6
180.08694	2.1
192.04201	10.4
193.57753	0.6
207.06555	100.0
208.06807	0.7
225.07610	47.1
317.59149	0.5
362.05902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01866	1.8
55.05507	4.3
56.92096	1.3
57.03426	4.0
59.04988	4.8
59.97663	1.6
61.02919	6.1
65.03942	1.7
67.05513	8.7
69.03433	17.4
69.07068	13.9
70.06590	12.2
71.04993	7.5
71.52362	1.5
72.08141	5.2
73.02898	1.5
73.06562	8.7
79.05501	12.6
81.03419	8.4
81.07061	10.0
83.04971	2.9
84.04484	3.1
84.08139	7.4
85.02909	38.1
85.06553	9.7
86.09715	17.1
87.04482	2.3
91.03945	2.3
91.05488	12.7
92.31579	1.4
93.07036	21.2
95.04964	19.8
95.08627	13.6
97.02889	13.0
97.06528	20.4
98.06039	1.7
98.97543	2.4
99.04457	12.2
99.08092	5.6
103.05421	1.6
104.92295	1.4
105.07030	11.8
107.04952	2.2
107.08599	32.4
109.02895	7.2
109.06522	7.4
109.10142	13.5
110.07153	1.8
111.08086	18.6
113.09650	2.2
115.07605	1.7
117.07024	1.8
119.08584	7.2
120.08125	2.7
121.06518	5.8
121.10132	15.8
122.06795	1.5
123.08057	12.2
125.09627	36.0
127.03919	11.1
129.01848	4.9
129.09135	33.7
129.10168	3.6
131.08575	6.7
133.10147	25.0
135.08035	10.4
135.11693	2.4
136.07591	2.5
137.09618	5.1
139.11128	7.5
141.05528	2.5
145.04956	6.1
145.10135	3.2
147.04448	4.0
147.11682	4.9
149.06003	1.6
149.09613	5.3
149.13251	4.2
150.09152	1.8
151.11240	9.2
153.05463	2.1
153.09120	12.8
155.10721	3.4
157.01341	2.3
158.10960	3.4
159.06473	1.5
159.09103	1.6
163.11206	3.4
163.14833	5.0
165.12796	2.7
167.07057	2.2
167.10689	29.6
173.13275	19.6
181.04971	2.3
183.79259	1.4
185.11778	4.2
191.14311	22.9
196.99976	4.6
201.05479	2.2
205.12242	2.1
205.15927	2.2
209.15381	12.5
211.13284	1.8
218.43858	1.5
221.14624	1.5
223.13297	4.2
223.16934	7.9
241.14420	2.3
241.18034	2.0
254.08130	1.6
264.17261	1.4
265.09735	5.3
267.66336	1.6
288.38086	1.5
289.77646	1.6
293.09235	5.4
307.07150	1.7
325.11838	4.4
341.15753	3.5
357.14413	4.3
403.15723	100.0
403.23428	3.1
404.15897	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	403.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01862	3.3
55.05501	5.1
55.07631	2.0
56.05028	2.1
67.05500	5.3
69.03419	7.0
69.07052	6.6
69.18318	6.1
69.18740	16.2
70.06598	21.2
71.27258	1.8
72.08157	17.9
74.06061	2.7
79.05492	3.0
81.03414	3.0
81.07072	2.3
83.05006	10.8
84.04517	4.2
84.08139	9.9
85.02909	5.8
85.06533	4.1
86.09712	41.8
88.04002	3.4
91.05474	16.9
93.07052	62.2
94.06640	2.0
95.04985	6.5
95.08623	3.4
97.02888	4.5
97.06541	3.5
98.21571	3.0
99.04459	2.9
103.05466	2.9
105.07008	4.5
107.08569	4.4
109.06533	5.6
113.06008	2.1
116.25343	1.8
117.03385	6.5
119.04939	3.4
120.08070	2.7
121.06516	100.0
121.07394	4.9
121.10125	3.2
127.07565	10.5
128.56766	2.4
129.01831	6.4
129.10271	6.2
130.05000	3.0
131.08626	2.2
134.04509	3.1
135.04451	5.2
139.07587	3.7
145.02837	8.9
145.10077	2.5
147.04417	6.2
149.09602	5.6
151.04007	2.3
157.01328	3.2
159.11682	13.2
163.03891	15.6
163.11206	7.2
177.05487	13.5
177.12749	5.1
179.10709	2.2
181.04962	3.2
187.11143	4.7
201.12402	2.6
205.12257	65.8
223.13297	27.5
229.11862	4.1
241.14363	2.8
343.11499	2.7
371.13080	8.0
403.14862	6.4
403.19901	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	403.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01866	6.9
55.05508	23.9
57.03432	9.6
59.18096	3.6
59.98840	3.5
67.05505	54.1
69.03414	4.7
69.07060	16.4
71.05002	5.5
71.52315	4.4
71.52687	4.8
76.99728	9.6
79.05492	43.1
81.03400	9.1
81.07059	80.2
83.04977	7.2
83.08622	15.9
85.06547	4.8
85.09114	3.2
91.05484	62.6
93.07040	48.0
95.04961	13.5
95.08595	30.6
97.06515	5.3
97.10182	5.4
104.99216	4.0
105.07034	56.9
107.04967	9.8
107.08593	30.9
109.06517	14.6
109.10150	14.2
111.08096	5.0
117.07023	18.8
117.33619	3.6
119.07825	4.2
119.08595	44.4
121.06476	4.5
121.10126	22.5
123.08076	12.8
125.09684	6.1
129.01869	6.4
131.08572	29.5
133.10133	46.0
135.08093	6.9
135.11711	6.4
137.09622	6.7
143.08566	6.4
145.10144	22.0
147.08008	4.4
147.11693	25.2
149.09634	12.0
149.13280	4.8
151.07544	4.0
151.11177	4.5
155.08540	7.5
157.01312	4.2
157.10147	10.1
159.08119	5.0
159.11679	20.2
161.09642	5.0
161.13225	6.2
163.11185	7.0
165.12839	4.0
169.10159	5.1
171.11642	5.2
171.24005	3.6
173.09514	4.2
173.13266	9.4
175.11188	7.3
177.08945	3.9
185.13452	4.4
189.12839	5.6
193.12173	4.2
216.26360	3.3
229.19563	5.4
239.17990	7.6
247.20332	4.2
249.10629	10.2
250.17761	3.5
257.19046	13.5
273.18448	8.4
275.20068	100.0
276.20453	4.5
311.17676	7.2
322.55295	3.6
349.23737	12.3
361.14731	3.2
367.24719	4.9
385.21368	52.4
403.20132	17.3
403.25320	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	403.158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60091	0.3
55.05510	1.5
56.05020	0.5
67.05499	1.1
68.05028	0.4
68.82452	0.3
69.03419	1.5
69.07061	1.3
69.76194	0.6
69.76585	1.0
70.06594	3.8
71.04998	0.6
72.08148	1.4
73.06535	0.5
74.06064	0.4
79.05484	1.1
81.03408	0.9
81.07059	1.0
83.04984	0.5
83.08623	0.5
84.04496	1.1
84.08149	5.4
85.02915	3.5
85.06538	1.3
86.06057	0.6
86.09719	4.9
87.04469	0.4
87.58067	0.3
91.05470	1.3
93.07040	1.6
95.04967	1.6
95.08612	1.4
97.02895	1.0
97.06525	1.2
97.10188	0.9
98.21479	0.7
99.04455	1.6
99.08090	0.7
101.00863	0.3
102.05567	0.5
105.07044	1.5
106.04091	0.4
107.08607	1.9
109.02888	0.8
109.06499	0.7
109.10151	0.8
110.07157	1.6
111.08095	1.7
112.08710	0.5
114.05527	0.4
119.08551	1.0
120.08077	1.1
121.06492	0.5
121.10155	1.2
123.08057	1.6
125.09649	2.6
127.03918	1.4
129.01826	0.7
129.09123	2.3
129.10252	2.2
130.08630	0.5
131.08554	0.6
133.10139	2.1
135.08119	0.6
135.11687	0.3
136.07506	0.4
139.11195	0.7
145.04938	0.7
147.04364	0.6
147.11528	0.4
149.09651	0.4
151.11212	0.8
153.05455	0.6
153.09105	0.6
155.10693	0.6
161.02997	0.5
163.03938	0.4
163.11194	0.5
163.14784	0.5
167.10710	2.0
173.13257	1.2
179.10664	0.4
181.04944	0.7
185.04280	0.4
185.08136	0.4
185.11772	0.4
191.14297	1.2
205.12277	0.5
223.13319	1.1
223.16991	0.6
227.05330	0.4
231.12491	0.6
259.11621	1.6
283.15344	0.7
287.07346	0.5
293.09238	0.4
319.12421	0.6
327.13461	0.4
329.08395	0.4
341.15811	5.5
343.13577	1.6
385.14471	0.4
403.15744	100.0
404.16028	1.2
422.44910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
57.07078	1.5
57.13478	0.2
61.02905	0.2
65.03925	0.6
69.03421	0.2
69.07053	0.2
70.06597	0.3
71.43940	0.3
73.02948	0.2
75.21742	0.2
84.08159	0.2
85.02899	1.2
89.60979	0.2
97.02899	0.6
121.02879	2.6
121.03972	0.4
127.03960	0.2
145.04965	0.3
148.19850	0.2
149.02341	100.0
150.02675	0.9
167.03386	1.0
177.93919	0.2
180.08696	0.4
190.04942	0.5
196.08488	0.2
205.08588	3.5
223.09651	12.3
302.92514	0.2
343.09827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.05497	4.9
59.03876	1.6
61.57991	1.5
67.05496	4.1
69.03420	2.2
69.07077	13.5
69.84924	4.9
69.85339	2.8
70.06592	4.8
73.62579	1.5
79.05481	4.9
79.66647	1.4
81.07042	7.5
83.08630	2.5
84.08175	1.7
85.02901	4.2
86.09692	1.6
88.16649	1.4
89.21510	1.4
91.05505	10.1
93.07033	5.7
95.04950	2.6
95.08594	4.2
97.02888	1.9
99.23395	1.4
99.72439	1.7
105.07047	18.6
107.04934	1.6
107.08588	5.1
117.07030	6.1
119.04929	2.1
119.08592	50.4
120.08093	1.6
121.10101	3.3
123.37004	1.7
129.07027	4.5
131.08571	13.4
133.10143	36.3
135.08073	2.9
143.08571	10.9
144.09377	3.7
145.10101	10.7
147.04416	3.9
147.11659	5.9
150.37671	1.9
158.10922	9.6
173.13275	45.5
175.14842	100.0
191.14334	13.3
207.44481	1.6
216.04993	1.5
353.19696	2.8
402.27560	3.2
403.17606	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	402.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20217	2.7
67.72929	2.9
69.02019	3.3
69.03443	3.7
69.76645	2.9
70.02460	2.8
70.06588	4.4
71.51333	4.0
72.08125	3.3
73.02939	4.7
73.06562	8.2
85.02915	8.4
86.09706	5.1
105.07043	100.0
119.04948	5.7
122.09676	43.3
147.04416	15.1
163.03999	3.7
179.03354	3.7
194.02733	7.9
240.03342	5.7
324.98010	3.1
343.22336	3.1
403.12213	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01882	16.8
55.05273	4.2
55.05514	55.6
56.92107	3.1
57.03440	6.8
57.07062	12.7
59.05006	4.5
67.05186	3.7
67.05512	52.5
69.03413	11.5
69.07072	27.3
69.16641	19.3
69.17060	11.2
70.06584	5.7
71.04982	6.1
79.05502	51.6
81.03426	17.3
81.07059	79.0
83.04977	20.3
83.08623	38.6
85.06507	5.2
87.04441	3.0
91.05483	18.1
93.07047	37.2
95.04977	22.6
95.08613	22.4
97.06519	10.5
97.10178	64.1
98.09667	3.1
98.20739	5.8
99.08072	5.2
104.02587	3.3
104.10695	3.5
105.07037	24.0
107.04956	13.7
107.08601	38.1
109.06510	13.0
109.10152	16.8
110.43559	3.8
111.04452	17.3
111.08076	6.8
113.10732	3.1
116.05330	4.8
117.07012	12.7
119.08591	22.2
121.06544	9.0
121.10175	16.6
123.04500	3.4
123.08089	43.4
125.05981	4.3
125.09647	63.6
129.07013	4.0
131.08542	16.3
133.06525	4.2
133.10156	11.8
135.08054	13.4
135.11684	10.0
137.09613	12.2
139.11133	16.9
143.08580	7.1
143.10666	3.7
145.10133	15.3
147.04437	3.7
147.08035	9.2
147.11694	8.5
149.09644	8.5
149.13280	3.8
149.90495	3.0
153.09111	7.1
153.12729	5.6
156.13834	7.8
157.10138	4.8
159.11688	4.5
161.09578	8.5
161.13261	3.8
163.11198	19.6
165.09140	10.4
167.07140	5.1
170.78444	3.2
171.10185	6.9
171.11597	5.1
172.11580	5.7
173.48540	3.0
175.11137	6.9
177.12840	3.8
181.12212	9.8
184.09067	21.6
185.09581	6.8
185.13319	4.0
189.11229	68.7
189.12802	3.2
189.27113	3.3
191.10619	5.9
191.14342	4.5
193.12248	9.2
223.13319	3.8
227.12775	32.0
245.13863	19.3
249.14812	4.5
255.17427	3.6
273.18478	39.2
291.19562	100.0
301.15915	3.6
309.20807	23.5
314.13660	4.6
357.21063	4.1
365.23285	45.0
383.24353	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89519	1.6
53.03955	7.1
54.58199	1.6
55.01875	14.2
55.05513	27.4
57.03443	17.6
57.07058	2.4
59.05009	2.5
61.02923	1.6
65.03937	2.8
67.05509	38.9
69.03404	6.0
69.07069	37.4
70.06586	2.7
70.49204	3.1
71.04979	4.2
75.00025	4.4
79.05495	38.7
81.02998	2.3
81.03427	23.5
81.07061	66.2
83.04983	11.1
83.08613	10.4
84.08125	4.7
85.02926	9.3
85.06530	2.8
86.09698	1.6
88.97918	2.7
91.03949	3.7
91.05488	37.0
93.06495	2.4
93.07050	38.7
95.04980	12.0
95.08610	12.9
97.02866	4.4
97.06512	7.0
97.10168	12.5
99.04450	4.8
105.06403	2.5
105.07041	30.0
107.04958	7.0
107.08602	17.2
108.04736	1.5
109.06523	10.8
109.10159	18.0
111.04452	10.6
111.08064	6.9
115.05456	2.0
117.01034	4.5
117.07026	13.9
119.04950	83.5
119.05862	2.6
119.08590	35.2
121.06545	12.0
121.10162	15.9
123.08074	60.5
125.09619	12.6
129.05505	2.5
129.07016	7.8
131.08595	17.6
133.00526	9.2
133.06453	3.1
133.10126	8.7
135.08090	10.1
135.11667	4.8
137.09671	8.2
141.06934	2.2
143.08577	8.8
145.00481	4.5
145.06516	2.4
145.10132	15.4
147.08055	14.9
147.11671	5.9
149.09607	6.6
153.09135	3.6
153.12714	2.9
157.10143	6.0
159.08047	3.0
159.11691	6.4
161.09601	7.0
161.13213	2.4
163.11205	9.2
165.09126	2.1
171.10164	4.7
171.11682	4.6
173.07286	3.2
173.09624	2.9
173.13232	3.1
175.11183	3.0
177.12703	2.0
181.10168	2.2
181.12202	3.6
189.11191	9.8
189.12714	2.8
193.12253	3.2
197.07272	2.0
199.11172	2.3
205.12202	2.1
223.13246	6.0
227.12677	2.0
227.17883	3.8
245.19020	3.7
249.14912	5.1
255.17430	9.0
265.10638	2.5
273.18494	45.3
273.21295	3.3
291.19565	100.0
309.16162	5.7
327.17157	2.0
347.22208	2.0
365.23288	3.3
383.19833	4.3
401.06769	3.3
401.20874	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.8
55.01880	13.4
55.05273	2.6
55.05515	36.3
57.03451	22.2
57.07079	2.2
61.02937	3.6
65.03934	5.9
67.05185	3.3
67.05511	48.9
69.03419	5.8
69.07076	41.9
71.04984	8.4
75.00063	3.2
79.05499	53.0
81.03448	13.5
81.06597	4.3
81.07066	80.5
83.04994	13.0
83.08634	12.0
85.02899	11.6
86.09702	2.4
88.97948	3.4
91.03956	3.3
91.05483	39.2
93.07051	47.3
95.04974	24.8
95.08622	23.6
97.02884	7.5
97.06549	5.2
97.10188	12.7
99.04453	5.6
101.02454	2.2
105.07037	44.0
107.04967	11.7
107.08600	25.8
109.06540	12.5
109.10152	23.1
111.04441	11.1
111.08072	8.0
115.05516	2.7
116.09221	2.2
117.01088	5.0
117.07034	16.5
118.98970	2.5
119.04947	14.9
119.08588	48.5
121.06520	15.5
121.10154	26.8
123.04452	2.7
123.08076	66.1
123.11652	3.2
124.08366	2.3
125.05962	1.8
125.09629	14.1
129.07016	10.0
131.02611	3.7
131.08583	18.5
133.00497	7.9
133.06470	5.2
133.10135	12.2
135.08089	12.5
135.11682	8.3
137.05937	2.9
137.09602	11.8
139.03142	3.2
140.95511	2.5
142.07780	2.8
143.08557	13.3
145.00514	4.6
145.10143	25.8
147.08058	18.0
147.11670	6.0
149.09631	12.1
153.09157	5.3
153.12674	2.9
155.08463	2.8
157.10135	9.3
159.08028	2.6
159.11670	9.3
161.09612	9.6
161.13264	4.5
163.11226	12.4
163.12376	2.0
165.09146	5.3
165.12753	2.3
171.10164	7.4
171.11703	7.4
173.07307	3.3
173.09558	3.2
175.11263	5.2
177.09120	2.5
181.12189	2.4
185.09810	4.1
185.13251	5.0
187.11217	2.8
189.11174	10.9
191.10757	3.5
193.12282	3.1
195.11646	3.1
197.07321	5.3
199.14810	2.0
203.14552	3.0
203.17621	1.9
205.12219	3.0
215.80055	2.0
223.13272	8.5
227.17972	7.7
245.19000	4.2
249.14845	4.0
255.17436	8.2
261.07477	2.5
273.18539	61.5
279.38489	2.1
291.19565	100.0
309.16098	11.4
347.22256	3.7
401.20856	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
53.95304	4.3
55.01865	11.7
55.05515	30.7
57.03425	21.4
59.28645	5.0
62.86955	4.2
67.05506	45.4
68.83742	4.5
69.03433	5.8
69.07064	31.4
69.13522	5.3
70.06609	6.7
71.04974	9.2
71.53423	7.3
79.05495	48.6
81.03419	14.1
81.07062	69.4
83.04973	14.1
83.08610	13.4
85.02914	7.2
85.06523	4.5
88.07603	9.2
91.05490	40.4
93.07044	52.1
95.04980	17.9
95.08616	26.6
97.10152	8.0
99.04471	4.9
102.09161	5.8
105.07015	41.0
107.04937	14.8
107.08606	35.1
109.02869	10.9
109.06487	15.1
109.10155	19.1
111.04448	13.1
111.08059	14.1
117.06994	22.5
119.04934	6.3
119.08587	44.9
120.08163	5.2
121.06486	19.4
121.10153	27.3
123.04444	5.5
123.08075	56.1
125.69878	4.3
129.06996	7.2
131.08582	25.9
133.00534	11.3
133.10144	12.0
135.08023	8.2
137.09589	7.9
144.54828	4.6
145.00554	6.6
145.10106	15.2
147.08086	11.3
147.11687	6.9
149.09602	10.6
153.08995	5.9
154.08708	7.6
157.10167	9.6
159.11745	7.8
161.09598	7.9
163.11176	13.3
173.13280	4.8
175.11078	5.3
185.13234	6.1
189.11237	7.8
191.10684	4.8
223.13182	6.3
255.17506	9.8
256.26407	43.2
273.18439	46.2
273.77951	5.2
276.20404	6.0
291.19528	100.0
309.16226	11.2
401.20837	81.3
401.33658	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	401.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
52.13045	1.1
52.86245	0.9
53.03949	6.0
55.01633	1.4
55.01873	18.0
55.05513	43.8
57.03440	27.6
57.07063	1.7
59.04992	1.8
59.99004	0.9
62.15210	1.0
63.79046	0.9
65.03942	5.3
66.04680	0.9
67.05505	68.5
69.03423	5.5
69.07069	50.4
69.32867	8.9
71.04993	5.8
71.41506	1.0
75.00017	3.2
76.68954	1.0
76.97966	1.3
77.03915	1.1
79.05496	63.7
81.03420	16.9
81.07058	98.1
83.04570	1.3
83.04987	16.3
83.08140	1.7
83.08619	16.3
83.11646	1.0
85.02907	8.1
85.06548	2.1
88.97928	3.1
89.01587	2.1
90.99498	2.3
91.05481	46.9
93.07047	56.5
94.04193	2.5
95.04375	1.5
95.04972	25.0
95.08607	31.9
97.02874	2.2
97.06519	4.7
97.10170	17.4
99.04435	4.6
101.01583	1.2
103.05457	3.0
104.06224	1.1
105.04505	2.0
105.07030	49.4
105.17040	1.0
107.04961	13.3
107.08603	28.9
109.02895	1.4
109.06512	13.2
109.10156	24.7
111.04456	12.8
111.08083	10.6
113.01595	1.2
115.05456	4.4
116.06203	1.3
117.01020	6.6
117.07014	21.3
118.98940	1.2
119.04912	2.0
119.08585	47.9
121.06508	18.1
121.10143	30.2
123.08068	82.5
123.11677	1.8
125.06014	1.7
125.09644	14.1
128.06219	2.1
129.00992	1.7
129.07013	12.6
130.07813	1.9
131.02563	3.9
131.08578	26.7
132.05728	1.0
133.00520	12.0
133.06465	5.9
133.10126	12.1
135.08073	10.4
135.11711	8.9
136.70023	1.1
137.09612	13.3
139.03122	1.6
139.11124	1.3
142.07774	3.4
143.08574	11.3
143.10616	1.3
145.00513	5.5
145.04129	1.5
145.06442	1.7
145.10132	22.1
147.08044	20.1
147.11713	7.1
149.09610	17.0
151.11212	2.1
153.09050	5.3
153.12755	1.9
155.02480	1.2
155.06296	1.4
155.08553	2.3
157.10126	10.8
159.08054	4.2
159.11693	7.7
161.09595	11.3
161.13240	2.9
163.11191	13.6
165.09102	6.1
167.06151	1.3
169.10075	3.0
171.07980	2.0
171.10159	6.3
171.11684	8.4
173.07272	3.0
173.09625	4.0
173.13223	3.0
175.11125	6.4
175.14853	1.6
177.09203	1.3
177.12750	2.7
181.09995	1.7
181.12280	3.1
183.05739	2.2
183.11765	1.3
185.09615	1.1
185.13248	4.8
187.11160	2.6
189.11218	9.8
189.12813	2.6
191.10616	1.6
193.12178	2.6
195.11707	3.7
197.07312	5.6
199.11208	3.2
199.14819	1.4
201.06776	1.5
205.12167	2.3
209.13487	1.5
213.12784	1.5
213.16263	1.3
217.12263	1.0
223.13268	7.3
227.17984	5.7
231.13818	1.3
237.16493	2.5
245.18973	4.5
249.14825	5.3
255.17517	8.0
273.18488	54.7
281.16464	2.0
291.19534	100.0
292.19885	1.5
308.39322	1.2
309.16083	11.0
327.17191	2.4
347.22134	3.1
365.23837	1.2
383.19901	2.7
401.20871	84.8
402.21149	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	401.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.2
56.05033	0.3
66.04716	0.3
67.05524	0.2
69.03420	0.7
69.07065	0.3
69.85004	0.4
69.85411	0.6
70.06592	2.9
72.08157	1.1
81.03422	0.5
84.04503	0.5
84.08151	1.8
85.02888	0.6
86.09208	0.3
86.09704	3.0
91.05492	0.3
94.04185	0.5
97.02890	0.6
98.21516	0.2
99.04490	0.2
109.02867	0.3
109.06493	0.2
111.34130	0.2
112.08720	0.3
117.03395	0.2
120.08122	0.4
121.02905	0.2
122.03648	2.7
127.03910	0.2
129.10231	0.8
130.08688	0.4
133.02913	0.4
135.04382	0.2
137.05954	0.3
145.02843	0.6
147.11282	0.3
150.03101	1.2
160.01723	0.2
163.03896	1.8
165.05489	0.3
169.07562	0.3
177.05493	0.7
178.02629	5.6
179.03416	1.4
181.01407	1.0
181.04959	0.8
184.45662	0.2
194.02080	0.4
206.02116	36.3
207.02539	0.5
209.00822	10.6
209.04263	2.0
221.11858	0.2
223.02551	0.4
224.03171	19.3
225.03629	0.2
229.15486	0.2
239.05511	100.0
240.05896	0.9
244.65767	0.2
260.19586	0.3
276.29413	0.3
369.59552	0.2
401.07227	1.5
401.17871	1.0
401.28079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
55.05513	10.2
56.04112	1.4
57.03440	2.3
58.23506	1.5
65.03936	1.9
67.05186	2.0
67.05510	28.2
69.03420	4.4
69.07066	9.7
70.06591	2.0
70.16740	3.3
70.17121	2.8
71.04980	4.3
76.79573	1.6
79.05495	22.4
81.03418	7.1
81.06592	3.1
81.07060	58.2
83.04975	5.4
83.08614	6.8
85.02927	2.0
85.06533	2.5
91.05489	22.2
93.07034	14.9
95.04971	8.4
95.08606	16.7
97.06532	5.5
97.10165	4.5
105.07038	23.3
107.04947	7.0
107.08588	14.3
108.08916	2.3
109.06527	10.7
109.10150	9.7
117.07036	5.8
119.08590	18.9
121.06512	4.0
121.10159	12.7
123.08067	6.0
123.11698	9.0
126.08395	1.8
127.07526	2.4
129.07002	3.0
131.08563	9.2
133.10121	11.1
135.08034	5.8
135.11714	2.7
136.08405	1.7
137.09596	2.6
143.08594	2.5
145.10126	5.6
147.11702	28.0
149.09619	10.5
151.11243	2.0
157.10147	4.7
159.11719	4.4
161.09595	3.5
161.13235	2.2
163.11174	9.5
165.12781	13.1
169.10167	1.8
169.27115	1.6
171.11745	2.0
173.11746	2.1
173.13206	3.2
175.11259	1.8
183.11638	2.1
187.14864	1.8
193.12234	2.6
199.14807	2.0
201.10657	2.0
207.13818	2.4
221.42349	1.7
239.17981	2.6
247.20750	3.0
257.18976	9.5
275.20059	100.0
293.21240	12.9
365.19672	9.2
382.25699	1.6
400.19696	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	400.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
54.53003	0.9
55.01874	6.8
55.05499	1.2
56.05036	1.5
56.96555	1.7
57.03438	14.8
58.04888	1.0
59.04996	1.8
61.02927	12.1
65.16824	1.1
69.03434	34.2
69.85178	2.6
69.85583	1.5
70.06598	7.8
71.01363	2.4
71.04996	2.6
71.08627	3.4
72.08157	2.6
73.02921	58.5
81.03424	5.6
83.05019	1.2
84.04497	2.7
84.08160	5.4
85.02907	100.0
86.03230	1.2
86.09701	6.7
87.04466	4.6
91.03963	3.3
91.05466	1.6
97.02895	55.0
98.97591	3.0
99.04470	5.9
101.02417	1.7
102.05559	1.1
103.03951	3.3
104.10748	1.4
109.02879	10.0
111.04424	1.0
115.03937	24.6
116.98611	1.3
117.03378	1.0
120.08105	2.5
125.02305	1.1
127.03918	32.0
129.05498	2.1
129.10229	1.8
133.04970	37.9
134.05981	1.0
143.70840	0.8
145.04964	45.2
147.04413	1.1
150.07663	2.1
161.11609	0.9
163.03874	2.8
163.06020	28.8
163.07399	2.0
177.05492	2.2
178.04965	1.0
181.04987	1.6
193.05020	1.6
203.12715	0.9
217.07048	2.3
223.05998	8.4
241.07066	10.2
259.08148	30.0
277.09174	4.3
295.10242	19.8
303.43512	1.0
340.06927	1.5
358.08078	3.6
400.15155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
55.05318	1.3
55.05516	15.2
57.03422	2.6
57.07079	1.9
61.02913	1.4
67.05510	19.7
69.03421	1.8
69.07066	6.9
71.05000	2.1
71.52393	2.3
76.91426	1.4
79.05495	19.9
81.03412	4.8
81.07066	20.1
83.04970	5.0
83.08630	14.8
85.02901	1.6
91.05483	21.0
93.07053	20.3
95.04972	15.4
95.08605	13.6
97.02898	2.1
97.06528	6.1
97.10141	3.1
105.07031	19.6
105.35026	1.2
107.04969	5.1
107.08609	15.2
109.06510	5.0
109.10154	9.3
111.08089	4.5
115.18036	1.3
117.07024	7.6
119.08576	18.7
121.06505	4.3
121.10157	11.8
123.08044	3.1
123.11790	1.6
125.09634	4.8
129.06979	3.4
131.08604	12.5
133.10149	19.3
135.08044	3.5
135.11700	5.4
137.09615	4.5
143.08577	3.9
145.10136	17.7
147.07990	1.4
147.11661	12.0
149.09622	26.0
151.11188	3.8
157.10152	2.8
159.11685	11.9
161.09612	2.6
161.13287	2.4
163.11186	25.5
165.12746	4.4
167.10602	2.5
169.10083	3.0
171.11734	4.0
173.09641	3.3
173.13280	5.0
175.11200	4.6
177.12717	2.9
183.11720	3.7
189.11269	3.3
189.12816	1.9
195.13687	1.5
197.13298	4.1
213.16417	2.2
215.17917	2.0
223.13271	9.4
229.19513	4.0
239.17952	17.9
247.20647	2.6
256.01636	1.4
257.19006	20.6
275.20084	100.0
276.20605	1.8
293.21133	25.5
349.16959	2.2
374.23203	1.7
400.24933	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	400.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33254	1.5
52.46949	1.5
53.03945	6.8
55.01855	1.5
55.05516	2.3
59.04986	2.7
61.02924	4.4
61.72735	1.6
69.03435	11.6
70.06589	6.7
71.04999	4.0
71.08612	1.7
71.51865	1.9
72.08151	3.1
73.02920	3.0
81.03441	11.3
84.04497	2.6
84.08142	3.8
85.02912	75.7
86.09707	5.1
88.14388	1.7
91.05457	1.6
94.06551	2.1
97.02910	33.8
99.03845	3.2
99.04467	42.3
103.03951	88.1
109.02896	15.8
110.07208	2.3
119.04967	2.0
120.08118	2.2
127.03928	100.0
135.25670	1.9
145.04971	69.7
146.19215	1.8
147.04405	5.0
152.05707	8.8
163.03934	4.0
163.06024	60.9
187.06000	4.1
205.07077	4.4
238.14409	2.2
268.14005	4.3
271.08148	13.4
289.09143	11.3
307.10272	17.9
379.68301	1.8
401.10498	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36959	8.8
53.03922	12.4
54.08904	6.8
55.01864	32.0
55.05513	52.3
57.03451	36.3
57.07074	7.3
58.47556	6.8
59.04984	12.4
65.03933	8.9
67.05511	95.2
69.07065	26.3
70.06596	17.8
70.97432	16.1
71.08636	14.0
78.18023	7.3
79.05489	82.6
81.03416	20.9
81.07059	83.8
83.04969	43.0
83.08606	22.3
84.08163	11.1
85.02866	8.5
85.06577	16.9
91.05484	100.0
93.07047	66.4
95.04967	73.6
95.08606	63.5
97.02895	38.6
97.06501	10.1
97.10165	12.0
101.06011	16.4
102.29314	8.3
105.07034	76.1
107.04963	79.8
107.08595	31.8
109.06503	41.5
109.10180	38.9
111.04443	30.7
111.08071	9.5
113.05988	15.7
115.05458	12.9
117.07030	30.7
119.04935	12.0
119.08562	56.7
121.06500	26.5
121.10137	20.8
122.07276	33.4
123.04414	21.1
123.08064	18.6
125.05968	10.1
125.09637	14.2
127.95320	7.6
128.06291	12.0
129.05479	16.2
129.06964	13.6
131.08601	39.0
131.34792	7.0
133.06491	28.6
133.10146	38.9
135.08049	30.2
135.11697	20.2
136.06155	16.8
137.97958	7.0
141.06950	8.4
143.08543	18.1
145.06424	11.1
145.10127	29.1
147.08040	33.3
147.11760	10.5
149.09613	12.5
151.07527	12.1
152.96097	8.4
157.10117	12.2
157.46555	7.5
159.08034	10.3
159.11702	17.7
161.09660	37.2
162.10454	9.5
163.11162	14.8
165.09157	13.2
169.10077	9.3
171.11667	19.8
173.11801	11.4
173.13281	13.9
175.11139	9.1
185.13232	10.1
189.11163	10.5
197.13120	10.4
203.14407	8.8
215.07056	15.2
215.14380	9.3
233.15382	36.3
247.09630	10.3
250.09341	22.1
267.05029	7.7
273.18460	18.4
290.18680	17.2
302.71063	7.5
307.19006	52.8
335.18649	14.1
365.23477	8.3
381.22794	80.2
399.24289	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	399.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01870	25.8
55.05268	4.5
55.05513	56.0
55.54161	2.8
56.31104	2.9
57.03434	12.2
59.04996	5.9
65.03925	5.8
67.05506	49.4
69.03430	9.4
69.06734	4.0
69.07071	47.7
69.21871	4.1
69.22268	26.5
70.06582	6.4
71.04990	9.4
71.08627	4.0
79.05074	5.1
79.05497	68.8
81.03432	21.4
81.07056	69.6
83.04974	24.9
83.08614	31.4
84.41564	3.0
85.02881	4.4
91.05486	51.7
93.07040	49.3
95.04967	30.5
95.08612	25.0
97.02903	9.4
97.06532	16.1
97.10178	36.7
98.20775	5.8
99.00826	6.9
99.08092	3.7
100.83743	3.2
101.06001	3.9
105.07023	39.2
107.04961	32.2
107.08599	39.2
109.02880	13.5
109.06506	20.5
109.10149	25.9
111.04445	15.0
111.08070	10.7
115.05450	4.6
117.07024	22.5
119.04941	5.3
119.08575	33.3
121.06538	12.4
121.10155	12.1
122.07296	4.9
123.04435	16.0
123.08087	13.0
124.04107	3.2
125.09639	36.5
127.07581	4.5
129.05484	3.2
129.06992	8.8
129.10272	3.6
131.08571	18.7
133.06482	10.0
133.10110	21.8
135.08060	55.4
135.11682	10.1
136.06158	3.7
137.05972	4.6
137.09622	27.8
139.07550	27.2
143.08603	7.3
145.06488	11.3
145.10127	20.0
147.08049	12.5
147.11679	6.5
149.09624	6.6
151.07562	5.6
151.11082	3.9
153.09117	8.9
153.12727	5.4
155.08569	6.0
157.10153	5.9
159.08047	20.7
159.11725	10.6
161.09608	19.9
163.07545	33.8
163.11234	11.3
169.10132	4.8
171.10240	7.5
171.11612	5.1
173.09631	8.9
173.11726	3.7
175.11241	6.6
177.09154	5.2
179.10710	5.3
181.12245	4.3
187.11137	4.3
189.09724	4.3
189.11209	26.7
189.12737	4.6
191.10658	9.8
193.12234	70.7
211.11278	3.0
211.13258	5.5
227.12672	15.1
233.15385	5.7
243.17470	12.6
245.13870	3.9
249.14854	3.8
250.09464	5.9
261.18509	22.4
271.16980	26.7
283.15350	5.3
289.17981	93.3
303.04950	5.8
307.19028	35.7
363.21658	24.8
381.17758	5.9
381.22693	100.0
390.34225	3.1
399.24713	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	399.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01877	46.0
55.05512	29.2
56.05033	2.5
57.03442	48.9
57.07077	4.9
59.04992	2.2
61.02929	10.8
67.05180	3.7
67.05508	39.9
68.06270	2.3
69.03436	10.3
69.07080	28.6
70.06601	5.9
70.66460	3.9
70.66758	2.3
71.05000	6.0
71.08613	4.8
72.08165	2.4
73.02923	20.4
79.05495	23.9
81.03410	6.1
81.07066	35.0
83.04974	22.5
83.08638	10.1
84.04488	2.0
84.08128	3.7
85.02924	13.5
85.10189	2.1
86.06068	2.4
86.09705	2.7
87.04482	3.7
91.01447	2.2
91.03972	5.1
91.05493	21.8
93.07052	25.0
95.04961	15.1
95.08617	21.5
96.05749	5.6
96.08712	2.1
97.02898	16.9
97.06532	8.5
97.10158	16.3
98.72106	2.3
99.04512	3.1
99.08094	3.1
99.58938	1.9
101.06021	6.3
101.32798	2.0
102.05560	4.5
105.07040	13.1
107.04978	6.7
107.08602	21.4
109.02857	5.9
109.06531	14.9
109.10158	27.3
110.07225	3.0
111.04475	4.5
116.04719	34.2
116.98463	2.9
117.07022	4.3
119.08588	12.8
121.06455	2.7
121.10126	10.8
123.04398	6.3
123.08050	8.6
123.11736	4.0
125.09636	15.8
127.03955	2.3
129.04512	5.1
129.05486	100.0
129.06944	4.3
129.10202	2.2
131.00015	2.4
131.08562	8.0
133.10130	6.7
135.08115	4.8
135.11694	9.7
136.06200	10.0
137.05962	3.1
137.09633	28.5
138.10420	4.4
143.07037	22.1
143.08650	3.2
145.10132	9.2
147.06573	2.3
147.08012	5.8
147.11684	6.5
149.09625	5.5
151.11159	2.4
153.09149	3.9
155.10674	9.8
157.08617	49.3
157.09834	2.2
159.07884	3.0
159.11676	4.1
163.11194	4.4
171.10161	14.9
175.11232	4.7
181.12326	2.1
189.11215	10.7
193.12233	5.8
200.14040	10.5
221.11731	23.4
226.12057	2.4
229.14427	2.7
239.12828	8.3
250.09438	8.6
273.18549	4.0
291.19489	4.0
295.15359	7.3
298.09442	3.0
313.16324	3.5
365.23416	2.7
399.10544	3.3
399.19382	3.2
399.23877	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	399.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76339	3.9
53.03938	5.7
55.01856	11.4
55.05508	45.3
57.03424	12.0
57.07063	11.3
58.82087	3.9
59.04998	61.4
67.05505	56.8
68.53789	3.6
69.03422	9.4
69.07071	40.6
71.01305	3.8
71.04973	5.4
71.08604	8.8
71.52406	4.2
79.05500	47.9
81.03409	13.3
81.07056	62.6
83.04971	19.4
83.08624	25.7
85.02898	7.2
85.10195	5.2
91.05489	43.0
93.06573	4.5
93.07052	45.1
95.04980	26.4
95.08608	23.2
97.02885	8.5
97.06528	12.4
97.10176	31.9
99.04461	5.0
99.08085	4.7
101.06034	8.1
105.07040	37.8
106.17908	4.7
107.04926	16.0
107.08590	36.6
108.65197	4.0
109.02887	9.0
109.06506	18.1
109.10156	21.4
111.04424	16.4
111.08060	9.0
117.06979	14.4
119.04940	4.8
119.08598	31.6
121.06487	16.6
121.10123	14.7
123.04426	7.0
123.08054	11.1
123.11689	5.0
125.09645	21.1
127.03884	4.2
128.06238	4.8
129.05515	7.3
129.06975	9.0
131.08589	22.4
133.06516	10.2
133.10098	22.1
135.08028	30.7
135.11624	8.1
136.06131	8.8
137.05992	7.2
137.09618	17.6
139.07504	16.9
142.07784	5.8
143.08531	7.7
145.06503	9.8
145.10126	19.6
147.08041	11.9
147.11687	8.1
149.09602	10.2
151.07539	6.6
153.09111	10.6
153.12732	5.1
155.08569	4.7
157.10115	11.1
159.08080	19.1
159.11658	11.8
161.09604	16.9
163.07520	20.6
163.11177	13.1
169.10025	7.1
171.10223	5.6
171.11690	5.8
173.09634	8.6
175.11201	10.0
179.10611	5.9
185.13342	5.4
187.11244	6.3
189.11201	23.0
189.12692	5.7
191.10690	13.0
193.12271	49.6
195.11661	6.6
205.12204	5.4
207.13702	5.8
219.13846	4.8
227.12668	7.4
233.15210	5.9
243.17522	7.1
250.09360	12.6
261.18512	19.0
271.16833	19.0
275.20151	5.6
289.17917	55.0
307.19031	22.4
363.21494	24.9
381.22714	76.1
399.10730	14.0
399.25394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	24.9
69.03391	28.8
70.06593	66.7
71.51617	37.0
72.08167	41.5
74.00665	69.1
74.47404	31.1
84.04518	50.6
84.08125	76.6
85.02893	91.1
86.09705	41.2
89.03892	42.6
97.02896	57.0
97.69628	25.7
99.04453	26.7
103.03938	61.6
110.07166	31.3
117.03391	37.0
120.12972	21.9
127.03893	67.5
128.04265	47.3
139.49983	25.6
145.02843	69.5
145.04987	39.0
147.04384	96.6
157.02206	27.4
161.39842	27.8
163.03941	72.0
163.05988	68.3
177.05464	100.0
178.97211	27.3
229.13396	32.1
269.02548	34.5
295.45502	28.3
405.58502	28.4
422.45770	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	399.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.4
55.01875	20.9
55.05514	40.9
56.07220	1.3
56.96568	3.8
57.03439	18.6
57.07063	2.8
59.05006	3.3
61.02911	2.2
61.48375	1.1
62.31783	1.3
62.52822	1.3
65.03941	5.5
67.05509	40.4
69.03428	11.0
69.07071	23.3
69.60393	3.4
69.60802	4.6
71.04986	5.6
71.08617	1.8
73.02903	1.3
74.98048	1.3
75.00021	2.2
79.05497	52.5
81.03432	6.4
81.07063	55.3
83.04977	9.9
83.08618	14.5
85.02916	3.7
85.06543	2.1
89.01586	3.9
91.05481	39.0
91.06025	2.9
93.07045	44.0
95.04973	28.0
95.08614	19.6
97.02925	7.0
97.06524	4.5
97.10174	14.7
101.01598	1.9
102.99500	2.4
103.05459	3.3
105.04522	2.0
105.06400	2.6
105.07044	29.1
107.04956	14.9
107.08596	37.0
109.02888	4.6
109.06531	11.1
109.10159	15.3
111.04449	3.3
111.08106	5.9
113.30598	1.3
115.03223	1.6
115.05448	4.3
117.01077	2.8
117.07013	19.7
119.04942	2.2
119.08586	30.9
121.06519	14.6
121.10155	8.3
123.04424	3.0
123.08073	8.8
125.09644	13.8
128.06223	3.4
129.01025	7.3
129.05499	2.2
129.07004	5.9
130.98946	7.8
131.08577	13.2
131.44652	1.2
133.06519	3.8
133.10126	14.3
135.04478	1.5
135.08063	46.8
135.11671	3.7
137.05983	1.8
137.09624	13.9
139.03087	1.6
139.11191	1.4
141.01027	3.9
141.07008	2.7
142.07732	1.4
143.02606	2.4
143.08615	8.4
145.06483	8.1
145.10141	11.2
147.08041	7.9
147.11710	5.8
149.09644	6.9
151.07506	2.1
151.11253	2.7
153.04622	2.0
153.09094	4.0
155.02596	1.8
155.06165	1.7
155.08572	3.1
157.04105	1.4
157.10057	6.3
159.08081	7.5
159.11716	5.7
161.09668	12.1
161.13237	2.2
163.07550	27.0
163.11234	6.4
165.09155	3.1
167.10684	3.1
169.10159	4.2
171.05736	12.0
171.08003	1.6
171.10159	3.4
171.11673	2.3
173.09613	6.1
173.13251	2.0
175.11226	4.1
175.14880	1.4
179.10695	4.3
179.14139	1.6
183.11710	4.7
185.13245	2.6
187.11195	3.9
189.06746	1.9
189.09163	2.4
189.11227	8.3
189.12675	1.8
191.10605	1.7
193.12256	2.1
194.12611	1.4
199.05186	12.6
203.10608	2.4
203.12384	1.4
205.12268	1.6
210.08051	1.8
211.08975	2.4
211.13150	1.7
211.14957	1.7
213.57411	1.4
215.16383	2.7
221.11755	6.4
225.16438	3.5
235.20564	1.4
242.83574	1.3
243.17520	9.6
253.16019	3.1
254.77960	1.5
257.09512	2.1
261.18427	7.5
267.09073	3.9
268.09351	2.1
271.16959	15.3
275.20029	3.1
279.15176	8.3
281.08777	1.3
285.10144	6.4
286.10535	3.2
289.18005	26.7
307.14691	5.4
308.11401	2.5
325.15668	6.0
331.15851	2.0
332.16171	1.3
349.16940	7.8
350.17276	7.0
363.21719	5.3
399.19315	100.0
399.24460	26.6
400.19687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.06505	1.8
57.03432	2.0
69.03439	12.0
70.06584	2.0
70.56072	1.6
70.56423	4.9
80.80918	1.7
81.03438	11.5
85.02915	73.2
86.43691	1.7
94.57152	1.5
97.02890	18.0
99.03848	2.7
99.04463	35.2
103.03953	98.7
109.02881	12.7
126.79910	1.6
127.03931	100.0
145.04974	64.7
163.06038	56.2
187.06055	5.3
205.07152	2.9
271.08093	7.7
289.09317	4.8
307.10226	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	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	16.5
58.58013	13.0
62.06087	19.0
64.47705	12.3
69.03403	15.0
69.97217	53.9
70.06596	44.9
72.08150	30.8
73.02907	11.0
74.06055	13.7
81.03425	23.7
84.08140	33.7
85.02904	80.5
86.09708	21.6
91.05506	22.0
97.02880	32.6
98.97552	15.5
99.04448	15.5
103.03937	44.4
109.02879	34.1
110.07174	21.9
116.07085	16.7
117.03407	15.1
119.04982	18.8
127.03910	100.0
127.93852	11.7
128.04311	34.0
135.04417	16.0
136.07533	18.2
144.25917	13.1
145.02866	34.8
145.04964	37.4
146.05247	20.7
147.04402	71.0
163.03958	58.7
163.06007	34.6
177.05519	40.6
183.10141	14.7
190.90086	12.5
212.51903	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	397.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.05501	5.8
56.96555	3.0
57.03433	1.9
58.00024	1.6
61.02920	2.4
69.03416	7.8
70.06583	8.9
70.48717	3.2
71.04986	7.3
72.08177	3.2
73.02935	2.9
81.03421	16.7
84.04497	2.1
84.08135	7.1
85.02907	70.5
86.03180	2.3
86.09702	3.4
87.00816	3.0
91.05461	2.5
91.07619	4.7
95.04974	1.6
95.08600	4.2
97.02885	22.3
97.28094	1.8
98.97553	2.5
99.04455	35.3
101.06046	3.3
103.03949	81.6
109.02890	26.8
113.09633	2.2
116.07137	1.8
119.04976	2.4
120.08093	3.3
127.03921	100.0
128.04210	2.4
136.06200	5.9
136.49487	1.7
145.02846	2.0
145.03928	3.1
145.04967	43.1
147.04408	4.8
148.78267	1.8
163.03918	3.4
163.06030	33.7
163.07379	2.5
181.08601	3.9
187.05957	5.1
205.07137	3.0
208.95120	1.9
213.12291	2.3
246.52597	2.3
259.11813	4.9
271.08182	3.8
276.53104	1.8
289.09003	2.0
307.10184	4.2
353.08221	3.7
397.07065	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	398.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33955	2.6
53.03934	7.0
64.92655	2.8
69.03421	10.7
70.22923	2.3
71.04946	2.9
73.02905	5.5
80.31101	2.7
81.03424	14.0
84.08194	2.6
85.02912	55.7
86.09712	3.0
97.02899	40.0
99.04459	35.1
103.03941	64.1
105.07018	5.6
109.02882	21.7
122.09650	3.9
127.03918	100.0
128.73111	2.1
145.04961	67.7
147.04404	10.3
163.05991	41.0
188.07089	5.0
258.25589	2.4
264.91901	2.9
271.08154	15.7
289.09113	13.7
298.52777	2.4
307.10248	10.3
398.11273	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.05511	4.1
57.07076	9.0
66.70580	2.3
67.05510	15.8
69.03419	13.9
69.07072	3.3
70.06582	12.4
70.58296	2.4
71.51872	4.1
72.08159	5.5
73.06573	2.2
73.13332	2.3
78.91374	3.1
79.05489	3.0
81.03416	8.8
81.07062	9.1
84.04507	3.4
84.08156	8.4
85.02911	73.9
85.06549	31.2
86.09710	7.3
91.05480	3.7
93.07055	4.0
95.08606	39.1
97.02897	18.3
99.04460	36.7
99.08092	5.3
101.00869	2.5
103.03942	100.0
105.07053	3.3
107.08585	5.0
109.02858	16.4
110.07056	2.7
113.05999	6.6
115.54506	2.6
119.01933	3.9
119.08588	10.0
123.08070	19.1
123.11788	3.5
125.09583	2.7
127.02974	5.0
127.03918	96.0
129.10278	6.4
131.76140	2.3
133.28293	2.4
135.11703	5.3
137.13268	9.5
143.01884	4.7
145.03696	3.6
145.04956	66.4
147.04414	5.3
147.11699	8.8
149.09602	16.4
151.07504	2.9
155.14336	16.7
159.10138	3.0
161.02931	6.2
161.13255	7.2
163.06018	83.2
173.15424	9.7
187.06056	7.4
189.12770	11.2
191.16435	32.7
205.07092	3.9
207.13805	35.4
249.13205	2.5
251.07521	5.0
267.14240	2.9
271.08124	7.5
289.09271	13.0
289.12967	7.3
307.10245	45.0
307.13904	18.8
317.15961	5.6
349.15051	11.9
409.17432	11.6
410.17355	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.05511	5.6
60.36157	2.1
61.02914	2.6
63.79914	2.2
69.03436	10.6
70.06586	7.3
70.89890	4.9
70.90225	3.2
71.04975	6.2
72.08155	3.5
73.02900	3.2
73.06561	2.7
79.44960	2.2
81.03409	15.4
84.04504	3.2
84.08122	16.6
85.02911	61.9
86.09696	2.8
91.07573	2.8
93.84801	2.1
95.08617	5.4
97.02889	17.0
98.20889	2.8
99.04467	34.1
101.05936	2.4
103.03941	69.7
103.12905	2.4
106.70306	2.4
109.02885	26.8
110.07128	3.6
113.90505	2.3
119.04941	2.7
127.03920	100.0
129.10243	5.1
136.06049	2.1
145.04955	42.3
147.04411	3.6
159.04407	2.9
163.03931	4.3
163.06032	32.2
186.66902	2.5
187.06044	5.3
205.06967	3.4
222.84888	2.2
243.39966	2.1
244.59618	2.1
253.07304	2.6
253.09807	2.6
259.11722	5.0
271.08014	6.7
289.08850	2.5
307.10052	5.9
397.07254	9.5
397.35977	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.165
Annotation	Predurallone
Peak:m/z	Relative Intensity
54.38828	0.5
55.01869	0.6
55.05506	0.9
65.35339	0.5
67.05499	1.4
69.03432	0.8
69.07077	0.7
70.06592	1.4
70.36017	1.6
70.36358	0.7
71.08620	0.6
72.08157	1.1
76.78967	0.5
79.05499	1.4
81.03437	0.9
81.07059	2.3
83.04986	0.6
84.08145	1.1
84.22784	0.5
85.02905	1.1
86.09705	1.0
87.82432	0.6
91.05502	2.8
93.07042	1.4
94.04208	1.5
95.04979	0.9
95.08601	0.8
97.02942	0.7
103.05456	1.6
105.07056	2.2
107.04951	1.1
107.08604	1.2
109.02873	0.7
109.06480	1.7
109.10169	0.9
111.04266	1.0
115.05466	1.4
117.07102	0.6
118.25192	0.7
119.04959	1.3
119.08580	0.9
121.10121	0.6
122.03633	3.8
123.08013	0.7
128.06224	1.6
129.06999	2.4
131.04982	0.8
131.08565	1.8
133.06462	0.8
133.10117	1.1
135.11670	0.7
137.05994	48.8
139.07599	0.6
141.06996	1.2
142.07809	1.6
143.08577	1.7
144.05737	0.7
145.10239	0.7
147.04448	1.4
147.08043	1.0
147.11714	0.6
149.06012	1.6
151.03972	1.4
151.07562	2.7
152.06149	1.1
153.06941	1.0
154.07776	1.0
155.08594	4.3
157.06517	1.2
157.10184	1.4
159.08087	2.5
161.06006	2.9
161.09586	1.1
163.07632	0.8
163.11102	0.7
165.07008	1.2
167.08553	1.9
169.10117	0.7
170.07326	1.1
171.08078	2.8
174.06750	0.6
175.07613	1.1
175.14833	0.7
177.05444	1.2
181.06537	1.2
182.07321	2.0
183.08052	3.0
184.08797	1.2
185.06094	0.6
185.09624	1.7
186.06831	1.1
187.07556	1.9
187.11153	0.7
189.09119	1.2
195.08020	1.7
196.08861	0.7
197.06007	1.5
197.09697	1.8
198.06728	1.2
199.07593	2.0
200.08386	1.2
201.09099	1.8
201.12491	4.9
202.07848	1.5
203.08702	1.3
203.10568	1.1
210.06804	0.9
211.07587	1.5
212.08307	1.4
213.09128	5.4
215.08612	1.5
215.10730	1.9
217.10251	2.9
219.07927	1.0
224.08302	0.8
225.09113	5.3
226.09892	0.6
227.10670	1.8
228.09398	1.0
229.10266	2.7
231.08066	1.8
231.10262	3.0
232.08905	1.3
233.09685	1.0
235.16925	0.7
237.09201	1.1
239.08606	0.6
241.10295	1.1
243.10237	2.6
244.08832	1.0
245.09639	5.9
245.11743	0.7
246.10399	1.9
247.07565	1.1
247.11095	1.9
248.11729	0.7
249.08954	0.7
255.10295	1.6
257.09628	4.4
258.10403	2.1
259.07709	0.8
259.11292	1.6
259.16666	3.4
260.08456	1.1
260.17535	0.8
261.09167	1.9
261.18246	0.8
262.09937	0.9
263.10721	0.9
269.09628	1.4
271.07578	1.8
272.08246	0.7
273.09021	2.2
273.11514	5.1
274.09906	2.9
275.07123	0.6
275.10687	1.7
277.03470	0.6
277.09158	1.0
277.12241	3.4
279.06570	0.6
279.13818	1.2
284.61493	0.6
285.09088	4.0
286.09930	2.4
287.10675	1.2
289.08942	1.1
289.12259	2.8
290.09445	1.8
291.10239	1.6
291.13910	0.8
293.11862	1.6
297.08966	1.2
301.08691	1.2
302.09454	1.9
303.10165	3.0
304.10901	1.2
305.08441	0.9
305.11578	2.7
306.08997	1.0
306.12341	0.9
307.09720	1.7
307.13382	1.8
308.10583	1.4
309.11554	0.8
309.14804	2.7
315.10135	0.9
316.10800	0.9
317.11734	4.9
318.09100	0.9
318.12567	1.2
319.09583	1.7
319.13144	1.2
320.10464	1.7
321.11246	3.0
321.14624	1.1
322.11960	0.7
329.11847	1.1
331.09637	1.7
331.13226	0.7
333.11237	2.2
334.11853	1.1
335.12738	3.9
336.13644	0.8
337.14365	1.1
339.15857	1.3
347.12695	1.5
349.14404	3.5
351.12280	1.4
352.12845	0.7
354.14734	1.8
361.14258	2.3
367.15472	5.6
379.15430	22.2
380.15823	1.0
385.11493	0.6
397.16522	100.0
398.16754	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1648
Annotation	Ixerochinolide
Peak:m/z	Relative Intensity
51.02365	0.5
53.03936	1.3
55.01870	1.0
55.05517	1.0
57.03435	0.6
60.52431	0.5
60.92627	0.5
63.48082	0.5
65.03936	0.6
67.05499	2.1
69.03431	1.9
69.07075	1.6
70.06580	0.5
70.42785	1.6
79.05483	2.8
81.03418	0.6
81.07080	2.4
83.05000	0.5
83.08658	0.5
91.05489	5.0
93.07043	4.1
95.04964	2.6
95.08611	1.4
97.02886	0.6
97.06551	1.0
98.97581	0.7
102.83834	0.6
103.05468	1.5
105.07036	5.7
107.04962	100.0
107.08598	3.0
108.05302	0.6
109.06526	1.8
109.10183	0.7
115.05450	1.7
117.07026	5.9
119.04960	1.0
119.08593	3.0
121.06522	3.0
121.10168	1.1
123.04443	1.8
123.08066	0.7
127.03788	0.4
128.06230	3.3
129.07013	10.1
130.06543	0.6
130.07774	0.6
131.04973	1.1
131.08585	6.1
132.05737	0.6
133.06511	2.1
133.10153	2.1
135.04430	0.6
135.08073	1.1
137.06001	5.3
141.07010	2.0
142.07793	3.8
143.08585	7.6
144.08064	1.2
145.06509	2.6
145.10114	2.9
147.08072	2.3
147.11623	0.5
149.05977	2.0
149.09613	3.7
151.03882	0.7
151.07533	0.6
153.07002	1.4
155.08545	3.6
156.09370	4.2
157.06517	4.0
157.07646	1.6
157.10127	5.8
158.07312	0.7
159.08038	2.6
159.11740	1.3
160.08803	0.8
161.06010	1.3
161.09663	0.9
163.07634	1.1
165.05511	0.6
165.07019	1.8
166.07805	2.9
167.96231	0.5
168.09312	0.8
169.06491	1.1
169.10135	0.6
170.07288	0.8
171.08037	2.7
171.11691	11.5
173.09631	3.3
173.13235	0.8
175.07556	2.0
175.11201	0.9
177.09076	0.9
181.10133	5.6
182.48477	0.6
183.08099	1.6
183.11758	0.9
184.08846	1.8
185.09666	2.5
187.07526	0.6
195.08124	0.8
199.11208	19.7
201.09082	1.0
203.07088	0.8
203.10664	2.9
209.09558	2.4
211.07567	0.6
217.09920	1.4
217.12291	5.4
227.10677	6.8
240.35320	0.5
245.11736	21.4
255.17941	0.5
263.12909	1.9
266.11792	0.6
273.15332	2.5
273.65515	0.6
283.13257	3.8
297.12964	0.5
305.15311	0.7
315.13696	0.8
333.14862	7.7
338.89130	0.6
351.15936	8.1
379.15546	1.5
397.17090	4.7
397.21954	0.9
397.27689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01871	0.4
57.03425	0.6
59.09834	0.2
61.02937	0.4
65.03943	2.5
67.05521	0.3
69.03436	5.8
69.44404	1.9
70.06587	0.5
71.04996	1.8
79.05506	0.4
81.03423	9.7
81.07051	0.4
84.08165	0.4
85.02909	16.1
86.09718	0.4
86.36377	0.3
91.05485	100.0
92.05820	0.9
93.07021	0.3
95.08588	0.4
97.02900	1.8
98.20771	0.5
99.04459	8.8
103.03947	14.4
105.07034	2.5
107.08616	0.3
109.02882	8.0
117.07019	0.3
119.04989	0.3
119.08582	0.3
125.05981	0.2
127.03921	28.4
128.06204	0.5
129.07016	1.8
131.04918	0.3
131.08536	0.4
133.06454	0.6
136.07590	1.3
137.05983	3.2
143.08580	1.0
145.04982	3.3
145.06375	0.6
147.04460	0.7
147.11676	0.3
153.07027	0.4
157.06525	0.7
161.05983	0.3
163.06042	0.4
164.07083	2.4
171.08096	0.8
175.07622	0.8
185.09621	0.5
187.06049	4.0
187.07561	0.5
193.08661	0.3
196.09735	1.7
197.09607	0.3
198.06876	0.4
199.07509	2.6
205.07132	0.4
213.09175	0.5
217.08652	2.4
217.12192	0.6
219.73630	0.3
225.09177	0.4
233.30882	0.3
235.13422	0.9
243.10229	0.3
253.07155	1.2
271.08179	0.6
273.11273	2.1
274.92148	0.3
307.09506	0.3
354.14447	0.3
361.13202	0.4
379.15317	0.5
397.16461	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	396.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05515	0.6
57.07067	1.6
65.03938	2.1
67.04816	0.3
67.05512	1.9
69.03448	0.5
69.07072	2.1
71.02184	0.7
71.05000	0.4
71.08635	2.4
79.05492	2.0
81.07063	3.9
83.08612	0.7
85.06526	0.8
89.06030	0.3
91.05482	100.0
92.05853	0.5
93.07044	3.1
95.04964	4.3
95.08604	3.6
97.06545	1.0
97.10184	0.5
99.08092	1.2
103.54185	0.3
105.07028	2.1
106.06561	13.4
106.71280	0.4
107.08590	2.5
108.08122	17.9
109.06519	5.8
109.10168	1.0
117.07043	1.1
119.08587	1.4
121.06550	1.1
121.10157	1.2
123.08048	0.5
129.07037	1.0
131.08586	1.6
133.10165	1.7
135.08041	0.9
137.09596	0.8
141.06952	0.7
143.08604	0.9
145.10139	1.4
147.08255	0.4
147.11694	1.0
149.13278	0.4
155.08543	0.4
157.10205	0.5
159.11751	1.1
163.11189	0.9
163.14894	0.6
165.12759	26.0
169.10176	0.6
171.11694	0.6
173.13283	1.6
175.11266	0.8
176.10770	1.2
177.12819	0.4
177.25725	0.3
179.14320	0.4
183.11772	0.6
187.01450	0.4
187.14888	0.4
190.12289	0.9
191.14339	2.6
197.13193	0.5
201.12787	1.0
204.13754	0.4
229.19633	0.6
244.16919	2.0
250.17909	0.4
261.22266	0.5
271.20538	2.1
274.18018	0.5
281.18988	0.4
282.18365	1.6
289.21664	3.1
298.21622	6.2
328.22864	0.5
363.58426	0.4
378.27896	1.3
379.26102	0.5
396.29019	19.7
396.42035	0.7
397.29343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01873	10.2
57.03431	8.1
61.02917	6.1
62.87450	2.3
69.03092	2.7
69.03434	38.3
69.68307	11.5
70.06583	6.8
71.04991	4.5
72.08148	5.0
73.02908	7.5
74.06097	3.6
80.20694	1.9
81.03423	29.6
81.07069	2.8
84.04485	4.1
84.08142	5.3
85.02912	100.0
86.09711	5.2
87.00838	45.4
87.04489	2.8
88.06066	1.9
90.05563	12.0
91.03928	2.3
91.05433	3.0
97.02902	44.1
98.21529	2.1
99.04465	18.1
105.01877	73.2
109.02885	34.4
109.06514	3.5
110.07182	2.5
115.03979	2.8
117.01900	4.0
119.04944	2.3
120.08115	6.9
127.03929	90.9
129.01857	2.4
131.07045	8.3
136.06204	4.1
136.07611	4.8
140.07040	3.0
145.04980	55.8
147.02853	2.9
147.04391	6.7
159.02870	24.4
163.03946	2.4
166.08656	4.4
184.32962	2.3
213.03955	6.7
216.12410	2.6
230.56876	2.0
231.05013	37.1
231.09793	3.1
234.13361	17.1
240.52733	2.1
249.06111	12.2
251.84024	2.5
361.11005	2.8
362.13834	2.0
397.07535	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	395.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.01869	2.8
55.05268	1.8
55.05508	7.7
57.03444	2.3
58.21059	1.6
61.02935	2.4
67.05496	2.8
69.03437	13.0
69.07074	100.0
69.25771	13.7
70.06590	18.3
71.04999	2.6
72.08153	4.4
73.02906	1.6
73.06573	1.5
79.05518	1.7
81.03410	8.0
81.07078	2.7
84.04507	2.3
84.08140	10.9
85.02914	31.3
85.36272	1.5
86.09729	10.1
87.00839	20.3
89.48257	2.1
91.05479	2.8
91.37148	1.7
93.07022	1.8
95.04977	2.5
95.08617	1.8
97.02899	11.8
98.21506	3.7
99.04468	4.3
105.01871	19.1
105.07032	2.4
109.02895	9.8
110.07180	16.7
110.44197	1.7
111.07519	3.4
111.11729	40.4
117.07033	2.1
120.08102	6.8
121.06608	1.8
123.82323	1.6
127.03920	18.8
129.10268	3.5
129.12762	51.4
129.18837	1.7
135.08017	1.6
136.07561	1.9
143.08188	3.4
145.04964	7.3
147.13832	6.7
156.07710	5.0
159.02951	2.4
231.05014	5.9
280.66748	1.7
310.50885	1.5
323.14810	2.7
375.36844	2.0
395.21252	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	395.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
71.23415	0.7
78.95627	0.5
79.05486	1.0
84.08142	0.5
89.03909	3.1
107.04940	1.6
109.34795	0.4
117.03377	4.9
135.04417	8.6
145.02853	7.9
163.03915	37.0
180.89395	0.9
185.02106	15.8
203.03178	0.6
210.15260	0.5
213.82021	0.5
215.01669	3.2
215.03387	0.6
224.38467	0.5
233.02682	100.0
234.02985	0.7
292.74838	0.5
304.46420	0.5
315.54388	0.5
377.04886	3.7
395.05862	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	6.5
60.69954	1.4
70.06588	2.3
71.50957	2.3
72.08154	1.8
74.82941	1.5
80.35963	1.8
82.66152	1.4
84.08187	1.6
89.03935	4.7
95.05074	1.5
98.97597	5.6
111.60133	1.7
117.03413	5.7
135.04433	10.0
136.07582	2.1
145.02814	9.0
147.04456	6.7
163.03926	43.1
168.67798	1.7
185.02104	12.4
215.01646	4.5
221.02991	4.0
225.93134	1.6
233.02698	100.0
239.02290	5.0
241.76563	1.6
257.03647	2.1
377.04272	2.5
395.05945	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	395.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97457	22.6
56.96554	100.0
57.26867	20.0
57.28473	18.5
59.36200	20.4
70.69305	76.4
71.54166	21.8
72.08100	19.6
76.83201	27.1
80.77384	24.7
84.96045	23.0
86.69138	20.4
98.97573	59.5
110.31477	23.2
119.04908	26.7
120.08134	21.0
133.50272	22.8
136.07599	23.5
147.04375	35.5
163.84979	21.7
221.01271	40.6
233.02701	28.7
239.02234	95.9
257.03336	43.0
263.02203	37.9
278.22458	25.5
281.03232	32.8
395.03665	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94370	2.0
55.05504	2.0
57.07080	100.0
61.07121	2.1
66.51865	1.8
69.07057	7.4
71.08636	84.6
71.50220	1.7
83.08630	3.0
85.10188	55.0
87.04467	2.8
89.06039	81.7
98.21523	4.3
99.11729	8.2
107.07070	8.0
111.11745	2.2
113.13290	5.5
117.80841	2.0
125.00410	1.8
127.14843	5.1
133.08609	39.3
151.09659	5.1
177.11250	14.3
189.91780	1.8
195.12299	99.2
215.78157	1.8
229.12148	1.9
271.26312	1.9
327.98276	1.9
337.54800	2.3
377.32642	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
53.39751	1.8
55.05503	7.5
57.03444	2.5
61.02906	2.1
67.05502	15.5
69.03418	4.2
69.07055	7.3
70.06587	6.2
70.07694	1.9
70.08035	8.7
72.08167	2.0
73.23641	2.1
77.10381	1.9
77.24035	1.9
79.05490	5.6
81.03376	2.1
81.06596	2.9
81.07061	57.7
81.75126	2.6
83.04988	2.8
83.08609	6.9
84.08125	6.5
85.02910	15.9
86.09711	4.3
91.05470	10.5
93.07044	8.8
95.04995	3.9
95.08604	19.1
97.02879	4.5
97.06552	3.4
100.54527	2.3
105.07063	19.0
106.97845	2.2
107.08595	8.7
109.02844	2.9
109.06554	3.2
117.07021	2.6
117.65842	2.2
119.08586	13.9
120.08134	2.9
121.10164	20.5
123.08141	2.6
123.11712	100.0
127.03876	3.7
127.30271	1.9
137.13312	9.6
140.90898	1.7
145.04939	2.3
147.11693	55.8
165.11412	4.3
165.12759	66.0
183.13809	13.5
188.06903	2.0
197.13690	2.3
197.15370	18.4
212.09222	1.9
215.16418	16.7
240.20244	2.0
294.36270	2.1
394.19064	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	393.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01867	1.2
55.05513	3.9
57.07091	3.0
59.04987	0.8
64.96108	0.4
66.17594	0.4
67.05508	5.7
67.90958	0.4
68.62784	0.4
69.07072	14.0
71.04977	1.5
78.65701	0.4
79.05495	5.2
81.07061	9.2
81.51188	0.4
81.80847	0.4
83.04986	1.4
83.08617	1.9
85.06538	2.4
87.08113	0.5
89.06055	0.5
91.05484	5.6
93.07047	13.6
95.04981	0.5
95.08603	6.3
97.06528	2.3
97.10165	0.5
98.21640	0.9
99.08086	0.7
101.09663	7.0
105.07033	4.3
107.08597	14.2
109.06521	5.6
109.10177	2.3
111.08121	2.6
117.06997	0.9
119.08598	4.4
121.06474	0.9
121.10149	6.9
123.08072	4.6
123.11731	1.1
125.09624	1.7
131.08565	1.8
133.10141	2.9
135.08061	31.1
135.11681	3.3
137.05980	2.0
137.09616	0.6
137.13248	0.5
139.07552	3.7
139.11115	0.5
143.08533	1.3
145.10127	2.1
145.42752	0.4
147.11690	4.8
149.09630	4.2
149.13284	2.7
150.06799	0.6
151.11150	0.7
152.08350	1.8
153.09128	0.6
157.10187	0.8
159.11684	1.3
161.09653	1.7
161.13202	0.8
163.11188	1.2
165.09125	12.1
165.12721	3.3
171.11711	0.5
173.13353	0.7
175.11226	0.9
175.14879	0.5
177.12756	14.2
179.14285	2.7
181.15913	3.5
189.12820	0.6
191.14325	4.4
197.15361	1.6
199.14951	0.6
205.15895	1.0
209.15414	3.8
214.82352	0.4
215.16434	0.6
229.18048	2.0
231.17418	0.5
305.21109	1.4
319.22794	0.7
329.24704	2.2
338.75592	0.5
361.27380	100.0
362.27692	0.9
387.05243	0.6
393.30090	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	394.1648
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
55.01870	1.3
58.99593	13.7
60.70351	0.9
61.01153	1.5
62.99089	1.0
67.05489	2.1
69.07075	63.4
70.85456	1.7
73.01154	1.4
74.00672	1.7
75.68935	1.0
76.02243	5.4
76.04005	3.5
83.06084	2.5
84.04513	27.2
85.01118	1.0
86.99066	14.8
87.08099	2.6
88.02212	3.8
93.07057	2.5
99.05595	1.4
101.04241	3.0
105.00087	1.8
112.03991	1.0
115.05795	2.6
116.01688	61.6
117.03708	2.0
119.05297	2.1
127.05796	3.5
129.06610	8.6
130.05003	9.1
142.03256	2.4
144.01161	29.1
145.05774	1.4
145.06853	34.5
162.02220	100.0
162.09529	5.2
173.06175	1.0
191.07416	2.3
230.08505	5.8
248.09554	71.2
260.15247	0.9
265.12207	31.1
319.13248	20.5
331.13406	1.5
394.16483	8.9
405.94485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01876	6.9
55.05515	10.1
55.78015	0.9
57.03428	5.4
61.02922	6.0
65.94693	1.2
67.05489	4.0
68.99779	2.7
69.03429	37.8
69.07068	50.0
70.06595	1.6
70.46049	3.0
70.46400	1.1
71.04980	4.3
73.02924	6.9
81.03415	24.0
81.07054	2.4
84.08141	1.5
85.02905	100.0
86.09691	1.9
87.00829	46.4
87.04462	1.1
88.74945	1.0
91.03954	2.1
91.05476	1.7
93.07052	2.0
95.04978	1.6
95.08591	2.4
97.02890	38.2
97.06513	1.1
97.36382	1.2
99.04463	12.1
103.03971	1.3
104.10779	1.3
105.01868	87.2
105.07051	1.4
107.04980	1.2
107.08589	1.8
108.04492	2.0
109.02880	25.7
109.10133	1.2
111.04363	1.0
111.11720	9.6
115.03931	1.6
117.01810	1.8
121.10109	1.4
123.11626	1.1
125.99175	1.1
127.03916	71.4
129.01848	4.4
133.10069	1.2
145.04958	42.2
147.02893	1.2
159.02896	12.1
177.03827	1.1
189.03932	3.6
197.15288	1.8
213.03986	3.4
219.13829	2.1
231.04999	29.1
237.14818	1.3
248.07661	2.0
249.06078	14.3
255.15958	1.1
320.17612	1.2
394.19061	6.9
394.34470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.3
54.21625	2.6
55.01868	2.7
55.05519	15.9
56.78808	2.3
57.07076	12.4
58.14521	2.8
59.04995	5.7
59.53456	2.3
65.03938	3.0
67.05504	33.6
69.03436	3.9
69.06792	2.2
69.07079	25.2
70.69789	6.3
71.04974	3.6
71.08620	4.0
74.10681	2.3
79.05495	33.4
81.07059	66.0
83.04977	7.2
83.08610	9.1
85.06545	5.4
89.06026	3.0
91.05480	50.9
93.07047	87.2
95.04970	54.8
95.08606	52.7
97.06523	11.2
98.98476	2.9
100.62137	2.6
103.05471	5.7
105.07030	100.0
107.08598	54.1
109.06531	17.4
109.10165	30.7
111.08065	3.0
115.05460	5.6
117.07018	22.2
119.08585	99.5
121.06497	22.6
121.10142	39.0
123.08064	5.7
123.11711	11.0
128.06232	10.4
129.07014	18.6
130.07780	7.6
131.08568	45.0
133.10146	51.4
135.08061	6.2
135.11685	25.5
137.09601	5.4
139.11159	3.0
141.06995	5.7
142.07776	21.4
143.08565	40.8
144.09383	13.3
145.10132	67.8
147.08072	7.6
147.11671	19.3
149.09641	5.4
149.13249	3.7
153.07045	4.5
154.07742	2.9
155.01074	3.5
155.08514	12.8
156.09331	10.3
157.10126	67.4
158.10876	6.2
159.08127	4.9
159.11707	52.5
161.09587	19.5
161.13287	10.4
163.11147	4.6
165.07062	4.2
167.08519	5.7
168.09396	4.8
169.10139	19.5
170.10864	6.1
171.11682	29.2
172.12431	3.2
173.09578	4.4
173.13283	23.8
175.11217	14.5
175.14798	19.2
179.08548	7.5
181.10175	9.6
182.10944	3.7
183.11729	18.4
185.13274	12.5
187.11203	10.1
187.14810	11.0
193.10138	7.0
194.10905	5.6
195.11729	11.1
196.12367	5.3
197.13293	15.8
199.14821	10.7
201.12816	3.1
201.16336	12.2
206.10884	4.8
207.11684	7.4
208.12474	4.3
209.13295	17.1
210.13930	4.5
211.14839	9.4
213.16411	5.7
217.15933	2.6
220.12598	2.9
221.13286	6.8
223.14787	6.7
224.15688	3.0
225.16400	4.8
227.14302	3.2
235.14838	8.0
239.14314	3.9
239.18137	3.3
241.19582	5.4
249.16301	4.2
253.15883	6.1
253.19829	3.4
265.19553	4.1
279.21399	3.4
281.18814	2.8
283.20618	5.3
304.26273	6.3
375.26758	9.5
376.25806	3.3
393.27951	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56707	4.8
53.03923	6.9
55.05509	29.9
57.07069	21.4
65.03947	4.2
67.05515	28.6
69.07078	34.8
69.21528	5.1
71.12978	9.2
74.00832	4.8
79.05503	21.9
79.32522	5.2
81.07075	41.3
83.08646	8.5
89.06080	5.5
91.05486	42.5
93.07054	61.6
94.33334	4.6
95.04978	48.0
95.08607	42.8
97.06553	8.5
105.07037	100.0
107.08595	29.4
109.06513	8.9
109.10176	20.9
111.08060	5.1
116.05349	8.2
117.07027	16.6
119.08597	60.1
121.06528	24.4
121.10171	20.4
123.08096	14.4
123.11756	6.3
127.03838	6.5
129.06996	8.7
130.07791	8.4
131.08586	23.4
133.06578	5.5
133.10132	24.2
135.08049	54.8
135.11714	9.9
137.09579	5.5
142.07770	15.9
143.08565	22.8
145.10133	47.7
147.11707	41.3
149.09636	21.6
155.08586	8.4
157.10161	20.6
159.11687	12.5
161.09622	13.5
161.13199	6.9
163.11140	7.0
169.10112	12.7
171.11668	11.1
172.11493	12.0
173.13199	9.9
175.11197	25.9
183.11714	12.7
185.13196	6.8
189.12801	6.3
191.14313	20.4
195.11891	5.0
196.12534	6.4
201.12801	7.1
203.14330	14.3
205.15884	99.4
211.14818	7.0
217.15906	9.8
218.16707	28.1
229.15875	6.2
271.20496	9.6
284.21393	6.3
313.21637	9.3
361.27551	28.8
376.25928	18.6
393.27679	66.1
396.94061	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	392.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02445	0.8
55.01872	2.1
55.05495	1.3
56.05035	1.2
56.96553	0.9
57.03439	14.2
58.99584	7.0
65.03936	1.5
67.05492	0.7
69.84893	3.9
76.02230	50.9
76.03985	1.6
78.82919	0.8
83.06091	2.6
84.04506	22.3
84.08143	4.0
85.06545	20.6
87.02697	1.4
88.02215	2.4
89.00609	1.9
91.05484	1.3
99.02682	5.1
99.05550	1.2
112.03963	2.1
113.64266	0.7
116.01691	12.2
117.03722	100.0
125.01600	0.8
125.04231	4.5
127.04990	1.0
129.06613	6.2
130.05003	14.3
142.03204	3.1
142.06851	8.0
143.05270	5.1
144.01160	7.3
145.06110	1.5
149.02330	2.0
160.07912	20.7
162.02206	32.4
163.03963	0.9
167.97710	0.7
170.02780	1.2
171.02063	1.2
172.02490	1.8
179.04861	18.5
180.98705	0.8
181.00552	0.8
183.16542	0.8
187.05348	2.3
212.53964	0.8
215.04803	1.2
228.06802	2.1
233.05959	5.2
236.14769	0.7
245.09564	93.5
246.07889	7.1
263.10620	10.3
299.10617	0.9
317.11652	17.7
329.11682	0.8
365.77823	0.9
375.12543	1.3
392.14856	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	393.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05502	0.4
56.05013	0.3
58.96886	0.2
59.37012	0.2
67.05489	0.5
68.05020	1.8
68.26762	0.2
69.03403	0.3
69.04520	0.3
69.07061	0.3
69.35608	0.6
69.36002	2.2
70.06588	2.9
72.08124	0.7
74.06065	0.3
79.05483	0.6
81.03378	0.7
81.07056	0.5
84.04470	0.4
84.08146	1.4
85.02859	0.4
86.09708	1.4
91.05448	1.2
93.07018	0.8
95.04945	0.6
95.08568	0.4
97.02885	0.4
107.08617	0.3
117.07021	0.3
119.04920	0.9
120.08104	0.6
124.05058	0.9
125.05972	0.5
127.03915	0.8
130.04999	0.9
140.03404	0.9
147.04387	2.3
149.04561	0.8
151.03902	1.0
155.07019	1.1
161.08253	0.3
166.07207	0.7
166.08513	0.3
172.05960	0.7
189.06430	0.5
189.10170	0.5
197.08118	0.7
201.06532	1.4
202.07201	1.6
203.07974	1.5
204.08829	6.5
215.07977	1.2
216.08798	100.0
217.09523	2.5
218.08484	0.4
218.10390	4.9
225.06447	9.4
226.07214	3.5
227.08014	1.0
228.08818	0.6
229.09625	1.3
230.10384	9.1
240.08795	53.7
241.09521	1.9
242.10385	0.5
246.09846	7.3
247.04228	3.7
255.09943	0.4
258.09818	2.7
261.14999	0.3
268.08264	4.6
272.11395	3.5
283.09351	1.3
286.09192	0.3
300.10907	51.1
301.11243	0.9
311.08932	1.0
315.11960	0.9
321.17090	0.5
333.13095	2.6
343.11465	2.1
361.12585	5.0
375.06860	0.4
375.14139	6.1
393.07959	5.1
393.15173	37.2
394.15521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.8
55.01873	4.5
55.05513	22.7
56.14595	3.7
57.03455	4.9
57.07077	10.1
65.03942	6.3
67.05504	25.8
67.21196	3.5
69.03432	10.7
69.07078	18.9
70.30225	3.4
71.08630	4.3
79.05147	3.6
79.05509	42.0
81.07058	59.8
83.04990	10.1
83.08614	13.7
91.05488	55.9
93.07050	66.2
95.04977	63.1
95.08616	39.5
97.06535	12.4
98.20730	7.4
98.98470	6.4
103.05445	6.1
105.07040	100.0
107.08601	51.3
109.06541	19.9
109.10172	35.8
111.08092	13.3
111.58600	3.4
115.05468	10.7
117.07014	21.5
119.08582	75.5
121.06493	20.2
121.10162	43.7
122.07297	7.1
123.08070	10.5
128.06227	11.6
129.06995	17.2
130.07802	10.4
131.08582	47.8
133.06516	4.4
133.10132	58.9
135.08105	7.5
135.11673	7.9
137.09621	29.6
141.07051	10.9
142.07848	16.9
143.08591	40.6
144.09363	13.3
145.10135	66.4
147.08034	18.9
147.11659	21.2
149.02348	42.7
149.09636	7.1
149.13268	4.8
151.11203	5.6
155.01048	9.4
155.08577	18.7
156.09366	12.2
157.10147	55.6
158.11035	3.9
159.08029	9.1
159.11720	26.0
161.09695	16.1
163.11154	4.6
165.06967	5.0
167.03380	3.9
167.08563	9.4
168.09360	6.0
169.10126	31.3
170.10901	10.6
171.11711	24.9
173.09647	10.6
173.13283	16.1
175.11198	8.4
175.14832	7.0
179.08554	9.1
180.09332	6.3
181.10101	17.2
182.10802	5.1
183.11723	22.6
185.13243	20.3
187.11259	5.5
187.14787	7.1
193.10191	9.9
194.10980	8.0
195.11768	12.6
196.12444	5.3
197.13293	26.1
199.11143	4.4
199.14891	9.3
201.12770	4.6
205.10144	5.7
206.10905	6.9
207.11723	11.7
208.12425	6.3
209.09767	3.9
209.13278	22.7
211.11385	4.8
211.14876	7.3
213.16307	4.1
219.11664	5.7
220.12468	4.8
221.13263	13.2
223.14824	5.2
225.12724	7.5
225.16460	3.8
231.11647	3.7
234.14116	4.2
235.14751	7.3
239.14291	5.7
246.14154	3.5
247.14816	3.6
249.16440	4.4
251.18053	4.6
253.15848	10.9
293.18979	4.1
320.12183	3.4
373.25412	7.8
391.26196	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44950	2.1
52.67263	2.1
53.03939	3.8
54.78448	2.2
55.01867	3.2
55.05509	7.5
57.07074	11.2
63.62116	2.0
65.03940	3.0
67.05509	15.2
69.03423	4.2
69.06734	3.3
69.07074	39.6
71.04983	2.1
71.08648	12.2
71.09756	1.9
75.86469	2.2
75.86975	2.2
79.05500	16.4
81.07057	31.2
83.04989	5.4
83.08623	2.9
84.08167	5.2
84.21013	2.0
85.10176	5.7
89.06036	9.1
91.05480	33.3
93.06487	4.0
93.07047	47.9
95.04974	31.9
95.08608	27.9
97.06531	9.2
98.21528	6.0
99.11580	2.1
101.71577	2.0
103.05465	3.4
105.04500	2.9
105.07034	57.5
105.07703	4.5
107.04951	2.3
107.08597	21.5
109.06511	8.0
109.10181	12.5
111.08088	3.8
113.09620	6.1
115.05505	3.0
117.07029	11.1
119.04948	6.3
119.08591	57.5
121.06493	20.8
121.10154	29.2
122.07296	4.0
122.90260	2.3
123.08070	10.6
123.11751	2.2
128.06235	6.3
129.07024	9.2
129.10231	8.9
130.07787	4.8
131.08594	19.9
132.09346	3.2
133.06503	100.0
133.08604	7.1
133.10129	23.1
135.08086	8.6
135.11723	7.7
137.09630	21.3
139.11156	15.6
141.06987	6.3
142.07803	14.4
143.08580	22.2
144.09309	7.6
145.06476	6.1
145.10143	26.1
146.07253	4.1
147.08124	15.3
147.11705	24.3
149.02344	23.3
149.09621	4.2
149.13245	4.4
153.07048	2.4
154.07692	2.4
155.08582	10.8
156.09329	7.6
157.10132	34.5
158.10916	4.3
159.08025	7.0
159.11694	21.6
161.09637	21.5
161.13252	6.3
163.11179	9.9
165.07030	3.3
167.03387	2.6
167.08662	3.6
168.09300	2.6
169.10188	11.1
170.10928	7.2
171.11694	15.7
172.08844	3.4
173.09631	11.1
173.13264	10.9
175.11198	6.7
175.14867	4.7
178.50781	2.5
179.08530	4.9
181.10106	5.9
183.11719	12.0
184.87741	2.2
185.09663	2.8
185.13264	11.1
187.11211	11.7
187.14790	6.1
189.12737	8.4
191.14323	8.4
193.10144	4.6
194.10934	2.9
195.11952	8.2
196.12326	2.6
197.13319	7.2
199.11121	7.9
199.14865	12.0
201.12717	8.4
203.14330	50.3
205.15916	3.9
206.10983	3.0
207.11737	3.9
209.13277	7.2
211.11185	3.3
211.14879	6.3
213.12764	5.8
215.14299	10.2
217.15851	12.2
221.13347	5.4
223.14783	3.6
227.14285	4.4
231.11539	3.1
233.13162	2.5
235.14877	3.3
237.16425	3.2
239.14278	3.7
241.15823	2.8
247.14854	2.8
253.15854	4.1
255.17398	2.8
257.19061	3.6
281.19150	3.2
293.19110	2.8
295.20715	2.2
347.23489	3.4
373.25348	5.5
391.26355	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	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51099	4.4
51.09314	3.8
51.88837	3.5
52.45616	3.6
53.03943	10.8
54.22348	4.0
55.01883	4.7
55.05512	19.3
57.07076	6.9
59.04995	6.5
63.81319	4.0
65.03943	4.5
67.05509	33.3
69.03423	12.1
69.07064	22.6
71.04980	5.9
71.08627	10.3
71.53140	7.6
79.05494	38.2
81.07059	62.7
83.04986	18.1
83.08637	7.9
85.06542	9.6
91.05483	64.6
93.07049	73.0
95.04978	66.3
95.08623	36.9
97.06547	17.0
98.98495	6.9
103.05464	7.5
105.07038	100.0
107.04951	7.2
107.08598	56.8
108.42165	4.4
109.06524	25.3
109.10152	42.7
111.08098	11.5
111.82681	3.7
115.05466	7.7
117.07022	26.7
119.08591	87.2
120.80055	4.0
121.06525	24.3
121.10157	46.4
123.08092	9.2
123.11702	10.6
128.06239	15.7
129.07022	22.4
130.07814	8.2
131.08582	54.1
133.06499	8.4
133.10143	64.7
135.08029	14.0
135.11687	8.2
137.09622	34.9
141.07005	11.9
142.07788	20.2
143.08548	51.7
144.09401	13.6
145.10139	74.8
147.08035	21.2
147.11697	22.2
149.02351	63.5
149.09604	9.8
151.11137	4.7
153.07010	4.4
154.07742	5.7
155.01044	14.7
155.08562	17.5
156.09372	16.7
157.10156	57.8
158.10893	5.9
159.08112	9.3
159.11697	25.6
159.12865	4.2
161.09642	20.5
161.13263	8.6
165.06990	6.9
167.03421	7.4
167.08601	11.0
168.09367	6.7
169.10155	31.1
170.10930	10.6
171.11674	24.3
172.12083	4.7
173.09639	10.8
173.13277	21.5
175.11150	5.3
175.14833	8.5
179.08640	14.7
180.09348	7.6
181.10172	16.0
182.10876	8.7
183.11761	19.4
185.09595	5.4
185.13269	19.3
187.11217	10.9
187.14824	10.3
191.14275	5.2
192.09412	6.2
193.10161	13.9
194.10959	9.7
195.11745	22.0
196.12486	7.4
197.13232	24.1
199.11276	8.3
199.14825	11.2
201.12814	8.6
203.14293	4.0
206.10965	9.5
207.11699	14.5
208.12508	5.2
209.13293	20.5
211.14821	10.5
213.12811	4.5
220.12495	6.0
221.13263	12.7
223.14859	9.9
225.12801	6.4
225.16412	10.8
227.14343	4.6
233.13347	5.8
235.14835	9.1
237.16481	6.5
239.14217	5.6
247.14743	4.3
251.14310	5.9
253.15869	8.4
259.14853	4.8
281.19077	4.8
307.20450	5.5
308.25763	4.5
335.19644	4.0
373.25299	9.9
391.26355	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01890	1.7
55.05521	7.2
55.81544	1.5
57.07078	5.3
59.04993	2.1
67.05505	8.2
69.03451	3.2
69.07083	6.3
71.08643	4.1
71.53374	3.4
72.38934	1.9
79.05506	16.2
81.07063	29.0
81.99055	1.8
83.04977	4.5
83.08626	2.1
85.06566	2.8
85.40561	1.8
88.07673	2.4
91.05486	22.2
93.07055	21.7
95.04974	27.4
95.08607	12.0
97.06529	2.6
103.05497	2.4
105.07037	40.9
107.08614	18.5
109.06548	7.7
109.10188	8.4
117.07024	14.4
119.08588	31.6
121.02966	2.1
121.06480	9.9
121.10146	18.0
123.08127	3.0
128.06223	6.4
129.07024	9.1
130.07803	4.4
131.08598	11.8
133.06519	3.6
133.10167	15.8
135.08032	4.1
135.11697	3.3
139.45404	1.9
141.06998	3.2
142.07767	10.1
143.08562	18.8
144.09427	1.8
145.06534	2.8
145.10144	27.4
147.08051	4.8
147.11720	6.8
149.02357	32.2
149.09610	4.4
153.06950	2.5
155.08606	8.5
156.09328	6.2
157.10130	22.5
158.10855	2.7
159.08084	7.1
159.11713	11.7
161.09639	10.0
165.07059	3.6
167.03433	4.5
167.08595	4.5
167.10724	4.2
168.09299	3.7
169.10135	12.6
170.10944	3.0
171.11668	17.9
173.09731	7.4
173.13309	7.9
175.11201	4.2
179.08595	6.5
180.09329	2.5
181.10083	9.7
182.10953	5.3
183.11731	14.9
184.08983	2.3
185.13249	4.1
187.14861	3.6
193.10150	11.6
194.10954	7.4
195.11742	13.8
196.12538	6.5
197.09642	2.5
197.13284	13.0
199.11284	5.8
199.14842	4.0
201.12703	3.4
205.10182	4.0
206.10991	3.3
207.11723	11.1
208.12576	6.1
209.09784	2.5
209.13298	13.5
210.14243	2.4
211.11179	3.9
211.14891	6.4
215.14513	2.2
218.10925	2.6
219.11746	4.0
220.12567	3.8
221.13341	8.3
222.14003	2.7
223.11203	2.9
223.14740	9.2
225.12856	5.4
225.16466	3.3
227.14415	4.7
231.11620	3.0
233.13341	4.2
234.13988	2.8
235.14905	5.1
237.12740	4.0
237.16513	3.9
245.13353	4.2
247.14891	4.9
249.16417	6.1
251.14395	3.0
251.18050	4.8
258.13919	2.2
260.15677	2.5
261.16550	4.5
263.18152	3.8
265.16031	2.0
265.19449	2.5
267.17328	2.9
269.19174	2.5
273.16592	2.9
278.66135	2.1
279.17386	3.2
282.19910	2.2
283.20895	1.9
289.19470	3.6
291.17538	3.8
295.20578	3.2
297.18652	4.0
307.20395	2.4
317.19022	3.6
335.20245	5.5
345.25742	2.4
347.24161	2.2
355.24194	2.5
373.25262	20.9
391.26358	100.0
391.36365	6.6
392.26587	3.4
414.21713	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.05506	13.1
57.07059	5.5
59.04992	3.4
65.03928	2.7
67.05516	12.0
69.03424	4.5
69.07067	10.1
71.04995	2.3
71.08605	3.3
71.52157	1.9
71.52696	2.4
73.08000	1.7
77.03926	2.6
77.83582	1.8
79.05064	2.5
79.05489	22.8
81.06587	2.7
81.07052	33.6
83.04972	4.5
83.08615	2.7
85.06528	4.0
91.05481	33.2
93.07040	40.4
95.04970	40.4
95.08606	20.5
97.06516	5.2
103.05464	2.9
105.07031	56.2
107.04964	2.7
107.08589	23.0
107.31421	1.9
109.06519	8.0
109.10137	9.2
111.08066	2.9
115.05444	5.3
117.06998	12.2
119.08577	45.9
121.06519	12.6
121.10143	24.0
123.08078	6.5
123.11707	2.2
125.09561	2.0
128.06219	7.4
129.07010	12.7
130.07768	6.9
131.04980	2.0
131.08575	23.7
133.06479	3.7
133.10109	15.6
135.08061	6.2
135.11731	5.5
139.11160	2.1
141.06984	7.0
142.07768	14.1
143.08556	26.5
144.09335	5.5
145.06496	4.0
145.10126	40.6
147.08064	5.9
147.11681	8.7
149.02342	31.2
149.09604	5.9
149.13313	2.4
151.11101	2.3
153.06950	4.0
154.07782	4.2
155.08569	11.2
156.09328	10.2
157.10109	30.3
158.10892	4.8
159.08055	8.8
159.11697	13.8
161.09627	8.3
163.11220	2.0
165.07021	7.4
166.07845	4.3
167.03394	4.0
167.08545	7.9
167.10757	2.1
168.09338	5.4
169.10129	19.2
170.10941	4.1
171.11702	17.8
173.09584	6.8
173.13271	11.8
173.76923	2.0
175.11179	5.1
177.12784	2.3
178.07803	2.2
179.08580	9.3
180.09351	6.0
181.10083	13.2
182.10893	6.7
183.11707	18.1
184.12500	3.4
185.09644	4.4
185.13287	9.1
187.11192	4.3
187.14894	3.9
187.79117	1.8
191.08511	3.1
191.14302	5.5
192.09312	5.8
193.10167	15.6
194.10904	9.4
195.11688	17.5
196.12418	4.1
197.09573	2.5
197.13274	15.2
199.11159	5.2
199.14795	7.1
201.09192	2.1
201.12767	2.2
204.09229	2.5
205.10074	4.7
205.16032	2.1
206.10930	7.4
207.11667	14.6
208.12454	7.0
209.09673	2.5
209.13200	14.2
210.14108	4.3
211.11266	4.5
211.14804	7.5
213.12720	5.3
215.14319	3.8
217.09975	3.7
217.15895	3.3
218.10887	4.8
219.11702	9.6
220.12485	5.8
221.13261	14.2
222.10365	1.9
222.14024	2.6
223.14799	12.8
225.12680	5.9
225.16405	4.0
227.14293	4.6
231.11655	3.9
233.13234	9.0
233.15411	4.9
234.13910	3.9
235.11151	2.6
235.14833	11.9
236.15660	3.1
237.16293	4.6
239.14331	3.4
239.17914	3.3
245.13321	5.4
246.13942	3.1
247.14728	8.8
248.15639	2.4
249.12787	2.1
249.16360	12.4
251.14345	2.6
251.17903	3.2
257.13120	2.2
259.14877	4.8
261.16357	3.7
263.14441	2.6
263.17935	8.8
264.18729	3.6
265.15903	2.5
265.19516	3.5
267.17377	5.2
269.19095	2.2
271.14758	2.8
273.16470	3.7
275.17953	3.6
277.19550	3.1
279.17294	3.3
281.18884	3.1
282.19855	8.5
289.19394	5.4
291.17429	4.9
293.18762	2.2
295.20563	5.3
297.18610	2.5
303.21008	2.2
307.20441	3.5
308.21390	3.9
317.19336	3.1
333.22229	2.1
335.20117	4.2
355.24194	3.0
373.25320	17.5
391.26285	100.0
392.26309	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.41225	0.6
54.54073	0.6
55.01888	1.4
55.05516	4.7
56.96555	2.2
57.03424	0.7
57.07063	2.2
58.10698	0.6
61.02927	1.1
65.03946	1.0
67.05508	6.1
69.03429	2.3
69.07075	10.0
69.25694	4.3
71.04979	0.8
71.08635	1.1
73.02898	1.1
77.03930	0.8
79.05495	7.9
79.91557	0.6
81.03407	1.5
81.07062	10.0
83.04994	1.8
83.08620	2.2
85.02879	2.0
91.03969	0.6
91.05489	11.1
93.07051	15.5
95.04978	14.8
95.08619	6.3
97.02867	1.6
97.06532	2.4
105.07041	15.7
106.07814	1.0
107.04965	1.2
107.08588	9.0
109.06546	6.0
109.10169	4.3
110.75673	0.6
115.05431	1.0
117.07049	4.4
119.04955	0.7
119.08601	12.1
121.06536	5.1
121.10131	6.7
121.10834	0.7
122.07278	1.1
123.08081	3.9
123.11719	2.7
126.59091	0.7
127.03887	1.0
128.06247	2.4
129.07060	3.9
130.07817	1.6
131.08591	6.8
132.09375	0.7
133.06537	1.0
133.10155	4.5
135.08063	12.0
135.09027	1.2
135.11729	5.5
137.09644	0.8
141.07002	1.8
142.07797	4.1
143.08578	8.4
144.09320	2.2
145.06497	1.2
145.09053	1.2
145.10141	13.6
147.08096	1.9
147.11711	3.5
148.08884	0.7
149.02348	12.3
149.09651	4.9
153.06975	1.5
154.07784	1.4
155.08539	2.1
156.09360	2.7
157.10136	10.9
159.08078	2.3
159.11697	5.5
161.09619	3.2
161.13269	2.7
163.11197	2.0
165.07068	1.4
165.12767	1.6
167.03377	1.6
167.08566	0.9
168.09370	0.7
169.10190	5.7
170.10938	1.2
171.08087	2.6
171.11674	7.0
173.09653	3.4
173.13240	2.0
175.11217	2.5
177.12766	1.5
179.08528	1.2
179.14346	1.3
180.09320	1.0
181.10120	3.8
181.12154	1.2
182.10910	1.3
183.11671	4.9
185.09641	3.0
185.13239	2.0
187.11218	2.6
187.14856	0.8
191.14325	7.2
193.10190	1.4
194.10919	1.7
195.11722	3.3
196.12553	0.7
197.09691	0.8
197.13301	3.4
199.11256	6.5
199.14885	2.4
201.12753	2.8
203.14368	0.8
205.15906	8.2
207.11671	2.4
209.13266	4.2
211.11208	1.8
211.14856	1.6
213.12773	2.2
213.16379	0.9
217.15926	2.2
219.11688	0.8
221.13292	1.4
223.14783	1.3
225.12779	1.4
225.16374	1.2
227.14365	1.8
237.07991	1.0
243.09505	0.8
247.17108	1.2
255.09073	7.0
255.15823	1.5
267.17477	1.5
269.19116	2.6
270.19781	2.5
271.20520	3.1
273.10083	2.2
282.19873	1.0
283.08865	1.1
292.12509	1.5
299.19998	1.7
301.15439	0.8
347.15317	1.1
365.16379	5.8
383.17395	1.7
391.26349	100.0
392.26773	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96410	3.7
56.96557	6.6
57.07068	13.7
65.03950	5.6
67.05524	4.9
68.55235	4.0
70.06590	8.7
70.18497	15.6
71.08620	12.2
79.05505	3.8
84.04492	8.0
84.08152	7.1
85.02892	5.4
86.09708	7.6
89.03916	4.6
91.05489	8.0
95.05023	5.2
97.44267	3.6
98.97597	31.2
109.88326	3.4
110.97572	8.0
116.98607	9.7
117.03394	6.9
119.04934	8.8
120.08131	11.9
121.02875	5.1
123.04442	13.2
125.01535	11.0
135.04445	11.0
143.00156	5.6
145.02881	6.5
147.04446	20.3
149.02345	86.8
153.01051	8.8
158.99564	4.0
163.03888	15.2
167.03421	15.4
171.02098	29.9
177.00784	5.1
177.05461	5.2
181.04985	62.6
198.99852	3.7
199.01569	7.4
219.01772	9.0
237.02773	10.6
247.04840	4.1
265.05981	41.6
267.00134	4.2
272.81760	4.2
283.07092	8.4
295.06052	4.8
307.07016	32.6
323.05618	5.7
347.04733	3.3
349.08026	11.7
351.38022	3.4
353.98087	3.5
374.61304	3.5
391.10037	100.0
391.14941	3.9
391.19769	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	391.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01875	0.6
55.05518	0.4
56.05021	0.5
57.07047	0.3
65.03617	0.4
65.03944	5.7
66.00590	0.3
67.05510	2.4
69.03444	1.4
69.07037	0.4
70.06599	2.8
71.08625	0.8
71.16796	0.3
71.48491	0.6
72.08163	1.3
78.24911	0.2
79.05487	0.7
81.03413	0.6
81.54145	0.3
82.04210	2.4
83.04979	0.4
84.04497	0.9
84.08146	1.6
85.02911	3.4
86.09718	1.3
91.05451	0.3
93.03400	1.3
93.07037	0.4
94.14917	0.3
95.04965	1.2
95.08624	0.3
97.02919	0.5
97.06551	1.8
99.04414	0.4
101.06044	0.3
107.08612	0.3
108.02100	1.3
109.06571	0.3
110.03680	2.7
110.07143	0.6
111.04429	0.9
114.03119	0.3
118.06529	0.6
118.64852	0.3
119.04962	0.3
120.08088	1.5
121.02863	0.3
123.00789	0.5
125.05994	1.6
127.03936	0.7
129.10223	0.7
130.04996	0.5
130.08624	0.4
133.10110	0.3
137.05983	0.3
138.03152	1.7
140.04692	1.3
142.02654	1.6
145.02919	0.3
147.04413	0.4
147.07695	0.7
149.02365	4.1
153.05524	1.7
155.06992	0.6
159.72102	0.3
163.03964	0.6
164.01509	0.3
166.02682	0.3
167.03328	0.4
171.06551	3.1
181.04968	100.0
182.05316	0.9
199.05959	0.3
292.12692	0.3
391.14832	2.3
391.19348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26434	3.0
53.03925	2.8
55.01864	10.7
55.05515	18.7
57.07067	8.6
58.06587	3.1
67.05247	3.0
67.05515	33.6
69.03419	6.3
69.06730	5.2
69.07073	58.9
70.06599	19.8
70.21067	2.9
71.04985	14.0
71.08616	3.4
71.51858	4.7
79.05504	22.3
81.03416	6.2
81.07059	32.3
83.04937	3.4
83.08624	5.7
84.08114	3.3
85.06536	4.2
88.07619	5.0
91.05487	19.9
93.07056	25.9
95.04971	10.7
95.08625	30.6
97.06523	14.4
97.10168	7.1
101.75478	3.0
102.09145	3.8
105.07037	17.9
107.04984	7.6
107.08599	20.4
109.06536	6.3
109.10162	14.4
111.08057	4.1
117.07049	7.6
119.08636	18.8
121.06499	4.0
121.10115	11.6
123.08073	3.4
125.09632	6.6
129.07025	3.4
131.08562	12.9
132.10222	7.6
133.10081	16.1
135.08046	5.3
135.11702	9.1
137.09634	8.1
145.10117	8.7
146.11771	3.9
147.11703	11.0
149.02322	5.4
149.09633	14.7
157.10139	3.7
159.11717	16.5
161.09599	4.0
161.13315	4.5
163.11201	6.4
173.13196	4.9
177.12762	10.5
193.12207	3.4
209.15410	4.6
215.18010	4.4
239.17894	3.5
240.72058	3.2
241.18028	18.1
257.18967	11.5
275.20117	45.4
284.29419	14.6
289.21597	14.7
307.22760	21.7
327.63889	3.0
328.32129	39.3
349.16681	4.4
390.35846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.14938	0.6
55.01880	0.7
55.05528	0.9
64.51244	0.7
65.03941	6.5
67.05489	1.9
67.18288	0.7
67.56918	0.6
69.03425	1.6
69.40051	4.8
70.06609	4.2
71.04951	0.7
71.08630	1.5
72.08168	1.0
77.11618	0.6
82.04189	2.4
84.04503	0.8
84.08153	1.6
85.02910	5.3
86.09703	1.6
86.16634	0.6
88.40672	0.6
91.05489	1.0
93.03394	1.5
95.04984	1.6
97.02897	0.8
97.06513	2.1
98.97579	0.7
107.08572	0.7
109.02863	0.9
110.03660	2.4
111.04404	1.5
119.04913	0.7
120.08121	0.7
121.02908	1.0
123.04419	1.0
125.05960	1.7
125.09628	1.0
127.03918	1.6
129.10283	1.2
137.05978	3.0
138.03116	2.1
142.02596	2.1
143.10677	0.8
149.02356	11.8
149.05930	1.1
167.03407	1.2
171.06522	2.8
181.04962	100.0
182.05342	1.0
187.10838	0.8
300.79221	0.7
391.14795	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
53.19818	2.3
53.80117	2.0
55.01863	6.8
55.05516	16.2
57.03437	3.1
57.07079	5.0
63.80192	2.3
67.05509	44.6
69.03432	3.3
69.07069	60.0
70.06599	17.8
71.04997	22.8
71.52453	3.3
73.59993	2.1
75.64137	2.1
79.05495	25.4
81.03420	6.3
81.07060	36.5
83.04956	3.0
83.08603	6.7
85.06542	5.8
88.07634	5.6
91.05498	24.0
93.07050	34.7
95.04968	9.3
95.08617	35.2
97.06516	19.9
97.10165	8.3
98.18318	2.0
99.83194	2.0
102.09183	4.3
102.64054	2.1
105.07024	21.7
107.04972	5.3
107.08585	19.8
109.06543	3.4
109.10153	16.8
111.08064	5.1
117.07024	6.4
119.08595	17.1
121.10138	14.0
123.08061	5.8
123.11668	4.4
125.09641	9.1
129.07014	2.8
131.08577	11.7
132.10190	10.5
133.10112	16.0
135.08084	4.7
135.11700	12.1
137.09610	8.0
143.08554	2.8
145.10101	12.8
146.11819	5.7
147.11674	7.4
149.09622	15.1
149.13280	6.3
151.11212	6.3
155.08551	2.6
157.10216	4.2
159.11694	13.5
163.11205	7.1
167.10620	5.7
173.11754	8.4
173.13203	5.7
177.12773	8.4
179.14261	2.8
183.11760	2.5
187.11237	3.4
198.58487	2.3
199.13324	5.9
203.12686	2.8
209.15366	2.8
211.78601	2.5
229.19554	5.6
239.17911	5.2
241.17976	20.5
242.27637	2.2
247.20734	2.8
257.19003	11.4
267.08945	3.9
275.20050	48.6
284.29504	12.6
289.21655	10.7
291.19724	2.3
307.22714	20.2
321.24261	2.7
328.32138	38.2
358.21432	2.3
390.30685	5.0
390.35791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02423	0.5
66.99832	0.5
69.72926	2.1
79.05508	0.5
84.04498	0.6
86.09720	0.5
89.03925	6.8
98.20774	0.5
104.97301	0.4
107.04951	2.3
111.48518	0.4
117.02542	0.5
117.03393	10.1
120.30024	0.5
135.04425	18.3
145.02866	11.9
145.03998	0.9
148.06107	0.6
163.03914	100.0
164.04219	0.6
184.00253	0.4
186.59846	0.6
193.03438	1.2
197.12807	0.5
224.03926	0.4
227.16557	0.4
230.60773	0.4
253.72452	0.4
261.90533	0.6
365.62000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36090	0.9
53.03930	1.4
55.01851	1.6
55.05508	4.2
55.33164	1.0
56.05040	1.2
57.03420	1.3
57.52308	0.9
58.99592	8.4
60.04549	1.6
61.67946	1.0
65.03931	1.6
67.05493	4.2
69.03419	3.5
69.07076	6.9
70.02966	1.1
70.06595	6.2
70.10105	4.0
71.05004	7.6
72.08157	1.9
76.01837	1.5
76.02238	17.7
79.05506	8.5
81.07063	10.1
83.04974	7.3
84.04506	1.3
84.08146	4.6
85.02897	1.4
85.06547	6.9
86.09702	5.2
86.99050	5.8
87.04458	1.1
91.05478	9.3
93.07050	22.4
95.04977	5.2
95.08612	3.5
97.02890	1.3
97.06535	16.7
99.04472	10.9
100.12819	1.3
101.06081	1.2
103.05460	1.5
105.00089	8.5
105.07029	18.8
107.04976	3.4
107.08604	23.9
109.06517	9.0
109.10159	2.0
110.07141	1.9
111.04475	2.0
117.06995	4.2
119.04930	3.8
119.08589	11.5
120.08147	2.4
121.06512	4.5
121.10149	21.0
122.02734	100.0
123.08142	1.2
125.05982	9.3
127.07565	6.1
129.07013	2.9
129.10268	3.5
130.06503	1.5
130.07735	1.5
131.08578	14.1
133.10127	4.5
135.01079	3.6
135.04384	1.4
135.08070	5.1
135.11679	7.9
137.06010	5.9
139.07607	1.9
143.07040	20.1
143.08559	3.3
145.06451	1.6
145.10133	41.6
147.04445	10.7
147.08089	1.0
147.11671	2.6
148.04755	2.2
149.04900	2.1
149.09657	2.5
151.07565	5.0
152.03772	5.6
153.05470	1.9
153.09102	1.5
155.07065	4.9
159.08005	3.1
159.11723	11.6
161.06006	4.9
161.09622	3.3
161.13295	1.3
163.07640	1.1
163.11206	14.9
169.10010	2.3
173.09622	14.7
177.12729	2.4
181.04927	2.1
181.12254	14.2
187.11211	20.4
189.12782	1.8
191.10706	23.2
201.05544	1.5
203.17978	1.9
205.12263	26.3
205.14191	1.3
207.13898	1.3
209.11726	4.0
215.10689	11.9
223.13303	3.1
233.11716	28.6
251.12810	16.2
269.13843	8.1
390.15265	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03932	2.3
55.05504	6.0
56.38192	1.7
57.03432	3.5
57.07060	2.0
67.05490	7.1
69.03421	6.8
69.07054	8.2
70.07822	1.8
70.68650	4.2
71.04983	2.9
77.11362	1.7
79.05476	7.1
81.03402	2.0
81.07054	15.7
83.04997	9.5
83.08603	4.0
84.08144	3.4
85.02892	9.4
85.06548	9.5
86.09708	4.3
91.05482	7.2
93.07040	22.4
95.04947	7.2
95.08604	25.3
97.02870	2.4
97.06519	4.2
99.08125	16.2
105.07039	13.6
107.04964	9.0
107.08595	41.9
109.06522	11.5
109.10162	17.2
111.08073	5.3
113.09635	2.0
117.07056	2.0
119.08572	5.9
121.06508	24.5
121.10148	37.3
121.77306	1.7
123.08081	20.5
123.11662	3.1
125.06017	2.1
125.09631	10.2
131.08559	12.9
133.10133	23.7
135.08055	15.5
135.11670	5.9
135.76762	1.6
137.09586	7.9
139.07500	2.4
139.11139	4.7
143.10681	2.6
145.10062	2.8
147.11674	5.5
149.09624	68.3
149.13278	18.8
151.03883	4.0
151.11195	18.5
153.09099	5.3
158.10893	2.4
163.11168	2.3
163.14835	28.7
173.13268	24.8
177.05232	1.9
191.14316	72.1
209.15378	100.0
227.16391	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	389.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.8
54.33923	0.5
54.37936	0.5
55.01870	0.6
55.05516	3.2
57.03434	1.9
61.02922	1.5
66.31372	0.5
69.03435	17.7
69.56580	1.1
69.56984	2.5
70.06587	1.6
71.05000	5.2
72.93667	0.5
78.33430	0.5
81.03426	22.4
81.07044	1.2
83.04989	0.9
83.08611	3.3
84.08127	1.5
85.02913	49.1
86.09706	1.0
95.08614	0.7
96.07196	0.6
97.02901	4.1
99.04463	27.3
103.03951	49.4
109.02887	22.6
120.08158	0.8
123.04475	0.8
123.08109	2.0
124.08383	0.5
127.03930	100.0
132.19321	0.6
137.05998	1.0
145.04973	13.1
145.06155	0.6
148.03943	0.5
163.06053	1.7
181.05011	1.2
187.06038	9.3
187.07610	0.5
189.09091	0.9
201.09187	0.8
219.10208	1.5
253.07040	3.9
271.08194	3.3
287.15067	0.6
289.09079	0.7
353.24261	0.6
371.15018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.01864	1.7
55.05518	14.7
57.03441	4.2
61.02922	1.0
62.68661	0.5
67.05499	2.2
69.03437	20.5
69.07063	2.1
70.76230	1.1
71.01331	0.6
71.04997	8.1
73.02924	0.8
79.05499	2.0
81.03424	33.3
81.07064	3.2
82.04207	0.9
83.04990	3.0
83.08628	6.1
84.08156	0.6
85.02914	59.8
91.05485	1.6
93.07045	2.9
95.04958	1.6
95.08611	2.8
95.45622	0.4
97.02906	4.8
97.06516	0.9
99.04463	30.9
99.08076	0.7
103.03953	58.8
105.07039	1.5
107.04983	0.6
107.08574	1.3
109.02892	25.6
109.06561	0.9
111.04493	0.7
111.08102	6.3
113.09637	1.4
115.03945	1.4
117.07018	1.3
119.08600	0.8
121.06504	0.9
121.10165	0.6
123.08038	1.9
125.09664	0.8
127.03927	100.0
128.04292	1.0
131.08595	0.6
133.10146	0.7
135.08073	3.0
137.05986	0.8
137.09660	0.8
139.07544	4.7
139.11108	0.6
141.09125	6.4
145.04977	11.3
149.06021	0.7
151.03976	0.8
151.07556	1.8
153.09129	1.1
163.06038	1.4
163.11177	0.6
165.09073	0.6
167.10686	0.9
173.09663	0.9
179.10631	0.7
181.05081	1.0
187.06030	8.4
191.10690	1.9
192.14789	0.4
196.07640	0.5
209.11736	7.4
227.12837	1.4
245.13853	0.8
253.07047	4.1
261.80359	0.5
269.13843	10.6
269.16449	0.8
271.08200	2.1
276.76535	0.5
286.10629	0.6
287.14932	1.2
309.20062	0.5
329.11530	0.9
371.15051	0.6
382.14233	0.5
389.14026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01862	3.5
55.05507	5.2
56.05030	2.0
65.03946	3.4
66.92889	1.9
67.05493	2.4
68.99776	2.0
69.03438	4.0
69.05631	1.8
69.07063	3.0
69.83756	9.5
70.06591	8.1
71.04997	3.8
72.08176	3.4
79.05492	6.0
81.03417	5.3
81.07051	7.8
83.08583	4.2
84.08139	6.7
85.02915	13.2
86.09699	8.0
91.05485	4.4
93.07047	3.1
94.06583	4.3
95.04971	17.0
95.08610	4.1
97.02874	5.1
99.04477	11.1
103.03931	7.1
105.03439	2.9
105.07021	3.6
107.04896	3.4
107.08587	2.8
109.02873	11.2
109.06535	3.5
109.10147	4.0
110.03662	2.5
111.04436	3.8
112.79765	1.9
115.05443	3.8
119.08578	3.9
120.08131	4.1
121.02858	3.1
122.06020	2.6
123.04439	16.4
123.08115	3.0
123.11733	3.9
125.05996	2.5
125.09515	2.2
127.03947	25.8
128.06201	4.0
129.07010	17.3
131.04932	6.3
131.08577	3.1
132.10080	2.1
133.10095	3.1
136.07602	2.5
137.05966	8.2
139.03899	3.3
140.04712	5.2
141.07030	17.7
143.08617	2.3
145.04875	3.4
145.06523	5.7
145.10130	2.8
151.03926	17.1
151.07562	2.8
155.07025	6.6
157.06483	13.8
158.07281	14.7
159.08051	2.7
160.05251	2.1
161.06039	2.5
162.05548	4.3
163.07561	4.1
163.11192	3.1
164.07098	25.5
165.05386	2.9
165.09123	4.0
166.05016	25.6
167.07013	3.6
168.04190	4.5
169.05156	2.4
169.06505	8.8
170.07301	7.0
171.06638	2.2
171.08069	4.3
173.06018	5.1
173.09616	2.2
174.06754	7.9
175.07556	8.1
177.05414	3.5
181.04982	9.5
182.08099	5.7
183.06572	35.1
183.08113	4.0
184.48430	2.2
186.06807	18.6
187.06099	3.7
187.07562	37.6
188.08324	26.0
189.09116	40.8
201.09126	84.1
202.09506	2.8
203.10681	2.8
205.06564	2.3
208.06154	3.2
213.10194	2.5
219.08061	4.4
219.10185	3.4
227.16290	2.5
236.08406	3.0
241.09679	4.2
246.06808	2.2
247.07536	6.6
255.11406	3.0
261.09366	2.3
264.07779	5.9
269.09366	2.1
275.07056	4.0
277.08530	3.2
278.09363	3.6
279.10141	7.3
283.10733	2.9
289.08459	4.4
292.07202	2.9
293.11755	4.1
302.41260	2.5
306.09055	3.5
307.09607	25.0
309.11337	3.9
311.13141	2.4
321.11166	21.0
324.09695	2.6
329.11124	9.9
339.12439	17.2
357.10785	4.8
371.14944	100.0
372.15027	2.3
389.12631	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	389.1598
Annotation	Sphenostylin C
Peak:m/z	Relative Intensity
53.03949	3.1
55.01863	3.1
55.05511	2.5
58.99807	1.4
65.03947	4.6
67.05508	5.7
68.23809	1.4
68.99815	1.3
69.03425	4.1
69.07092	1.4
69.59051	8.6
70.06590	5.6
71.04993	1.9
72.08145	2.3
79.05495	3.6
81.03423	2.3
81.07055	3.6
84.08154	4.3
85.02927	2.9
86.09702	3.2
91.05493	4.4
93.07047	2.2
95.04981	16.2
95.08604	1.5
97.02888	1.9
98.20783	3.0
99.04474	1.6
100.11270	2.8
103.05508	3.4
105.07045	2.4
107.04954	3.8
107.08610	1.8
108.02065	1.5
109.06534	2.8
110.03677	1.6
110.07187	1.8
111.04436	5.5
115.05487	4.7
116.05375	1.3
117.07032	1.5
119.08611	1.9
121.02863	3.3
121.06507	1.5
121.10149	2.3
122.03668	2.6
123.04437	15.8
123.08134	1.5
125.06003	2.5
128.05415	1.2
128.06186	8.0
129.07019	26.5
131.04915	3.7
131.08557	4.7
133.02847	1.7
137.05980	25.8
139.03934	5.8
140.04694	4.9
141.07004	20.4
141.56100	1.4
143.04979	2.9
143.08586	2.8
144.05721	2.4
145.06476	7.4
149.05998	1.5
151.03900	12.7
153.05460	1.9
155.07028	4.6
157.06500	27.6
158.07266	13.3
159.08067	5.0
160.05142	1.6
161.06007	3.1
163.03972	2.3
163.07553	3.5
163.11102	1.8
165.05522	3.3
165.06903	2.0
167.07097	3.7
168.04202	2.9
169.05148	2.0
169.06462	6.4
170.07309	4.9
171.06551	3.3
171.07921	1.9
172.05241	2.9
173.06023	10.4
174.06752	10.8
175.07529	8.9
177.05493	2.0
181.05020	5.7
182.15477	1.6
183.06548	34.3
183.08081	3.1
186.06781	26.5
187.05888	2.4
187.07559	37.0
188.08324	22.2
189.09122	65.2
197.08090	1.7
201.09119	76.4
202.09729	2.8
203.10686	3.7
209.07976	2.5
218.07330	2.1
219.08055	5.8
219.10020	2.3
221.06070	1.6
233.09767	1.9
236.08421	2.5
237.09062	1.8
247.07622	8.8
248.08250	2.5
249.09129	2.2
251.10570	1.9
261.09183	3.9
262.09903	1.7
263.07169	1.9
264.07867	8.6
275.07010	8.6
277.08609	4.2
278.09317	5.1
279.10266	11.0
289.08725	2.3
291.10312	1.5
292.07278	4.2
293.11795	2.7
306.08936	3.0
307.09628	29.7
309.07480	2.9
309.11179	3.2
321.11255	19.0
339.12283	19.9
371.14911	100.0
389.16162	6.4
402.87561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1595
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.74443	1.5
53.03934	3.0
53.81057	1.5
55.01595	2.2
55.01872	38.2
55.05519	2.3
65.03934	8.9
67.05512	8.0
69.03419	3.9
69.07046	2.9
70.06567	5.3
71.05000	2.2
71.52469	1.6
76.04462	1.4
76.85191	1.6
78.52673	1.5
79.05508	7.9
81.03403	3.3
81.07041	5.8
82.04201	3.1
83.08623	2.4
84.08167	2.9
85.02893	6.6
89.53393	1.8
91.05471	6.3
93.07030	5.2
94.04119	1.7
95.04977	5.1
95.08583	4.8
95.75050	1.5
96.76508	1.6
97.02885	2.6
97.06528	4.4
98.97585	1.7
100.11285	2.2
103.05468	11.1
105.07030	3.6
107.04929	7.0
107.08620	4.0
109.06538	1.7
109.10135	3.5
110.03673	4.5
111.04430	2.8
117.07012	3.9
119.08565	5.0
121.06506	6.4
121.10091	3.5
122.03675	2.9
123.04443	8.7
125.06026	3.0
125.09693	1.9
129.07001	8.8
131.04936	19.3
131.08603	3.2
133.10100	2.5
135.04387	1.7
137.05988	31.4
138.03120	4.0
139.03976	2.7
141.43848	1.7
142.02603	3.3
145.06511	3.3
145.10071	1.8
147.04393	1.7
149.06030	8.2
151.03896	2.2
152.04646	1.7
153.05492	3.5
157.06496	7.1
157.10118	1.8
159.04451	2.8
161.05997	5.4
163.07536	7.4
165.05478	1.8
167.07054	22.2
171.06549	3.2
173.05849	1.6
174.06752	3.8
175.07478	11.2
177.05476	38.4
177.09074	2.2
181.04964	100.0
183.06548	2.5
187.07570	2.3
189.09091	9.0
191.07001	2.4
205.08757	2.0
209.06085	3.0
209.08090	59.8
217.08606	6.4
219.08168	2.4
219.10121	4.6
221.09390	2.0
234.06848	3.8
235.09625	3.5
247.07594	2.2
249.09128	4.4
253.08653	2.1
261.09167	4.4
277.08661	7.8
278.09412	2.5
285.11160	2.8
289.39041	1.7
293.11606	3.6
309.11142	3.8
311.13144	1.9
321.11075	3.9
327.12021	3.2
339.12286	9.6
341.13989	2.3
371.14948	14.0
389.15924	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
55.01869	7.2
55.05500	13.2
57.07064	3.8
67.05503	49.4
69.03419	5.6
69.07067	37.7
69.23170	22.0
69.23592	16.4
71.04609	5.8
71.04994	100.0
71.96853	3.8
79.05493	31.6
81.07063	80.6
83.08631	4.8
83.46690	4.0
85.06526	12.2
89.06004	11.1
91.05487	30.3
93.07044	47.2
95.04971	5.6
95.08606	42.1
97.06556	20.9
99.08073	6.2
105.07037	26.7
107.08599	36.6
109.06531	11.6
109.10143	19.0
117.07023	12.2
119.08574	27.8
121.10120	13.1
125.09640	6.0
131.08553	11.3
133.08578	7.2
133.10153	26.3
135.07999	5.5
135.11728	25.3
137.09628	5.2
141.09044	4.1
145.10135	12.0
146.57367	4.2
147.11676	9.8
149.09621	11.3
149.13254	15.6
151.11172	5.8
159.11719	42.3
161.13222	9.5
163.11140	6.8
173.13252	10.1
177.12732	43.4
187.13223	5.7
189.12711	4.1
192.99681	4.0
201.14891	4.1
203.12843	6.7
209.15331	13.8
229.19633	4.6
239.17772	4.0
241.17943	84.3
257.18863	7.0
275.20059	43.8
289.21646	19.4
299.09207	3.8
307.22644	21.8
321.24197	19.9
321.96667	4.1
388.34235	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	388.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03979	38.2
67.05502	69.4
71.52891	34.3
79.05496	64.3
81.07062	100.0
93.07052	70.4
95.08646	40.9
99.92946	34.2
105.07010	90.9
107.08611	45.6
117.06995	44.6
119.08587	69.7
121.10143	57.7
125.08094	34.8
133.08603	39.8
133.10121	47.3
153.40787	37.2
219.57986	38.0
256.32254	37.2
307.23019	38.0
320.91095	40.2
333.70657	37.4
388.21603	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	22.7
57.07085	7.6
59.24592	6.1
67.05215	8.0
67.05512	66.4
69.03436	9.4
69.07070	38.3
70.06574	8.1
71.04999	100.0
71.53049	7.7
79.05485	40.9
81.07055	79.9
83.08619	9.6
85.06551	9.8
89.06020	14.2
91.05482	37.7
93.07056	62.3
95.04983	8.7
95.08613	47.5
97.06514	22.1
97.10193	7.4
99.08085	8.9
105.07024	39.5
107.08578	36.0
109.06514	13.1
109.10169	39.6
111.08054	9.3
117.07024	19.9
119.08573	29.7
121.03141	6.2
121.06445	9.0
121.10143	20.6
123.08018	10.4
130.82738	7.2
131.08575	23.5
132.86945	7.3
133.08615	12.5
133.10130	36.2
135.08084	8.3
135.11682	24.9
137.13191	7.2
145.10135	13.8
147.11652	12.7
149.09589	17.8
149.13257	19.5
151.11153	8.1
159.11696	45.8
161.13301	9.6
162.59618	7.3
163.11197	7.5
173.11729	19.0
173.13150	9.1
177.12729	50.8
187.13286	20.1
209.15384	19.0
227.16463	9.3
232.10835	7.6
239.18021	11.8
241.17970	92.9
244.50970	7.2
257.19073	15.4
275.20126	58.9
289.21609	18.1
307.22699	18.3
321.24213	28.2
339.03592	7.6
388.38046	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	388.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03979	38.2
67.05502	69.4
71.52891	34.3
79.05496	64.3
81.07062	100.0
93.07052	70.4
95.08646	40.9
99.92946	34.2
105.07010	90.9
107.08611	45.6
117.06995	44.6
119.08587	69.7
121.10143	57.7
125.08094	34.8
133.08603	39.8
133.10121	47.3
153.40787	37.2
219.57986	38.0
256.32254	37.2
307.23019	38.0
320.91095	40.2
333.70657	37.4
388.21603	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
55.05502	7.0
57.03439	2.7
57.07065	2.1
59.04990	1.9
61.02911	2.8
62.00319	1.6
65.03927	2.0
67.05495	5.7
69.03431	5.1
69.07069	23.9
70.06579	5.5
71.04989	7.1
71.52505	3.2
79.05495	6.3
81.03436	3.0
81.07056	6.2
83.08605	7.6
84.08136	4.0
85.02903	10.9
85.06541	8.4
86.09746	1.9
88.11327	2.1
89.06027	2.2
91.05486	13.9
93.06480	3.2
93.07044	41.1
93.40029	1.9
95.04983	4.8
95.08611	8.5
97.02845	3.2
97.06504	4.3
99.04452	3.0
103.05470	2.7
105.07045	22.6
107.04947	2.1
107.08598	59.8
109.06555	2.8
109.10146	7.9
117.07041	3.4
119.06077	2.0
119.08582	18.0
120.08060	2.3
121.10151	56.0
123.08066	3.4
127.03920	6.3
131.04926	2.6
131.08578	23.4
133.10138	96.7
135.08047	6.9
135.11685	6.9
135.61447	1.7
137.05995	2.6
137.09572	2.5
145.04935	5.2
145.10117	6.3
147.11652	4.0
149.09656	2.3
149.13293	3.7
158.10884	3.7
161.13263	1.8
163.14841	24.5
167.07063	2.7
173.13272	58.4
175.07616	2.0
177.05443	1.9
181.04916	7.0
190.96965	2.1
191.14314	100.0
209.08159	4.3
209.15312	2.9
215.07393	2.0
215.09038	9.0
226.18059	9.4
233.10231	6.7
260.52963	1.9
353.19534	5.5
389.15918	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37587	0.6
53.03930	1.0
55.05497	2.0
56.05011	0.7
56.70161	0.5
57.07066	1.0
64.25533	0.5
65.03917	0.8
67.05486	2.4
67.75533	0.5
68.05022	1.9
69.03426	2.8
69.07053	2.3
70.06576	2.0
71.52079	0.8
71.52457	0.6
72.08168	1.0
79.05495	5.5
81.03415	0.7
81.07059	10.6
82.06581	0.6
83.08613	0.7
84.04510	7.5
84.08125	2.0
85.02912	3.2
86.06027	1.0
86.09701	3.0
91.05486	9.2
93.07042	4.7
94.06556	1.3
94.40714	0.5
95.04974	1.3
95.08620	2.6
96.04479	1.1
97.06523	1.1
98.06027	0.9
99.04444	1.6
102.05529	0.6
103.05506	0.6
105.07030	12.3
107.08593	11.3
109.06511	1.4
109.10146	1.4
114.05543	4.9
115.05422	0.7
116.01678	2.5
116.06236	1.4
117.07003	4.3
119.08589	12.0
119.69878	0.6
121.06520	1.3
121.10152	12.8
122.06767	0.8
123.08051	0.8
124.07632	0.7
124.11231	0.7
127.03879	0.8
128.01285	0.6
128.06177	1.2
129.07021	4.6
129.92526	0.5
130.05017	4.6
130.07780	2.0
131.08571	19.9
133.10153	5.4
135.08040	3.7
135.11630	1.1
136.11180	1.5
137.09679	0.6
140.07076	0.8
142.03209	1.9
142.05005	7.7
143.08563	8.4
144.09325	3.7
145.04965	1.2
145.10127	14.6
147.11684	7.2
149.09598	1.8
149.13260	8.2
156.06615	0.6
156.09393	0.7
157.10110	0.7
158.10910	11.1
162.02179	0.6
163.03928	1.1
164.04208	0.5
168.06607	2.4
170.02805	0.6
171.11674	0.7
173.13274	21.8
175.14827	7.7
181.05022	0.5
191.14313	100.0
192.14650	1.0
193.15823	0.6
193.73618	0.5
209.15384	2.3
210.11259	18.7
227.16417	1.3
239.82613	0.6
245.05905	1.5
259.11142	0.8
291.06558	0.7
313.12170	1.0
388.15567	4.4
388.23538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36893	3.1
55.05494	4.1
56.05022	6.3
58.99594	3.5
60.04525	4.0
60.87434	3.0
67.05478	3.3
69.03419	6.4
69.07058	9.5
70.06597	51.8
71.04998	3.0
71.51641	5.3
72.08148	13.5
74.06100	4.8
75.34463	3.0
76.04004	3.8
81.07023	6.2
83.04965	3.6
84.04510	17.7
84.08149	18.7
85.02899	8.7
86.09707	74.0
87.04464	3.2
87.10053	7.2
88.03999	5.0
91.05495	15.3
93.07060	3.7
95.08599	5.2
97.06519	4.1
100.53178	3.2
105.07004	7.0
107.04944	4.8
109.02863	2.9
110.07185	5.2
115.08650	4.7
119.04947	24.5
119.08572	4.8
120.08099	9.9
121.10108	5.2
123.08073	3.6
127.03903	17.3
129.10234	7.7
130.04994	4.6
131.08459	3.0
133.10115	5.9
136.07568	5.3
145.04935	3.4
147.04420	100.0
148.07532	6.8
149.02333	24.1
151.03934	4.5
162.02267	3.5
163.03905	13.7
166.08684	4.3
168.14276	3.1
173.13197	3.6
177.05386	2.9
179.04884	5.0
181.04900	9.0
183.14903	6.0
191.14401	4.9
193.05009	3.3
194.08122	6.9
199.18120	7.5
226.10785	11.1
226.15237	10.9
233.05690	4.9
250.08771	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	388.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89207	0.5
65.03933	0.6
69.76466	1.8
69.76869	0.8
76.20708	0.4
83.77960	0.4
84.08137	0.7
86.09712	0.7
91.05487	10.9
119.04956	29.0
130.15927	1.4
142.04634	0.4
147.04424	100.0
148.04774	0.8
163.03894	1.3
164.04233	2.1
172.08284	0.5
175.68324	0.5
369.74390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03576	0.4
53.73007	0.4
63.22423	0.3
65.03931	0.9
70.03288	1.7
70.06596	1.8
72.08154	0.4
74.52936	0.4
77.42147	0.4
84.04501	0.6
84.08124	1.0
84.34666	0.3
86.09702	2.1
89.06019	0.6
91.05484	10.2
119.04944	26.5
120.08113	0.4
127.03915	0.6
133.08650	0.6
147.04411	100.0
148.04720	0.9
260.39441	0.4
345.60452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
60.04519	0.6
65.03935	1.2
70.06599	3.6
70.79553	0.8
70.79902	0.6
72.08163	3.6
84.04494	1.1
84.08136	2.0
85.02924	0.4
86.06067	0.7
86.09689	1.9
89.03899	0.4
91.05487	12.3
98.97591	1.0
106.24412	0.4
108.04501	0.5
118.10165	0.4
119.04952	26.5
120.05279	0.5
120.08108	1.7
120.08921	0.5
121.68024	0.4
129.10257	0.9
136.07603	0.5
145.02853	0.5
147.04419	100.0
148.04752	1.2
163.03920	0.9
168.10213	1.4
173.05974	1.0
177.05540	0.4
180.27655	0.4
191.06961	0.7
191.14304	0.5
196.09735	1.4
209.04478	0.8
219.01826	0.6
230.01506	0.4
279.07626	1.4
321.08499	1.1
327.13794	0.4
363.09637	0.6
389.14145	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.5
57.41948	2.3
59.04982	3.9
65.03945	3.7
69.07061	2.5
70.06585	11.2
70.69322	4.3
72.08160	12.1
84.04503	3.7
84.08138	7.3
85.02910	3.8
86.09705	10.8
88.03972	2.9
89.06020	4.2
91.05489	8.2
110.07147	2.4
119.04935	21.5
128.07137	4.1
129.10229	7.7
130.04990	2.7
133.02829	4.7
134.09793	2.3
136.04863	3.2
144.36566	2.2
147.04419	100.0
162.11292	3.7
163.03928	11.3
164.04227	7.8
168.73569	2.4
173.54175	2.3
179.03416	9.7
181.05023	13.5
182.05292	3.3
203.57465	2.3
207.42415	2.2
209.13890	6.8
300.78583	2.4
305.37076	2.3
388.12134	3.4
388.16556	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	387.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.1
56.05013	0.8
70.06596	5.2
71.51743	1.1
72.08148	2.9
73.02934	0.8
81.03452	0.7
83.08636	3.6
84.04477	0.7
84.08128	2.4
85.02895	1.9
86.09707	3.5
89.03906	3.7
91.05487	1.3
97.02921	0.8
100.11262	56.7
101.23392	0.7
107.04947	1.2
110.07218	0.9
116.07094	0.9
117.03410	3.3
117.07047	1.6
119.04932	1.9
120.08115	1.1
127.03947	0.9
129.10197	1.1
133.04915	0.9
135.04433	5.8
136.04712	0.7
136.07587	0.9
139.19443	0.7
141.07039	0.7
144.08090	100.0
145.02872	4.3
146.03209	0.8
146.29141	0.7
147.04431	4.6
161.10750	15.4
163.03914	25.5
164.04240	5.1
177.05487	2.4
181.04968	1.1
209.16518	12.2
227.17549	66.7
301.12506	1.1
343.13373	2.5
387.12057	6.2
387.16461	3.1
387.22443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03945	1.4
55.01869	0.5
55.05508	1.1
57.03428	1.6
61.02923	1.2
67.05490	1.5
69.03423	3.9
70.06577	0.7
71.04987	1.1
71.25455	0.6
71.25802	1.1
75.97471	0.5
76.02254	0.6
79.05502	1.4
81.03402	1.5
81.07074	1.5
83.04977	3.9
85.02915	11.8
86.09692	0.6
89.02534	0.5
91.03972	0.7
91.05492	1.4
93.07073	2.7
95.04973	2.5
95.08617	3.2
97.02889	3.8
97.06534	1.4
99.04454	1.5
99.08098	1.5
102.01876	0.5
105.07023	1.6
107.08582	2.1
109.02896	0.9
109.06519	5.7
109.10233	0.6
111.04445	2.4
119.08603	2.3
121.06499	2.5
121.10136	4.7
123.08073	100.0
124.08463	1.0
125.09618	1.1
127.03952	3.5
131.08588	0.5
132.60608	0.5
133.10156	1.6
135.11736	1.7
137.05997	2.5
137.09566	0.6
145.04976	1.8
145.10188	1.3
147.11729	1.4
149.09633	4.2
151.07524	0.8
151.11192	3.5
153.79617	0.5
161.13271	0.8
163.03923	1.4
163.11205	1.9
164.04265	1.7
165.12813	0.9
167.10687	2.8
169.08669	0.6
181.04976	2.3
181.12248	6.4
189.12744	1.5
193.85847	0.6
207.13826	6.7
225.14861	14.5
254.21246	0.5
333.16415	0.5
387.14517	1.6
387.23636	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.39345	2.5
55.01883	3.5
55.05519	3.4
57.03428	4.1
59.04996	10.6
65.03946	5.3
67.05498	8.1
69.03443	12.4
69.07065	4.4
69.33688	18.9
70.06592	10.2
72.08159	5.1
74.06136	2.7
79.05483	4.5
81.03417	4.5
81.07068	6.8
83.01324	3.2
83.04977	3.8
83.43665	2.4
84.04491	2.7
84.08144	8.1
85.02921	17.1
85.68171	2.1
86.09705	16.5
91.05476	7.6
93.07045	8.8
95.04983	5.3
95.08615	12.4
96.55403	2.1
97.02905	5.2
97.06554	4.4
98.21458	4.3
99.04462	4.5
103.03915	2.3
105.07056	15.8
107.08605	26.8
109.02844	3.8
109.06532	12.7
109.10173	9.7
110.07162	4.4
110.48521	2.2
119.08601	14.3
120.08152	2.4
121.06559	4.9
121.10143	6.3
123.08082	26.4
123.11689	2.9
125.09641	2.6
127.03963	4.7
129.10240	4.0
131.08557	4.2
133.06549	4.2
133.10149	7.7
135.08090	4.1
135.11679	6.3
137.05997	6.0
137.09631	72.7
139.11151	3.4
142.02611	2.6
145.10136	3.5
147.08084	4.6
147.11717	10.4
149.09627	13.0
151.07544	8.6
153.09108	3.9
156.09367	3.1
157.13405	2.8
159.11792	2.6
161.13312	13.2
163.11191	3.1
165.12822	3.3
171.06577	3.7
171.11624	3.3
177.05449	2.9
177.12787	3.1
181.00598	5.3
181.04971	100.0
189.12743	27.1
207.13818	55.2
225.14886	19.8
267.07837	2.8
281.09216	3.6
309.08792	5.1
327.09793	3.7
355.09369	3.0
387.09131	8.7
387.15070	5.0
387.19879	17.4
387.24210	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03944	5.1
55.01857	6.2
55.05510	28.2
57.03428	6.3
61.02915	6.0
61.04039	7.8
65.03922	3.5
67.05492	6.2
69.03431	32.7
69.07071	5.2
70.06583	13.5
71.04984	8.6
71.51300	2.0
72.08152	5.5
73.02911	8.5
79.05481	6.4
81.03416	12.6
81.07047	8.1
83.04980	50.5
84.04485	4.6
84.08144	7.1
85.02904	57.9
85.06538	3.1
86.03191	2.2
86.09708	11.2
87.04474	12.1
89.03932	3.5
91.05481	9.1
93.07021	6.0
95.04964	21.5
95.08588	5.6
97.02882	24.2
97.06526	3.4
98.03225	1.9
99.04462	17.0
101.02444	2.2
105.07044	6.7
107.08595	16.5
109.02868	8.6
109.06516	6.5
109.10151	8.7
111.08072	5.0
115.03881	4.2
116.07078	2.0
117.03395	6.0
117.05491	1.6
119.04921	10.1
119.08549	3.5
120.17606	1.6
121.10157	8.2
123.04459	3.2
123.08069	21.3
123.11721	3.7
125.09626	15.1
127.03905	17.6
129.10245	4.3
130.06528	2.0
130.15874	1.8
133.04996	3.8
133.10133	2.1
135.04411	8.0
135.08070	2.3
137.05925	2.1
139.11169	4.8
145.02850	5.9
145.04953	9.2
147.04419	37.2
147.08008	2.1
147.11687	7.0
149.09625	17.6
151.07605	5.4
152.08319	2.4
153.09084	5.5
161.13277	2.9
163.03891	38.9
163.11192	4.0
165.12737	9.6
167.07002	3.2
167.10651	5.8
167.34755	2.1
181.00499	2.2
181.04889	12.4
185.07983	2.0
189.12671	4.9
197.11748	5.5
207.06549	2.8
207.13782	17.1
210.01657	2.7
224.06429	2.4
225.03839	2.8
225.11205	3.8
225.14845	100.0
249.66765	1.9
348.58551	2.1
362.34161	2.2
387.12207	3.9
387.16226	30.7
387.20306	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	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01882	2.0
55.05515	4.0
57.03429	2.3
59.05004	12.7
67.05494	7.0
69.03413	2.7
69.07054	2.4
70.83092	4.2
70.83421	2.6
72.54271	1.7
79.05489	3.2
81.07049	4.0
85.02895	5.8
86.09679	3.9
87.59990	2.0
91.05460	6.4
93.07035	8.6
95.04980	5.7
95.08591	6.2
97.02891	2.4
101.06003	5.0
105.07072	13.3
107.08607	26.2
109.06500	12.3
109.10126	9.2
117.07016	2.2
119.08546	13.5
121.06493	2.0
121.10108	5.0
123.08080	18.5
133.10176	2.8
135.08064	6.9
135.11719	17.6
137.09621	100.0
145.04984	2.3
147.04349	2.0
147.11685	5.4
149.09612	5.6
151.07539	2.9
153.09111	5.2
161.13254	13.7
171.11641	3.7
177.12714	2.4
178.05768	2.7
189.12701	10.3
207.13795	17.2
225.14841	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	387.2015
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.05493	3.8
56.14066	2.3
59.60506	2.4
66.18861	2.7
67.05510	22.7
70.09619	5.3
70.09991	11.1
74.22778	2.6
81.07044	3.2
83.79109	2.5
85.02905	4.8
85.06547	14.6
89.87305	2.7
91.05488	3.5
92.66280	3.1
92.86797	3.2
93.07062	3.9
94.59881	2.8
95.04986	2.8
95.08616	100.0
98.21421	3.7
102.94999	2.8
105.07043	3.8
107.08603	9.4
109.06510	4.1
113.05994	12.6
119.08566	12.5
121.10160	7.0
123.08086	32.9
123.11678	3.7
133.10101	3.9
135.11729	13.8
137.09610	5.1
147.11687	6.6
149.09618	37.1
161.13293	13.9
163.11162	10.2
165.12796	8.1
179.14372	4.5
189.12758	17.5
194.64314	3.1
202.29202	3.0
207.13812	70.6
215.13950	2.7
220.71344	2.6
232.70270	3.0
376.94110	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	387.2013
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03947	3.5
54.76450	2.6
55.05501	6.1
56.05043	3.1
57.07061	2.9
59.04999	5.5
65.03930	3.2
67.05499	15.7
69.03431	62.9
69.07061	10.0
70.76221	3.6
70.76543	6.7
71.09362	3.0
75.12935	2.3
76.84846	3.1
77.90895	2.7
79.05491	10.6
81.03415	7.8
81.07049	24.6
83.04987	8.6
84.08146	25.6
85.02916	17.4
86.09714	24.6
86.51470	2.6
88.03979	3.5
91.05485	8.8
92.99330	2.5
93.07047	11.8
93.41488	2.6
95.04977	10.9
95.08623	15.9
97.02875	4.9
97.06549	6.8
103.05374	2.5
105.07025	26.2
107.08582	9.9
109.02879	2.9
109.06488	17.9
109.10150	6.0
110.07250	4.7
119.04931	4.0
119.08602	15.7
121.10144	18.6
123.04383	12.9
123.08071	37.9
123.11726	2.7
125.09634	3.1
127.03883	5.5
129.10197	6.5
133.06494	9.3
133.10139	46.7
135.08121	4.9
135.11752	3.5
136.07579	8.4
137.06021	17.1
137.09612	29.1
139.11191	40.4
143.11833	3.0
145.05005	3.4
145.10106	4.1
147.04424	5.5
147.08040	6.1
147.11682	24.3
149.09637	5.9
151.07538	8.7
156.09381	3.6
159.11694	5.1
161.13251	11.3
163.11186	11.1
165.12755	3.5
167.06992	3.2
167.10646	4.6
169.08644	4.5
171.11647	10.6
174.10390	8.9
181.04980	21.9
189.12732	43.7
207.13812	100.0
225.14857	84.3
281.09143	5.0
309.08548	4.5
387.14908	4.7
387.24713	4.1
402.55591	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
53.03949	0.7
55.01863	0.1
55.05502	0.4
57.03434	0.2
61.73547	0.1
65.03923	0.2
67.05500	0.5
69.03424	1.1
69.07057	0.2
71.04984	0.2
71.52749	0.2
77.03929	0.3
79.05495	4.3
81.03425	0.7
81.07075	0.6
83.04982	0.4
85.02899	0.3
87.04473	0.1
91.05473	0.8
93.07045	1.6
95.04980	1.0
95.08585	0.3
97.02925	0.1
97.06530	0.2
103.05470	2.5
103.06150	0.2
105.07033	100.0
106.07378	0.8
107.04967	0.2
107.08585	0.2
109.10143	0.3
110.06712	0.1
110.10541	0.1
111.04408	0.2
119.04951	1.6
119.08646	0.1
121.06505	1.8
121.10161	0.3
129.05501	0.1
131.08556	0.2
133.10178	0.2
143.08598	0.2
145.10156	0.2
147.06535	0.1
147.07982	0.1
147.11697	0.1
159.11690	0.2
163.11244	0.1
171.11656	0.2
295.20764	0.2
387.25690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03934	1.2
55.01877	1.4
55.05507	0.9
56.98738	0.6
57.56937	0.6
58.09580	0.6
58.30726	0.8
65.03941	2.6
67.05503	2.6
69.03428	1.3
69.07086	1.3
71.52568	0.9
79.05491	1.8
81.03432	0.8
81.07055	2.3
82.04217	0.8
83.08608	0.9
85.02911	1.5
85.06558	0.8
91.05487	2.6
93.07060	1.1
94.04178	1.5
95.04969	1.4
95.08603	1.4
97.06517	1.2
101.05969	0.7
103.05487	4.5
105.07041	1.5
107.04965	1.6
109.06532	1.0
109.10198	0.9
110.03712	1.6
115.05476	1.6
117.07036	2.3
118.04185	1.1
119.08572	1.3
121.10114	1.0
122.03664	8.4
125.06005	1.6
129.07086	0.8
131.04927	3.7
133.02855	0.7
133.06494	1.1
133.10106	0.8
135.08054	1.0
137.05988	100.0
139.03899	0.8
143.04919	1.7
144.12581	0.7
145.06502	2.8
148.05182	1.7
151.03909	13.7
151.04944	0.8
153.05518	1.4
160.80630	0.7
161.05933	1.3
163.07567	3.5
167.07045	10.7
171.06572	1.7
173.06042	2.7
175.07516	1.5
181.04970	56.5
188.30420	0.7
189.00629	0.9
191.07048	15.2
193.08627	0.7
195.06584	0.9
203.07161	1.6
205.08607	2.8
207.06583	1.0
209.08138	0.9
233.08096	1.1
235.09671	3.7
270.39072	0.8
293.08167	0.8
319.09827	1.0
321.84241	0.8
332.02103	0.9
337.10678	0.9
341.13797	1.4
351.12384	3.1
355.11841	1.2
357.13373	11.0
369.13211	2.3
387.14368	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03946	0.6
55.01862	1.2
55.05507	0.9
57.03426	0.5
58.52717	0.5
65.03941	1.2
67.05488	1.7
69.03424	0.6
69.07059	0.8
70.02386	0.8
70.02721	1.9
70.04529	0.4
70.06586	0.6
73.45753	0.5
79.05490	2.0
81.07043	1.8
83.08610	0.9
85.02895	1.0
91.05489	2.7
93.07070	1.1
94.04194	2.4
95.04964	1.3
95.08615	1.0
97.06529	0.7
100.11215	0.5
103.05470	5.9
103.06587	0.5
105.07022	1.8
107.04954	1.4
107.08562	0.5
109.02936	0.5
109.06476	0.7
109.10191	0.5
110.01561	0.4
111.04415	0.7
115.05464	2.8
117.07019	1.8
118.04152	1.6
119.04957	0.7
119.08570	0.8
121.06506	0.6
121.10134	0.8
122.03650	6.8
123.04392	0.8
123.08044	0.5
125.05999	0.8
131.04924	4.7
131.08592	0.5
132.05739	0.7
133.06499	1.4
133.10114	0.5
135.08043	0.6
137.05980	100.0
139.03891	0.5
142.02649	0.6
143.04964	3.4
145.06487	2.6
146.03624	0.5
147.08038	0.9
148.05199	3.9
149.05957	0.8
151.03915	17.3
151.05013	1.4
155.06082	0.7
161.05998	1.0
163.07536	6.5
165.05486	0.5
167.07033	10.3
171.06563	0.7
173.05969	3.5
175.07574	1.1
176.04750	0.5
181.04965	19.5
187.07578	0.5
191.07033	23.2
203.07108	1.8
205.08595	2.6
209.08081	0.7
210.14989	0.5
233.08060	1.4
235.09599	2.8
248.02582	0.5
263.09143	0.6
265.08826	0.5
273.00760	0.5
337.10757	0.5
351.12137	0.5
355.11987	1.6
357.13312	12.4
387.14395	41.5
387.25067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63604	2.2
59.75999	1.9
70.06590	10.4
71.08432	4.6
72.08144	3.4
84.08132	3.0
86.09701	3.4
89.03911	17.6
91.05492	2.4
95.34603	2.1
107.04953	2.6
116.07041	2.0
117.03386	34.9
119.04931	2.1
135.04425	19.8
145.02858	59.3
146.03320	2.0
147.04326	2.3
147.13171	1.9
149.05986	8.0
155.67383	1.9
161.53145	2.2
163.03908	100.0
177.05473	75.5
178.05809	3.7
179.03291	2.3
181.04974	3.4
191.63095	1.9
209.63666	2.1
225.03970	5.3
387.16415	4.6
387.26901	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.05508	1.1
56.05049	0.7
56.60635	0.6
63.02370	0.9
67.05533	0.6
69.03413	1.3
69.07057	0.7
69.73009	1.3
69.73429	2.5
70.06585	3.8
71.04969	0.6
72.08151	4.0
74.06067	1.2
78.91488	0.5
79.05492	2.9
81.03423	1.8
81.07046	2.0
83.04980	0.7
84.04503	0.9
84.08128	2.1
85.02888	2.3
86.09710	6.2
89.03918	10.4
91.05476	2.1
94.19180	0.5
95.04952	0.9
95.08610	1.3
98.48208	0.6
99.04445	1.6
102.05549	1.3
103.03946	1.6
105.07029	1.1
107.04964	3.0
107.08601	0.9
109.02892	1.2
117.03381	12.4
119.04932	3.1
120.06555	1.1
120.08086	0.8
121.06444	0.7
127.03920	2.4
127.28090	0.6
129.10265	1.3
130.06502	0.7
135.04417	23.2
135.11726	0.7
145.02856	13.5
145.04762	0.6
147.04417	11.4
159.09125	0.9
163.03911	100.0
164.04340	1.2
181.04990	1.5
185.16473	0.9
207.13890	1.6
210.67267	0.7
225.03972	1.0
225.14734	0.6
230.53178	0.6
387.16373	1.2
392.73209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51548	0.7
63.02359	0.8
68.06580	0.7
70.09544	1.9
70.09939	1.5
78.26240	0.8
79.05487	1.4
89.03418	1.0
89.03921	10.6
89.63623	0.7
91.05495	0.9
94.25254	0.7
105.06990	2.0
107.04939	2.4
112.25840	0.7
117.03395	11.2
123.05567	5.0
135.04431	16.1
145.02855	14.7
145.03993	0.8
163.03917	100.0
164.04227	1.8
177.05472	7.8
181.05005	1.4
197.35567	0.7
243.31306	0.7
255.09804	2.1
311.07053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21478	0.5
63.02367	0.7
70.06609	0.7
71.48198	1.0
73.02924	0.5
79.05494	1.7
80.45714	0.6
86.09663	0.5
86.17706	0.5
89.03918	10.3
102.34158	0.6
106.34901	0.5
107.04977	2.9
111.31219	0.5
117.03392	12.8
135.03409	1.1
135.04425	18.8
145.02866	14.5
145.03983	0.6
147.04391	0.6
163.03918	100.0
164.04298	1.0
177.05463	2.3
181.04956	0.5
209.68242	0.5
359.26773	0.6
387.16342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	46.4
55.91125	23.0
64.81831	23.8
67.05501	70.5
70.46927	78.4
75.81503	23.5
79.05492	62.5
81.07056	100.0
83.05003	40.3
83.51908	29.3
91.05472	34.4
93.07050	91.4
94.07346	36.3
95.08615	73.8
102.27655	23.6
105.07094	68.8
107.08614	56.7
109.10169	39.3
117.19090	24.4
119.08572	46.3
120.08878	40.3
121.10160	51.6
123.08086	29.1
133.10149	36.2
160.12004	29.7
291.19794	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75625	60.2
58.28079	55.4
58.54434	52.3
69.07043	54.1
71.52431	51.3
72.38994	51.4
79.64636	54.6
81.07057	60.8
88.42944	49.7
98.68325	52.8
105.06991	52.2
107.08611	84.7
109.10172	60.6
119.08614	70.1
121.10159	88.7
126.75166	49.3
136.51910	52.3
137.82547	59.9
174.10153	49.9
291.19473	100.0
349.99435	58.6
386.23532	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54928	0.3
61.74279	0.3
63.02388	0.3
69.07068	0.3
69.46467	1.8
70.06586	0.9
71.05028	0.3
79.05492	1.0
86.09707	1.2
89.03918	5.1
94.30833	0.3
98.21592	0.3
107.04967	1.5
109.19633	0.3
114.19044	0.3
117.03386	6.8
119.08653	0.3
120.08132	0.3
135.04419	15.6
145.02849	11.6
145.03984	0.6
162.69229	0.3
163.03908	100.0
164.04266	0.8
202.17429	0.3
239.45567	0.3
253.09425	0.3
407.48831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.01877	9.9
55.05514	54.7
57.03437	7.3
57.62051	1.1
64.68718	1.2
65.03938	1.9
67.05511	37.5
69.03429	3.8
69.07071	18.6
70.69704	2.6
71.04997	5.4
79.05500	34.8
81.03442	7.8
81.07062	28.9
83.04992	16.1
83.08624	33.8
85.02917	4.4
85.06541	1.9
91.05485	20.7
93.07047	39.8
95.04977	100.0
95.08620	19.5
97.06545	5.7
97.10178	25.5
99.04465	5.8
99.08099	2.0
105.07042	25.5
107.04980	11.3
107.07884	2.1
107.08604	40.1
109.06520	7.6
109.10155	14.2
111.04449	19.7
111.08085	8.5
117.07052	9.3
119.08593	20.0
121.06525	8.8
121.10151	18.1
123.08074	7.1
123.11745	2.1
125.05985	2.1
125.09641	23.7
129.07030	3.7
130.07762	1.3
131.08582	13.8
133.10153	14.4
135.07141	1.1
135.08006	6.5
135.11714	9.8
137.09679	2.5
139.11171	2.6
143.08536	2.5
143.10690	1.5
145.10138	23.9
147.08052	7.1
147.11713	9.1
149.09630	42.8
151.11221	2.4
153.09154	2.6
153.12767	5.0
155.10744	1.2
157.10168	3.3
159.07994	1.7
159.11700	9.4
159.43799	1.1
161.09689	2.7
161.13245	3.0
163.11180	32.9
165.12798	2.2
169.10143	2.5
171.10170	3.7
171.11690	2.9
173.09528	1.4
173.11806	1.9
173.13310	3.2
175.11282	1.1
177.12813	5.4
181.12268	5.9
183.11743	1.6
187.11188	4.8
187.14900	1.2
189.11238	25.8
189.12762	1.6
191.10692	2.5
193.12267	3.5
197.13329	1.9
205.12257	7.4
211.13358	2.8
219.13737	1.4
222.06586	1.2
223.13306	74.8
227.12866	2.6
229.19609	2.7
237.14853	2.0
239.17970	3.3
247.20578	1.9
257.19016	12.6
271.57703	1.1
275.20081	91.7
276.20392	1.3
277.53613	1.3
283.15631	1.4
293.21115	82.6
294.21536	1.9
297.17203	1.6
349.23795	4.0
367.24814	71.2
367.42819	1.3
368.25330	1.2
385.22089	1.8
385.26114	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	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52060	1.8
53.03935	5.0
55.01871	12.9
55.05512	50.5
57.03427	13.3
58.66032	1.9
65.03926	2.7
67.05505	50.2
68.19603	1.7
69.03425	8.1
69.07064	18.2
70.06573	1.8
70.12707	3.9
70.13096	4.4
71.04983	6.6
71.08626	17.8
75.04467	2.2
79.05493	37.7
81.03423	16.4
81.06594	2.8
81.07057	43.9
83.04979	21.7
83.08620	34.8
84.08120	2.0
85.02911	4.0
85.06548	4.6
91.05482	27.8
93.07042	30.4
95.04969	39.2
95.08614	18.9
97.02888	2.1
97.06518	9.8
97.10176	30.3
98.21413	2.4
99.04449	5.2
99.08082	13.7
101.06010	3.3
105.07033	20.4
106.18098	1.8
107.04961	7.5
107.08599	27.8
109.06527	7.9
109.10177	16.3
111.04450	21.8
111.08052	12.1
113.09628	2.5
117.07029	8.1
119.08581	19.8
121.06508	5.9
121.10143	16.1
123.08053	4.9
123.11695	5.5
125.06004	3.6
125.09631	32.0
129.07010	5.0
131.00024	2.4
131.08562	13.1
133.06491	2.1
133.10132	9.2
135.08055	9.0
135.11693	12.7
135.32881	1.7
136.07594	4.0
137.09615	3.5
139.07626	2.3
139.11145	4.2
143.00067	2.9
143.08572	3.5
145.10164	15.8
147.04393	2.6
147.08113	5.7
147.11684	5.5
149.09619	14.6
149.13287	2.4
151.11220	3.1
153.09109	8.2
153.12750	8.5
155.08560	2.3
157.10158	5.9
158.99634	1.7
159.11688	9.0
161.13232	4.5
163.11183	40.2
165.12781	4.8
165.26848	1.8
167.10625	3.4
171.10196	3.2
171.15776	1.9
173.09641	3.3
174.98975	3.9
175.03851	9.3
175.11095	2.0
177.05516	2.4
177.12704	9.1
177.16307	1.9
181.12242	6.8
185.13266	2.5
187.03946	2.9
187.11281	2.3
189.00575	5.4
189.11215	39.6
189.12694	2.2
191.10667	7.5
191.14429	2.0
193.12282	5.9
195.13785	10.2
199.02534	2.3
205.12251	2.4
211.13290	2.2
215.06808	2.2
223.13333	16.3
227.12746	18.7
231.10255	3.1
243.10188	4.0
245.13911	3.1
247.20674	4.1
257.19049	5.6
259.09671	8.1
269.06726	3.5
275.20084	40.1
283.15405	3.5
293.21109	100.0
311.22086	4.6
349.23737	7.1
367.24796	37.2
385.21381	4.4
385.25815	25.8
385.31113	3.4
397.48532	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41188	1.1
53.03949	5.1
55.01876	10.2
55.05514	50.4
56.59568	1.1
57.03448	13.3
57.07082	1.9
61.02904	1.3
65.03934	2.8
67.05508	51.9
69.03426	3.9
69.07076	22.6
71.05009	5.9
71.08645	1.8
71.52296	1.5
73.02931	1.4
79.05499	48.7
81.03414	7.3
81.07060	57.6
82.64124	1.2
83.04985	18.6
83.08622	27.0
85.02900	6.5
85.06541	3.9
91.04902	2.4
91.05480	41.2
92.68791	1.1
93.03402	1.5
93.07050	47.1
95.04974	75.6
95.08612	29.4
97.02918	1.4
97.06541	8.3
97.10159	19.3
99.04473	6.2
99.08119	2.8
103.05430	2.0
105.07037	44.1
106.81770	1.2
107.04965	8.5
107.08603	40.4
109.06532	7.6
109.10157	17.6
111.04462	21.8
111.08086	9.8
113.01572	1.7
115.05511	1.2
117.07028	15.6
119.08588	37.1
119.25175	1.1
121.06541	8.9
121.10150	26.0
123.08081	9.0
123.11700	4.5
125.06020	2.2
125.09647	21.1
129.07040	6.2
131.08575	25.7
133.06552	1.8
133.10139	31.5
135.08070	8.3
135.11693	15.3
137.09641	3.5
141.06978	1.5
142.07726	1.3
143.08595	6.4
143.10645	1.7
145.10127	32.3
147.08067	5.3
147.11690	15.7
149.02388	4.1
149.09628	36.5
149.10767	2.6
149.13226	2.4
151.11200	4.2
153.09116	1.5
153.12772	3.3
155.06157	1.5
155.08560	4.1
157.10101	6.3
159.11729	15.8
161.09587	2.7
161.13301	4.6
163.11191	28.0
165.09131	1.5
165.12770	2.8
167.02722	1.3
167.10651	1.6
169.10117	4.2
169.12401	1.6
171.10196	1.9
171.11690	6.3
172.49352	1.4
173.09618	1.9
173.11880	2.2
173.13193	6.8
174.73337	1.1
175.11224	3.3
175.14984	1.2
177.12749	7.4
181.12257	4.0
181.75865	1.1
183.11841	2.9
185.13283	1.5
187.11160	5.3
189.11238	24.4
189.12775	1.6
191.14323	1.9
193.05003	3.2
193.12299	2.9
197.13315	3.0
205.12231	9.8
207.13770	2.2
211.13220	2.4
211.14967	1.7
223.13298	62.0
227.12828	2.8
229.19547	4.8
239.17946	4.8
247.20605	3.3
257.19061	17.1
275.20078	100.0
276.20416	2.3
277.77136	1.3
293.21133	79.9
297.17017	2.8
303.61465	1.4
311.17676	3.6
331.22650	5.2
349.23767	9.2
367.24829	52.7
385.09119	4.8
385.21411	42.1
385.25836	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40105	1.8
53.03952	2.5
55.01870	12.9
55.05515	55.7
57.03454	9.4
57.03672	1.7
59.04984	2.1
61.02916	2.2
67.05183	2.6
67.05511	38.4
69.03422	7.5
69.07074	24.6
69.25059	5.6
69.25470	10.2
71.04991	5.0
73.67422	1.6
74.98308	1.6
79.05499	36.3
81.03412	6.0
81.07060	39.9
83.04989	19.3
83.08625	36.8
85.02923	10.7
85.06553	3.5
87.04472	1.9
87.15923	1.8
91.03965	2.6
91.05495	25.5
93.06487	2.6
93.07052	39.8
95.04975	100.0
95.08620	19.6
97.02862	3.1
97.06561	8.5
97.07094	1.6
97.10184	22.9
99.04467	7.4
104.95381	1.9
105.07046	33.9
107.04957	10.2
107.08599	39.0
109.06515	9.7
109.10153	17.3
111.04462	23.0
111.08072	9.1
112.33845	1.8
113.06018	1.7
117.07020	10.9
119.08589	22.7
121.02860	1.9
121.06513	6.1
121.10156	23.8
123.08086	9.8
123.11744	2.5
125.09637	25.2
129.06996	4.0
131.08563	15.0
133.10138	14.7
135.08073	9.1
135.11711	12.7
139.11212	3.5
143.08563	2.7
145.10136	27.9
147.08064	3.8
147.11691	11.9
149.02354	26.9
149.09631	40.1
151.11150	1.9
153.09106	3.0
153.12740	4.3
157.10191	2.9
159.11728	11.1
161.13257	2.5
163.11200	35.1
165.12794	2.8
166.73466	1.8
169.10159	4.3
171.10219	1.8
171.11691	2.5
173.13258	4.4
177.12718	4.4
181.12224	4.8
187.11208	5.4
188.57883	1.8
189.11215	28.2
193.04987	23.5
193.12289	3.2
198.14662	1.8
199.11041	1.8
205.12276	9.0
211.13298	2.2
223.13304	88.9
227.12787	3.4
229.19501	4.4
239.17914	5.1
245.13904	2.9
257.19006	10.8
275.20081	98.9
293.21118	94.0
294.21414	1.9
311.17651	2.1
341.06564	3.7
349.23819	5.3
367.24841	67.8
385.09192	25.0
385.21478	5.4
385.25851	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	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01869	9.4
55.05513	34.4
57.03428	4.7
57.07067	5.2
67.05513	56.8
69.03425	4.9
69.07072	29.3
69.76194	18.4
71.05007	7.0
78.78328	3.0
79.05498	46.7
81.03420	6.0
81.07065	47.9
81.39275	3.4
83.04985	14.6
83.08616	33.5
85.06568	3.8
91.05486	48.9
91.48792	3.1
93.07050	48.3
94.87811	3.3
95.04979	31.8
95.08613	50.3
95.26884	3.1
95.51130	3.2
97.02959	4.8
97.06526	12.7
97.10178	8.4
99.08070	3.5
100.41418	3.4
105.07040	46.1
107.04967	16.8
107.08607	34.1
109.06518	11.3
109.10175	20.4
111.04466	3.8
111.08092	11.1
117.07047	17.4
119.08595	44.1
121.06512	12.7
121.10162	22.4
123.08073	12.2
125.09639	9.8
129.07002	5.4
131.08565	23.7
133.10133	36.9
135.08063	11.2
135.11705	18.3
137.09656	7.7
139.11154	4.3
143.08575	8.0
145.10147	31.7
147.08044	5.2
147.11702	15.3
149.09650	27.9
149.13345	4.0
151.11197	10.6
157.10176	6.7
159.11714	14.5
161.09673	6.4
161.13287	12.9
163.11197	24.2
164.79213	3.9
169.10156	4.7
171.11682	7.2
173.13321	7.0
174.99065	4.2
175.11177	5.7
183.11594	5.1
185.13304	6.8
189.11249	4.0
189.12819	4.4
193.32266	3.8
197.13170	5.5
203.14256	4.7
221.15413	5.9
223.13344	11.4
239.18132	8.2
247.20628	8.9
257.19003	17.2
265.21698	4.3
275.20074	100.0
293.21091	34.8
349.23895	17.2
367.14252	12.4
367.24872	61.0
385.23941	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	385.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
54.61559	1.1
55.01861	4.1
55.05515	18.4
57.03440	18.1
57.07062	2.8
65.03931	5.3
67.05508	55.4
69.03413	4.1
69.07071	21.1
69.69142	3.4
69.69558	4.3
70.74369	1.2
71.04970	5.1
73.90233	1.5
75.00004	2.2
75.04469	1.5
79.05493	44.7
81.03423	1.7
81.07062	82.2
82.07354	1.6
83.04963	5.5
83.08630	8.8
85.06529	1.6
89.01583	1.4
91.05483	60.5
91.30403	1.1
93.07048	42.1
95.04981	10.4
95.08066	2.2
95.08613	29.6
97.06506	4.4
97.10142	2.6
97.31193	1.5
99.08107	1.9
101.01540	1.6
103.05440	2.2
105.04514	1.7
105.07036	62.9
107.04943	4.5
107.07900	1.7
107.08606	31.5
108.25742	1.2
109.06512	7.3
109.10149	16.1
111.08064	4.0
113.01563	2.0
115.05418	2.6
117.01061	1.6
117.07037	19.5
119.08582	44.5
121.06498	5.0
121.10146	17.2
123.08080	7.4
123.11717	7.6
125.09612	3.5
127.03091	3.8
129.07028	8.1
131.08574	29.0
133.10139	46.8
135.08029	5.1
135.11685	6.9
137.09616	6.5
139.03069	1.9
141.04648	2.4
141.06972	1.6
143.02539	1.7
143.08553	5.9
145.10124	30.4
147.08029	2.8
147.11693	18.1
149.02316	1.5
149.09627	7.1
149.13239	4.4
151.11185	4.5
153.04623	1.6
155.06146	1.7
155.08522	2.7
157.10138	8.3
159.11700	18.1
161.09634	2.9
161.13242	4.3
163.11194	6.8
165.12793	1.7
167.06184	1.8
169.07706	1.5
169.10118	4.6
171.11736	6.2
173.13268	10.0
175.11165	4.4
177.12784	3.2
181.07718	1.3
183.11710	4.3
187.11157	2.4
187.14822	2.0
189.12810	1.5
197.13243	4.6
199.14795	2.8
201.12622	1.5
201.16444	1.5
213.16348	2.1
229.19513	5.0
233.15195	1.8
239.17920	8.9
247.20520	3.4
257.19003	18.5
275.20084	65.9
293.16666	3.1
311.17673	7.5
331.22659	12.3
349.23764	14.1
364.21323	1.5
385.21332	100.0
386.21844	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	385.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14176	1.6
53.03946	6.5
55.01865	6.6
55.05516	22.4
57.03440	21.5
57.07083	2.4
58.25216	1.4
65.03941	3.7
67.05508	51.3
69.03417	2.6
69.07074	21.5
69.57045	6.3
69.57457	2.9
71.04989	4.0
75.00047	1.9
79.05499	50.8
79.05975	2.4
81.03413	3.6
81.07060	83.5
83.04967	5.7
83.08630	12.4
83.09078	2.3
85.06541	4.5
91.05485	59.7
93.06490	3.0
93.07050	46.6
95.04977	10.0
95.08067	2.8
95.08616	31.4
97.06521	8.5
97.10155	4.9
98.21506	2.0
99.08076	3.1
101.01579	2.9
103.05492	1.9
105.07036	62.7
107.04958	5.7
107.08595	29.1
109.06540	11.0
109.10159	14.1
111.08065	4.2
113.01551	3.6
117.01005	1.7
117.07027	20.6
119.08587	46.7
121.06493	4.5
121.10130	16.1
123.08074	7.8
123.11697	9.8
123.12479	1.5
125.09622	2.6
127.03076	3.1
128.06233	2.0
129.07019	8.4
130.07759	2.4
131.08578	32.2
132.10742	1.7
133.10138	49.5
135.08075	5.7
135.11696	9.0
137.09619	4.1
139.03075	1.4
139.11194	2.1
141.06970	3.7
143.08537	9.5
145.10130	30.8
147.08047	3.4
147.11690	21.0
149.09627	8.2
149.13252	5.2
151.11157	3.5
155.06241	2.8
155.08540	3.5
157.10153	9.9
159.11699	20.4
161.09596	2.8
161.13268	6.7
163.11201	8.3
163.14899	1.9
165.12753	3.5
169.10147	5.4
171.11751	10.2
173.09662	2.8
173.13203	9.6
175.11189	3.7
177.12700	3.2
180.49055	1.8
183.11714	4.5
185.13223	2.0
187.11195	3.8
189.12708	1.8
193.04832	1.9
193.12024	2.0
197.13219	7.0
199.15031	1.6
207.13869	1.6
229.19603	6.0
231.17116	1.7
239.18005	11.1
247.20688	3.0
257.19043	21.7
275.20078	76.6
293.16696	2.9
293.21106	3.8
311.17697	6.8
331.22720	10.9
349.23785	18.3
367.20551	2.2
367.24814	5.9
385.21387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96527	0.6
61.83813	0.3
71.51152	0.4
74.10603	0.3
98.97588	4.7
101.00896	2.0
105.03349	0.3
116.98635	2.7
119.01924	4.8
119.03246	0.3
132.78012	0.4
134.99669	1.1
137.02898	0.6
140.98792	0.4
143.23393	0.3
158.99915	2.0
159.01033	0.4
177.00952	13.1
178.01079	0.5
182.99841	0.8
198.71947	0.3
201.00967	2.6
212.68982	0.3
216.98828	0.6
217.04115	3.1
219.02008	22.7
220.02138	0.8
223.47935	0.3
225.00772	2.5
226.00894	0.3
240.98882	0.6
242.99303	0.6
243.01979	11.4
244.02103	0.4
247.37488	0.4
257.41125	0.3
258.99887	3.3
259.99988	0.5
261.03067	100.0
262.03271	3.1
263.03281	0.5
264.99011	0.4
277.00897	2.6
278.00955	0.4
279.00607	2.4
282.99976	3.4
284.00299	0.5
284.04642	1.9
284.99854	1.0
301.01025	3.2
302.01230	0.7
303.00903	1.2
325.01038	0.6
343.01981	1.7
344.02100	0.3
360.99847	0.4
367.02045	3.0
380.17642	0.9
385.03241	19.8
386.03641	0.7
403.04483	19.3
404.04715	0.5
408.04788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29560	16.9
53.67205	18.2
53.79888	17.6
55.01879	21.1
55.05528	29.4
57.03430	28.2
61.56321	18.9
63.08574	17.7
67.05512	100.0
68.45257	19.4
69.07079	29.3
71.51850	22.8
72.16399	17.3
79.05515	41.6
81.07052	93.4
83.04977	38.0
91.05487	51.9
93.07046	55.3
95.04964	48.1
95.08611	38.4
105.07036	59.8
107.04989	62.3
107.08617	41.9
109.06514	27.3
109.10127	42.2
117.07052	33.3
119.08598	35.7
121.06519	26.3
121.10071	16.7
129.07040	25.0
131.08600	38.6
133.10107	41.4
145.10191	36.0
146.51640	17.0
147.08012	28.5
147.11674	26.0
159.11676	34.3
161.09552	40.9
163.11179	29.6
217.52817	21.5
233.15356	45.2
265.18057	39.7
273.18616	35.9
286.20059	21.5
290.18686	33.8
304.20215	22.2
305.21143	51.2
320.70490	18.4
339.21747	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	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
57.03421	1.9
61.02949	3.1
69.03423	11.8
70.06586	4.1
70.56207	3.7
70.56566	4.2
71.04989	4.3
73.02901	3.1
80.39600	1.9
80.51088	2.0
81.03408	13.6
85.02904	75.2
91.05477	2.9
94.36192	1.7
97.02884	23.3
98.20789	1.9
99.03854	3.8
99.04459	49.4
99.05078	1.7
103.03941	94.7
108.97784	2.3
109.02864	20.3
109.04268	1.7
119.04816	1.9
120.08112	2.1
127.03914	100.0
130.06540	2.2
131.85234	2.0
136.07570	5.0
145.04962	65.1
158.06067	2.1
163.04744	3.7
163.06012	58.3
177.05438	3.6
187.05943	4.1
205.07065	2.8
221.09160	2.2
271.08023	8.1
289.09161	7.1
305.48438	2.1
307.10089	11.1
349.15012	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	384.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06372	1.8
53.03939	3.0
57.03428	1.8
61.26889	2.1
69.03426	10.1
69.94685	4.4
69.95077	5.7
70.06575	5.1
71.04974	2.7
71.49545	1.7
81.03394	9.2
85.02908	68.6
86.09685	2.2
92.44466	2.4
94.95316	2.0
97.02913	14.6
99.04466	35.0
100.63615	2.0
103.03950	86.2
109.02885	11.8
122.89479	1.8
127.03926	100.0
145.04967	68.7
163.06027	61.0
187.06001	8.2
205.07130	4.5
271.08063	7.6
289.09067	6.5
307.10233	15.9
349.14886	4.4
389.85883	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1151
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01850	0.9
56.96538	0.7
57.03440	2.2
58.13531	0.4
59.02549	0.3
60.38958	0.4
69.03415	0.9
70.02908	0.4
70.10526	0.3
70.75475	0.7
71.01369	0.7
72.35971	0.4
73.02888	0.8
82.69070	0.4
85.02886	1.2
89.03869	0.6
91.05448	1.7
91.86088	0.3
97.02870	0.8
98.97567	0.9
115.03950	0.6
116.98624	0.4
119.03545	0.5
119.04923	1.7
120.04250	0.4
121.05077	1.6
125.22031	0.4
133.04948	0.5
135.04422	0.8
135.06667	1.2
136.06195	17.8
137.04562	0.9
145.02722	0.4
147.04402	5.7
148.06152	5.3
160.06227	0.7
162.07756	36.0
163.03894	2.5
164.05589	0.6
188.05681	11.5
192.05167	17.3
206.06714	6.7
216.05168	0.7
218.99785	0.4
234.06209	11.0
237.00586	0.7
252.07285	100.0
253.07434	1.1
286.31726	0.4
384.11520	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	383.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.2
56.92169	3.0
57.07064	10.2
62.10367	2.9
67.05513	21.3
67.49483	2.6
69.06715	3.6
69.07053	16.0
71.08627	12.0
71.16628	6.4
79.05488	10.2
81.07059	46.2
83.08604	14.5
85.10168	7.8
91.05486	12.9
93.07072	20.0
95.08606	39.1
97.10172	12.1
105.07031	23.7
107.08614	21.5
109.10167	34.7
109.16190	3.1
111.11734	5.9
119.08581	18.5
121.10163	16.7
123.11711	14.8
131.08583	5.2
132.46822	3.1
133.10144	19.8
133.85835	2.9
135.11710	31.7
137.13280	7.1
138.10387	3.0
145.10129	4.5
147.11679	47.1
149.13251	18.0
151.14813	4.6
159.11673	6.2
161.13264	39.2
163.14857	7.3
175.14828	16.6
189.16368	9.9
201.16382	5.1
203.17958	8.9
215.17963	6.7
217.19501	4.8
229.19643	4.7
243.21040	5.8
257.22614	4.7
273.25909	5.8
383.36771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03167	1.5
55.05517	12.0
57.07080	13.5
62.32862	1.4
65.99399	1.4
67.05515	22.1
67.71894	1.4
69.07078	16.4
69.49450	8.3
69.49873	3.0
71.08640	10.0
79.05496	10.9
81.07060	41.9
81.07536	2.5
82.16698	1.5
83.08618	16.3
85.10181	8.1
87.48681	1.5
91.05489	15.4
93.07050	20.8
95.08617	41.0
97.10173	15.4
105.07041	22.2
107.08601	20.6
109.10165	35.5
109.10812	1.2
109.27391	1.4
111.11734	6.4
119.08591	21.7
121.10159	16.2
123.11685	11.2
131.08589	3.5
133.10152	17.7
135.11702	26.8
137.13278	4.8
139.14723	1.5
145.10124	5.9
147.11700	47.0
149.13261	18.6
151.14844	3.4
159.11714	7.1
161.13269	39.6
163.14836	6.4
165.16435	2.6
173.09616	2.2
173.13292	5.0
175.14850	14.0
177.16438	2.0
179.17934	3.4
187.11261	3.9
187.14867	4.8
189.16409	8.0
191.17979	1.9
193.19409	2.2
201.16467	5.1
203.17986	6.7
207.21072	2.3
215.17961	7.8
217.19545	3.3
229.19568	4.6
233.22556	2.7
243.21106	8.8
247.24307	5.0
257.22711	6.2
261.25824	2.1
262.28549	1.4
273.25894	3.8
287.27716	2.2
301.28918	4.4
383.33224	4.5
383.36792	100.0
384.37134	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61893	2.8
53.03952	5.4
55.01860	2.9
55.05508	13.2
57.03437	3.1
57.07068	9.2
59.04997	5.9
64.98431	2.5
65.11053	2.8
67.05242	2.8
67.05511	30.5
69.03426	17.2
69.07054	12.1
69.66393	2.6
71.04977	7.3
72.21895	3.1
73.43507	2.6
75.51206	3.0
79.05495	32.5
81.07059	37.2
83.04976	9.0
83.08624	3.8
85.06543	4.9
91.05480	47.4
93.07042	99.3
95.04980	26.4
95.08611	35.7
97.06529	11.2
103.05493	5.4
104.16204	2.9
105.07037	79.8
107.04951	3.8
107.08598	35.0
109.06524	26.1
109.10152	60.4
111.08071	10.0
117.07007	10.7
118.41149	2.7
119.08590	53.0
121.06531	13.3
121.10144	44.1
123.08060	29.5
127.11157	3.8
128.06238	5.1
129.07005	13.8
131.08580	31.2
133.06482	9.9
133.10153	26.0
135.08052	24.5
135.11745	3.1
137.06030	3.6
137.09601	9.2
141.06961	7.9
142.07777	18.6
143.08578	23.9
144.09358	4.2
145.10120	37.6
147.08037	27.0
147.11658	19.3
148.08839	5.5
149.09630	27.5
151.07552	35.8
153.09132	4.1
155.08551	9.0
156.09305	10.2
157.10124	43.0
159.08044	7.4
159.11710	14.4
161.09630	22.6
161.13255	5.6
163.11206	8.9
165.09106	37.7
169.10095	6.9
170.10910	7.8
171.11714	8.8
173.09654	9.3
173.13251	8.1
175.11176	23.4
175.14813	8.2
177.09097	12.5
181.10214	3.3
183.11697	7.5
185.09647	4.3
185.13281	15.1
187.11252	6.6
189.12831	12.9
191.14349	3.6
195.11684	4.3
197.13268	6.8
199.11156	5.5
201.12759	6.9
203.14307	31.1
207.11983	3.6
207.13768	15.4
209.13319	6.1
213.12756	6.8
215.14297	7.6
219.13857	5.4
221.13315	3.8
221.15358	88.3
227.14305	7.3
231.13914	4.6
233.15359	7.4
234.16130	15.6
249.16463	3.0
281.18948	3.9
286.19342	4.6
287.20029	7.1
299.20190	4.5
303.19559	9.3
317.45242	3.1
347.23550	3.3
365.24918	15.2
383.25812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2584
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03938	5.3
55.01871	4.4
55.05521	22.0
57.03427	6.8
57.07077	6.7
59.05008	18.2
61.60688	2.6
63.06278	2.7
65.03930	5.9
67.05511	100.0
69.03405	9.7
69.07063	12.0
69.21255	17.1
69.21674	9.9
71.04982	5.9
75.68762	2.7
79.05499	32.5
81.07061	54.1
83.04968	11.6
83.08610	13.1
85.06530	8.9
87.04465	3.5
91.05489	50.2
93.06485	5.3
93.07052	82.1
95.04980	35.0
95.06890	2.9
95.08620	34.1
97.06561	18.1
97.10165	4.0
102.94193	2.7
105.04506	4.0
105.07044	73.8
107.08608	42.3
109.06527	20.6
109.10162	83.3
111.04446	3.7
111.08077	9.6
115.05477	3.2
115.41759	2.6
117.07014	15.3
119.08593	60.9
121.06480	14.6
121.10149	50.8
123.08098	19.0
125.09620	10.5
128.06198	7.9
129.06979	17.3
130.07800	6.9
131.08582	41.3
133.06540	13.7
133.07521	2.6
133.10156	31.5
133.68643	3.1
135.08067	28.5
135.11705	5.2
137.09604	11.5
141.06956	3.8
142.07796	14.6
143.08578	28.8
144.09319	14.9
145.06499	3.7
145.10149	41.6
147.08060	17.3
147.11679	13.2
149.09653	34.8
151.07587	18.2
153.09097	4.2
153.12860	3.0
155.08571	11.1
155.10658	7.6
156.09334	9.1
157.10150	32.7
158.10951	4.7
159.08058	11.0
159.11728	20.9
161.09633	14.7
161.13214	3.7
163.11223	5.6
165.09103	14.1
165.12691	3.9
167.08522	3.5
167.10687	3.5
168.09381	3.5
169.10112	11.3
170.10893	3.8
171.08084	3.8
171.11687	12.1
173.09663	14.6
173.11745	20.5
173.13283	10.7
175.11214	18.1
175.14726	4.4
177.09212	15.1
178.09874	7.3
179.08574	6.5
181.10135	5.1
182.10983	3.9
183.11765	14.5
185.09546	5.3
185.13272	10.1
187.11230	6.0
187.14906	4.0
189.11163	5.0
189.12733	6.7
194.10905	7.0
195.11673	10.0
197.13231	9.5
199.14841	7.1
201.12772	16.9
203.14308	11.5
207.11726	5.3
207.13811	7.0
209.13351	8.2
211.14751	6.2
213.12874	4.7
215.14351	13.9
216.15076	3.3
219.13835	10.3
221.13345	6.4
221.15326	25.8
223.14865	5.3
227.14409	19.7
231.13797	6.3
233.15417	8.5
234.16147	27.1
239.17798	2.8
249.16370	7.3
263.18036	4.1
281.18954	5.4
287.20050	5.0
291.19620	4.9
299.20129	3.6
303.19412	3.5
307.20758	4.9
347.23648	4.3
351.23059	3.8
365.24841	18.3
383.25723	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03944	6.7
53.44408	2.3
55.01855	3.0
55.05505	14.4
57.03426	2.9
57.07075	14.1
59.04997	6.3
65.03936	3.5
67.05508	41.0
69.03436	18.2
69.07068	11.7
71.03246	5.2
71.04996	7.2
78.24907	2.4
79.05496	31.8
81.03426	3.0
81.07058	40.5
83.04976	8.5
85.06555	8.2
86.61350	2.6
89.06024	3.5
91.05483	48.6
93.07045	100.0
95.04970	28.2
95.08614	37.9
97.06534	10.6
103.05514	3.2
105.07031	81.6
105.41772	2.7
107.04957	3.0
107.08593	39.7
109.06531	20.6
109.10154	23.0
111.04482	3.5
111.08086	9.4
115.05501	5.2
117.07004	13.7
119.08580	63.2
121.06489	16.9
121.10144	47.4
123.08082	29.0
123.11671	3.0
125.05977	2.8
125.09634	2.7
125.97045	2.7
128.06233	9.5
129.06995	16.0
130.07785	5.2
131.08563	33.1
133.06499	9.3
133.08577	3.6
133.10123	30.1
135.08075	24.8
135.11684	6.6
137.05939	2.9
137.09624	9.5
141.07030	8.5
142.07800	24.2
143.08586	28.3
144.09346	5.3
145.06590	2.7
145.10129	42.2
147.08020	19.1
147.11615	13.9
149.09645	27.0
151.07547	38.3
153.09157	2.8
155.08568	7.0
156.09300	5.9
157.10123	39.3
158.10840	5.2
159.08081	7.8
159.11713	16.1
161.09645	19.8
161.13289	7.0
163.11198	5.5
165.09145	32.8
169.10165	8.8
170.10936	8.5
171.07982	3.3
171.11667	7.9
173.09622	10.2
173.13223	7.7
175.11227	20.6
175.14838	8.1
177.09171	6.9
181.10083	4.9
181.12199	2.8
183.11696	7.5
185.13245	16.9
187.11200	4.7
187.14890	3.8
189.12741	11.6
191.14319	5.8
194.10962	3.5
195.11713	4.5
197.13278	5.1
199.14813	3.5
201.12721	10.0
203.14339	28.7
207.11768	5.3
207.13805	9.8
209.13312	5.3
209.15298	6.4
213.12778	6.3
215.14290	8.1
216.15079	3.0
219.13806	8.5
221.13370	5.0
221.15347	80.3
227.14407	5.1
229.16031	4.1
231.13902	5.4
233.15355	7.5
234.16197	12.7
235.14740	3.1
271.15344	5.3
281.19162	4.0
286.19290	7.1
287.20026	5.2
299.20139	6.0
303.19550	8.2
306.24255	6.3
309.18344	3.3
365.24805	17.1
383.25793	84.9
396.90744	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52142	2.5
53.03934	3.3
53.32827	2.5
55.05518	17.4
57.07061	10.5
59.04989	9.2
65.03950	2.5
67.05508	30.3
67.27988	2.3
67.55709	2.6
69.03452	17.4
69.07053	11.0
69.85905	3.2
69.86185	12.8
71.04984	7.4
77.54641	2.6
79.05495	30.6
81.07063	35.6
83.04977	5.6
83.08601	5.1
85.06522	7.1
91.05490	37.1
93.06490	4.7
93.07052	89.6
95.04978	25.5
95.08618	36.6
97.06519	11.6
103.05458	3.2
105.04523	3.9
105.07042	74.5
107.08596	36.0
109.06519	21.9
109.10161	36.0
111.08064	9.7
115.05384	3.8
117.07007	11.2
119.08601	53.2
120.09358	3.9
121.06496	13.6
121.10153	40.8
123.08074	26.8
127.11202	3.4
128.06233	6.1
129.06998	9.3
130.07793	3.9
131.08585	35.4
133.06473	10.4
133.10144	36.2
135.08043	21.7
135.11731	6.2
137.06006	2.9
137.09616	9.7
141.06995	3.8
142.07790	17.4
143.08563	28.3
144.09346	3.7
145.06450	3.2
145.10135	33.5
147.08063	24.6
147.10674	2.7
147.11658	13.1
149.09654	28.7
151.07558	38.7
153.06979	3.4
153.09140	5.3
155.08545	7.0
156.09346	9.0
157.10135	43.2
159.08064	9.3
159.11710	16.3
160.08788	4.0
161.09612	17.9
161.13280	5.0
163.11156	10.2
165.09142	38.6
167.08496	2.6
168.09303	2.5
169.10094	8.9
170.10907	6.4
171.11662	7.1
173.09598	11.2
173.13255	7.8
175.11208	14.9
175.14842	7.5
177.09109	10.5
178.09792	3.2
179.08511	4.4
181.10143	3.7
181.12216	2.7
183.11624	7.6
185.13278	19.1
187.11229	6.5
187.14885	5.4
189.12726	9.5
191.14311	3.9
194.61884	2.4
195.11685	6.4
197.13271	6.1
199.11179	4.5
199.14816	3.4
201.12801	4.6
202.05153	2.6
203.14319	31.1
207.11961	3.3
207.13873	10.3
209.13275	6.8
209.15216	2.8
211.14890	3.9
213.12753	4.9
215.14316	11.0
217.12158	3.1
219.13823	8.5
221.15388	100.0
223.14920	3.8
225.12733	3.1
227.14264	8.9
230.98677	2.6
231.13840	4.6
233.15370	7.0
234.16110	13.5
239.14345	2.7
241.15866	3.1
281.19019	4.3
286.19025	4.7
287.20065	5.6
299.20111	5.3
303.19580	10.3
309.18420	3.9
347.23798	5.0
365.24759	18.2
383.20383	13.6
383.25754	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03948	4.0
54.08495	2.8
55.01881	3.1
55.05515	12.6
57.07069	7.3
59.04991	7.5
67.05506	26.8
69.03429	15.9
69.07079	9.6
69.27561	20.5
69.63578	2.4
71.04991	3.1
79.05492	30.8
81.07064	31.2
83.04993	6.8
83.08607	4.1
85.06544	6.2
91.05488	45.8
93.07045	89.1
95.04968	22.5
95.08615	42.6
97.06528	13.2
97.95832	2.3
105.04585	3.7
105.07037	76.1
106.39279	2.8
107.04985	2.7
107.08595	44.9
109.06527	21.3
109.10161	16.7
111.08108	7.6
115.05463	4.0
117.07025	9.1
119.08586	55.3
121.06520	14.0
121.10152	40.8
123.08077	26.7
125.05965	2.1
125.09626	3.4
128.06160	4.3
129.07022	10.1
130.07826	5.1
131.08569	29.7
133.06473	9.7
133.10132	27.4
135.08052	20.5
135.11699	5.8
137.09630	10.1
141.06956	4.2
142.07785	23.3
143.08571	21.3
144.09334	5.4
145.10124	37.3
147.08040	25.7
147.11714	22.9
148.08879	3.8
149.09610	25.7
151.07541	37.6
155.08559	7.9
156.09364	7.9
157.10152	44.6
159.08046	8.1
159.11699	17.5
160.08809	4.3
161.09651	22.0
161.13258	5.8
163.07497	2.8
163.11211	9.7
165.09114	37.7
167.08516	2.6
167.57405	2.6
169.10141	8.0
170.10934	7.3
171.11676	8.7
173.09668	12.7
173.13228	6.9
175.11192	22.2
175.14784	6.2
177.09181	14.1
178.09814	3.1
179.08594	3.5
181.10138	4.6
182.10930	3.0
183.11656	5.3
185.13274	23.1
187.11263	5.8
187.14801	4.4
189.12788	12.0
190.45706	3.2
191.14334	5.5
194.10844	3.7
195.11699	6.5
197.13275	3.9
199.11194	4.2
201.12805	8.7
203.10661	2.8
203.14311	29.3
207.13828	15.0
209.13315	5.7
209.15399	6.6
213.12711	4.4
215.14384	7.9
215.83260	3.2
219.11826	5.1
219.13850	7.7
221.15378	71.4
225.12756	4.0
227.14308	6.9
231.13852	6.0
233.15453	7.0
234.14078	2.8
234.16202	11.2
237.56615	2.6
265.15976	2.8
271.16992	4.3
281.18924	3.1
286.19339	7.5
287.20337	13.0
299.20090	4.7
303.19568	8.9
327.59369	2.5
347.23764	4.4
365.24823	13.9
383.25830	100.0
384.26154	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	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.4
63.01915	0.6
65.03923	0.9
67.05507	20.4
69.07069	8.7
71.05000	3.8
73.90993	0.6
79.05495	4.0
81.03400	0.8
81.07059	10.0
83.04957	0.9
83.08611	1.2
85.06548	3.0
91.05476	4.1
93.07043	4.3
95.04975	5.0
95.08614	3.3
96.24554	0.6
97.10177	1.2
105.07040	9.3
107.08620	3.9
109.10159	100.0
111.08073	1.0
117.07005	1.3
119.08563	4.7
121.06468	0.8
121.10175	2.8
123.08039	1.5
127.11196	11.0
128.06233	1.0
128.71260	0.8
129.07021	1.2
131.08588	2.7
133.10133	1.9
135.08041	2.3
137.09621	1.5
141.06990	1.0
142.07773	2.6
143.08568	2.1
145.10120	4.1
147.08044	1.9
147.11702	2.3
155.08551	1.0
157.10136	6.8
159.08101	1.7
159.11743	0.8
161.09630	1.9
163.11206	1.1
165.06952	1.0
165.09140	0.8
169.10103	1.4
170.10762	0.9
171.11772	0.9
173.09662	2.0
175.11215	1.4
179.08582	1.2
183.11617	1.4
185.13315	1.3
188.12009	0.8
194.11049	0.9
195.11688	2.4
197.13354	1.1
209.13292	2.8
211.14948	1.1
213.12741	5.0
221.15317	3.2
227.14439	0.9
239.14270	0.9
273.18573	4.4
291.19598	1.3
365.24622	1.8
383.25610	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01876	17.5
55.05514	57.8
57.03435	18.9
57.07063	3.9
59.04995	3.6
62.45714	2.7
67.05505	64.0
69.03427	11.1
69.07070	29.4
70.96287	6.1
71.04980	2.7
79.05492	56.5
81.03420	21.9
81.07057	100.0
83.04985	24.5
83.08622	29.7
83.28678	2.9
85.02905	8.3
85.06524	3.5
88.00330	2.8
91.05486	30.2
93.07043	36.7
95.04972	20.1
95.08607	30.4
97.02898	6.5
97.06536	11.2
97.10172	46.3
99.04486	2.8
99.08083	3.9
105.07034	21.8
107.04966	7.0
107.08594	35.1
109.06544	10.2
109.10165	19.1
111.04456	26.1
111.08094	11.8
117.07024	8.3
119.08602	22.5
121.06508	8.9
121.10135	21.6
121.57116	2.7
123.08073	53.6
123.10072	2.9
123.11707	3.2
125.06003	2.9
125.09637	56.7
128.06227	3.3
129.06976	5.9
131.08563	12.5
133.10141	8.7
135.00842	2.9
135.08040	12.4
135.11705	10.0
137.02702	2.9
137.09624	7.5
142.07753	2.9
143.08533	6.7
145.10110	14.4
147.08058	11.7
147.11696	9.3
149.09633	6.1
149.13254	4.2
153.09116	7.9
153.12794	12.9
157.10150	7.9
159.11732	5.8
161.09651	4.6
163.11168	24.9
165.09125	12.5
165.12737	5.6
169.10136	3.4
171.10211	5.9
171.11618	3.8
173.09518	3.0
175.11221	7.7
181.12262	18.3
183.11726	3.2
189.11220	63.4
191.10681	14.4
193.12282	10.8
209.11781	4.0
223.13297	5.3
227.12762	19.0
245.19153	3.6
255.17508	3.1
263.20038	5.0
273.18494	25.6
291.19595	88.1
291.22879	6.1
309.20575	9.3
365.23221	21.0
383.24350	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.3
55.01868	19.7
55.05518	55.5
57.03442	24.2
59.04996	4.4
67.05516	68.7
69.03432	7.6
69.07068	28.8
69.24006	36.4
71.04976	6.7
71.11924	3.7
79.05505	50.0
81.03423	22.3
81.07070	100.0
83.04980	22.8
83.08635	36.9
85.02925	5.9
85.06532	4.1
89.38734	3.6
91.05484	33.0
93.07054	41.1
95.04987	22.1
95.08617	35.1
97.02916	14.6
97.06544	9.8
97.10188	49.1
99.19432	4.1
105.07043	25.9
107.04960	9.7
107.08609	42.5
109.06528	8.7
109.10184	26.6
111.04443	31.5
111.08076	14.8
117.07031	11.5
119.08592	26.5
121.06504	11.5
121.10151	24.4
123.08096	66.1
125.09654	56.6
131.08568	15.6
133.10158	16.2
135.08051	17.4
135.11703	14.5
137.09616	14.1
143.08574	5.1
145.10133	15.8
147.08054	8.9
147.11694	11.2
149.09624	8.3
153.09099	7.2
153.12755	17.4
157.10115	5.8
159.11668	5.1
161.09648	5.2
163.11195	27.4
165.09105	6.6
166.76105	3.9
171.11638	4.5
173.09631	6.7
175.11171	8.1
181.12262	16.3
189.11234	80.0
191.10773	18.8
193.12233	14.3
211.13197	6.0
223.13252	6.8
227.12750	26.1
232.82146	3.7
255.88338	4.5
273.18555	30.3
291.19604	99.6
309.20563	9.5
365.23279	20.5
383.24347	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	1.3
51.02361	1.1
53.03960	4.6
55.01883	16.6
55.05515	57.2
57.03441	23.8
57.07069	1.7
59.04992	4.3
65.03938	3.1
67.05510	62.1
69.03443	6.4
69.07072	29.8
69.19864	6.6
69.20284	2.3
71.04983	4.0
74.25598	1.0
79.05495	61.6
81.03423	22.4
81.07060	100.0
83.04986	24.5
83.08626	26.7
83.09119	1.5
85.02908	8.7
85.06528	3.4
91.05483	27.4
91.62563	1.0
93.07048	41.5
93.55106	1.0
95.04976	20.5
95.08611	29.4
96.10220	0.9
97.02859	1.7
97.06537	10.7
97.10172	47.8
99.04462	3.5
99.08088	4.1
101.09644	1.1
103.05427	1.1
105.04543	1.0
105.07036	25.7
107.04955	10.5
107.08598	33.4
109.06522	8.8
109.10162	19.4
109.10869	0.5
109.18863	0.9
109.74911	0.9
111.04448	24.6
111.08077	11.6
113.05995	1.1
115.05446	1.1
117.07027	11.4
119.08593	20.0
119.74716	0.9
121.06522	8.7
121.10145	16.7
123.08074	48.4
123.11697	2.1
125.06011	2.3
125.09637	44.0
128.06239	1.1
129.07005	7.4
129.47676	1.0
129.75713	1.0
130.44040	0.9
131.08588	12.1
133.06483	2.4
133.10139	9.6
135.08069	6.8
135.11703	12.3
137.09621	10.2
139.07487	1.4
139.11168	1.5
140.51256	1.1
141.09148	1.0
142.07713	1.5
143.08572	3.1
143.10680	2.3
145.10114	13.4
147.08070	8.5
147.11681	9.9
149.09631	9.5
149.13286	2.4
151.11162	1.2
153.09116	6.3
153.12727	9.8
155.08578	2.3
157.10097	6.2
159.08127	1.1
159.11699	6.0
161.09619	3.7
161.13174	1.3
163.11183	25.2
165.09128	9.0
165.12808	1.5
169.10153	1.0
171.10179	6.9
171.11661	2.8
173.09671	4.4
173.11786	1.6
173.13243	1.6
175.11212	5.7
177.12741	2.5
181.12262	14.7
185.13338	2.9
187.11044	1.4
189.11229	51.7
191.10661	13.3
193.12285	12.6
195.11610	1.1
203.10568	1.8
205.12209	1.8
209.11742	2.9
211.13313	4.5
217.19498	1.3
223.13278	5.6
227.12776	18.4
227.17937	3.1
245.13724	2.6
245.19090	4.3
249.14879	3.3
255.17413	3.1
263.20129	3.7
267.15848	1.0
273.15521	1.6
273.18481	28.4
283.15372	1.6
291.19556	72.0
292.19861	1.0
293.21115	1.0
309.20630	6.8
311.62820	1.0
347.22253	3.8
365.23273	19.9
383.16559	1.9
383.24326	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	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
53.24018	1.2
55.01880	20.2
55.05516	55.9
56.96560	2.4
57.03440	23.7
57.07064	2.2
59.04995	1.7
61.02925	2.6
64.51443	1.3
65.03934	2.5
65.07144	1.3
67.05512	60.6
69.03440	8.7
69.07075	32.3
71.04990	6.8
73.02943	2.3
79.05501	61.5
80.46281	1.2
81.03433	24.0
81.07064	100.0
83.04988	24.9
83.08629	26.5
84.08151	2.7
85.02916	10.7
85.06541	6.4
86.09697	2.1
91.04978	2.3
91.05495	27.1
93.06486	2.7
93.07052	44.9
95.04975	21.9
95.08614	33.7
97.02889	3.8
97.06541	10.9
97.10175	46.6
98.97562	3.3
99.04464	5.1
99.08099	5.3
103.05462	1.4
105.07043	24.0
107.04983	11.1
107.08605	36.3
109.06544	10.2
109.10164	19.7
111.04452	21.9
111.08080	14.5
117.07021	10.7
119.08587	24.4
121.06536	8.5
121.10151	18.6
123.04417	2.8
123.08080	48.7
123.11722	1.6
125.05989	3.0
125.09639	45.0
129.07018	8.4
131.00186	3.0
131.08578	15.7
133.06490	2.5
133.10143	12.1
135.08089	9.8
135.11717	13.8
137.05940	1.6
137.09631	11.1
139.07552	1.8
139.11208	2.4
143.08566	6.2
143.10661	2.9
145.10130	17.7
147.08063	9.4
147.09068	1.6
147.11728	6.2
149.01277	3.4
149.09651	7.4
149.13280	2.5
151.11179	1.9
153.09154	6.9
153.12746	9.9
157.10138	5.7
158.99695	2.2
159.11726	6.3
161.09665	4.6
163.11185	25.9
165.09126	9.4
165.12798	1.8
171.10172	7.3
171.11673	3.5
173.09659	4.7
175.11220	4.5
177.09125	1.4
177.12764	3.8
181.12253	14.8
183.58672	2.2
185.13199	2.4
187.11226	2.2
189.11224	59.6
191.10710	12.0
193.12267	11.0
203.14326	3.2
205.12306	2.4
209.11786	4.0
211.13350	4.2
220.10408	2.6
220.60637	5.7
223.13356	4.6
227.12764	20.5
227.17999	3.4
245.13806	2.5
245.19125	3.2
249.14929	2.3
255.09149	2.1
255.17587	3.7
263.20233	3.5
273.18527	32.5
283.15543	1.4
291.19562	75.1
292.62778	1.9
301.12997	7.0
301.63202	26.0
302.13440	6.5
303.61575	1.4
309.20575	7.0
347.22144	4.0
365.23242	20.5
382.65933	6.7
383.15912	5.7
383.24319	52.8
406.41901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73129	1.3
51.31409	1.2
53.03943	3.8
55.01872	15.3
55.05514	40.4
56.96564	2.6
57.03440	14.4
57.07102	1.4
59.04992	2.3
61.02906	2.2
62.32622	1.3
65.03931	2.2
67.05511	45.9
69.03434	8.2
69.07076	21.9
69.29190	12.1
70.06599	1.7
70.24864	1.3
71.04982	5.1
73.02909	3.4
79.05495	46.0
81.03417	13.7
81.07061	100.0
83.04984	22.7
83.08624	21.2
85.02911	8.5
85.06551	3.3
86.09704	1.5
91.05486	24.0
93.06480	2.6
93.07047	35.0
95.04971	21.7
95.08620	22.2
97.02892	3.2
97.06544	11.0
97.10174	33.0
98.21557	3.0
98.97601	3.1
99.04436	3.9
99.08086	3.1
103.05446	2.0
105.03391	2.6
105.07040	20.2
107.04948	5.7
107.08596	24.8
109.06515	8.3
109.10168	13.8
111.04449	25.7
111.08078	11.8
113.06007	1.8
115.05451	1.5
117.07043	11.4
119.08588	19.7
121.06514	9.5
121.10156	16.0
123.04459	3.1
123.07210	2.3
123.08080	40.9
123.11726	2.0
125.05989	2.2
125.09634	28.4
128.06197	1.7
129.07019	4.8
131.00160	1.6
131.08586	10.4
133.06528	2.9
133.10155	6.9
135.08072	8.1
135.11710	11.7
137.09596	11.2
139.07530	1.9
139.11171	2.2
143.08557	5.0
145.10132	16.2
147.08093	10.5
147.11732	7.0
149.01230	3.0
149.09605	9.3
149.13246	1.5
151.07521	1.8
151.11269	1.7
153.09088	4.9
153.12756	10.0
157.10156	6.5
159.08054	1.7
159.11655	5.4
161.09619	3.7
162.56314	1.6
163.11177	25.4
165.00777	1.4
165.09096	10.0
169.12286	1.6
171.10162	4.6
171.11610	3.0
173.09608	5.0
173.13281	1.6
175.11209	4.4
181.12219	13.3
181.73309	1.5
185.06531	2.0
187.11163	1.7
189.11240	37.6
189.12706	1.5
191.02309	1.8
191.10666	11.7
193.12268	9.5
197.11717	1.3
203.14394	1.5
205.12227	1.6
209.11749	3.3
211.13408	1.8
211.59953	1.9
217.12321	1.4
220.10518	2.2
220.60516	6.7
221.10811	1.3
223.13187	10.3
227.12785	17.3
227.17871	2.9
231.17514	1.8
245.13844	3.0
245.19081	2.0
249.14795	2.0
255.09117	1.7
255.17424	4.5
257.24368	1.4
263.20016	5.5
273.09912	1.5
273.18521	32.9
283.15448	4.1
291.19550	82.5
292.19827	1.7
292.62738	2.5
293.12711	1.6
301.13132	4.2
301.63211	19.3
302.13605	7.0
309.20639	6.0
347.22433	3.1
365.23270	31.0
382.65918	6.7
383.16031	3.8
383.24335	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97689	1.0
53.03935	3.7
53.04172	0.8
55.01878	13.9
55.05517	37.2
55.53646	0.9
57.03442	14.2
65.03952	2.0
67.05511	42.0
67.05879	2.0
69.03421	3.8
69.06731	1.5
69.07076	21.7
69.70670	4.8
71.04993	3.4
76.93659	0.9
77.03918	1.2
79.05499	43.5
81.03430	12.7
81.07063	100.0
83.04987	20.6
83.08161	1.4
83.08628	20.3
85.02914	6.5
85.06525	3.0
91.05486	21.7
93.06492	1.9
93.07054	31.6
93.07640	2.0
95.04978	18.8
95.08064	1.5
95.08614	19.8
97.06541	10.0
97.10176	32.1
99.04467	4.3
99.08089	4.0
101.09633	0.9
105.07043	20.9
107.04981	7.7
107.08599	23.5
108.05724	1.2
109.06524	7.8
109.10166	13.5
111.03725	1.5
111.04453	20.9
111.08079	11.9
113.06016	1.8
115.05445	1.5
117.07034	10.3
119.08592	21.8
121.06525	7.6
121.10149	14.4
123.04380	1.0
123.08075	43.4
123.11660	1.6
125.05997	2.8
125.09638	30.3
128.06158	1.1
129.07001	3.6
131.08586	14.1
133.06514	1.8
133.10156	6.5
135.08051	7.2
135.11694	11.8
137.09612	8.4
139.11194	2.5
141.06964	1.4
142.07787	1.3
143.08540	4.0
143.10684	1.3
145.06424	1.4
145.10139	12.0
147.08038	7.0
147.11687	6.3
149.09610	7.7
149.13268	2.1
151.11125	1.2
152.29718	1.0
152.52655	1.1
153.09166	5.2
153.12753	11.9
155.08582	1.8
157.10132	4.7
159.11725	3.0
161.09605	4.4
161.13284	1.2
163.11186	22.5
165.09128	10.3
165.12749	1.7
171.10176	4.8
171.11690	2.3
173.09653	3.0
173.11774	1.3
175.11267	4.6
177.12807	2.0
181.12234	15.4
185.13261	1.7
187.11185	1.6
189.11241	35.1
189.12740	1.2
191.10651	9.2
193.05083	1.2
193.12247	9.1
199.14792	1.0
205.12219	1.2
205.16528	0.9
207.13838	0.9
209.11742	3.4
211.13249	2.6
221.11742	1.1
223.13310	8.8
227.12804	16.1
227.17825	2.2
239.83965	1.0
245.13750	1.4
245.18997	4.1
249.14862	2.7
255.17409	5.0
263.20105	3.4
273.18521	30.8
274.18689	1.0
283.15408	5.3
291.19556	85.2
292.19931	2.0
301.16589	1.4
309.20596	6.5
347.22046	2.4
365.23273	25.4
383.24319	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
53.38712	1.3
54.02073	1.5
55.01874	12.7
55.05514	21.5
55.23093	1.6
55.98139	1.5
57.03446	9.3
57.07058	2.1
60.68882	1.3
67.05507	52.0
69.03418	4.5
69.07073	39.7
69.29337	12.9
71.05006	14.9
71.16656	1.9
78.47712	1.5
79.05499	39.9
81.03425	10.6
81.07063	71.8
82.07399	1.5
83.04987	12.0
83.08633	10.9
85.02890	2.0
85.06527	4.6
91.05483	41.2
93.07048	36.5
95.04987	17.3
95.08613	29.7
97.02889	2.6
97.06521	11.9
97.10165	5.7
98.21581	2.9
99.04436	3.0
99.08080	4.3
100.11271	1.9
103.05470	2.1
105.07037	30.6
105.08621	1.4
107.04966	11.5
107.08595	23.8
108.92414	1.4
109.06525	14.8
109.10162	16.8
111.04478	11.4
111.08078	6.5
113.06030	3.4
116.98476	3.2
117.07043	11.5
119.04938	1.9
119.08592	25.6
121.06517	8.1
121.10159	16.5
123.04430	5.5
123.08078	15.6
123.11695	3.4
125.05994	4.2
125.09650	8.4
127.23376	1.5
128.06242	2.0
129.07018	7.8
131.00011	4.4
131.08571	13.9
133.06531	7.2
133.10133	16.7
135.08064	11.4
135.11713	9.0
137.05997	5.8
137.09665	7.9
137.13245	1.7
139.07564	9.0
142.07693	1.8
142.75751	1.9
143.08566	6.0
145.06544	2.4
145.10135	14.5
147.08049	13.5
147.11693	16.1
149.09645	9.9
149.13268	2.6
151.07524	3.8
151.11139	3.7
153.09137	3.1
155.08566	3.1
157.10118	9.6
159.08061	3.0
159.11671	5.5
161.09625	8.6
161.13225	3.1
163.11177	18.7
165.09088	3.4
165.12743	3.9
169.10159	2.1
171.10330	1.8
171.11717	6.4
173.09657	2.5
173.13283	2.1
174.99074	3.0
175.11197	8.7
177.09152	3.0
177.12755	4.4
179.10690	1.8
181.12262	2.0
185.09567	1.9
185.13300	3.4
187.11249	2.0
189.00621	4.8
189.11176	3.8
189.12781	3.9
191.10695	3.5
193.12271	8.2
195.13773	1.9
199.07608	1.8
199.14983	1.7
203.14325	3.0
207.13829	2.4
211.14951	2.0
221.11737	2.7
221.15376	2.1
223.13327	8.3
227.12831	3.9
227.17953	6.1
237.16528	2.9
245.19089	9.2
250.34393	1.5
255.17419	6.9
263.20123	11.3
267.16028	1.8
273.18500	47.2
291.19559	100.0
309.20575	6.1
347.22269	5.3
365.12555	5.0
365.23233	57.5
383.13751	2.0
383.24152	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.4
55.01874	16.4
55.05515	24.0
56.42406	2.6
57.03428	8.6
57.07062	5.1
59.04990	5.3
61.02922	6.1
65.03948	2.8
67.05508	69.8
69.01379	2.6
69.03429	7.3
69.07063	11.7
70.06607	2.9
71.05000	7.1
71.52442	4.1
71.52825	2.7
73.02901	3.1
76.98877	3.9
79.05491	43.5
79.18222	2.5
81.07061	100.0
83.04972	18.5
83.08631	12.9
85.02905	10.6
85.06545	5.1
89.62487	2.4
91.05488	28.1
93.07049	25.2
95.04984	18.3
95.08605	19.4
97.02908	5.1
97.06530	6.0
97.10159	9.2
99.04456	5.4
99.08099	4.7
105.07046	31.5
107.04958	8.1
107.08612	18.4
109.06524	46.4
109.10163	38.7
111.04455	23.4
111.08086	10.3
113.05958	5.1
115.05400	3.4
117.07040	16.9
119.08589	40.2
121.06496	8.0
121.10155	18.1
123.08081	12.7
125.06015	3.5
125.09624	8.0
129.05521	3.7
129.06998	9.7
131.00012	4.0
131.08585	16.4
133.06493	6.8
133.10110	17.5
135.08055	15.6
135.11707	12.8
137.06010	10.6
137.09595	8.6
142.07697	3.3
143.08534	10.0
145.06476	6.2
145.10107	25.9
146.10483	2.8
147.08018	18.3
147.11713	4.4
149.09621	12.1
151.07500	6.2
153.12740	11.1
155.08582	4.4
157.10141	12.5
159.08096	9.0
159.11716	8.3
161.09631	12.1
163.11179	14.4
165.09198	7.4
169.10121	3.1
171.11714	5.8
173.09679	3.8
173.11763	13.0
173.13158	5.0
175.11148	7.2
177.09113	3.4
181.10048	2.8
181.12213	11.5
185.13228	4.6
189.11189	7.2
189.12791	3.7
191.10658	10.3
195.11714	5.1
199.02626	3.2
199.11258	5.0
207.13750	3.4
209.11613	3.6
211.13135	3.3
213.12720	3.6
223.13248	4.7
227.12779	9.8
241.12289	3.8
249.14940	3.8
255.17451	4.9
273.18555	36.6
283.15433	5.5
291.19568	92.7
312.20981	6.8
320.25296	2.9
347.22156	4.6
365.23303	17.4
383.21844	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87123	0.6
53.03942	1.1
55.05493	1.1
57.03426	0.8
58.03778	0.7
67.05488	1.8
69.03414	2.2
69.07057	1.7
70.06591	4.9
71.04980	2.4
71.51580	0.8
72.08143	2.0
77.03920	1.1
79.05489	2.0
79.83075	0.7
80.05830	1.1
81.07042	1.2
82.06567	1.5
84.08149	3.5
85.02895	2.8
86.09702	2.3
86.51694	0.7
87.04461	2.1
91.05485	1.5
93.07053	3.2
94.07366	1.2
95.08570	2.4
96.08940	1.6
97.02907	0.9
97.06526	1.0
107.08598	1.3
109.10177	0.8
110.06060	10.2
110.07168	1.0
115.03938	1.1
117.03313	1.0
120.08086	1.8
121.10153	2.8
122.10517	3.9
125.04751	4.8
129.10287	0.7
135.04488	1.5
136.07585	51.8
139.11169	2.7
140.07076	27.7
140.11482	3.7
143.57455	0.8
145.10069	0.9
152.07040	1.0
157.12286	4.3
158.12642	4.9
163.03905	6.2
164.07079	100.0
167.10611	1.1
168.11018	1.4
182.08141	94.2
182.15286	1.0
185.11679	2.5
186.12090	4.0
196.09697	3.6
203.12840	2.8
204.13240	4.2
210.14915	1.4
256.20288	0.8
307.45200	0.8
354.23877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93524	1.3
62.48672	0.5
69.69927	1.0
69.70332	2.1
70.06600	0.8
71.93021	1.0
72.93799	1.2
74.00689	1.1
84.04507	1.0
86.06081	0.8
86.09715	100.0
87.04498	0.7
89.94030	0.7
90.94867	0.6
104.07107	0.9
127.03074	0.5
127.03960	0.6
131.95081	1.1
132.10217	82.7
133.26518	0.5
144.95811	0.5
145.06105	0.6
149.96146	0.8
150.00406	0.6
161.96193	0.7
164.10725	1.0
189.85468	0.5
190.09723	0.8
201.95782	0.6
215.97311	0.7
219.43370	0.5
235.02161	0.8
261.97650	1.2
266.09265	0.5
347.17133	1.6
382.08026	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
55.05510	4.5
57.07081	20.5
67.05514	4.2
69.03411	1.6
69.07069	5.6
70.07396	1.6
71.04983	1.2
71.08638	41.6
71.53369	1.9
73.06553	5.1
79.05489	3.4
81.03486	1.4
81.07062	5.6
83.04951	1.4
83.08622	3.3
85.10194	22.8
87.04491	1.5
89.06040	100.0
91.05502	2.7
93.07042	4.2
95.04990	2.5
95.08609	2.8
96.81429	1.4
97.06562	2.2
97.10168	1.3
100.42271	1.2
105.07050	4.5
107.07085	3.5
107.08626	3.3
109.10197	2.8
119.08598	2.7
121.06512	1.5
121.10162	1.8
127.14856	4.7
130.08678	3.0
133.08618	43.8
133.10117	2.6
134.10461	1.4
145.10161	1.9
151.09647	3.5
161.09595	1.4
171.17426	6.2
177.11263	12.3
195.12265	2.9
215.20062	11.0
221.13596	2.0
222.30305	1.6
239.14923	28.8
259.22772	6.4
299.16220	1.5
302.30783	2.3
321.26239	2.3
365.29041	60.0
382.23862	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	382.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33383	1.6
55.05502	6.6
57.03440	4.1
61.02925	3.8
67.05502	12.2
69.03442	15.4
69.07088	19.3
69.71823	8.2
70.06587	7.9
71.05003	26.9
73.02915	3.3
79.05055	2.7
79.05497	22.5
81.03424	3.1
81.06728	1.5
81.07082	15.8
83.04984	6.6
83.71761	1.6
84.04504	3.0
84.08154	4.4
85.02921	23.7
85.06525	3.8
86.09721	6.7
87.04477	27.3
91.05504	3.0
91.39525	1.6
93.07051	45.1
95.08627	33.9
97.02888	6.4
97.06550	10.8
101.06026	4.4
107.08582	6.8
109.02881	2.1
109.10151	3.1
115.03940	27.3
120.08120	3.3
121.10154	71.0
125.06020	3.5
127.03959	2.4
129.05463	5.3
136.07593	8.1
139.11198	75.3
140.07083	2.5
145.04979	2.5
149.09612	8.1
151.46707	2.0
157.12263	100.0
163.03908	3.0
164.07098	11.5
167.10719	14.6
182.08127	9.0
185.11749	55.7
203.12801	72.9
212.87126	1.8
219.97453	1.8
238.21545	2.0
284.15451	1.9
328.34427	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	382.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52105	0.6
54.72573	0.7
55.01886	0.9
55.39886	0.7
58.83568	0.8
69.41470	3.2
69.41875	1.4
70.06591	0.9
72.08152	1.2
73.02962	0.7
74.00665	2.2
84.04506	2.0
84.08157	0.9
86.09729	0.8
90.05558	1.2
91.05462	0.9
92.37332	0.9
93.07041	1.0
98.21532	0.8
100.11280	0.9
103.05470	7.0
107.04972	1.3
120.08116	100.0
129.23398	0.7
130.05016	1.1
131.04927	2.3
131.99367	1.4
135.04378	1.2
136.07614	1.0
149.06039	2.6
162.02147	1.0
163.03949	1.8
166.08656	53.3
199.05719	0.7
202.10739	1.5
208.91966	0.8
220.11818	1.1
235.02116	2.5
346.14911	1.1
364.15982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.05512	4.1
56.05042	3.8
60.04516	7.1
61.02949	3.2
63.92981	3.1
65.13107	3.0
69.01279	3.3
69.03432	17.3
69.07076	5.3
70.06598	16.2
71.01366	3.7
71.51532	4.5
72.08156	18.3
73.02911	3.0
74.06081	16.5
79.05476	3.3
81.03410	15.3
81.07047	3.9
83.04987	3.4
84.04502	5.0
84.08131	12.0
85.02917	46.1
86.09723	18.2
87.00838	23.9
91.05471	18.8
93.07075	3.2
95.08601	4.4
97.02931	18.2
97.03465	2.9
97.06548	5.4
99.04431	5.3
99.08109	100.0
105.01886	34.2
107.08646	5.1
109.02895	12.5
110.07182	6.9
117.09145	43.6
119.04966	18.1
120.08089	7.5
121.06567	3.2
121.10184	3.2
125.09646	7.6
127.03922	29.6
129.10271	5.4
136.06483	5.1
136.07585	60.6
139.11209	7.5
145.04967	13.5
147.04416	15.3
152.03342	3.3
152.05650	10.3
152.07053	3.7
159.02924	6.1
163.03880	10.7
164.65211	3.5
167.10707	14.9
172.46938	3.4
174.09145	3.4
185.11844	15.5
188.07277	3.6
192.10168	21.6
201.12329	4.2
203.12813	14.7
219.13487	12.9
230.68245	3.6
231.05013	9.2
237.12338	21.5
249.06026	7.4
250.13063	8.1
265.11862	23.6
271.59412	3.2
274.30930	3.5
291.06931	3.4
382.15570	6.3
382.28101	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1708
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
57.07069	2.0
58.77743	0.8
59.04989	1.7
65.41420	0.8
67.05503	1.7
69.03439	1.1
69.07058	2.7
69.61387	3.2
69.61804	1.5
70.02959	1.6
72.04520	7.5
73.02917	1.8
74.02427	0.9
85.02899	3.4
85.06535	4.6
86.09731	1.2
86.98922	0.8
90.05556	49.2
94.49648	0.9
95.04974	3.5
96.08079	1.0
97.02898	0.9
98.02427	6.4
100.03986	1.3
103.07598	2.0
113.06018	1.0
116.03455	6.5
124.07612	7.7
127.03912	0.8
141.49088	1.0
142.08636	2.6
147.04422	1.8
166.08656	1.4
184.09682	12.5
202.10730	18.7
202.12520	1.5
220.11809	100.0
382.07233	0.9
383.09787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.05515	28.7
57.07074	13.4
57.48874	2.8
59.05007	22.1
65.03923	3.1
65.38078	2.9
67.05505	33.9
69.03415	3.5
69.07078	21.1
71.00992	7.6
71.04978	5.6
71.56712	2.6
79.05505	32.7
81.07062	47.8
83.04966	4.3
83.08614	7.6
85.06549	66.6
91.05486	42.4
93.07045	39.5
95.04974	8.7
95.08605	42.1
97.06551	3.3
99.08105	4.6
105.07037	64.9
107.08614	42.6
109.06541	8.0
109.10166	23.5
111.08083	34.8
115.05451	7.2
116.06206	4.5
117.07012	24.3
119.08588	100.0
121.10157	31.8
123.08000	6.2
123.11726	7.2
125.09645	7.3
128.06248	13.5
129.06993	10.6
130.07799	13.7
131.08583	54.8
133.06523	3.8
133.10139	43.0
135.08049	10.3
135.11693	20.0
137.09605	9.1
141.07013	6.6
142.07762	17.5
143.08560	34.5
144.09349	5.5
145.06531	4.6
145.10136	67.5
147.11687	16.4
149.09642	9.4
149.13263	4.7
151.11197	10.2
155.08568	12.7
156.09355	11.8
157.10152	41.8
158.10918	8.9
159.11705	28.5
160.08942	3.8
161.13260	6.7
163.11238	21.6
167.08572	6.8
168.09340	5.2
169.10080	16.0
170.10938	7.5
171.11710	22.5
172.12520	3.4
173.13295	24.9
175.11189	26.1
175.14873	18.5
179.08604	7.7
180.09225	4.3
181.10081	7.1
182.10860	3.6
183.11685	21.2
185.13309	7.0
187.14806	7.4
189.12758	4.8
191.14380	3.1
193.10136	6.6
194.10951	7.7
195.11725	18.6
196.12466	3.7
197.13258	16.2
199.14809	5.9
201.12773	5.1
201.16441	6.4
207.11699	4.9
208.12442	3.8
209.13306	26.7
211.14836	5.7
213.16292	3.5
215.14392	3.6
217.15948	3.6
219.11703	3.8
221.13321	5.3
223.14838	7.6
235.14867	7.3
237.16415	4.4
239.18028	7.2
249.16373	5.5
251.17967	3.8
253.19530	2.9
265.19498	4.9
271.20831	3.7
275.18054	4.8
289.21671	11.5
325.88098	3.1
331.30096	5.2
335.28314	2.9
349.25403	8.5
349.30942	11.5
351.29752	3.1
381.23785	4.7
381.28149	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	381.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87916	5.6
55.05506	20.9
58.69696	6.2
59.79174	6.4
60.68338	5.8
67.05515	37.1
69.07069	33.1
71.04982	10.0
71.51837	9.0
78.22427	6.5
79.05503	37.0
81.07059	53.3
81.37746	6.6
83.08629	13.6
85.06546	9.8
88.12805	6.2
91.05481	60.3
93.07046	73.4
95.04965	17.4
95.08601	45.8
97.06528	20.0
97.10206	7.0
105.07027	100.0
107.08605	48.3
109.06503	15.0
109.10186	36.7
111.08051	9.0
113.21207	5.6
117.07037	17.1
119.08575	86.6
121.06512	10.1
121.10146	64.6
123.08076	7.8
123.11744	11.2
128.06229	13.4
129.06996	12.6
130.07709	9.1
131.08563	49.4
133.10120	58.9
135.08049	18.8
135.11707	17.6
142.07802	11.3
143.08560	25.6
145.10130	43.2
147.11687	20.1
149.09630	10.8
155.08617	8.4
156.09373	11.3
157.10091	33.8
159.08005	7.2
159.11716	25.2
161.09627	26.0
161.13322	12.0
163.11230	6.0
163.14850	7.0
169.10162	17.4
170.10873	6.4
171.11665	16.2
173.09648	13.0
173.13295	13.1
175.14824	13.8
177.12898	7.1
181.10138	11.7
183.11667	17.5
187.14850	15.2
201.16373	7.3
209.13246	17.3
227.14330	6.9
229.15808	10.7
239.18077	6.6
349.25482	10.0
381.23795	29.9
381.31628	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	381.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99591	6.4
55.05514	33.4
57.07061	16.2
59.04993	24.9
67.05496	30.2
69.07053	17.5
69.87944	24.0
71.04981	8.8
72.45966	5.5
79.05495	35.4
81.07065	35.0
83.08631	10.5
85.06554	66.2
91.05493	41.1
93.07045	40.5
93.94427	5.5
95.04948	11.8
95.08587	40.2
97.41264	5.7
105.07031	71.4
107.08605	32.3
109.06416	5.9
109.10160	32.8
111.08091	33.6
115.05440	9.8
117.06993	30.6
119.08586	100.0
121.10129	29.5
122.78728	6.2
123.08022	12.3
123.11728	6.8
125.09618	8.8
128.06203	15.8
129.06973	10.7
130.07823	8.0
131.08580	74.0
133.10133	57.7
135.08067	11.4
135.11696	23.5
137.09615	7.2
141.04527	6.0
142.07774	16.5
143.08556	43.0
144.09473	5.8
145.10138	66.9
147.08012	8.9
147.11671	23.3
149.09575	14.8
151.11227	7.9
155.08563	12.3
157.10126	35.5
158.10829	6.3
159.11717	34.6
161.09625	7.8
161.13255	9.5
163.11179	14.9
169.10117	13.8
169.15836	6.0
171.11679	14.5
173.13287	28.1
175.11154	32.2
175.14824	20.8
179.08525	10.0
182.10864	8.1
183.11719	20.6
185.13258	16.4
187.14777	6.6
194.11008	7.2
195.11815	17.8
197.13200	14.0
199.14833	6.8
201.12787	10.8
201.16376	9.6
209.13268	21.6
239.17966	9.3
251.17950	6.7
289.21594	11.9
302.22720	6.6
349.25220	8.2
381.23843	8.8
381.28033	13.6
381.35059	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27840	3.2
53.03932	13.3
55.01881	18.7
55.05515	96.7
57.03440	33.7
57.07079	3.7
59.05010	5.0
65.03932	6.9
67.05509	99.5
68.56372	3.4
69.03413	10.7
69.07069	35.3
69.71295	4.0
71.04991	46.5
71.52510	3.8
73.06550	10.6
79.05495	95.0
81.03407	13.5
81.06593	6.3
81.07062	100.0
83.04994	22.7
83.08154	5.8
83.08626	85.5
85.06551	10.2
87.04456	3.9
91.05486	81.0
93.07050	89.3
95.04975	95.3
95.08611	69.3
97.06539	19.4
97.10162	14.5
105.07035	69.4
107.04964	35.0
107.08595	59.2
109.02890	4.8
109.06523	22.0
109.10156	34.8
111.08099	23.9
117.07008	34.2
119.07799	6.2
119.08586	60.3
121.06506	25.3
121.10158	41.9
122.07287	7.7
123.08107	18.2
123.11726	9.0
125.09631	17.3
128.06227	4.6
129.06989	14.5
131.08585	45.0
133.06503	5.6
133.10138	44.3
135.08087	18.8
135.11697	23.9
137.09613	12.2
139.07611	3.7
139.11116	4.3
141.07019	5.3
142.07773	4.8
143.08572	19.7
145.10147	43.9
147.08014	14.8
147.11703	28.5
149.09625	60.3
149.13229	8.8
151.07581	5.9
151.11169	5.7
155.08557	10.0
157.10126	14.3
159.08009	4.0
159.11690	27.1
161.09615	16.4
161.13258	8.1
163.07547	5.2
163.11195	51.3
164.11829	5.0
165.09036	4.3
165.12798	7.8
169.10155	10.7
171.11687	9.9
173.09648	19.3
173.13258	13.2
175.11220	7.2
177.12772	17.2
179.10658	3.5
179.14265	4.1
181.10222	4.2
181.12219	3.9
181.46664	3.3
183.11702	8.7
187.11246	7.9
187.14970	5.2
189.11287	8.0
189.12820	8.7
197.09630	3.9
197.13333	6.1
201.12749	9.4
205.12245	18.4
207.13794	7.8
216.92543	3.6
221.11456	8.4
223.13295	13.9
229.19444	8.4
239.17990	16.9
247.20535	9.7
257.19147	20.6
275.20084	99.2
279.15689	5.3
289.18082	4.5
293.21194	12.3
307.22556	5.2
349.23904	32.9
381.24710	61.5
381.25580	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.9
55.01874	22.0
55.05273	5.2
55.05518	75.9
57.03441	25.5
57.07060	4.1
65.03936	5.9
67.05509	98.4
69.03441	7.9
69.07070	37.5
71.04996	42.8
71.53145	5.2
71.72031	4.2
73.06543	5.8
79.05501	95.5
81.03416	11.8
81.07061	98.3
83.04996	19.4
83.08633	65.0
85.06530	14.2
91.05486	69.6
93.06481	8.2
93.07047	94.9
94.94888	3.6
95.04973	94.4
95.08614	60.7
97.06542	19.6
97.10194	8.7
99.08057	4.8
105.07047	73.0
107.04951	35.7
107.08600	54.2
109.06535	23.0
109.10152	29.4
111.08078	16.2
112.95657	3.6
113.09663	3.9
117.07014	29.5
119.08598	55.5
121.06498	26.9
121.10151	45.1
123.08104	23.2
123.11713	8.1
125.06023	5.9
125.09667	18.8
128.06226	4.7
129.07005	8.7
131.08592	47.4
133.06488	8.9
133.10132	46.3
135.08067	20.6
135.11728	23.9
137.09639	13.0
139.11201	4.7
141.07039	4.1
142.07750	6.1
143.08574	14.0
145.10133	51.6
147.08054	15.4
147.11716	29.2
149.09642	59.8
149.13205	5.5
151.07524	8.4
151.11197	7.5
153.05414	4.3
155.08546	9.8
157.10144	12.6
159.11700	27.8
161.09621	15.3
161.13361	7.3
163.11186	62.4
165.09064	5.2
165.12819	8.5
167.10733	4.4
169.10141	9.8
171.10248	3.7
171.11691	10.1
173.09575	18.9
173.13260	14.1
175.11189	9.6
177.12782	14.6
179.14246	4.9
181.10150	5.3
183.11697	7.8
185.13310	4.6
187.11237	7.0
187.14853	5.1
189.11215	8.3
191.56848	4.0
197.13254	13.2
201.12764	4.5
203.14189	4.7
205.12291	15.4
207.10068	5.4
207.13821	7.6
219.13849	4.0
221.13315	4.3
221.15347	6.5
223.13306	12.7
229.19530	11.4
239.17981	14.0
241.78000	4.0
257.19052	29.3
259.54196	4.3
261.14862	5.2
275.20078	100.0
279.15738	7.1
293.21225	5.4
307.22647	6.3
331.22690	5.0
349.23761	34.1
381.24213	59.6
381.25604	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34782	3.8
53.03940	6.0
55.01878	40.8
55.05516	40.0
57.03438	7.5
61.37319	3.9
65.03914	5.0
67.05503	55.9
67.73470	3.5
69.03425	14.6
69.07070	40.8
70.06595	30.1
70.08418	3.5
70.64124	6.8
70.64466	7.8
71.05000	33.5
72.08139	14.6
73.02881	4.4
79.05492	52.7
81.03412	13.8
81.07049	48.4
83.04977	23.3
83.08624	43.2
84.08163	19.2
85.02915	19.9
85.06548	30.6
86.09703	32.2
88.03946	3.6
91.05481	69.2
93.07045	62.1
95.04970	30.8
95.08609	54.9
97.06510	19.8
97.10173	7.3
99.04454	5.2
99.08106	9.2
101.06054	3.6
105.07043	31.9
107.04933	16.7
107.08578	36.2
109.06544	9.8
109.10142	29.1
111.04443	6.5
111.08076	24.4
113.05996	4.1
113.09643	4.7
115.05507	4.4
115.07551	4.8
116.53458	3.9
117.07005	15.9
119.04932	6.3
119.08585	67.0
120.08100	9.3
121.06524	6.3
121.08393	4.2
121.10149	24.3
123.08073	24.8
125.09631	100.0
129.06967	12.8
129.09096	12.7
129.10143	3.8
130.06453	3.8
131.08566	33.3
132.08031	7.6
133.10147	31.0
134.82732	3.7
135.08015	11.8
135.11690	13.9
137.05930	7.0
137.09602	40.0
139.11128	6.8
141.06960	4.7
143.08553	5.5
145.10135	28.4
147.04398	29.7
147.08066	20.3
147.11682	11.5
149.09625	19.1
149.13179	5.2
151.03896	4.3
151.07555	8.0
151.11145	4.5
153.09093	5.2
155.08603	7.0
155.10725	19.7
157.10144	10.2
159.09181	7.9
159.11707	13.9
161.09610	15.5
161.13237	7.8
163.03952	10.7
163.11226	24.9
164.07068	5.0
165.09119	13.3
167.10709	4.2
170.05925	8.1
171.11668	12.9
174.06789	5.7
177.12819	4.8
179.10808	7.3
181.12167	9.1
183.10141	7.3
185.09613	5.2
189.09047	6.9
189.12762	4.4
191.10710	6.3
201.09248	5.6
201.11151	16.1
201.14886	6.8
203.10666	16.6
213.16370	8.1
219.10164	32.4
221.11624	5.1
227.12762	5.2
227.17938	9.4
237.16449	8.5
247.20563	7.0
249.18510	10.8
255.17357	19.6
267.19165	3.8
273.18488	44.4
291.19565	97.6
309.20648	62.6
327.21609	22.0
345.22552	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2424
Annotation	5-Methyl-4-hydroxy-3-farnesylcoumarin
Peak:m/z	Relative Intensity
55.01867	1.0
55.05502	1.6
57.03424	1.1
57.07076	2.4
59.04987	1.1
65.03954	0.5
67.05238	0.4
67.05511	4.1
68.31104	0.4
69.03439	2.6
69.07055	1.3
70.96380	1.1
71.04987	0.9
79.05492	4.9
81.03400	1.0
81.07060	7.3
83.04979	1.5
83.08591	0.4
85.06541	1.9
91.05485	7.8
93.07047	7.1
93.09632	0.4
95.04973	13.2
95.08617	3.8
97.06543	2.1
97.27041	0.5
105.03403	0.5
105.07034	12.7
107.04957	2.1
107.08594	4.4
109.06511	5.6
109.10157	1.8
115.05437	1.0
117.07026	3.3
119.04959	1.3
119.08580	8.6
121.06525	2.5
121.10144	3.6
122.07282	0.8
123.04421	0.6
123.08074	5.6
125.05952	0.4
128.06235	2.4
128.07011	0.4
129.07039	2.6
130.07796	1.3
131.08575	8.1
132.09404	0.5
133.06482	2.7
133.10136	7.2
135.08061	4.8
135.11658	0.6
137.05977	1.2
137.09612	1.3
139.07509	0.8
141.06985	1.2
142.07782	2.7
143.08566	6.1
144.09296	1.3
145.06488	1.9
145.10118	8.1
146.07265	1.2
147.08055	6.1
147.11676	1.4
149.09641	2.5
151.07555	7.0
153.05490	0.9
153.06987	0.5
155.08545	2.5
156.09384	2.3
157.10120	6.0
158.07303	1.1
158.10887	1.3
159.08064	3.0
159.11700	4.8
160.08772	0.6
161.09625	6.6
161.13260	1.0
163.07611	0.8
163.11145	0.8
165.07028	0.9
165.09146	3.3
166.07799	0.5
167.07193	0.5
167.08559	0.9
168.09300	1.1
169.10143	3.1
170.10863	0.9
171.08052	1.1
171.11710	3.8
172.08879	1.4
173.09633	14.6
173.13235	3.6
174.10223	0.6
175.11192	1.8
177.09143	1.9
178.07758	0.4
179.08554	1.1
180.09302	0.8
181.10101	1.9
182.10965	1.5
183.08101	0.5
183.11723	3.7
184.12460	0.9
185.09689	1.1
185.13297	1.5
186.10443	1.2
187.11191	2.0
189.12781	2.4
191.10684	0.8
192.09315	0.6
193.10173	1.2
194.11000	0.8
195.11778	2.5
195.13698	0.5
195.86557	0.4
196.12515	1.0
197.09679	1.3
197.13246	2.5
198.10420	0.7
199.11148	2.4
200.11922	0.6
201.12776	2.7
203.10843	0.5
203.14334	1.2
207.11679	3.0
207.13795	2.5
208.12599	0.6
209.13300	2.4
210.14146	0.8
211.11215	1.6
211.14836	1.5
212.11903	0.9
213.12770	2.5
214.13698	0.5
215.10707	1.3
216.09430	0.5
217.10266	0.7
219.11821	0.7
220.12541	0.8
221.13287	1.4
221.15410	1.9
223.11263	1.2
223.14839	1.1
224.11981	0.5
225.12773	1.0
225.16299	0.7
227.10577	0.5
227.14302	0.8
229.12186	1.4
232.12497	1.1
233.13255	0.7
233.15404	1.7
235.14948	0.9
239.14384	0.7
241.12285	0.6
242.12961	0.7
246.14175	0.4
247.14777	1.2
249.12779	0.7
253.15880	0.7
257.15671	0.5
260.45404	0.4
261.16245	0.8
263.14267	1.2
265.15985	0.8
271.47418	0.4
279.17554	0.8
280.18198	0.5
281.15604	0.4
285.18610	0.6
297.18555	0.5
305.19186	0.6
307.16736	0.6
325.18063	0.9
335.18655	0.8
345.22311	0.5
363.23114	2.6
381.24255	100.0
382.24606	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	381.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55361	0.5
53.03946	1.0
55.01860	1.7
55.05503	2.5
57.03430	1.0
57.07062	2.5
59.05000	1.7
63.15615	0.5
65.03937	0.8
67.05511	4.4
69.03423	2.5
69.07060	2.9
69.70470	2.5
71.04984	1.1
74.09648	0.5
76.16428	0.5
78.71516	0.5
79.05494	6.8
81.03427	1.0
81.07052	8.8
83.04987	2.6
83.08591	0.9
85.06545	2.2
91.05479	7.9
93.07043	8.8
95.04977	15.3
95.08606	3.6
97.06532	2.5
99.04448	0.8
101.02458	0.5
103.05489	1.3
104.86589	0.6
105.07034	13.8
107.05004	1.3
107.08597	5.3
109.06518	5.3
109.10163	2.2
111.04477	1.1
115.05510	1.0
116.06250	0.8
117.07024	3.4
119.04948	1.7
119.08585	10.0
121.06548	3.5
121.10162	3.3
122.07332	0.7
123.04430	0.6
123.08083	6.1
125.09645	1.1
128.06250	2.0
129.06984	3.1
130.07767	1.6
131.00063	0.6
131.08574	8.1
133.06493	2.7
133.10132	7.0
135.08067	4.9
135.11713	1.6
137.06007	1.5
137.09654	1.0
139.07605	0.6
141.06996	1.7
142.07796	2.1
143.08575	6.4
144.09364	1.5
145.06482	1.4
145.10139	9.2
146.07182	1.2
147.08072	5.5
147.11707	1.6
149.05951	0.6
149.09630	3.7
151.07564	6.7
153.05615	0.7
153.06953	1.1
153.09114	0.6
154.07784	0.7
155.08577	2.5
156.09354	1.3
157.10106	6.8
158.07321	0.9
158.10930	0.9
159.08061	4.3
159.11655	2.9
160.08932	0.6
161.09628	8.6
161.13252	1.2
163.07611	1.2
163.11197	1.7
165.07007	1.2
165.09142	2.7
167.08556	1.5
168.09341	1.5
169.10126	3.5
170.10974	0.6
171.08150	0.7
171.11661	4.2
172.08878	1.0
173.09645	13.9
173.13232	3.5
175.11189	1.2
177.09114	1.7
179.08521	1.1
179.10648	0.9
180.09140	0.7
181.10143	2.5
182.10909	1.2
183.11708	3.7
185.09593	1.3
185.13300	1.0
186.10420	1.6
187.11209	1.7
189.11243	0.7
189.12723	3.1
191.08464	0.7
191.10895	0.6
192.09363	0.8
193.10190	1.9
193.12193	0.7
194.10931	1.1
195.11696	2.9
196.12506	1.2
197.09612	1.0
197.13306	2.0
198.10307	0.8
199.11209	3.0
201.09071	0.7
201.12813	3.6
205.10342	0.8
207.11742	2.8
207.13863	2.8
208.12463	0.7
209.09605	1.1
209.13289	1.6
211.11259	2.4
211.14816	1.6
212.11940	0.8
213.12817	1.8
215.10735	1.5
221.13211	1.8
221.15381	2.8
222.14026	0.7
223.11264	1.2
223.14964	1.1
225.12813	1.6
227.10643	0.9
229.12267	0.9
231.11717	0.9
237.12787	0.7
238.17238	0.8
239.14331	0.8
241.12250	0.7
242.12970	0.7
243.13823	0.9
247.14859	0.9
249.12741	0.7
253.15970	0.9
263.14435	1.1
265.15912	1.0
267.13834	0.8
279.17471	0.7
289.18060	2.8
307.16769	0.9
325.17896	1.2
363.22906	2.4
381.24258	100.0
382.24615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	3.6
53.03937	7.3
55.01875	17.0
55.05274	2.9
55.05515	45.7
57.03440	18.3
57.07059	10.3
59.04979	3.1
61.02878	2.2
63.26917	2.8
67.05180	3.5
67.05504	48.2
69.03416	6.8
69.07072	66.4
70.69826	4.3
70.70178	5.9
71.04971	8.1
71.08612	5.0
71.92351	2.9
79.05083	3.4
79.05498	50.9
81.03397	8.9
81.07056	100.0
83.04971	11.9
83.08625	23.9
85.02882	2.8
85.06533	3.8
85.10182	3.1
88.76939	2.1
89.55102	2.4
91.05482	39.7
93.06496	3.9
93.07044	43.1
95.04967	21.0
95.08158	2.3
95.08614	26.6
97.02887	4.3
97.06498	9.4
97.10174	25.1
98.76809	2.4
99.00813	7.2
99.04410	2.8
105.07039	34.5
107.04958	14.9
107.08606	33.0
109.02856	11.0
109.06531	12.6
109.10155	21.9
111.04422	9.2
111.08089	8.0
111.11705	3.6
115.05456	2.7
117.07015	22.2
119.08590	30.4
121.06505	11.4
121.10144	14.3
123.04440	3.5
123.08050	6.7
123.11671	7.1
125.09620	22.7
128.06235	3.2
129.06985	8.0
131.08586	17.8
132.05640	2.5
133.06453	4.9
133.10138	42.0
135.08057	19.2
135.11713	12.3
137.09576	7.6
143.08540	10.3
145.06528	5.9
145.10136	30.8
147.08025	5.1
147.11714	12.6
149.09612	5.1
149.13283	3.6
151.11153	6.1
153.09062	5.0
157.10158	11.7
159.08043	6.0
159.11707	18.1
161.09674	13.5
161.13223	5.7
163.07555	11.4
163.11156	5.7
165.09042	2.8
171.07974	3.0
171.11636	5.7
173.09622	7.4
173.13260	6.7
179.10640	10.3
181.12207	4.0
183.11703	3.7
185.13277	4.6
189.09132	7.1
189.11208	13.7
191.10680	5.3
193.12201	14.4
194.10794	2.5
199.14841	4.4
201.16411	2.7
227.12776	3.3
235.13235	3.2
243.17442	6.9
261.18536	6.2
271.16983	7.9
289.17957	34.5
307.19241	4.8
381.22729	92.7
381.35239	32.3
392.00656	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	381.2271
Annotation	(-)-Galbonolide A
Peak:m/z	Relative Intensity
51.02390	1.0
53.00304	2.0
53.03954	5.2
55.01874	19.3
55.05512	42.7
56.96542	1.1
57.03440	19.9
57.07076	1.2
59.04989	3.1
65.03936	2.5
67.05506	38.6
69.03439	6.2
69.07071	51.8
69.20117	7.7
71.01373	1.4
71.04991	6.8
73.02906	1.4
73.06563	1.1
78.89280	0.8
79.05497	48.9
80.89976	0.8
81.03419	11.1
81.07059	64.1
83.01335	1.2
83.04987	19.7
83.08156	1.4
83.08624	19.2
85.02894	3.7
85.06540	2.9
86.36620	0.9
87.04484	1.2
91.05486	33.6
93.03452	1.1
93.07047	41.1
95.04373	1.1
95.04971	16.3
95.08614	15.0
97.02884	3.6
97.06538	12.3
97.10175	23.6
98.97562	1.0
99.00811	4.1
99.04449	3.5
99.08101	3.6
102.62198	0.8
103.05477	1.2
105.04539	2.0
105.07036	28.5
107.04960	17.7
107.07873	1.8
107.08598	31.7
109.02888	10.5
109.06519	13.2
109.10160	13.1
111.04446	12.3
111.08085	7.4
115.05441	2.5
117.07031	14.6
119.04968	2.1
119.06082	0.8
119.08581	22.9
121.02885	4.9
121.06506	14.3
121.10143	9.1
121.39555	0.7
123.04448	6.8
123.08068	7.5
123.11694	2.8
125.05964	2.0
125.08769	1.7
125.09634	24.0
127.04020	1.1
128.06171	1.6
129.05548	0.9
129.07005	5.0
131.04900	1.2
131.08574	12.4
133.06532	5.7
133.10133	22.7
135.04393	2.7
135.08052	37.0
135.11667	7.1
137.05960	2.2
137.08665	1.1
137.09627	11.3
139.07556	7.2
141.06970	1.8
142.07779	1.1
143.08543	6.4
143.10619	1.0
145.06483	9.0
145.10124	10.3
146.07248	1.2
147.08051	7.2
147.11726	4.6
149.05984	2.5
149.09657	5.4
151.07549	2.0
151.11211	7.0
153.09103	7.2
153.12723	5.1
155.08528	2.2
157.06511	1.2
157.10115	3.6
159.08043	8.7
159.11693	4.9
161.09607	12.3
161.13263	1.5
163.07555	27.7
163.11183	7.3
165.09146	1.8
167.10463	1.0
169.10095	2.3
171.08037	1.5
171.10149	2.7
171.11703	2.5
173.09631	4.5
173.13251	2.6
175.11183	2.8
177.09116	3.5
179.10657	5.3
181.08630	0.9
181.12189	5.9
183.11700	1.8
185.09610	0.9
187.11203	2.5
189.09126	4.6
189.11224	16.7
189.12704	1.2
191.10658	5.2
193.12248	34.2
197.11655	1.4
197.13246	1.2
199.11151	1.0
201.12759	1.5
201.16446	1.1
205.12221	1.1
207.10098	1.5
209.11664	2.1
211.11394	1.3
211.13292	3.1
211.15022	1.0
215.14450	1.1
215.17842	0.9
221.11652	2.0
225.11243	3.0
225.16458	1.7
227.12755	7.3
233.15390	1.7
235.13138	1.7
239.12727	1.4
243.17468	9.0
245.13713	1.1
247.16849	1.2
249.14870	1.7
253.15977	1.8
261.18457	9.9
263.16379	1.0
271.16910	12.9
275.20078	2.5
277.10114	2.3
279.19672	1.4
281.13620	1.0
283.15353	7.1
289.17993	52.1
290.18616	1.0
307.19107	9.5
335.18527	1.0
349.23740	1.4
358.12875	1.6
363.21658	18.8
381.22711	100.0
387.12238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.4
52.63206	1.1
53.00309	1.9
53.03944	5.2
55.01876	17.8
55.05516	44.3
57.03197	1.6
57.03444	22.4
57.07083	1.1
59.04992	2.5
59.53412	1.0
65.03931	2.5
67.05509	39.2
69.03436	7.1
69.07074	48.3
69.72885	1.0
70.80805	2.8
71.04984	4.6
74.60939	1.1
75.04488	1.2
75.08321	1.1
79.05497	50.5
81.03423	11.6
81.07062	69.8
83.04987	16.5
83.08613	18.9
85.02913	4.1
85.06535	3.7
91.05488	35.4
91.06081	1.3
93.07048	38.7
95.04978	17.5
95.08611	17.1
97.02902	4.7
97.06551	7.8
97.10174	22.4
99.00835	7.6
99.04452	3.4
99.08051	2.6
103.05478	2.7
105.04509	1.9
105.07037	27.9
107.04953	19.5
107.08599	28.0
109.02887	10.2
109.06528	14.0
109.10171	13.4
111.04455	9.1
111.08102	7.6
113.06020	2.3
115.03979	1.4
115.05455	2.0
117.07037	14.6
119.04988	2.3
119.05997	1.0
119.08598	25.2
121.02849	2.4
121.06520	12.9
121.10163	10.2
123.04437	6.5
123.08090	7.9
123.11711	2.8
125.05994	2.3
125.09644	20.9
127.16508	1.1
128.06229	2.0
129.07004	5.3
131.08600	9.5
133.06502	4.2
133.10143	22.9
135.04449	1.2
135.08072	23.9
135.11676	6.3
137.05934	2.6
137.09615	9.7
139.07539	5.0
141.07021	1.7
142.07738	1.2
143.08632	6.1
143.10670	1.3
145.06471	7.9
145.10120	10.9
147.08038	10.5
147.11688	4.4
149.06001	2.3
149.09644	5.0
149.53381	1.2
151.07602	1.5
151.11151	5.6
153.09109	5.9
153.12767	5.7
155.08594	2.6
157.10147	3.1
159.08109	8.9
159.11688	3.4
161.09616	14.6
163.07545	17.4
163.11232	6.2
165.09109	3.3
169.10107	2.3
171.08104	2.8
171.10182	4.8
171.11676	2.6
173.09648	4.9
175.11169	2.3
177.09113	1.4
179.10663	8.3
181.08687	1.3
181.12206	5.1
187.11211	1.7
189.09148	5.4
189.11243	16.1
189.12737	2.3
191.10716	4.2
193.12250	19.3
197.11699	1.2
199.14854	1.3
207.10094	2.5
209.11752	2.2
211.13304	3.2
215.17926	1.6
221.11777	1.8
225.11137	2.5
227.12796	3.9
233.15439	2.1
235.13274	1.9
239.12706	1.4
243.17500	5.1
253.15878	1.8
261.18567	10.0
271.16983	12.1
283.15457	1.3
289.17996	36.4
290.18149	1.3
300.12265	1.3
307.19070	10.1
335.18542	2.0
358.12854	2.1
363.21710	6.3
381.22717	100.0
382.23047	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	381.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.8
53.03942	3.4
55.01879	15.1
55.05515	43.2
56.96558	3.1
57.03197	1.5
57.03446	18.7
57.07066	2.3
59.04988	4.0
61.02908	1.9
65.03936	2.7
67.05506	38.3
69.03432	6.8
69.07072	58.0
69.41409	11.4
71.04993	3.0
73.02917	2.9
74.92214	1.4
79.05498	46.1
81.03422	11.4
81.07062	68.4
83.04990	14.7
83.08628	17.0
85.02905	5.3
85.06554	2.9
85.41963	1.2
89.03883	1.3
91.05490	32.6
93.03403	1.7
93.06487	2.6
93.07050	35.0
95.04984	15.6
95.08607	14.5
97.02908	3.9
97.06528	10.3
97.10180	21.6
98.97585	4.5
99.00820	5.4
99.04456	4.2
99.08075	1.6
105.07034	23.3
107.04967	19.7
107.08606	27.5
109.02875	11.2
109.06531	10.1
109.10157	10.3
111.04463	10.2
111.08060	7.9
113.05982	2.0
115.05469	3.7
117.07020	11.7
119.04974	1.9
119.08581	22.0
121.02860	2.7
121.06533	11.8
121.10166	9.2
123.04435	6.4
123.08054	7.4
123.11700	1.3
125.09634	22.1
127.03908	1.4
128.06281	1.7
129.06989	4.1
131.00229	3.2
131.08533	9.4
133.06483	4.3
133.10129	18.5
135.08080	19.1
135.11685	5.9
137.05983	3.8
137.09625	9.1
139.07541	3.8
143.08580	5.1
145.06464	7.1
145.10136	9.4
147.08044	5.6
147.11690	3.8
149.01227	3.7
149.09619	3.4
151.07553	2.8
151.11229	6.8
151.15587	1.4
153.09108	7.0
153.12762	4.4
155.08513	1.9
157.10150	4.9
159.08018	8.1
159.11714	3.9
161.09619	13.1
163.07581	16.9
163.11185	6.1
165.09053	2.2
169.10126	2.4
171.08049	3.1
171.10222	3.2
171.11745	1.6
173.09642	3.1
173.13289	1.5
175.11172	2.9
177.09105	2.1
179.10677	7.0
181.12285	5.1
187.11200	2.7
187.52007	1.4
189.09151	4.5
189.11238	16.3
189.12758	2.4
191.10710	5.3
193.12271	20.5
201.12691	1.7
207.10202	2.6
209.11676	1.9
211.13251	3.7
219.09636	4.0
219.13858	1.6
221.11676	1.8
225.11230	4.1
227.12810	3.9
243.17445	7.7
252.09589	1.7
253.15863	2.3
261.18594	10.1
267.09045	3.6
271.14212	1.9
271.16913	10.7
279.19733	2.5
285.10123	4.6
289.17987	34.5
291.11832	1.7
295.78833	1.5
300.12262	29.0
300.62524	3.7
307.19040	11.4
363.21823	8.0
381.15262	23.5
381.22717	100.0
381.65002	2.6
382.23196	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	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.8
53.03949	4.6
55.01878	23.2
55.05518	16.9
55.25609	1.2
57.03440	24.1
57.07084	4.6
59.05001	3.0
61.02928	1.7
64.92763	1.1
65.03947	4.5
65.86102	1.0
67.05510	51.0
69.03420	6.0
69.07069	15.1
70.62617	2.0
71.04995	3.7
73.02926	1.5
79.05497	44.3
80.06303	1.4
81.03415	10.7
81.07063	45.1
83.01371	4.3
83.04990	20.8
83.08616	7.0
85.02928	3.4
85.06543	7.2
91.03991	1.2
91.05486	50.8
92.06278	1.9
93.03436	1.3
93.07052	38.3
95.04977	50.8
95.05568	2.6
95.08610	27.3
95.09175	2.2
96.05784	3.4
97.02874	6.4
97.06530	7.5
97.10186	3.2
98.07303	2.1
99.04465	1.8
99.08105	1.6
103.05495	5.1
105.04543	2.3
105.07040	49.7
106.07869	2.3
107.04964	60.4
107.08599	24.0
107.76478	1.1
108.05771	2.6
108.09365	1.2
109.06523	28.2
109.10169	12.3
110.07313	2.4
111.04468	5.3
111.08115	4.0
112.05232	5.5
113.06034	4.2
114.63967	1.1
115.05474	5.5
116.04753	1.5
117.07023	24.2
119.04929	5.7
119.08591	31.7
120.05740	1.8
121.02892	1.5
121.06503	19.5
121.07275	1.6
121.10137	10.4
121.10850	1.1
122.07301	10.2
123.04474	9.3
123.08065	13.1
123.11720	3.3
125.06030	4.2
125.09686	1.8
128.06265	5.1
129.05511	4.2
129.07037	12.3
130.07863	1.5
131.04994	2.6
131.08574	31.8
133.06506	24.5
133.07471	2.1
133.10127	19.1
135.04486	3.6
135.08055	16.0
135.08987	1.3
135.11700	8.2
136.08852	2.1
137.06010	5.3
137.09642	6.9
139.07602	1.9
141.06970	6.2
142.07860	5.0
143.07013	1.3
143.08597	13.5
144.09416	1.7
145.06491	15.5
145.10138	22.7
146.07318	2.1
147.08069	27.5
147.11717	6.6
149.06013	2.5
149.09621	8.5
149.13338	1.7
151.03960	1.2
151.07556	12.1
151.11230	1.6
153.07008	1.7
155.08578	7.9
156.09407	2.3
157.10149	10.5
158.07306	2.3
159.08064	9.6
159.11699	9.6
161.06021	1.5
161.09605	16.0
161.13286	3.9
162.10515	4.0
163.07581	2.4
163.11279	5.3
165.07059	2.1
165.09143	6.9
167.08618	2.2
168.09323	2.6
169.08841	2.2
169.10126	8.6
170.10895	1.4
171.08171	3.3
171.11682	11.7
172.08867	1.8
173.09642	15.4
173.11008	1.3
173.13271	11.2
175.11183	7.5
177.09212	4.6
177.12810	3.7
179.08621	1.8
181.10185	3.4
182.11081	3.3
183.11777	5.0
185.11787	1.4
185.13339	2.4
187.11278	4.6
187.14920	5.3
189.12852	5.5
191.10811	2.0
193.10283	2.7
195.11794	3.2
197.13322	6.2
198.10500	1.4
199.11264	4.0
199.14870	1.6
201.12799	4.0
203.14400	5.0
205.15941	5.7
207.11801	3.9
207.13792	2.0
209.13322	2.8
211.11308	3.6
213.12901	2.1
215.14359	7.2
217.15976	2.5
221.13448	2.0
221.15402	2.8
223.11340	1.5
223.15001	1.7
225.12837	2.7
233.15372	33.4
243.13861	2.8
245.18860	1.4
251.16432	6.6
253.15855	1.4
261.15021	4.0
261.18466	1.7
262.19427	2.0
263.14050	1.4
267.13788	1.3
271.16971	1.4
273.18491	7.8
289.18124	3.4
290.18866	7.3
307.19141	18.7
335.18610	28.5
335.22440	2.1
337.74304	1.2
347.22324	1.6
363.22418	2.3
381.17151	3.6
381.24121	100.0
382.24347	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
53.39114	1.0
55.01870	1.1
55.05495	1.9
56.05006	1.7
57.03460	1.9
59.81944	0.9
60.05662	1.0
61.02929	1.5
62.97946	1.1
66.46188	1.0
69.03440	10.6
69.07055	2.4
69.62148	6.4
70.02946	1.8
70.06581	3.6
71.04980	4.4
73.02911	1.8
74.06098	1.0
75.05602	1.5
81.03426	15.8
83.05006	1.0
84.04495	2.9
84.08148	18.2
85.02911	75.5
85.08459	1.3
86.09229	1.5
86.09715	19.6
87.10016	1.1
88.03996	4.5
91.05478	2.4
92.28451	0.9
97.02895	19.7
99.04463	43.0
103.03950	100.0
109.02887	12.8
120.08107	1.6
127.03931	98.2
129.10257	6.3
129.72043	0.9
136.07555	6.7
143.11826	3.5
145.04971	54.6
147.04419	2.1
163.06030	27.4
174.09154	0.9
187.06001	6.3
205.07088	3.4
214.12396	1.1
219.10005	2.0
253.07079	1.6
271.08066	3.7
289.09082	1.4
307.10226	2.3
341.74445	0.9
371.62109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84090	2.5
53.03942	10.4
54.16021	2.7
55.01875	19.8
55.05516	27.4
57.03435	9.6
61.02932	3.4
65.03938	4.5
67.05182	4.2
67.05515	59.0
69.03445	8.0
69.07068	25.1
69.31858	2.8
70.69975	6.5
71.04987	10.4
71.08638	2.4
71.62309	2.7
73.71022	2.4
75.01760	2.2
79.05068	5.1
79.05502	61.8
81.03426	19.6
81.07066	95.7
83.04982	21.9
83.08624	15.4
85.02910	5.3
85.06566	4.0
91.05497	40.6
93.07048	50.7
95.04968	30.7
95.08618	28.8
97.02882	3.7
97.06544	17.4
97.10185	10.3
99.04453	6.0
103.05512	2.8
105.07046	36.5
107.04972	27.5
107.08600	32.1
109.06532	22.2
109.10162	15.3
111.04452	28.6
111.08085	10.0
115.05455	3.0
116.06238	3.3
117.07019	22.7
119.04963	2.4
119.08592	41.6
121.06531	17.5
121.07251	3.1
121.10160	25.6
123.04394	3.7
123.08086	17.4
123.11711	3.5
125.06007	15.3
125.09632	12.1
128.06189	3.3
129.07030	14.5
131.04927	3.0
131.08572	23.8
133.06509	5.6
133.10135	16.4
135.08072	15.4
135.11688	16.3
137.09618	6.2
139.07629	3.0
143.08559	15.5
145.06479	3.1
145.10126	34.2
147.08069	18.2
147.11728	16.6
149.09637	16.7
151.07588	4.6
153.05490	6.9
153.09163	4.8
153.12759	6.2
155.08528	5.3
157.10165	9.8
159.08112	4.2
159.11697	11.4
159.51036	2.5
161.09602	11.3
161.13274	4.8
163.11186	23.2
165.09167	4.6
169.10162	5.0
171.11690	9.9
173.09604	13.7
173.13303	3.8
175.11183	4.7
175.14973	2.7
181.10147	4.1
181.12283	5.4
185.13216	4.1
189.11189	3.9
191.10645	22.5
193.12254	8.9
199.11272	3.8
203.14302	3.9
209.11719	2.6
209.26277	2.6
217.12230	8.3
223.13211	3.6
227.12836	3.1
227.17976	5.2
235.13396	8.4
245.19005	10.6
255.17484	8.8
273.18533	55.5
275.20087	7.3
289.18073	6.3
291.19574	100.0
349.23755	4.9
363.12381	3.4
381.18713	5.8
381.22751	16.7
381.26529	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	381.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
56.05053	3.7
56.96561	4.3
57.02533	3.2
57.03438	4.2
64.03085	3.3
67.05496	8.2
69.03420	11.0
69.07072	6.0
69.81541	11.5
69.81952	8.0
70.06591	29.3
72.08150	16.0
81.03429	4.6
81.07043	5.4
84.04532	5.0
84.08137	16.0
85.02908	19.9
86.09693	18.8
91.05476	6.9
93.07036	4.9
97.02899	12.2
97.10175	4.3
98.20855	7.3
99.04427	5.6
103.03950	9.9
105.07063	5.6
109.02878	4.0
109.10167	4.0
110.02430	5.0
110.07150	3.8
114.66498	3.9
119.08575	4.0
120.08101	15.4
121.10181	3.6
125.09534	3.7
127.03918	17.4
129.10246	7.1
134.91071	3.5
136.03937	4.1
136.07579	12.5
140.03372	4.3
140.95616	3.4
145.04927	11.2
147.04449	5.0
152.07097	3.7
155.05772	6.0
161.56332	3.9
163.03899	4.4
163.06099	4.0
164.07089	17.1
170.08192	10.3
177.05458	4.2
182.08150	10.1
187.10832	5.1
188.11057	6.4
198.09248	4.4
215.11763	5.1
219.00545	100.0
219.02461	6.8
229.09846	8.4
237.02682	4.6
243.11278	11.8
245.09235	5.7
257.09232	8.9
267.07654	14.9
271.10788	39.7
273.12473	5.2
285.08722	13.7
289.08835	3.6
299.10117	9.5
302.04288	12.0
313.08353	8.3
317.11313	22.0
319.12659	5.5
331.09128	12.7
331.12869	4.2
349.13846	11.0
349.60037	4.5
363.11905	5.0
381.05997	99.8
381.11276	5.4
381.18912	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12301	2.1
64.63408	2.2
70.42042	6.9
84.02433	2.6
96.85327	2.2
118.53236	2.2
168.36769	2.2
175.44318	2.2
208.62837	2.8
341.52487	2.4
381.07938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44449	1.9
63.00383	2.1
70.48341	3.2
77.19067	1.9
94.93053	2.1
110.71363	2.0
137.05273	2.0
186.91768	5.1
219.02837	3.2
220.29486	2.1
227.69603	2.0
229.18117	2.9
290.93008	2.8
367.29517	2.5
381.07983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.0
56.05032	2.9
67.05484	6.5
69.03430	6.2
69.07048	4.6
70.06589	15.2
70.75963	5.1
71.04987	3.7
72.08147	4.8
72.10645	2.4
79.05506	3.6
81.07050	8.6
83.08595	5.6
84.08148	12.7
85.02885	6.4
85.06570	2.8
86.09698	9.8
89.59025	2.8
91.05468	5.0
93.07042	2.9
95.04956	2.8
95.08601	7.4
103.03866	3.1
105.07030	3.2
107.08618	3.6
109.06503	3.4
109.10149	6.0
110.07150	3.7
116.07072	2.8
118.06527	2.6
120.08126	2.6
120.30145	2.6
121.10123	2.9
123.08052	2.6
123.11717	3.1
124.07602	4.6
127.03882	5.9
129.10194	5.9
131.08540	3.4
133.10095	4.9
136.06239	4.3
145.05038	4.5
147.04436	4.7
148.03922	4.8
149.09752	3.0
152.07088	3.6
160.07568	4.1
165.12773	2.9
165.16481	3.1
172.07570	7.4
175.08722	4.6
175.15662	2.4
183.17416	5.3
184.07576	17.3
186.09070	6.0
187.12370	4.3
189.10245	4.2
198.09160	11.5
199.08694	4.2
200.07069	18.4
200.09140	4.0
201.10243	10.8
201.18399	2.7
205.09767	2.9
208.86310	2.6
211.08629	6.2
212.07129	4.7
214.08786	2.9
215.08263	2.5
215.11815	12.6
216.96465	2.4
217.09767	8.9
225.12849	2.6
226.08696	6.6
227.08118	12.6
228.06525	6.2
229.09712	37.1
239.08130	4.2
243.11301	27.4
245.09241	50.2
253.09755	16.3
254.08076	2.6
255.07735	3.4
257.09262	18.0
258.85757	3.0
259.10696	5.9
271.10788	100.0
281.09241	23.6
285.12256	3.2
287.10281	40.4
299.10278	80.5
303.13361	6.2
313.11697	7.8
317.11337	17.8
319.12897	13.3
331.12881	50.1
349.13937	70.3
349.18250	3.1
381.15118	10.7
381.19388	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	380.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.5
57.07079	76.8
59.05003	5.8
69.07062	4.8
69.25801	24.2
71.08633	63.3
73.06544	3.0
76.42659	2.2
79.05544	3.0
81.07037	4.6
83.08662	3.7
85.10186	39.0
86.03602	2.3
87.04468	7.8
89.06036	100.0
91.05488	6.1
93.07055	2.7
95.04960	4.5
95.08611	4.7
97.06561	2.5
97.10187	5.1
98.20763	4.9
99.11731	7.0
103.03957	5.3
103.07568	2.9
105.07007	5.1
107.07083	9.6
107.08589	3.8
109.10169	3.9
111.11693	3.7
113.13267	5.4
119.08571	3.9
121.10138	3.9
131.08566	3.6
133.08611	42.4
133.10117	3.3
145.10025	2.4
147.10110	3.3
149.13161	2.7
151.09654	6.4
151.11221	2.6
163.09669	8.0
169.19576	2.7
177.09875	2.4
177.11200	11.9
179.33946	2.9
195.12297	82.5
196.12906	2.4
209.10388	2.7
217.22598	2.3
243.54530	2.9
257.24850	4.0
363.31021	92.9
381.23926	4.4
398.18710	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	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85218	2.1
53.03936	3.0
55.01870	7.4
55.05509	10.5
57.03426	4.5
60.04509	4.9
61.02919	3.8
67.05511	36.0
69.03432	29.8
69.07053	5.7
69.68339	8.1
69.68753	4.6
70.02917	2.4
70.06586	24.4
71.04992	78.7
72.08158	10.6
73.02939	3.2
79.05498	13.4
81.03416	10.9
81.07060	11.2
83.04964	3.3
83.08624	4.5
84.04505	4.9
84.08135	14.8
85.02911	34.6
86.09710	15.9
87.04478	39.0
91.05483	52.2
93.07043	59.2
95.04956	11.3
95.08611	100.0
97.02877	7.5
97.06543	4.3
98.20682	2.6
99.04478	5.1
99.08063	3.6
100.07645	2.2
101.05977	3.2
105.07025	8.6
107.04962	2.6
107.08612	7.0
109.02865	5.6
109.06515	4.8
109.10162	23.5
110.07193	6.3
111.08072	12.2
113.05984	4.2
115.03938	39.6
115.07574	3.3
117.07010	6.1
119.08585	78.0
120.08120	8.1
121.10139	5.3
122.84627	2.7
123.08072	4.9
124.07574	2.3
125.09640	5.1
127.03910	10.6
129.07054	4.2
129.10252	7.5
137.09634	44.8
141.05507	9.2
147.04486	3.0
147.08066	18.2
154.72850	2.3
155.10684	31.9
163.03873	2.4
165.09120	30.7
169.08624	9.2
171.10130	4.5
173.11681	3.0
177.97156	2.5
181.04973	3.2
183.10167	39.4
201.11217	61.8
214.85895	2.1
230.08006	4.7
309.12775	2.2
338.05377	2.2
350.64508	3.1
362.25397	2.4
380.10471	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	380.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51756	0.7
55.05510	6.7
57.03433	1.5
57.07048	0.9
61.02906	0.8
67.05505	10.5
68.95802	0.9
69.03423	4.2
69.07061	3.9
70.06596	1.8
70.94849	1.5
70.95190	1.5
71.04983	2.3
75.21941	0.8
79.05501	5.2
81.03413	1.5
81.07059	43.7
83.04980	2.5
83.08622	7.5
83.18790	0.8
85.02909	14.4
85.06539	1.9
86.09703	1.2
91.05482	7.8
93.07050	7.5
93.21143	0.8
95.04974	0.9
95.08612	8.3
97.02894	2.7
97.06523	1.9
99.04439	0.9
99.08089	1.2
105.07041	19.4
107.08600	6.8
108.40588	1.0
109.02907	1.6
109.06511	2.1
113.05993	1.1
119.08595	9.3
120.08082	0.9
120.63585	1.0
121.10144	19.7
123.08080	1.4
123.11710	100.0
124.12059	0.9
127.03916	3.1
127.07520	1.2
137.13252	5.1
145.04909	1.4
145.10117	1.3
147.11690	56.4
165.12758	69.8
181.09319	0.9
183.13818	25.2
201.05283	1.1
201.14792	5.7
342.14529	0.9
380.96097	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	380.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77938	0.7
55.01870	1.4
55.05518	6.8
56.05038	5.9
57.03430	3.6
57.07082	0.9
58.06588	4.3
64.48698	0.7
67.05511	12.0
68.05036	3.7
69.03422	1.3
69.07068	5.9
70.02953	1.2
70.06588	4.2
71.04974	0.9
71.52600	1.2
72.04515	0.9
79.05495	6.2
80.05009	3.1
81.07057	12.1
82.06583	6.9
83.08598	2.6
84.08143	12.3
85.06538	0.9
91.05464	2.8
93.07043	5.9
94.06586	1.7
95.08591	7.3
96.08121	3.0
97.06512	1.7
97.10144	0.9
98.06048	8.8
98.09702	1.4
98.98449	2.9
100.07608	1.1
100.11218	1.4
105.07027	2.7
106.72651	0.8
107.08582	2.0
108.08170	1.9
109.06514	1.0
109.10156	2.0
110.09669	1.9
117.06991	1.0
119.08562	2.8
120.08095	0.8
121.06493	1.0
121.10136	2.1
122.09607	1.4
123.08085	1.0
133.10179	0.9
133.85246	0.7
136.01601	2.3
147.11630	1.2
180.17490	3.5
181.35286	0.8
182.15454	1.0
188.82968	0.7
208.16969	100.0
209.17371	0.9
226.18010	24.0
226.20148	1.6
239.16434	11.5
264.19495	1.3
282.20642	9.5
285.04077	0.9
286.04681	2.2
288.13623	2.2
300.21710	1.1
301.07114	2.1
306.14621	14.7
306.17957	1.2
324.15723	11.0
362.12662	1.5
362.17258	34.0
380.18329	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03838	0.8
55.01768	0.8
55.05380	3.1
55.05692	2.1
57.06947	2.8
57.07259	1.5
59.04884	1.4
59.05159	1.0
67.05366	5.8
67.05772	2.2
69.06924	12.9
69.07346	4.6
70.43050	0.6
71.04848	2.4
71.05278	1.2
75.15878	0.6
75.69398	0.7
79.05341	5.2
79.05850	1.4
81.06903	10.8
81.07439	2.3
83.04844	1.6
83.05301	1.1
83.08479	2.6
83.09008	1.2
84.23682	0.7
85.06389	3.9
91.05314	5.0
93.06876	15.0
93.07537	2.7
95.04816	1.5
95.08440	8.6
95.09110	1.1
97.06351	3.4
99.07972	0.9
101.09492	6.7
101.10197	1.0
105.06860	5.7
107.08415	18.6
107.09202	2.5
109.06342	6.5
109.09972	2.6
111.07897	3.2
119.08399	5.6
121.06361	1.5
121.09963	7.5
123.07883	5.3
123.11518	2.1
125.09447	2.8
131.08456	1.4
131.22949	0.5
133.09961	2.3
135.07870	21.5
135.11501	4.5
137.05792	3.8
137.09464	1.4
137.13106	0.7
139.07550	6.1
143.08444	0.9
145.09978	1.3
147.07870	0.8
147.11493	4.4
149.09647	3.7
149.13269	5.2
150.06610	1.1
151.07425	1.2
152.08125	3.7
153.08931	2.1
157.10023	1.4
159.11569	1.5
161.09535	1.3
161.13094	0.8
163.11017	0.9
163.14723	0.9
165.09125	21.9
165.10451	0.9
165.12752	5.0
171.11580	0.7
175.10988	0.7
177.12775	12.9
179.14293	4.2
181.15825	3.6
183.13821	4.6
187.14394	0.6
189.12532	0.6
191.14320	4.1
191.36488	0.6
193.12061	0.7
195.11624	0.7
195.13678	1.4
197.15398	3.6
197.16805	1.0
201.14867	6.1
209.15372	7.0
215.16354	1.4
227.42656	0.6
247.10582	0.7
263.20004	2.3
291.19397	2.6
301.25140	0.6
305.20938	2.1
319.26248	2.0
323.22171	1.4
329.24716	2.1
347.25824	100.0
348.26175	2.2
361.27118	0.9
379.28494	30.0
380.28760	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	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03905	0.8
55.01840	1.2
55.05457	5.6
57.03398	0.6
57.07019	4.1
59.04937	1.7
61.02888	0.5
65.03909	0.6
67.05505	7.0
69.03360	0.7
69.07006	19.5
69.07412	1.4
71.04926	3.2
71.08578	0.7
73.06513	0.6
79.05496	8.4
81.07061	13.0
83.04929	1.0
83.08618	2.4
85.06553	4.7
89.05986	0.8
90.93908	0.5
91.05486	7.8
93.07049	18.2
95.04941	0.9
95.08609	11.1
97.06537	3.5
98.21547	0.8
99.08046	1.0
101.09660	8.7
105.07034	6.8
107.08601	20.0
109.06516	5.6
109.10166	3.4
111.08092	2.6
117.06987	0.7
119.08574	5.6
121.06441	1.5
121.10156	8.5
123.08064	4.8
123.11633	1.6
125.09538	2.1
127.07526	0.5
129.06943	0.6
131.08514	0.6
133.10147	3.0
135.08061	23.4
135.11687	4.4
136.08345	0.6
137.05986	3.1
137.09583	1.8
137.13229	0.7
139.07558	6.1
139.11151	0.7
145.10039	2.0
147.11705	4.9
149.09598	3.5
149.13278	5.4
150.06732	0.9
151.07545	0.9
151.11121	1.5
151.14848	0.5
152.08316	3.3
153.09052	1.9
153.12592	0.6
157.10081	1.0
159.11659	1.3
161.09554	2.0
161.13257	0.6
163.11122	1.2
163.14818	1.0
165.09126	21.1
165.12737	5.1
166.09822	0.6
173.13193	0.7
177.12773	12.7
179.10519	0.5
179.14357	4.4
181.12088	0.6
181.15892	5.0
183.13770	3.1
187.13245	1.5
189.12598	0.6
191.14349	3.9
193.12175	0.8
195.12109	0.5
195.13828	0.9
197.15430	2.7
201.14862	4.2
205.15880	0.8
207.13835	0.5
208.14516	0.7
209.15369	8.6
213.16451	0.6
215.16307	1.1
263.20087	1.6
263.53067	0.5
273.18225	0.6
291.19556	2.6
293.21405	0.5
301.25293	0.8
305.21140	1.7
319.26050	1.0
323.22195	1.7
329.24722	1.9
347.25827	100.0
348.26157	2.6
349.27039	0.6
379.28467	27.5
380.28412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.0
55.01885	1.6
55.05519	2.9
56.26754	1.5
57.03427	2.2
69.03435	14.8
69.07058	2.0
70.06602	15.8
71.04990	6.1
71.06943	2.2
72.08152	5.2
73.06561	15.6
78.63890	1.4
81.03423	21.9
81.07058	1.4
84.04520	4.1
84.08145	6.6
85.02912	49.1
86.09721	14.6
91.05502	3.9
93.07088	2.1
95.04979	1.5
97.02897	3.8
99.04462	28.2
103.03951	46.8
109.02884	22.6
110.07182	7.1
119.04932	2.3
120.08074	7.3
127.03930	100.0
129.10281	4.4
134.39357	1.4
145.04967	9.8
147.04449	4.3
158.59784	1.6
166.08774	1.4
176.56531	1.3
187.06090	6.9
216.08815	3.1
249.13638	2.7
253.07095	3.2
271.08105	2.5
379.10065	17.7
379.14267	2.8
379.18524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.01855	2.4
55.05518	27.8
55.47025	1.5
56.05029	1.9
57.03436	6.5
61.02920	1.9
68.59655	1.7
69.03437	32.2
69.07069	2.6
69.48383	11.7
70.06599	13.1
71.05006	9.6
72.08147	3.9
73.02919	3.2
73.06561	53.7
78.49237	1.8
81.03426	36.3
81.07029	2.2
83.04977	2.7
84.04511	2.6
84.08146	7.5
85.02914	82.3
86.09725	5.5
91.05499	3.7
95.04990	2.8
97.02897	60.8
97.06535	1.7
98.52538	1.6
99.04469	45.5
101.02390	3.4
101.06024	63.0
103.03951	50.7
109.02890	28.8
111.04417	2.4
111.56584	1.5
115.03925	2.1
115.07574	4.0
119.04947	3.7
120.08074	2.3
123.08124	2.7
127.03928	100.0
129.05511	2.3
129.10260	4.1
136.07607	2.2
140.07094	1.8
141.09152	3.1
145.04958	16.3
147.04417	6.4
155.07103	2.3
157.08687	9.0
163.06056	3.4
168.06577	4.2
169.08629	6.9
181.04936	2.7
181.08598	5.1
187.06085	7.3
199.09656	14.4
202.07304	1.9
204.08794	4.5
207.21478	1.6
216.08817	33.3
217.10759	6.9
218.10387	2.4
230.10497	3.2
240.08908	7.5
242.10405	4.3
246.09875	6.4
253.07132	3.0
258.09845	2.5
259.11771	26.8
271.08124	3.9
286.09317	11.2
343.14093	1.8
361.14746	1.9
379.13672	17.2
379.18759	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	379.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52225	1.5
85.56824	0.8
91.05493	6.0
119.04952	14.3
147.04430	37.9
148.04735	1.0
169.02606	19.7
171.35577	0.7
189.10571	0.7
215.01675	1.6
233.02699	100.0
245.59001	0.7
361.05255	1.6
367.43845	0.9
379.06396	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	379.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.5
54.03449	1.2
55.01868	0.7
55.05493	1.2
55.06224	0.4
57.03419	0.6
68.05000	0.8
69.03419	1.2
69.07059	0.5
69.24813	2.6
69.25215	0.9
70.06276	0.4
70.06594	4.6
71.04999	0.5
71.06908	0.5
71.93250	0.4
72.08157	0.9
72.87597	0.4
73.06556	0.6
77.48336	0.4
80.50246	0.4
81.03385	1.7
81.07029	0.5
84.04496	0.9
84.08130	1.7
85.02921	2.4
85.06507	0.5
86.06061	0.5
86.09687	1.6
88.03967	0.5
97.02869	1.1
97.06554	0.4
98.20810	1.0
99.04430	1.1
103.03980	2.5
109.02859	1.5
110.07137	0.6
114.05524	0.6
114.76913	0.4
116.07015	0.4
120.08185	0.5
121.50452	0.4
124.05073	1.2
127.03935	4.9
129.10199	0.7
130.04973	1.4
136.07574	0.7
145.04930	1.1
147.04437	0.4
149.04576	1.6
166.07271	1.1
167.21202	0.4
181.05014	1.1
181.08490	0.4
189.06429	1.2
189.10052	0.7
193.04779	0.4
201.06523	1.1
202.07291	3.1
203.08049	2.4
204.08829	12.2
215.08083	1.2
216.08818	100.0
217.09602	5.1
218.10388	9.3
225.06413	4.3
226.07303	1.8
227.08083	2.1
228.08675	0.7
229.09647	1.3
230.06828	0.9
230.10365	12.6
240.08818	24.4
241.09592	1.0
242.10391	5.7
244.08394	2.2
246.09894	16.3
255.09956	0.7
257.11798	0.5
258.09906	7.4
267.77139	0.4
268.08240	1.0
276.10593	0.5
283.09476	2.6
285.11066	0.5
286.09369	31.5
311.08905	0.6
315.11960	2.5
329.10129	1.0
333.13147	3.0
343.11545	1.2
347.10886	3.5
361.12619	5.3
379.13654	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
54.56180	1.1
55.05509	8.4
56.61724	1.3
57.03425	2.7
57.07085	2.1
66.79587	1.2
67.05503	2.1
67.65089	1.2
69.03432	15.8
69.07054	3.6
70.06579	4.4
71.04994	10.4
71.52866	2.0
72.08160	2.3
73.02930	1.8
75.04478	4.3
75.04956	1.1
79.05510	2.4
81.03420	38.3
81.07058	4.9
83.08622	3.6
84.08128	2.8
85.02911	37.2
85.06544	3.0
86.09679	1.8
91.05486	2.5
93.07028	4.4
95.08618	2.9
97.02895	5.5
99.04457	18.1
100.11225	4.8
103.03944	4.5
105.07036	3.5
107.08617	2.5
109.02885	51.6
109.06556	2.0
109.10148	1.6
111.04397	1.4
113.06010	29.5
117.05496	100.0
119.08567	4.1
121.06500	2.0
121.10091	1.4
127.03922	66.5
133.10167	2.1
135.11688	1.7
141.05469	79.4
142.03174	2.5
159.06549	7.3
159.11708	1.7
182.15404	1.9
187.06049	15.3
196.15715	1.3
210.14990	1.5
233.00050	1.2
245.73183	1.3
253.07018	1.3
261.13403	1.8
285.09592	1.9
359.17511	1.8
360.11942	2.1
377.08255	1.7
377.19699	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11547	0.4
53.03945	0.6
55.05514	7.9
56.96577	1.3
57.05827	0.9
62.23299	0.5
65.03954	0.8
69.07074	0.7
69.79866	1.0
69.80271	1.8
70.06586	2.4
72.08160	94.9
73.08501	0.6
79.05521	0.8
81.03403	0.6
81.07058	0.6
84.08148	2.2
85.02889	1.2
86.09711	100.0
87.10017	0.5
91.05488	10.8
93.07052	1.1
95.04962	0.8
95.08620	0.6
97.02853	0.7
97.06551	0.6
99.04517	0.5
100.07609	0.6
103.03947	0.9
103.05473	1.6
105.07062	1.1
109.02907	0.8
119.04940	2.5
120.08112	69.0
121.08475	0.9
122.06007	0.5
127.03944	1.2
129.07024	0.6
129.10271	0.6
131.04942	0.7
132.10202	1.0
137.06082	0.6
138.02130	0.6
140.03423	0.5
145.06502	0.7
147.04416	8.7
148.04755	1.1
166.08647	7.6
167.07230	0.5
170.05034	0.5
185.16504	62.7
186.16830	0.7
187.25180	0.5
189.83981	0.6
213.15993	36.2
214.16100	0.6
219.14946	19.7
233.16466	0.7
247.14474	10.4
265.15475	4.7
275.15985	0.5
279.17105	6.7
377.01672	0.8
378.19019	1.7
378.23672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
55.01886	1.2
55.05509	2.1
55.57611	0.7
56.14787	0.9
57.03429	2.4
61.02909	1.6
67.05521	2.4
68.99763	0.8
69.03437	16.8
69.07069	3.2
70.06596	4.3
71.05003	8.4
71.08630	1.7
71.52526	0.9
72.08151	2.5
79.05495	2.0
81.03420	27.6
81.07067	0.8
83.04978	1.4
83.08633	0.9
84.08112	1.2
85.02909	59.3
86.09693	3.6
91.05493	2.2
93.07054	1.3
95.04980	1.8
95.08587	2.0
97.02879	5.2
97.06538	1.2
99.04459	29.6
103.03945	57.1
105.07030	1.3
107.08611	2.3
109.02885	26.1
109.06526	1.4
109.10149	1.0
111.08031	0.8
119.08554	2.6
120.08116	2.8
121.06515	1.1
121.08407	1.0
121.10136	1.3
124.85770	0.9
125.09641	3.4
127.03922	100.0
131.08626	1.4
133.10170	1.9
137.06004	1.0
137.09634	1.0
145.04973	11.4
145.10048	0.8
149.09619	1.0
157.10118	1.6
160.46294	0.9
161.09499	0.9
163.06018	1.3
165.09077	1.2
183.02893	1.1
187.06047	11.8
253.07117	3.4
271.08209	3.3
291.19376	1.5
377.08588	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	377.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.5
55.01872	0.9
57.03442	2.8
58.01067	0.5
59.08104	0.4
61.02947	0.9
65.88693	0.5
67.05494	0.5
69.03434	15.1
69.07067	0.6
71.05000	4.9
71.08640	1.5
71.47673	1.0
73.02927	0.7
77.68494	0.5
81.03428	28.0
81.07073	0.6
83.04990	0.4
85.02915	53.2
95.04967	0.4
97.02906	5.0
99.04469	27.3
99.71716	0.5
102.47315	0.4
103.03955	55.0
105.07010	0.6
109.02892	24.5
111.04464	0.4
119.08539	0.5
127.03932	100.0
128.04276	0.5
145.04970	11.8
159.59258	0.5
163.06055	0.9
163.83551	0.5
169.04787	0.5
187.06042	8.2
253.07085	3.0
271.08203	2.1
275.15039	0.7
334.41605	0.6
377.08768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01864	0.5
55.05513	1.0
56.80513	0.5
57.03442	3.4
61.02906	0.6
69.03433	18.9
69.07051	2.5
69.91041	0.4
69.94832	2.2
70.06601	1.3
71.05000	5.1
71.08635	3.6
79.05482	0.6
81.03422	30.3
81.07051	0.5
84.08119	0.8
85.02909	56.4
86.09726	0.6
97.02899	4.7
99.04464	27.4
103.03948	51.7
105.07072	0.5
109.02888	24.6
117.05513	1.1
127.03925	100.0
129.05478	0.9
139.24094	0.4
141.05484	1.2
145.04958	10.2
147.06570	0.7
157.49220	0.5
163.06004	1.0
169.04941	0.5
187.06039	8.2
189.94193	0.5
253.07008	3.4
271.08182	2.3
275.14685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03937	1.5
55.01888	0.6
57.03439	7.3
61.02923	2.7
63.35088	0.6
69.03088	1.0
69.03432	13.9
70.06593	0.6
70.64325	1.4
71.01347	2.5
71.05000	3.4
72.89761	0.6
73.02928	1.7
75.04470	2.0
75.04887	0.5
75.80141	0.6
81.03423	3.4
87.04431	0.6
99.04456	4.7
117.05492	1.2
119.29378	0.7
129.68135	0.5
137.05969	0.7
145.07570	1.3
145.54193	0.6
148.48801	0.5
170.07175	1.3
172.08704	25.7
190.09789	1.6
198.06618	6.6
199.09784	0.7
200.08199	5.2
216.07698	14.5
243.08792	66.1
244.07011	1.7
244.09386	1.3
314.19366	0.5
316.12863	0.7
359.13409	3.0
377.05008	3.0
377.14566	100.0
378.14948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
55.05501	3.6
57.07066	4.3
58.65324	0.9
63.00480	1.0
67.05509	7.7
69.06728	1.1
69.07076	13.4
71.08637	40.1
79.05479	4.7
81.07060	10.0
83.08610	1.4
85.06529	2.8
86.06079	1.3
86.09711	13.6
88.11275	100.0
89.06036	2.0
91.05473	4.0
93.07063	10.6
95.04976	13.3
95.08617	11.3
95.95866	0.9
97.06519	3.2
97.10154	1.2
99.08095	3.5
100.07552	1.0
100.47838	0.9
105.07015	5.9
107.08611	7.7
109.06522	20.7
109.10145	3.6
117.07021	2.0
119.08611	5.1
121.06506	3.4
121.10123	3.1
123.08094	1.0
131.08571	4.1
132.08936	1.2
133.10149	5.5
135.08084	1.6
135.11734	1.4
138.12778	1.2
145.10123	1.4
147.11670	2.4
149.09596	1.0
149.13255	3.5
151.14796	1.1
156.13858	5.5
157.09949	1.0
159.11636	1.8
163.11156	1.1
163.14781	1.6
165.12759	74.6
169.10045	0.9
170.15390	3.5
173.13277	6.2
175.11182	2.1
179.14301	1.3
183.11685	1.4
183.64934	1.3
184.13345	4.8
184.16884	2.6
191.14354	8.2
191.16011	1.3
195.12338	1.5
198.18623	1.3
201.12715	3.9
208.17014	1.5
222.18501	1.2
224.20119	9.5
226.18112	1.2
229.19498	2.2
229.40695	1.2
236.04492	1.0
236.20203	1.3
238.13496	1.0
253.19598	1.4
254.21140	4.4
262.21704	6.7
271.20605	6.9
278.24780	24.5
289.21481	7.7
320.25671	1.4
333.25748	1.1
358.31046	6.0
376.32123	67.6
377.32367	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.3
55.01870	3.5
55.05513	16.4
57.07083	6.4
67.05522	24.1
67.07400	3.7
69.07056	13.0
69.25241	12.7
69.25665	18.3
79.05488	32.4
81.07060	46.7
83.08659	3.5
91.05478	48.8
93.07048	88.1
93.07632	5.6
95.04980	32.6
95.08607	35.5
97.06525	9.8
105.07037	100.0
105.11402	3.3
107.08595	40.5
109.06514	13.3
109.10155	18.7
117.07007	18.9
119.08589	82.4
121.06501	15.8
121.09326	6.5
121.10143	76.6
123.08086	8.3
123.11663	4.8
128.06194	8.2
129.07001	12.6
130.07811	8.1
131.08569	48.2
133.10129	36.9
135.11665	14.4
141.06978	5.5
142.07835	20.1
143.08577	30.1
144.09361	7.2
145.10127	60.1
147.08072	5.1
147.11681	22.3
153.06885	4.3
155.08583	8.4
156.09328	4.9
157.10135	47.6
158.10936	5.1
159.11699	33.0
161.09633	11.6
161.13278	5.6
167.08517	4.3
168.09346	3.9
169.10120	14.5
170.10843	4.8
171.11673	18.9
173.13261	15.6
175.11203	6.1
175.14792	7.2
179.08467	4.9
180.09261	3.8
181.10155	4.9
183.11690	12.4
185.13239	7.9
187.14806	16.2
195.11655	11.1
197.13271	10.6
199.14771	7.1
201.16402	3.7
207.11737	5.4
209.13243	11.4
211.14859	5.9
223.14828	10.1
225.16573	5.1
233.12909	3.5
235.14766	4.5
237.16508	4.5
253.15773	6.4
253.19504	5.6
303.94272	3.3
319.20767	4.5
346.58728	3.2
357.25513	3.4
375.26773	23.4
379.85818	3.2
390.13632	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	375.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91823	2.2
53.03941	8.2
55.05517	16.3
57.07079	3.1
65.03935	4.8
67.05508	23.4
69.07070	15.4
78.46984	2.5
79.05499	42.0
81.07055	52.4
83.04978	3.8
91.05478	62.9
93.07045	97.7
95.04987	38.3
95.08606	41.4
97.06532	10.3
98.20718	5.4
103.05481	6.2
105.07034	100.0
107.08591	51.3
109.06530	10.3
109.10166	26.9
115.05428	3.5
117.07033	21.2
119.08582	97.8
121.06497	21.5
121.10147	72.8
123.08057	3.6
123.11706	4.4
128.06238	9.5
129.07011	16.0
130.07794	11.6
131.08574	49.5
132.09364	2.8
133.10132	49.4
135.08076	4.9
135.11676	15.8
138.76671	2.3
141.06989	6.2
142.07768	21.0
143.08585	29.1
144.09355	9.6
145.06464	4.3
145.10123	65.7
147.08051	6.3
147.11696	18.8
152.57884	2.6
155.08586	9.9
156.09354	7.7
157.10136	48.3
159.08038	5.1
159.11690	30.3
161.09610	16.2
161.13408	3.1
163.11134	3.3
165.06975	2.6
167.08580	7.7
167.74188	3.4
168.09306	3.7
169.10141	20.8
170.10825	3.5
171.11794	12.2
173.09666	4.9
173.13275	19.8
175.11160	10.1
175.14853	8.0
179.08623	7.3
180.09370	3.8
181.10132	9.2
182.10876	5.1
183.11693	11.0
185.13307	7.1
187.08952	2.5
187.11220	7.9
187.14850	15.0
193.10216	6.7
194.10953	6.1
195.11694	10.5
197.13300	9.8
199.14816	7.2
201.16400	5.4
207.11723	5.9
208.12630	2.6
209.13303	12.1
211.14825	6.3
213.16396	6.7
220.65738	2.8
221.13289	5.7
223.14848	8.5
225.16463	3.5
229.19180	2.5
235.14873	3.6
237.16235	3.9
239.17946	2.9
249.87090	2.4
253.15727	5.2
253.19514	3.9
265.19495	3.9
266.20325	4.8
266.69003	2.4
375.26920	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	375.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47762	3.1
53.03939	10.7
54.59676	2.9
55.01844	3.2
55.05508	15.4
57.07072	6.8
59.96709	3.0
65.03926	5.7
67.05505	38.3
69.07067	23.1
71.08640	4.1
79.05489	34.7
81.06590	6.0
81.07059	84.3
81.07533	5.8
83.04981	3.1
83.08627	8.0
86.09714	100.0
91.05484	42.8
93.07051	57.9
95.04970	47.9
95.08611	93.0
97.06523	9.1
103.05465	6.8
105.07037	100.0
107.08604	45.6
109.06529	12.6
109.10168	28.9
112.07616	7.3
117.07060	16.8
119.07762	2.5
119.08581	72.2
121.06503	11.9
121.09325	6.4
121.10146	76.0
123.08057	5.2
123.11712	59.8
128.06218	9.2
129.07027	18.7
130.07768	10.2
131.08580	36.2
133.10141	45.0
135.11676	10.9
140.83739	2.9
141.06981	7.7
142.07790	25.3
143.08571	38.7
144.09293	9.2
145.10144	57.7
147.11719	26.4
149.13171	3.4
150.72610	3.7
153.39925	3.0
155.08560	17.9
156.09328	13.4
157.10130	56.0
158.10930	3.9
159.11700	19.0
161.09671	4.6
161.13234	5.7
163.14816	3.7
165.06950	6.1
166.07739	5.3
167.08557	5.3
169.10129	27.4
170.10899	8.0
171.11679	28.2
173.09534	8.1
173.13286	9.2
175.11200	5.7
175.14857	5.1
179.08568	10.2
181.10141	15.9
183.11732	16.7
185.13319	12.7
187.14865	11.1
189.16519	3.5
192.09329	4.5
193.10159	11.0
194.10928	11.7
195.11690	25.7
196.12444	6.5
197.09857	2.9
197.13274	23.4
199.11026	4.2
199.14824	5.2
205.10075	6.6
206.10970	5.6
207.11641	11.6
209.13246	21.0
210.13954	5.1
211.14824	14.3
220.12466	5.1
221.13269	12.6
223.14853	8.2
225.16312	6.2
229.07861	3.9
233.13335	4.2
235.14821	8.2
239.14323	6.3
247.14757	3.8
251.17908	8.6
253.15913	7.9
253.19528	4.6
265.19452	5.4
266.20248	9.2
267.21185	3.6
278.24850	6.5
297.65137	3.5
316.68231	3.8
319.20383	5.1
346.37390	3.3
347.27234	4.0
375.26807	26.0
376.32169	55.9
394.05829	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	375.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.05505	5.0
57.70631	1.2
67.05502	8.8
69.03436	1.6
69.07061	5.5
69.73290	6.9
71.05000	23.3
73.02856	1.0
79.05496	12.4
81.07056	27.1
83.04977	3.6
83.08618	2.1
83.85972	1.2
85.02901	1.6
91.05484	15.3
93.07052	14.5
95.04964	3.0
95.08606	10.3
97.06501	3.8
98.21556	1.2
98.87967	1.2
99.08109	8.5
105.07030	39.3
107.08588	13.6
109.06523	4.6
109.10143	9.8
111.08087	2.0
113.09660	1.4
117.07030	4.5
119.08574	11.8
121.10146	10.8
123.08125	1.4
123.11723	2.9
125.09640	17.2
127.07531	5.5
127.11240	1.4
131.08583	10.3
133.06529	2.0
133.10135	100.0
135.11687	2.8
137.06023	2.1
137.09573	1.2
137.92566	1.1
139.11200	2.4
143.10698	4.5
145.10104	12.8
146.34114	1.2
147.11696	12.2
149.13225	3.0
151.07549	3.1
151.11125	2.4
157.09924	1.4
159.08044	1.5
159.11702	15.5
161.05894	1.5
161.13304	4.3
163.11143	2.1
165.12778	2.3
167.07037	1.7
169.12238	1.2
173.13290	2.5
175.14815	1.2
177.09073	3.0
177.12766	1.7
189.12778	1.2
201.16389	12.3
219.17441	26.1
266.16330	1.2
285.11307	1.8
338.12482	1.2
342.03284	1.3
357.17209	1.6
367.15094	1.2
375.21771	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	375.2381
Annotation	Manglieside C
Peak:m/z	Relative Intensity
51.07782	0.9
53.03940	4.5
55.01883	5.3
55.05517	18.0
57.03448	8.0
57.07080	6.4
59.04995	3.7
61.02937	10.0
67.05521	8.3
69.03437	29.5
69.07073	39.2
70.06599	1.6
71.05004	10.8
71.08642	1.9
71.25219	2.0
73.02931	5.3
79.05487	4.5
81.03430	12.0
81.07065	28.1
81.69949	1.1
83.04994	9.4
83.08617	9.0
84.08109	1.2
85.02915	75.9
85.06548	22.9
87.04456	5.0
87.08114	1.3
91.03947	4.5
91.05468	3.6
93.07053	13.8
95.04984	1.3
95.08617	41.9
97.02899	22.4
97.06535	6.2
97.10175	11.8
99.04462	5.1
99.08099	25.2
105.07031	3.8
107.08601	27.1
109.02885	10.7
109.06496	2.4
109.10161	16.0
111.08072	4.4
111.11730	9.2
113.09662	9.5
119.08559	3.5
120.08092	1.0
121.10155	34.6
123.11714	9.2
125.09631	11.4
125.13194	1.3
127.03939	16.0
127.11191	2.1
131.08556	1.7
133.10138	4.4
134.10468	2.0
135.11705	19.1
137.13280	19.5
137.53094	1.1
139.11192	8.2
145.04074	1.2
145.04976	12.4
147.11685	2.4
149.13235	5.1
151.14798	5.7
153.12741	13.3
159.84143	1.3
160.17543	1.0
177.16403	100.0
195.15654	1.4
195.17455	41.7
213.18517	67.2
375.23975	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	375.1648
Annotation	8-Epideoxyloganin
Peak:m/z	Relative Intensity
53.03930	8.9
55.01875	17.6
55.05499	10.5
57.03424	9.8
61.02937	4.7
65.03943	2.9
67.05500	17.7
69.03433	56.1
69.07071	43.5
70.06581	15.8
71.01357	6.2
71.04985	12.6
71.51725	2.8
72.08144	6.6
72.41114	2.5
73.02920	6.6
79.05487	27.4
81.03417	48.1
81.07049	40.3
83.04979	6.9
83.08636	3.6
84.04498	3.1
84.08128	9.5
85.02907	92.3
85.06548	15.6
86.09706	14.2
91.05479	28.9
93.07051	34.0
95.01340	3.3
95.04964	9.7
95.08608	21.2
97.02902	30.4
97.06533	83.1
98.16584	2.6
99.04462	41.2
99.08108	3.4
103.03943	66.2
105.07027	22.3
107.04937	8.9
107.08599	31.6
109.02894	40.8
109.06521	19.6
109.10156	5.8
110.09634	2.7
111.04504	2.7
111.08089	15.6
115.03925	4.6
115.05489	2.6
117.07034	16.0
119.04897	3.4
119.08584	14.3
120.08083	7.7
121.06539	16.4
121.10137	10.3
123.04459	5.3
123.08064	26.4
125.09643	5.7
127.03915	100.0
127.07546	11.3
129.07002	3.3
129.10268	4.0
131.04947	4.4
131.08583	24.5
133.06488	9.2
133.10129	5.6
135.04420	5.3
135.08046	18.0
135.84605	3.1
137.05986	10.1
137.09608	22.2
138.09149	7.7
139.07529	11.1
143.11711	2.9
145.04956	34.2
146.06023	3.6
147.08063	13.3
149.06030	3.5
149.09589	18.3
151.04025	4.4
151.07521	12.3
153.09105	24.2
159.08026	12.6
159.11761	2.9
163.05995	3.2
165.09088	30.0
169.05022	4.3
177.09111	54.4
177.16394	10.8
183.10168	9.2
187.06006	19.7
188.07101	5.2
195.10202	55.8
205.07114	2.9
213.11211	22.9
213.14821	3.9
213.18562	4.2
231.12299	2.8
237.11278	3.4
252.32050	2.8
255.12280	34.1
271.08362	4.5
273.13318	4.4
289.09225	3.9
343.12967	4.6
375.19254	4.0
392.98984	4.3
393.11893	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	375.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42020	0.7
53.03963	6.6
55.01877	2.2
55.05508	2.2
57.03427	3.2
61.02927	1.6
67.05499	2.4
69.03091	1.2
69.03441	19.7
69.07079	20.4
69.38493	3.4
69.38924	2.7
70.06599	2.5
71.05004	7.7
73.35734	0.9
79.05492	1.3
81.03432	30.1
81.07046	2.8
83.04957	0.9
83.08614	2.0
84.04530	1.0
84.08128	1.4
85.02917	62.5
86.09708	1.4
91.05492	1.2
91.13625	0.8
93.07041	2.4
95.04972	1.4
95.08601	1.9
96.62968	0.7
97.02928	4.3
97.06519	2.4
99.04469	34.1
99.54696	0.8
103.03958	63.0
105.07048	1.7
107.08621	1.9
109.02896	27.4
109.06522	1.8
109.10150	1.7
111.08063	2.2
120.08112	1.9
121.06493	1.3
121.10149	1.9
123.04424	2.1
127.03938	100.0
128.04248	0.9
129.07001	1.1
133.10135	0.8
135.08102	1.4
137.06018	1.8
139.03931	1.0
139.07468	0.9
144.06026	0.8
145.04973	13.4
149.09677	1.3
162.01183	0.8
163.06088	1.6
163.07527	1.3
165.09187	1.2
167.06984	1.2
177.09103	2.4
179.71013	0.8
187.06052	11.1
195.10184	1.5
205.06979	1.1
213.11256	1.1
213.14862	1.9
225.09198	0.9
253.07106	3.8
271.08218	3.1
318.80576	1.1
348.85712	0.7
375.19980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43939	0.8
53.03932	1.3
54.28028	0.8
55.01862	1.3
55.05498	1.7
56.05026	1.1
56.96539	0.8
57.03435	4.8
61.02910	1.4
65.03940	6.2
67.05498	3.7
69.03419	4.0
69.07047	2.3
69.61765	4.0
70.06596	4.6
71.04975	3.3
72.08136	2.5
73.02921	3.7
79.05473	2.4
81.03408	2.5
81.07031	2.0
82.04192	1.4
84.04488	3.1
84.08131	3.4
85.02904	9.2
85.06540	1.0
86.09703	11.5
87.04481	0.9
87.10023	2.7
88.03990	1.0
91.05473	3.0
93.03381	0.8
93.07047	1.5
95.04951	2.3
95.08620	1.5
97.02881	3.5
97.06517	2.5
99.04434	5.0
99.08113	1.0
103.03948	1.7
105.07013	2.6
107.04934	1.2
107.08607	1.4
109.02893	1.3
109.06504	1.3
109.10133	2.5
110.03638	3.4
110.07155	1.3
113.06019	1.1
117.05506	6.5
117.07052	0.8
119.04972	1.0
119.08609	1.8
120.08100	2.4
121.06429	1.2
123.04443	1.5
125.05984	2.1
125.09634	2.5
127.03904	3.0
129.10236	2.2
131.06978	0.8
131.08569	0.9
132.10173	2.5
133.10097	3.7
135.04411	1.1
136.07533	1.1
137.05966	8.5
137.09619	1.7
138.03111	2.1
138.09109	1.3
140.04648	2.4
141.05417	1.1
142.02611	2.5
147.04446	1.4
147.11655	0.7
149.02347	1.2
149.06027	1.5
151.03897	1.5
153.05460	4.0
154.05849	0.9
155.00684	1.7
157.06378	0.8
161.05951	1.0
167.07011	2.1
171.06546	2.4
172.08716	10.0
177.07565	2.2
181.04955	100.0
182.05315	1.0
183.00215	2.7
188.06970	0.9
198.06641	2.0
198.13148	1.6
200.08229	1.2
207.07971	0.8
214.09740	1.3
215.13838	1.9
216.07651	5.5
216.14240	2.0
219.17490	0.9
231.65172	0.9
243.08771	22.6
244.13637	0.8
267.09671	0.8
285.09979	1.1
300.17029	0.9
343.12357	1.0
357.11911	7.1
375.12915	31.4
375.19849	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	375.1264
Annotation	Dercitamide
Peak:m/z	Relative Intensity
53.03940	0.6
55.95838	0.4
56.05030	0.6
56.96566	0.5
69.03424	1.2
70.06606	0.8
70.75323	1.0
72.08164	1.1
73.02895	0.5
74.06130	0.4
81.03412	1.5
83.00343	0.4
84.04525	0.9
84.08153	1.0
85.02918	1.9
86.09678	1.0
87.00846	0.8
91.05473	1.3
97.02906	1.0
98.97571	0.4
99.04469	0.6
100.53048	0.4
105.01908	0.4
109.02910	1.5
119.04954	2.2
120.05301	1.3
125.05991	0.4
127.03926	51.1
128.95010	0.4
129.10246	0.9
137.05974	0.6
147.04414	6.1
148.04776	6.2
149.09650	0.5
159.02911	1.1
163.03880	0.4
181.04990	0.7
183.00197	0.5
185.04326	0.8
213.04430	0.8
213.11214	1.2
231.05371	0.9
231.08379	1.6
235.07611	0.8
255.05495	0.8
289.58228	0.4
306.48428	0.5
310.64328	0.5
313.12601	7.1
315.10443	2.0
335.98227	0.4
357.11588	1.2
375.12653	100.0
376.12970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54286	4.9
53.03955	5.3
55.05509	31.6
59.04997	6.6
59.80497	4.9
67.05511	68.6
69.07064	39.7
71.04994	100.0
73.06558	10.4
73.71980	5.1
77.67538	4.8
79.05495	55.2
81.07056	68.1
83.04980	12.5
83.08630	22.0
85.06557	10.2
91.05489	41.4
93.07050	46.4
95.04959	14.6
95.08600	50.2
97.06523	12.4
97.10168	32.3
101.05996	7.1
105.07043	48.1
106.07411	5.5
107.05048	5.9
107.08606	60.0
109.06555	9.3
109.10123	27.8
111.08112	13.3
117.06989	8.8
119.08585	36.4
121.06573	5.9
121.10148	17.8
123.08084	17.9
125.09637	34.8
131.08586	24.3
133.06464	7.0
133.10115	29.0
134.10484	6.1
135.08066	14.3
135.11696	23.5
137.09615	18.6
145.10130	19.4
147.11739	10.9
149.09592	12.6
149.13249	11.5
151.07504	29.0
152.07877	20.7
152.38724	5.9
153.09088	16.1
155.10643	7.2
159.11714	31.0
163.11165	11.6
165.09067	18.6
166.09470	16.1
173.11748	32.1
173.13208	9.9
177.12750	24.9
187.13326	36.5
195.13806	6.6
196.06419	5.2
203.12820	35.1
207.13770	9.4
208.14139	16.1
209.15385	19.4
227.16393	35.5
229.19576	6.6
229.28163	6.3
236.03738	8.0
239.18065	5.7
241.18021	56.7
257.19095	11.1
275.20068	59.1
289.21594	20.5
307.22629	15.4
321.24252	14.1
342.21436	11.1
360.13300	4.9
371.31784	5.9
374.19208	9.9
374.24121	29.7
374.32455	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	374.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
55.05514	1.4
56.05029	0.6
57.03431	0.6
57.07065	1.8
67.05512	2.8
67.35110	0.6
69.07070	15.6
70.06593	0.7
71.08642	3.7
71.51984	0.9
77.24533	0.6
78.98694	0.7
79.05495	1.5
81.07051	3.7
84.08149	38.4
85.06534	1.4
86.09711	100.0
91.05478	1.3
93.07059	3.2
95.04973	3.8
95.08627	3.2
97.06565	1.8
99.08094	2.1
105.07038	2.6
107.08591	3.1
109.06512	7.0
109.10160	1.3
112.07604	15.6
119.08607	1.5
121.06513	1.3
121.10178	1.2
124.09573	0.6
131.08592	1.6
133.10146	2.1
140.10686	1.1
145.10063	0.6
145.64391	0.6
147.11687	0.9
149.13281	1.3
154.12244	5.7
154.15875	0.6
159.04657	0.7
163.14894	0.8
165.12764	31.4
168.13847	1.2
173.13289	1.8
175.11212	1.0
191.14310	1.7
194.15695	0.8
201.12758	1.0
222.18521	5.2
252.19669	3.4
260.20105	2.3
271.20679	1.7
276.23239	13.3
289.21671	2.3
356.29645	4.2
374.30563	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	59.3
56.96549	26.4
61.02920	36.7
67.05495	86.6
69.07066	51.1
70.06590	41.1
71.52409	30.6
79.05495	51.3
81.03424	29.5
81.07050	100.0
83.04999	25.2
84.08147	45.3
85.02905	54.6
87.04316	21.2
91.05492	36.9
93.07040	60.7
95.04967	48.5
95.08626	50.6
97.02896	31.6
98.97557	28.7
100.11267	39.4
107.08578	30.1
109.02891	26.7
109.06526	35.8
109.10146	75.0
111.04453	24.0
119.08544	32.9
121.06461	25.8
121.10134	47.8
123.08125	26.6
131.00119	28.0
131.08566	39.0
149.01151	32.8
182.15459	20.3
267.52246	22.9
292.62518	35.1
293.13174	76.2
374.19592	28.6
374.24020	44.1
377.38754	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	15.3
55.05509	42.2
58.52298	7.0
67.05503	90.9
69.03413	10.1
69.07074	53.4
69.73946	38.8
71.04644	10.1
71.04996	100.0
79.05492	75.4
81.03442	7.2
81.07052	82.8
83.04971	11.0
83.08604	28.4
85.06538	13.7
91.05480	35.4
93.07045	69.5
95.04961	19.9
95.08611	48.9
97.06525	23.6
97.10180	45.5
98.21462	13.8
105.07013	32.6
107.04907	10.9
107.08617	79.7
109.06516	8.1
109.10159	86.3
111.08098	11.0
117.07001	20.9
119.08595	34.0
121.06520	9.0
121.10147	34.9
123.08115	8.9
125.09621	44.6
131.08571	25.7
132.70705	7.7
133.10101	30.2
135.08087	14.1
135.11678	26.4
137.09554	7.5
145.10089	17.0
147.11633	16.2
149.09669	11.6
149.13245	16.9
153.09073	14.4
153.12756	10.3
155.10658	38.7
157.10069	7.3
159.11694	42.6
170.60318	6.9
173.11743	89.0
177.12715	34.6
187.13301	85.3
203.12779	40.7
209.15334	18.9
221.11758	9.9
227.16394	7.2
241.18034	53.3
257.18896	20.7
275.20071	62.2
289.21652	22.9
307.22629	21.0
321.24219	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	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01870	6.1
55.05513	28.2
57.03421	3.9
59.04980	4.5
67.05505	73.4
69.03406	4.1
69.07069	27.9
69.15765	5.9
69.16162	24.9
71.04604	5.7
71.04994	100.0
73.06529	3.4
79.05495	43.2
80.04196	3.4
81.03416	2.5
81.07059	69.9
82.07363	2.8
83.04974	7.1
83.08624	21.4
85.02863	2.9
85.06519	9.6
85.34412	2.4
91.05480	29.9
93.07048	52.7
95.04976	7.2
95.08615	33.7
97.06548	19.0
97.10163	20.3
98.21565	3.8
99.08079	6.8
105.07046	30.3
107.04970	4.4
107.08598	61.8
109.06506	2.8
109.10153	43.9
111.08056	7.9
117.07015	17.1
119.08581	17.9
121.06486	4.7
121.10124	18.7
123.08038	5.0
125.09637	27.5
129.07043	4.1
131.08549	16.5
133.10133	21.2
135.08025	8.9
135.11705	22.7
137.09630	7.3
137.58076	2.5
141.06964	3.3
143.08565	5.3
145.10112	15.0
147.11696	10.8
149.09612	10.6
149.13287	15.9
151.11201	4.4
153.09067	8.1
153.12726	3.5
155.10651	9.1
157.10141	3.5
157.12286	2.8
159.11720	33.7
161.13249	5.4
163.11191	4.0
171.11722	4.0
173.11755	50.7
173.13190	5.4
174.56882	2.6
177.12744	37.5
179.33336	2.9
187.13277	48.5
187.14810	4.8
203.12796	34.8
209.15396	16.6
219.11069	2.9
239.17979	5.0
241.17999	76.3
257.19049	12.5
266.52631	3.1
275.20062	51.2
289.21646	22.1
307.22699	15.6
321.24310	13.6
374.18835	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31315	1.9
53.03937	2.6
55.05518	11.1
55.55572	2.1
57.07071	3.7
58.99570	9.0
59.05000	3.4
65.05054	2.0
66.15282	1.8
67.05508	16.1
69.03420	3.0
69.07069	20.0
70.06585	4.5
71.04999	26.4
71.52322	2.9
72.08157	2.4
73.06537	6.5
76.02232	18.2
78.38114	1.8
79.05489	22.7
79.86529	1.9
81.07058	92.0
83.04964	2.4
83.08602	8.5
84.08136	3.8
85.02890	2.6
85.06507	2.7
86.99060	10.5
90.06973	2.0
90.73598	2.0
91.05006	2.0
91.05495	15.7
93.07047	57.7
95.04986	4.2
95.08608	35.2
97.06534	4.7
97.10164	4.5
99.08057	2.6
102.05557	2.1
105.07040	36.8
107.08598	51.6
109.06506	3.1
109.09472	2.9
109.10166	35.2
119.01653	20.8
119.08586	53.5
121.10155	12.0
123.11729	16.6
127.11181	9.2
133.10147	38.8
135.11697	91.0
136.04280	100.0
137.13269	2.5
147.11705	22.6
148.04277	2.8
149.13257	4.4
153.12749	45.6
161.13274	8.0
163.14896	2.4
165.12663	2.2
167.08891	2.5
177.00716	2.2
203.17958	34.8
221.18944	13.8
302.11404	2.5
338.21469	7.9
356.22476	20.7
374.19113	3.4
374.23483	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	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
56.05028	1.7
58.41406	1.1
60.35980	1.1
61.02912	2.3
67.05508	2.2
69.03415	3.1
69.07060	4.4
70.06590	10.6
71.04992	2.0
71.06924	1.2
72.08147	4.6
74.06039	1.3
77.76555	1.0
79.05486	5.1
81.03418	2.1
81.07070	2.3
82.68766	1.2
83.04993	1.2
84.04507	10.5
84.08147	6.9
85.02440	1.4
85.02909	15.6
86.09709	56.2
91.05453	5.4
93.07037	2.3
94.64986	1.4
95.04966	1.3
97.02887	4.8
97.06464	1.3
99.04461	1.4
100.14505	1.1
102.05528	5.7
103.05457	1.4
105.06998	2.3
107.04939	5.1
109.02856	2.3
109.06487	1.5
109.10113	1.1
112.72298	1.2
114.05521	1.4
115.05363	1.4
119.08588	1.5
120.08111	2.3
121.06504	1.6
121.10123	2.2
123.04448	1.2
127.03885	3.6
129.06674	1.5
129.10251	1.8
130.09476	1.4
131.08517	2.3
132.10199	15.9
135.04417	28.6
137.05971	3.3
138.03133	1.7
144.08057	2.7
145.04938	3.1
147.04407	4.7
151.03906	4.6
152.10725	1.8
153.05470	100.0
163.03918	28.2
164.04250	2.6
165.04405	1.5
167.07030	1.3
170.11714	1.6
176.10629	2.6
177.05447	1.7
177.09125	6.2
179.15784	1.3
180.08643	2.2
181.04924	9.9
182.05446	0.9
188.07085	4.1
194.11804	7.4
195.06529	65.2
197.12854	7.4
201.05350	1.2
202.05785	2.1
212.12852	2.1
215.13939	15.7
225.12389	2.8
231.11157	1.5
237.00761	1.6
243.13402	18.6
245.18593	1.6
251.54572	1.1
261.14456	1.7
279.80881	1.1
297.12268	1.4
316.11362	1.2
325.76288	1.2
326.10831	2.1
357.14026	2.3
374.12177	2.4
374.17679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18591	0.7
53.03957	0.7
55.01864	0.7
56.29825	0.7
56.30088	0.6
56.30381	0.6
57.03436	1.7
61.02924	2.0
69.03437	4.9
70.06593	2.8
70.79710	1.5
70.80065	0.9
71.04987	0.6
72.08145	2.6
73.02929	1.0
81.03418	1.5
84.04497	2.0
84.08150	3.4
85.02912	17.5
86.09695	2.0
86.88981	0.7
89.03928	4.8
91.03942	1.1
91.05448	1.1
97.02888	5.4
103.91933	0.6
107.04990	1.4
110.75308	0.8
116.07092	0.7
117.03386	12.8
118.83421	0.6
120.08125	1.0
123.04356	1.0
127.03923	3.0
128.60265	0.7
129.10231	2.7
134.03606	0.9
135.04460	1.1
145.02853	45.1
145.04776	4.9
147.04375	2.6
149.05959	6.0
153.05521	1.6
162.03169	0.8
163.03859	3.5
163.07445	1.2
177.05481	100.0
178.05853	1.2
180.08669	1.8
181.04976	1.8
182.05275	1.4
193.14911	0.6
195.06544	57.4
212.16545	0.9
231.09618	0.9
243.07921	0.9
261.24966	0.7
333.99747	0.7
346.69733	0.7
374.21970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78022	0.5
59.35419	0.5
65.03932	0.9
65.91277	0.6
69.22467	4.7
69.29736	0.5
70.18951	0.5
91.05486	10.2
96.88453	0.4
110.36916	0.5
119.04945	24.6
130.19237	0.6
142.00972	0.5
146.72160	0.5
147.04417	100.0
148.04788	0.6
206.95177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01852	1.1
55.05508	1.6
55.13326	0.6
56.05032	1.5
57.03439	0.9
61.02928	1.9
65.03967	0.8
67.05499	0.7
69.03426	4.2
69.07067	1.7
69.74883	0.8
70.06589	7.1
71.05002	0.9
71.51857	1.3
72.08156	2.8
73.02916	1.0
74.06066	0.7
79.05501	2.2
79.84043	0.7
81.03409	2.0
81.07068	1.5
83.06120	0.8
84.04512	7.0
84.08153	4.9
85.02914	16.1
86.06079	0.7
86.09714	19.8
87.04467	0.8
88.03992	1.0
91.03967	0.7
91.05483	1.8
93.07002	0.8
94.06570	0.7
95.01638	2.2
95.04977	1.1
97.02911	5.7
97.06546	0.6
98.39499	0.6
102.05551	1.8
103.03230	0.7
103.05455	0.8
105.07024	1.6
107.04968	5.2
107.08612	1.2
109.02893	1.3
109.06509	0.9
110.07159	1.6
119.04986	1.8
120.08093	2.9
121.02914	0.7
123.04435	1.4
127.03912	3.3
129.06604	2.2
129.10263	2.4
132.10223	5.3
133.10242	0.7
135.04420	27.9
136.07553	0.8
137.05988	1.3
138.03131	2.6
138.06328	0.9
142.08730	0.8
145.04953	3.9
145.06741	1.6
147.04433	3.1
149.02354	5.1
149.06021	0.8
151.11179	1.2
153.05475	100.0
163.03920	19.8
163.05992	1.0
167.07042	1.6
176.10814	0.7
177.05429	1.2
180.08679	3.1
181.04979	5.4
182.05292	2.8
193.04849	0.7
194.11780	1.1
195.06543	67.8
197.12906	3.2
201.05464	1.6
202.05852	2.9
212.09232	1.8
215.13907	5.6
225.12273	0.9
243.08914	1.0
243.13400	3.9
243.15462	0.8
308.10349	0.7
326.10965	1.5
374.14365	1.9
389.14511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43923	1.4
53.03940	1.9
54.73723	1.5
55.01860	5.1
55.05502	4.2
56.95551	1.3
57.03424	4.4
57.07066	3.1
59.04998	5.2
67.05524	10.8
67.05820	2.3
69.03426	5.6
69.07056	3.4
69.17222	1.5
71.04986	2.4
78.88222	1.4
79.05498	11.9
81.03430	8.1
81.07056	11.7
83.04986	3.1
83.08612	3.7
85.02884	1.8
85.06554	3.3
87.04468	19.4
88.30011	1.5
91.05485	14.4
93.07065	9.9
95.04961	6.8
95.08607	9.1
97.06540	1.9
97.10123	2.2
103.05460	3.5
105.07035	55.3
107.04946	2.0
107.08600	13.0
108.05757	2.5
109.06537	7.5
109.10142	5.3
111.04514	1.7
111.08087	4.4
115.05459	3.0
117.07013	5.7
119.08581	14.4
121.06506	6.6
121.10137	8.9
122.07299	3.0
122.10477	2.0
123.07207	3.0
123.08076	53.3
125.05952	2.7
125.09627	3.0
126.09985	1.9
128.06204	1.9
131.08595	9.0
132.05707	1.7
133.06499	26.4
133.10146	16.9
135.08060	7.5
135.11696	3.0
136.08832	3.6
137.09621	34.7
137.52846	1.6
143.08519	4.9
145.10146	8.8
147.08055	11.6
147.11700	3.6
149.09566	4.8
151.07549	100.0
153.09103	10.8
155.10713	1.7
157.10127	3.4
159.08070	3.1
161.09641	11.6
161.13361	1.8
163.11171	8.7
165.09123	77.1
165.68860	1.5
171.11697	4.6
173.09708	2.3
173.11877	2.8
173.13272	5.6
175.11148	3.9
179.10674	3.5
180.09312	1.8
181.12225	5.9
185.09532	2.0
187.11221	1.8
189.12750	24.3
191.10645	3.3
191.14291	8.6
192.11429	5.2
193.10660	1.8
193.12215	10.0
194.12607	3.4
195.11746	1.8
197.11716	2.4
199.11136	1.7
203.14397	1.8
207.12032	2.3
207.13809	66.4
209.15355	32.1
211.11395	1.9
211.13297	3.3
221.13367	2.5
221.15323	2.5
225.14732	2.0
226.15269	5.3
241.12115	1.8
263.16394	3.8
273.18341	2.0
285.15109	2.7
287.20135	3.1
315.93814	1.6
317.17538	2.6
323.19955	3.2
337.22583	1.7
341.21167	11.3
355.22531	3.5
373.18719	7.4
373.23706	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01883	5.3
55.05496	2.3
57.03444	5.0
57.07063	4.2
59.04993	3.7
60.69821	0.9
65.03965	1.1
67.05498	4.3
67.08508	0.9
69.03410	3.0
69.07047	1.5
79.05485	6.0
81.03399	2.1
81.07052	6.8
83.04995	2.8
84.97438	1.0
85.06549	1.9
87.04476	19.3
91.05483	9.5
92.06226	1.0
93.07051	6.5
95.04962	4.5
95.08625	6.8
97.06554	1.7
98.59682	1.0
103.28430	1.0
105.07040	37.1
107.04956	2.0
107.08582	7.6
108.05699	1.6
109.06506	6.0
109.10144	4.0
111.08066	3.7
115.05415	1.7
117.07001	2.8
119.08592	9.2
121.06503	3.8
121.10123	4.0
122.07317	2.3
123.08076	48.4
125.05968	1.5
128.06233	1.6
129.07013	1.5
131.08582	5.1
133.06508	19.7
133.10147	11.7
135.08043	5.0
135.11673	3.0
136.08844	1.5
137.09634	24.7
143.08553	3.0
145.10161	5.6
147.08052	9.8
147.11636	4.1
149.09584	3.7
151.07553	100.0
153.09135	7.8
154.49103	1.1
155.08582	1.2
156.09410	1.9
157.10101	3.9
159.08047	2.5
161.09618	11.8
163.11220	6.1
165.09126	60.6
171.11656	1.6
173.11894	1.0
173.13284	4.3
174.10309	1.2
175.11182	2.4
179.10643	1.4
181.12210	4.4
182.10991	1.5
183.11700	1.5
187.11211	1.1
189.11101	1.8
189.12750	21.9
191.10692	3.8
191.14345	6.9
192.11404	3.7
193.12256	4.4
197.11667	1.2
207.13812	49.7
209.13530	1.3
209.15387	25.1
211.13266	1.6
213.12726	1.4
217.12247	1.1
255.13951	1.2
263.16409	3.4
267.13782	1.2
285.14868	2.1
287.20132	1.7
317.17435	1.2
323.19876	1.6
341.21149	12.8
355.22672	3.1
373.18845	4.9
373.23718	58.9
373.31146	2.3
374.24039	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01867	5.5
55.05503	4.4
55.86610	1.6
57.03436	5.8
57.07057	4.2
59.04995	6.9
67.05503	15.8
69.03428	5.4
69.07073	3.6
71.05003	1.9
71.52071	2.3
71.52450	2.8
79.05504	10.9
81.03408	7.6
81.07056	12.4
83.04980	5.1
83.08631	2.4
85.02911	4.3
85.06551	3.6
87.04462	23.4
91.05479	13.0
93.07039	9.9
95.04994	12.7
95.08626	10.3
97.02927	2.9
97.06567	2.9
99.04478	2.5
103.05455	3.7
105.07033	46.2
107.04916	1.6
107.08606	13.2
109.02887	2.5
109.06531	7.7
109.10168	8.4
110.84870	1.6
111.04449	3.1
111.08070	4.5
113.05949	1.9
114.71175	1.7
115.05450	2.2
117.07021	6.2
119.08588	12.2
121.06509	6.8
121.10167	5.8
122.07278	2.8
123.07194	3.6
123.08076	48.4
124.64337	1.8
125.06018	2.8
127.03902	3.1
129.07031	2.4
131.08583	6.8
133.06506	27.7
133.10150	23.5
135.08081	6.2
135.11667	3.3
137.09631	31.0
141.06882	1.7
143.08577	5.6
145.10133	7.5
147.08070	12.7
147.11702	3.2
149.09622	5.9
151.07552	100.0
151.11119	2.3
153.09116	9.9
157.10146	4.7
159.08032	3.9
159.11673	3.6
161.09637	13.8
163.11188	5.5
165.09119	73.8
165.12723	3.2
169.10091	3.9
171.08060	1.7
171.11665	3.6
173.09660	2.4
173.11752	5.8
173.13252	4.1
175.11221	4.6
177.09169	2.1
179.10637	6.6
181.12337	4.2
183.11630	2.7
185.13283	1.9
187.11279	2.7
189.11290	2.3
189.12782	19.2
191.10638	4.5
191.14340	6.9
192.11472	5.5
193.12267	11.2
195.11731	2.3
197.09721	3.0
197.11679	4.7
197.13312	4.0
207.13799	58.4
209.15372	31.9
211.13193	3.6
213.12845	2.3
221.13321	2.0
221.15292	3.2
241.12178	1.8
263.16354	3.7
267.13779	2.7
285.14993	2.2
287.20276	2.6
323.20135	3.6
341.21124	19.6
355.22699	4.9
373.13675	3.6
373.18661	16.2
373.23737	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01867	5.0
55.05517	3.7
56.96539	2.4
57.03425	7.8
57.07068	2.6
57.42068	2.1
59.04993	8.5
67.05520	16.7
69.03417	8.8
69.07050	3.2
71.04995	4.1
71.52432	4.0
79.05508	14.5
81.03415	5.0
81.07047	10.5
83.04971	7.5
85.02898	4.0
85.06552	4.7
86.59109	2.3
87.04478	19.9
91.05488	13.7
93.07027	14.9
95.04958	11.3
95.08601	10.0
97.06532	5.4
99.04392	2.7
103.05456	3.4
105.07040	53.2
107.04974	3.8
107.08578	11.1
109.06548	12.0
109.10143	16.2
111.04466	4.1
111.08065	6.0
115.05477	3.6
117.07059	5.7
119.08594	17.7
121.06489	6.1
121.10114	9.8
123.08073	55.5
123.17713	2.4
125.05972	2.7
127.03970	3.4
128.06201	2.6
131.08557	11.8
133.06500	21.5
133.10135	15.4
135.08011	5.3
136.08760	2.3
137.09621	34.3
142.07759	2.6
143.08554	5.3
145.10115	6.6
147.08052	12.7
147.11700	4.0
149.09616	6.3
151.07553	100.0
151.11185	2.7
153.09114	11.6
156.09320	2.8
157.10130	4.5
159.07980	4.2
159.11703	4.9
161.09607	11.9
163.11156	5.5
163.93315	2.3
165.09119	77.9
171.11674	2.4
173.09610	3.0
173.11879	4.4
173.13290	6.3
175.01581	4.4
175.11232	4.7
179.10640	3.1
181.12277	2.9
185.09666	2.8
189.12727	26.7
191.10640	5.7
191.14363	6.8
192.11359	2.9
193.12239	8.3
197.11633	2.9
199.11130	3.4
207.13803	66.9
209.15372	32.8
215.14352	2.6
247.58824	2.9
285.14728	3.4
299.67233	2.6
323.20099	2.7
341.21066	18.4
355.22653	4.2
373.18549	21.6
373.23709	71.0
374.24219	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03951	1.9
53.26626	1.1
55.05518	7.4
57.07074	2.3
59.04988	1.4
61.20622	1.0
61.42490	1.2
65.33691	1.0
67.05508	14.6
69.03436	7.9
69.07081	13.0
70.77675	3.2
71.04983	3.0
72.72657	1.0
77.03921	1.3
79.05496	2.2
81.03395	1.0
81.07072	16.5
83.04997	7.8
83.08619	7.5
85.02918	8.5
85.06550	2.7
91.05480	1.5
93.07047	8.5
95.08619	31.0
97.02921	2.7
97.10188	2.2
99.08081	2.5
105.07037	5.9
107.08601	19.5
109.06530	7.2
109.10166	100.0
111.08086	3.9
119.08596	42.2
121.10145	13.1
121.26871	1.1
123.08099	10.1
123.11720	7.9
133.10146	20.7
135.11703	98.6
137.09622	14.3
139.11188	1.7
145.04964	1.9
147.11705	1.4
149.13268	5.8
151.11174	9.9
151.14816	9.4
152.31526	1.2
153.12775	3.4
153.95921	1.1
165.16364	1.9
175.13295	2.5
175.14842	45.5
193.15903	68.0
194.16287	1.8
195.99812	1.1
199.50311	1.0
211.16946	68.0
274.41174	1.1
294.59601	1.1
361.01056	1.1
382.24191	1.1
385.53067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
55.05516	7.3
57.07076	2.3
59.05019	1.7
67.05514	15.6
69.03439	7.1
69.07073	12.2
70.06580	1.9
70.69405	1.0
70.92175	1.1
71.03899	2.5
71.04996	3.1
79.05494	3.5
81.03422	2.1
81.07062	18.9
83.04985	9.0
83.08615	7.1
85.02898	10.9
85.06532	4.4
86.09722	1.4
91.05474	2.6
93.07044	9.0
95.04963	1.9
95.08614	32.9
97.02899	3.3
97.06545	2.4
97.10147	3.1
99.08093	3.2
105.07049	5.6
107.08605	21.5
109.02860	1.1
109.06532	8.3
109.10164	94.0
111.08086	4.5
113.09687	1.6
114.18130	1.1
119.08593	38.7
121.10148	11.3
123.08077	15.3
123.11703	7.3
125.09594	1.6
127.03873	1.4
133.10138	24.8
135.11702	100.0
137.09631	18.0
139.11154	2.1
145.04991	1.4
147.11646	1.9
149.13297	6.5
151.11205	8.6
151.14832	8.6
153.12738	2.8
159.09491	1.1
165.12735	2.0
165.16379	4.8
167.07063	2.7
175.14838	42.2
181.04945	1.9
193.15895	60.8
211.16949	71.5
286.02859	1.4
364.71988	7.0
372.71765	2.3
373.13733	1.6
373.21411	3.3
373.71573	1.4
391.12555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.0
57.03425	4.2
60.70306	3.3
64.26997	3.6
67.05513	24.1
68.83164	3.4
69.03442	7.7
69.07075	14.8
70.06582	9.7
70.91020	8.3
71.04995	6.6
72.08142	5.1
79.05510	6.1
81.07063	25.9
83.04994	16.3
83.08633	8.0
84.08168	8.3
85.02460	4.6
85.02924	16.4
85.06537	6.5
86.09725	12.2
91.05473	8.9
93.07056	15.4
95.04994	8.6
95.08628	37.0
97.02915	4.5
97.06561	7.6
99.04474	14.1
105.07035	11.4
107.08588	28.0
109.06528	7.6
109.10175	100.0
111.08094	7.9
119.08601	35.5
121.10175	16.4
123.08072	14.7
123.11722	10.4
125.09657	7.0
125.56760	3.6
127.03929	6.2
127.11252	3.9
129.07037	4.4
133.10144	30.8
135.11703	79.1
137.05983	15.9
137.09665	12.1
142.34212	3.8
143.08629	4.1
145.10236	4.6
149.13310	5.8
151.07558	5.8
151.11238	11.0
151.14877	7.3
175.14833	44.9
175.60872	3.9
181.04973	9.7
193.15900	55.2
201.05469	7.8
211.16949	68.3
223.97069	10.6
251.39009	4.2
255.71414	4.4
355.11780	6.2
373.13141	5.2
373.19495	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33111	1.6
53.03952	4.1
55.01874	7.9
55.05518	25.3
57.03437	3.6
59.05010	1.8
61.01159	2.8
61.02911	4.0
65.62858	2.0
67.05506	26.7
69.03426	8.3
69.07072	10.2
71.04997	3.2
71.53111	1.8
77.33810	1.6
79.05501	36.1
81.03426	9.3
81.07063	72.2
82.04189	2.7
83.04993	7.2
83.08638	13.7
85.02905	5.1
87.02679	5.3
91.05492	25.2
93.07051	25.1
94.07906	1.8
95.04976	84.6
95.08627	15.4
96.05753	7.0
97.02899	5.0
97.06534	6.0
97.10173	13.9
99.04457	2.8
105.03439	2.0
105.07041	21.5
107.04952	17.1
107.08604	21.9
109.06545	23.8
109.10181	14.7
111.04459	2.7
111.08098	5.1
115.05536	2.2
117.07026	14.9
117.35532	2.1
119.04967	1.9
119.08594	30.8
121.06507	15.0
121.10155	12.2
123.08064	11.2
123.11736	2.7
125.06016	3.5
125.09641	12.4
127.03896	2.2
129.07042	8.3
131.08569	15.0
133.06516	5.9
133.10149	13.1
135.08086	11.3
135.11679	6.3
137.09630	6.2
143.08580	7.9
145.10127	20.7
147.08057	13.8
147.11713	5.2
149.09601	13.4
150.10359	1.9
151.11232	2.4
153.05521	2.8
153.08939	1.9
155.07185	1.9
155.08527	3.0
157.10110	6.6
159.08098	5.1
159.11716	8.5
161.09618	8.4
161.13295	4.1
163.03917	2.2
163.11192	13.7
166.09912	4.0
169.10071	2.7
171.11687	4.0
173.09633	4.1
173.11713	3.1
173.13268	2.5
175.11226	5.9
181.12245	2.2
185.13254	2.2
187.11159	2.6
189.09071	2.5
189.11234	6.7
191.10616	2.6
193.12286	2.2
195.11667	2.0
199.11304	2.1
199.14818	2.9
206.13126	2.2
207.13628	2.3
213.05467	3.4
213.12892	2.0
213.16472	2.2
219.13625	2.2
223.13286	10.1
224.14142	11.6
237.16452	2.6
245.19078	2.9
249.14912	6.1
249.18575	3.5
255.17400	5.0
261.81918	1.7
262.17340	1.8
273.18518	36.5
274.19385	3.4
275.20163	4.1
291.19565	100.0
292.12167	2.6
292.20209	8.6
293.13428	4.3
337.18042	2.8
337.21753	3.5
355.19043	4.3
355.22745	4.1
373.19095	7.6
373.23959	2.7
374.15686	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	373.0768
Annotation	2-O-Caffeoylglucarate
Peak:m/z	Relative Intensity
56.61729	0.8
59.01986	0.8
69.48003	0.7
69.72784	1.5
69.73196	2.5
79.05510	1.2
79.71213	0.8
89.03918	10.8
90.32912	0.8
107.04936	2.9
117.03386	11.3
123.05555	1.8
135.04430	23.3
136.06218	1.5
145.02853	12.2
145.03888	1.3
147.04443	1.9
153.00986	1.2
163.03923	100.0
164.04303	2.1
181.05017	1.5
198.31656	0.8
210.20306	0.8
248.29041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65261	0.2
53.03935	0.5
55.01883	0.5
57.03435	0.3
62.45005	0.2
65.03946	4.8
67.05511	2.1
68.99786	0.3
69.03418	1.1
69.74155	1.1
70.06577	1.2
72.08166	0.4
78.84921	0.2
79.05489	0.5
82.04199	2.5
83.01334	0.5
83.04971	0.3
84.04509	0.5
84.08142	1.0
85.02907	3.7
85.88123	0.2
86.09702	1.0
93.03417	1.4
95.04951	0.9
97.02876	0.6
97.06513	1.3
98.20853	0.4
100.53545	0.3
101.02390	0.5
108.02099	1.1
108.04427	0.3
110.03664	2.9
111.04438	0.8
119.04927	0.3
120.08145	0.3
121.03906	0.3
123.00797	0.5
123.04442	0.4
125.02337	0.3
125.06014	1.8
129.10219	0.6
130.56116	0.3
135.04460	0.4
137.05968	0.4
138.03145	1.8
140.04710	1.7
142.02621	2.4
145.02888	0.3
147.04417	0.6
153.05472	1.7
155.07101	0.5
156.04298	0.3
163.03903	1.3
171.06546	2.5
181.04964	100.0
182.05328	0.8
199.05994	0.4
201.05508	0.6
212.20966	0.3
219.47719	0.3
299.07098	0.3
327.06863	0.3
373.07629	1.8
373.14682	0.7
373.18588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01861	1.9
55.05508	1.3
70.06584	4.3
70.18445	1.1
71.50666	1.9
73.02926	3.6
79.05486	14.8
84.08147	2.2
85.02943	2.4
86.09685	1.5
89.03903	5.1
89.72127	1.1
93.03410	1.7
95.04949	1.5
97.02880	3.5
101.02376	4.7
105.03793	1.4
107.04957	53.3
108.01452	1.1
108.22446	1.0
111.00803	1.8
111.04442	3.8
113.02415	1.3
117.03394	5.2
119.03445	1.3
120.99569	2.8
121.06566	1.5
123.04438	13.8
123.05548	4.8
129.01854	2.7
135.04414	100.0
136.06175	5.0
137.60130	1.0
139.03906	3.5
145.02832	3.1
147.02895	4.1
153.05467	81.9
163.03908	35.2
164.04697	3.1
164.07111	1.6
180.24480	1.2
181.04907	5.9
211.06332	6.4
214.52155	1.2
247.05988	2.0
272.10687	1.3
285.70261	1.1
355.06619	1.7
373.07291	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98362	1.0
66.72286	0.9
70.55340	2.4
70.55680	1.1
79.05504	1.4
89.03928	9.3
92.07048	1.0
107.04957	3.1
117.03393	12.7
135.04417	17.2
145.02844	13.2
163.03914	100.0
164.04280	1.4
173.99326	1.0
196.20895	1.1
207.34254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93529	1.8
69.16076	10.2
69.16496	4.5
70.06599	2.2
71.93020	1.7
72.08163	4.4
73.02903	1.4
73.08477	2.4
73.32526	1.3
79.05502	5.4
89.03918	9.2
106.34583	1.4
107.04960	19.1
117.03384	11.9
118.08699	2.7
119.09006	2.1
119.89011	1.4
123.04445	3.2
135.04420	44.3
145.02841	15.8
147.02913	1.7
150.89583	1.5
153.05496	21.8
163.03922	100.0
164.04340	2.2
180.89540	1.6
181.04942	4.9
203.91287	2.7
211.06517	2.9
272.40149	1.8
302.07428	1.8
373.03815	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	372.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09635	15.1
55.05510	39.2
56.95369	17.5
57.07072	16.3
65.70209	13.6
67.05499	42.7
69.03386	21.0
69.07054	35.6
69.58186	100.0
73.78279	15.0
79.05495	29.9
81.03372	18.3
81.07045	55.3
81.51133	14.9
83.04972	20.1
83.08603	21.7
85.02901	27.0
85.06559	24.3
91.05453	20.6
93.07034	37.9
95.08575	18.7
105.40029	18.8
107.08580	26.1
108.54665	14.6
109.06495	32.3
109.10153	39.5
111.04414	21.0
111.08099	30.3
119.08556	32.2
125.09615	26.1
133.10127	26.3
150.10069	16.1
151.40013	19.1
171.10126	58.8
182.85883	16.1
183.92540	15.3
189.11197	45.4
199.29614	16.9
207.12222	45.0
259.25110	15.4
291.19534	28.4
372.22522	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	372.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00996	0.3
63.82102	0.3
70.90248	0.9
71.94192	0.4
79.05487	0.7
89.03925	4.8
107.04964	1.5
117.03390	8.6
135.04425	14.3
145.01657	0.4
145.02853	12.7
163.03914	100.0
164.04280	1.0
180.61143	0.4
268.74313	0.3
273.38120	0.3
286.01370	0.3
355.06680	0.4
393.54321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
71.08401	0.6
79.05483	0.8
89.03925	4.8
92.31636	0.3
103.03978	0.3
105.04483	0.3
107.04967	2.2
107.49603	0.3
117.03397	7.3
118.26721	0.3
135.04434	15.7
145.02863	10.4
145.04010	0.5
163.03923	100.0
164.04268	0.8
181.04955	1.1
198.09222	0.5
355.06641	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	372.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.3
69.84747	1.2
70.06583	1.1
72.08169	0.3
76.45172	0.3
79.05483	0.8
83.40507	0.3
84.08138	0.6
85.02860	0.4
86.09711	1.1
89.03928	5.0
90.98209	0.2
91.05452	0.4
95.04954	0.3
107.04974	1.7
110.07133	0.2
114.94973	0.2
117.03388	8.0
119.04901	0.5
120.05238	0.3
130.15932	1.1
135.04425	15.8
145.02855	11.6
145.03999	0.5
147.04410	1.1
148.04767	1.3
159.07613	0.3
163.03914	100.0
164.04259	0.6
175.07742	0.3
181.04948	4.3
250.33311	0.3
259.12860	0.3
271.25058	0.3
301.28677	0.3
355.06641	0.6
372.17163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	0.2
63.02375	0.2
67.05505	0.3
69.03423	0.3
70.06594	2.5
71.51951	0.2
72.08143	0.7
74.00684	0.2
79.05489	1.0
81.03417	0.2
81.07035	0.4
82.06588	0.2
84.04487	0.3
84.08136	1.0
85.02895	0.4
86.09709	1.1
89.03919	4.3
89.05990	0.3
91.05482	0.5
91.32221	0.2
91.37346	0.2
94.65112	0.2
95.04952	0.5
97.74483	0.2
103.17391	0.2
105.07021	0.4
107.04969	1.6
107.08594	0.4
107.28789	0.2
110.07160	0.4
111.04481	0.2
117.03385	6.3
117.05498	0.3
119.04920	0.3
120.08085	0.5
121.10155	0.8
129.10229	0.4
130.06552	0.4
135.04417	13.1
136.06253	0.2
136.07520	0.3
139.03845	0.2
145.02844	11.0
147.04398	0.3
152.03746	0.4
163.03902	100.0
164.04173	1.2
164.10735	0.5
167.10648	0.4
175.07698	0.2
177.05495	1.0
179.03453	0.2
181.04930	0.5
186.05508	0.2
192.04805	0.3
210.11337	0.7
233.76782	0.2
301.09354	0.2
337.05481	0.8
345.56476	0.2
354.33859	0.2
355.06415	1.5
372.17181	0.5
372.22092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
58.83636	0.3
61.02921	0.5
61.98929	0.3
63.02359	0.4
63.12558	0.3
65.03937	0.4
68.70740	0.3
69.03423	0.5
69.07086	0.7
70.06596	6.5
70.47298	1.0
71.04976	0.9
72.08150	1.3
74.82803	0.3
79.05479	0.8
81.07053	0.5
81.54618	0.3
84.04497	1.1
84.08139	2.0
85.02887	1.0
86.06075	1.0
86.09717	4.3
89.03920	4.1
89.06032	2.6
90.06378	0.8
91.05488	0.7
93.07041	0.4
95.04975	5.7
96.05305	2.3
97.02876	0.6
97.06548	0.3
97.07713	0.3
98.06068	0.4
98.97588	0.6
99.04455	1.3
100.04790	0.5
107.04975	1.8
110.07129	0.4
112.08718	1.0
114.09197	0.5
115.08643	0.3
117.03391	6.2
119.04989	0.6
119.08606	0.4
120.05288	0.4
120.08128	0.6
127.03946	0.4
129.10210	0.6
133.08592	0.8
134.08946	0.4
134.10439	0.6
135.04419	12.9
143.11855	0.8
145.02859	10.5
145.04018	0.6
147.04413	1.3
148.04767	1.2
153.09138	1.8
154.09468	1.1
159.09364	0.5
163.03912	100.0
164.04279	1.2
167.10703	0.9
174.13664	0.6
175.11884	0.6
181.05003	1.3
186.07285	0.3
191.14581	0.4
192.14574	0.4
195.07796	1.5
201.05446	0.4
209.15436	1.5
210.15747	1.9
237.02635	0.4
280.16949	1.4
280.66971	0.3
336.71167	1.6
337.05560	0.7
337.21155	0.9
355.06665	2.0
371.88730	0.5
373.18127	2.2
389.14667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51033	0.4
55.01873	0.9
55.05501	1.4
57.03420	0.5
60.79196	0.3
61.02925	1.2
61.21452	0.4
65.03937	1.0
66.43690	0.3
67.05507	2.1
69.03430	3.5
69.07064	0.8
70.06590	4.1
70.79712	1.0
71.04995	5.0
72.08152	1.0
73.02904	0.7
73.04768	0.4
77.30466	0.4
79.05496	0.4
81.03440	1.9
81.07053	1.4
83.04977	1.9
83.08629	0.7
84.04498	1.4
84.08154	2.2
85.02907	9.3
85.06534	1.2
86.09705	3.1
87.04450	0.3
89.03960	0.4
89.06034	2.5
89.24072	0.3
91.03946	0.6
91.05453	4.7
93.07049	1.8
95.04970	100.0
95.08598	0.5
96.05263	0.5
97.02901	3.2
97.06528	0.7
99.04458	22.2
99.08024	0.5
101.06001	0.7
105.07044	0.8
106.98638	0.7
107.04971	0.5
107.08575	1.2
109.02909	1.7
109.06512	0.8
109.10161	1.6
111.04449	0.6
111.08089	1.1
113.48132	0.4
114.72010	0.4
115.07574	0.6
116.07127	0.5
117.03402	0.6
119.04953	5.6
119.08540	0.6
121.06505	0.4
121.10188	0.7
127.03950	1.9
129.10254	1.0
131.08563	0.8
133.08598	1.3
133.10121	5.2
135.04443	2.2
135.08063	1.3
136.07635	0.6
137.06010	0.8
137.09645	0.5
145.02841	1.1
145.04955	0.9
145.06073	0.8
147.04417	17.6
147.11729	0.6
148.04814	0.5
149.09637	0.6
151.07562	0.6
151.11203	1.0
153.09105	30.5
163.03911	10.5
165.16031	0.4
166.08640	0.6
167.07039	0.4
167.09015	0.4
167.14378	0.5
173.13249	3.5
181.12228	0.7
191.14323	2.3
209.15369	33.4
210.01282	0.5
210.15897	0.4
249.92197	0.4
258.68640	0.4
275.42758	0.4
276.78687	0.4
283.10312	0.5
285.00974	0.5
320.18750	0.4
328.38004	0.4
339.05594	1.1
343.12173	0.6
353.14395	0.5
355.07135	0.6
371.11835	0.9
371.16696	2.5
371.20490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.73117	1.7
55.05508	1.5
61.59040	1.4
63.57085	1.4
69.03434	5.0
69.58627	1.4
70.65119	4.2
71.40147	1.5
76.56683	1.3
79.05511	3.5
81.07066	7.2
85.02914	2.4
91.05453	4.1
99.27209	1.6
101.93799	1.5
105.07037	5.6
107.08612	13.9
109.06493	3.2
109.10172	3.8
109.47957	1.6
116.75867	1.5
117.06971	2.1
119.08620	2.4
121.10149	11.6
122.07280	3.9
131.08548	2.3
133.10141	100.0
134.10458	1.7
135.08058	12.1
137.09627	52.0
149.13280	9.9
163.14790	1.9
173.13321	5.2
173.32378	1.7
191.14334	40.6
209.15359	7.4
244.40761	1.5
291.18741	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.44498	1.3
53.03939	3.9
53.81611	1.2
55.01857	4.9
55.05509	9.8
57.03442	8.3
65.03948	1.2
67.05502	8.5
69.03157	1.6
69.03442	16.2
69.07076	16.2
70.06575	2.1
70.22066	1.3
71.04988	7.4
71.52110	1.5
73.02916	1.4
73.04736	1.4
79.05490	8.7
81.03435	13.8
81.07071	9.6
82.04203	3.9
83.04974	9.0
83.08608	4.9
84.08150	2.6
85.02906	17.9
85.06525	2.4
85.54186	1.3
86.09730	1.3
87.04455	1.4
91.05463	10.1
93.07046	19.3
95.04970	4.4
95.08611	11.8
97.02895	8.3
97.06538	3.4
99.04483	8.5
103.03949	6.1
105.07066	6.8
107.04929	2.7
107.08604	15.7
109.02894	4.0
109.06506	5.1
109.10150	3.2
111.04440	5.0
111.08084	22.1
113.09639	1.4
116.12840	1.4
117.07047	2.1
119.04917	1.6
119.08562	5.9
121.06506	11.6
121.10144	11.4
123.04401	2.2
123.08074	7.4
125.09566	2.0
127.03931	11.2
127.07539	2.8
129.05505	3.1
129.07007	2.1
131.08540	9.2
133.06551	1.8
133.10149	10.9
135.08061	14.0
135.11720	3.6
137.05995	3.2
137.09612	4.5
139.07553	16.5
141.09145	10.2
145.04967	2.0
145.10136	3.4
147.04417	3.7
147.06525	2.2
147.08046	1.8
147.10530	1.9
147.11693	32.3
148.04793	2.4
149.09651	9.2
149.13261	10.9
151.07590	7.7
154.02634	1.3
161.09608	4.9
163.11162	4.8
165.09074	1.6
167.06970	2.3
169.04984	2.0
173.09607	1.9
173.13310	11.1
176.11922	1.8
181.04977	2.1
182.15378	1.6
189.12660	1.6
190.91800	1.4
191.10696	5.1
191.14317	100.0
209.11807	20.9
209.15347	34.2
249.09192	4.3
250.06187	1.5
252.07835	3.9
265.05069	1.2
265.08643	5.5
265.63348	1.6
266.09409	3.4
269.13846	27.8
277.08597	2.5
280.07242	2.5
293.11752	2.6
296.10504	2.1
311.12714	3.4
321.11197	2.6
339.12283	29.0
340.13113	2.0
371.14929	21.4
371.20441	3.8
379.50143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31218	0.5
55.05499	1.2
58.71369	0.5
59.04976	0.7
64.53008	0.5
65.03926	2.8
67.05486	0.6
69.03426	1.0
69.07073	0.7
69.56346	2.3
69.56760	0.8
70.02927	0.6
70.06602	4.7
70.10675	0.6
72.08148	1.8
73.04766	0.7
76.03943	0.5
79.05473	0.7
81.03416	0.7
83.04977	1.2
84.08154	3.5
85.02892	1.6
85.06529	0.6
86.09706	5.0
88.04050	0.6
89.06022	1.0
91.05473	17.6
92.05817	1.1
93.07039	1.2
95.04963	4.4
97.02884	1.0
97.63561	0.5
99.04454	1.2
101.05994	0.9
105.07012	0.9
107.04916	0.5
107.08601	1.2
109.02867	0.7
110.07185	1.2
111.04441	1.3
119.04946	31.1
119.08575	0.7
120.05270	3.1
120.08117	1.8
121.10126	0.8
123.04435	1.2
123.08062	0.5
124.07598	0.5
125.05956	0.5
129.05502	1.3
129.10237	2.3
133.08521	0.5
133.10141	0.9
135.04443	1.0
135.06801	0.8
136.07579	2.1
137.06023	0.8
137.09647	0.6
145.02878	0.8
145.10220	0.7
145.64215	0.6
147.04414	100.0
148.04756	15.9
148.05963	0.8
149.06029	0.7
153.09157	1.2
163.03911	6.0
163.11179	1.8
164.04253	1.5
165.04372	1.1
165.09125	6.2
166.08586	0.6
167.07079	0.8
177.05452	0.9
179.03386	0.7
181.04927	1.1
182.08105	0.8
195.08502	0.6
209.04564	0.8
209.15434	1.3
222.58463	0.5
259.14603	0.7
285.00903	0.6
343.12061	0.6
371.12192	2.0
371.16766	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	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56366	1.9
55.01888	2.1
55.05517	2.7
58.58413	1.8
67.05501	2.7
67.59745	1.7
69.03458	2.3
69.07039	2.2
70.06596	2.9
70.10353	7.5
72.08139	1.8
74.28441	1.9
76.29062	1.7
79.05502	10.5
81.07053	4.2
83.04979	3.7
83.08629	2.2
84.08138	3.6
86.09679	2.3
91.05447	14.3
93.07038	4.4
94.04187	4.2
95.04966	4.7
95.08590	2.1
97.02889	2.0
99.04476	2.9
105.07035	7.3
107.04947	15.9
107.08572	2.5
109.06511	2.1
109.10180	3.8
111.04478	1.9
115.05460	3.8
116.06226	3.1
117.07050	3.3
119.08556	3.0
121.06503	2.2
121.10181	2.9
122.03680	5.4
122.10431	2.0
123.04474	2.0
124.05201	2.7
125.09650	2.3
127.07515	2.2
128.06258	4.5
129.05484	2.4
129.07021	13.7
131.04955	3.4
131.08601	12.2
137.05989	100.0
141.07048	4.2
144.05699	9.5
145.06519	5.4
146.06050	2.2
147.06596	2.1
147.11688	1.9
149.06049	2.6
151.03952	4.5
151.07594	5.4
153.05450	2.6
156.05713	23.0
157.06480	6.8
158.35474	2.2
159.08061	18.7
160.05272	2.8
161.05983	2.4
161.09586	2.2
163.03986	2.4
167.07053	36.0
169.06519	3.9
172.05144	3.2
172.93468	2.6
173.06073	3.9
174.06775	7.1
175.07578	9.1
177.05487	5.6
178.07790	2.9
179.07050	2.5
181.05003	4.3
181.08687	2.2
184.05325	2.3
186.06808	5.3
187.07574	21.5
189.07144	3.6
189.09128	7.1
190.07774	4.0
191.08577	2.2
195.08099	2.1
199.07585	2.5
201.09122	2.5
201.92729	1.9
202.06236	8.2
202.07884	2.6
203.08640	7.0
204.09349	3.2
205.06622	2.3
205.08624	7.0
205.10342	2.2
206.07301	5.5
207.08162	2.7
208.96710	2.1
211.07680	3.4
214.06151	2.1
215.07013	5.4
215.08714	5.2
217.08612	77.5
218.07294	8.4
219.08093	8.3
219.10164	6.2
220.08838	3.3
221.09695	10.5
223.07581	5.3
224.04707	3.6
225.05441	2.0
226.06238	5.2
231.08064	8.7
232.08975	4.6
233.09631	14.2
234.06761	8.4
235.07561	10.0
236.08427	2.3
238.09894	3.1
239.07033	27.0
241.08598	12.8
242.05684	4.7
246.06805	6.3
247.07495	6.7
247.09705	29.2
248.08414	6.2
249.09097	22.2
250.06255	2.1
250.09906	4.3
251.07025	5.7
252.07939	7.5
257.08096	5.6
260.08304	5.3
261.09103	24.5
262.06244	3.9
263.06992	9.8
263.10672	4.2
264.07840	3.4
265.08545	5.4
266.09421	6.9
267.10068	2.9
269.08081	6.8
271.06061	8.0
276.07932	3.2
277.08627	23.0
278.09354	13.2
279.06592	3.7
279.10071	3.4
280.07129	4.4
281.11725	8.4
283.09711	2.0
285.01059	2.6
285.07599	59.5
286.08206	3.8
289.08667	8.1
291.06586	2.4
291.10187	3.7
292.07336	2.6
292.10834	3.4
293.08289	5.0
293.11731	19.8
294.08963	2.3
295.09680	6.6
298.08551	3.6
300.09949	76.7
301.10770	14.4
306.08987	8.4
307.09674	5.8
309.11246	27.2
311.09238	4.6
311.12778	3.0
313.10855	8.6
321.11234	35.3
322.11884	4.9
323.09113	5.5
326.11505	21.7
338.11539	4.9
339.12439	4.8
339.94797	2.8
341.13843	23.0
353.09921	3.5
353.13907	57.8
371.14975	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	371.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39555	0.5
53.03939	0.8
55.05510	1.0
57.07074	1.2
60.13123	0.5
65.03945	2.5
67.05495	0.7
69.03428	1.5
69.07063	1.2
70.02959	0.5
70.06595	4.5
71.04982	0.9
71.30299	1.1
72.08144	1.5
79.05508	1.0
81.03394	0.7
81.07076	0.7
83.04974	1.4
84.04520	0.7
84.08162	3.6
85.02891	1.5
86.09714	4.4
89.06029	1.6
91.05483	21.3
93.07030	1.1
95.04968	6.2
97.02911	1.0
99.04462	1.7
101.06022	1.1
105.07028	1.1
109.02868	0.7
110.07173	1.0
110.20927	0.5
111.04422	1.3
117.03377	0.7
119.04951	31.8
119.08583	1.2
120.05296	1.6
120.08147	0.8
121.10096	0.7
123.04456	0.9
127.03843	0.7
129.05490	0.9
129.10252	1.9
133.08577	0.7
133.10086	0.6
135.04422	1.0
135.06772	0.9
136.07616	1.2
137.05981	0.8
137.09601	0.8
145.02876	0.8
145.10121	0.8
146.06021	0.7
147.04420	100.0
148.04758	8.1
151.11172	0.5
153.09090	0.9
163.03920	4.8
163.11253	2.5
164.04230	0.9
165.04364	0.6
165.09128	7.9
167.09038	1.0
181.04971	0.7
182.08109	0.9
209.04468	1.0
209.15448	1.1
229.33812	0.6
233.15407	0.8
355.06915	0.6
371.12039	1.5
371.16794	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	371.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72389	4.9
68.25196	5.3
70.06596	18.3
70.07216	18.1
73.04756	6.6
90.91635	5.1
91.05801	9.1
94.93034	15.6
123.04453	5.5
137.02318	6.7
179.03391	6.5
196.86877	23.1
203.90414	5.9
204.87041	17.0
205.35973	5.7
212.84181	64.2
214.84132	17.6
355.06982	11.0
370.74948	6.9
371.07428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	27.7
55.05516	38.4
57.03423	19.1
63.38373	17.4
64.08074	16.2
67.05503	73.8
69.07067	33.8
77.58427	18.7
78.41142	15.7
79.05505	33.9
81.07039	100.0
83.04970	25.8
83.96638	22.0
91.05481	76.6
93.07043	69.1
93.68176	18.3
95.04981	68.5
95.08604	39.9
97.06578	20.0
105.07041	69.1
107.04967	60.8
107.08613	37.1
109.06547	43.2
109.10184	62.6
111.04533	19.6
117.07042	27.0
119.08597	49.3
123.08144	23.6
125.05984	21.0
131.08603	40.6
133.10156	52.4
135.08072	23.8
137.09625	20.5
143.08673	23.0
145.10130	51.7
147.08060	36.0
147.11694	19.2
161.09688	25.3
167.03741	18.4
175.11217	48.9
187.14856	18.5
233.11835	18.0
233.15309	33.1
251.16498	56.8
258.63388	20.1
290.18820	67.3
291.19461	26.4
293.34302	18.6
308.86316	18.5
325.20035	31.3
370.21225	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
53.45221	3.2
56.05042	5.0
68.99812	3.0
70.06596	15.7
71.02859	7.5
72.08167	6.1
73.02955	3.5
77.03924	9.6
79.05470	3.3
81.07063	3.1
83.04969	3.6
84.04503	4.6
84.08141	10.1
85.02886	7.6
86.09722	12.5
89.03940	3.4
90.04256	4.6
91.05482	16.9
92.38640	3.8
95.01330	5.3
95.04999	7.3
99.53578	3.2
101.02385	6.1
105.03400	33.8
107.04951	8.8
110.06073	5.3
110.07175	6.5
111.06410	4.2
117.03421	6.1
117.09128	4.2
117.65496	3.5
118.03711	5.3
119.04939	28.1
120.08108	3.4
123.04424	7.1
127.03931	3.2
129.10283	7.3
133.02872	93.4
135.04420	16.4
136.04791	7.8
136.07573	27.1
136.75775	3.8
137.07913	15.4
140.07103	4.1
145.02866	5.9
146.03166	8.0
147.04428	100.0
151.03932	6.7
161.02388	19.5
163.03952	42.6
164.04251	56.9
164.07091	42.7
165.07433	47.5
178.05862	3.4
179.03416	65.0
182.08154	37.6
183.08484	40.5
185.50352	3.2
213.10318	9.0
241.09746	9.6
273.67459	3.4
335.03943	6.6
353.04950	27.8
370.08536	12.8
370.14108	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	370.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05510	0.2
57.96123	0.2
63.02391	0.3
65.03931	0.7
69.03419	0.3
69.07059	0.3
70.06573	0.8
70.97544	0.5
84.08160	0.3
85.02885	0.6
86.09710	4.3
87.10004	0.2
91.05486	9.5
93.07074	0.2
95.04976	0.3
96.05278	0.3
97.02902	0.2
98.09666	0.4
101.02396	0.5
105.07040	0.3
110.07185	1.9
119.04946	24.0
120.08125	0.5
129.10321	0.3
147.04414	100.0
148.04765	0.8
152.11537	0.3
153.89925	0.2
159.11751	0.3
185.13223	0.2
190.13100	0.3
192.14648	0.4
199.18134	0.4
207.13768	0.3
208.14145	0.6
210.01401	0.2
258.04395	0.2
271.10367	0.4
281.12164	0.4
285.29959	0.2
371.17075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41742	1.2
53.03957	2.6
57.03436	1.6
61.02922	1.9
69.03437	10.2
69.81725	4.2
71.04974	3.7
73.02917	3.2
78.63585	1.1
81.03422	12.3
85.02911	72.9
87.04530	1.1
89.03908	1.5
90.04295	1.1
97.02905	21.5
98.21494	2.1
99.04464	38.9
102.98357	1.0
103.03950	92.8
109.02890	15.2
117.03379	1.9
118.03677	1.2
127.03927	100.0
135.04404	1.8
136.04701	2.2
145.04965	62.4
146.03169	2.1
147.04393	1.5
163.04002	9.0
163.06024	53.5
164.04250	10.7
187.05997	4.6
205.07083	2.3
253.07129	2.4
271.08203	8.3
289.09210	10.8
307.10199	12.8
335.13525	3.3
338.04886	1.0
358.34601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	0.2
57.07094	0.3
59.05003	2.7
59.62400	0.2
65.03937	0.7
65.25437	0.3
66.68675	0.2
70.06596	0.3
70.84759	0.5
78.90900	0.2
84.08141	0.4
91.04902	0.4
91.05479	8.8
111.80995	0.2
115.11195	0.6
119.04945	23.1
120.05258	0.2
122.70596	0.2
123.37779	0.2
147.04411	100.0
148.04762	1.0
176.04456	0.2
187.16786	0.2
191.16429	1.0
228.16031	0.3
241.28476	0.2
267.73880	0.2
370.26035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83109	3.3
53.31718	3.6
53.96094	3.2
55.05499	8.9
57.03426	6.3
57.07072	8.6
58.78708	3.5
59.39664	2.8
67.05508	25.8
69.07065	17.2
69.22820	8.2
69.23227	24.9
79.05479	13.8
81.07058	22.2
83.04990	5.6
83.08609	5.6
85.10167	8.5
86.09715	88.6
91.05483	18.2
93.07050	23.8
95.04964	13.9
95.08605	24.2
97.06512	4.5
98.21527	8.0
99.08044	4.1
105.07044	22.1
107.04922	3.5
107.08580	12.2
109.06505	9.4
109.10142	16.4
111.08103	3.8
113.09641	9.9
115.07526	4.1
117.06992	6.6
119.04926	3.9
119.08572	10.8
121.06497	4.7
121.10119	7.7
123.08038	6.7
128.10712	5.4
131.08588	8.1
132.10213	28.1
133.10132	21.5
133.87018	3.3
135.08069	5.1
135.11688	3.9
143.08614	4.1
145.10095	4.3
147.04361	4.1
147.11725	16.4
149.09616	10.7
151.07530	5.6
151.11182	46.4
161.09561	4.3
161.13272	3.4
163.11183	4.2
165.12749	15.9
175.03905	3.7
179.76965	3.4
193.12192	4.5
207.06483	5.3
260.20056	6.9
277.21628	23.5
278.21204	29.7
295.22742	23.6
306.20703	8.8
324.21722	100.0
351.25150	5.5
369.26346	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	369.2637
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03892	2.2
55.01843	1.5
55.05452	13.6
57.03378	8.8
57.03683	1.1
57.07015	8.4
59.04947	0.9
67.05440	24.4
67.05829	2.2
69.03387	1.4
69.07003	14.1
70.10881	3.4
71.04928	4.8
71.08581	1.9
77.05699	0.8
79.05497	13.3
81.03414	6.3
81.07062	25.1
83.04996	5.0
83.08630	6.8
85.02912	3.7
85.06491	2.7
85.10188	19.3
86.09705	6.1
87.04417	0.9
91.05489	13.4
93.07050	15.4
95.04972	14.8
95.08613	12.7
97.06436	2.4
97.10165	3.7
97.20589	0.8
99.04393	1.3
99.08032	2.1
104.22715	0.7
105.07033	12.8
107.04938	3.6
107.08599	13.0
109.06527	6.0
109.10162	25.6
111.08033	2.4
113.05956	1.0
113.09650	18.5
117.06979	1.5
119.08603	6.4
119.09382	1.2
121.06432	0.8
121.10149	7.4
121.33616	0.7
123.08003	3.1
123.11700	4.1
125.09562	2.4
127.07450	1.1
129.06941	1.9
131.08569	4.5
131.09364	0.9
132.10135	2.4
133.10126	12.4
135.11624	2.3
137.09535	0.9
141.12662	1.5
143.08479	1.5
143.57269	0.7
145.10072	2.6
147.11722	6.2
149.09622	4.6
149.13268	1.5
151.11185	9.0
153.12680	1.5
157.10112	2.0
159.10202	0.7
159.11578	1.3
161.13225	1.5
163.11107	3.4
163.14662	1.1
165.12755	33.1
167.14250	0.8
169.12216	3.9
171.11620	1.7
175.11206	1.6
179.14268	2.7
181.12257	1.8
187.13333	0.8
189.11111	1.1
189.12653	1.2
193.12199	0.9
193.15906	0.8
197.15314	0.8
206.88777	0.8
207.06552	0.9
207.13741	2.7
221.15285	0.8
228.56860	0.8
231.21130	1.6
241.19618	1.0
249.22075	1.3
259.20544	2.4
277.21634	62.4
278.21317	3.7
295.22687	100.0
296.23083	1.9
306.20514	1.5
324.21793	7.8
337.20276	1.0
351.25452	5.8
369.26422	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2424
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03945	6.8
55.05500	18.2
57.07063	8.2
58.10796	5.1
67.05507	46.0
69.07067	28.9
69.23473	26.2
69.23900	23.8
70.06591	6.4
71.04986	15.1
79.02077	5.1
79.05494	31.9
81.07060	76.1
83.04980	6.3
83.08629	8.3
91.05482	44.3
93.07059	52.9
95.04964	53.3
95.08613	56.0
97.06553	12.8
97.10180	7.5
99.08128	8.0
105.07040	62.0
107.08611	62.7
109.06535	37.7
109.10168	36.9
109.10831	6.0
111.04395	8.7
115.05444	7.6
117.07005	23.6
119.04907	6.8
119.08594	67.2
121.06494	11.6
121.10152	95.8
123.08092	34.7
123.11710	39.6
128.06198	14.2
129.06999	24.6
131.08575	65.2
133.10098	36.3
135.08046	25.4
135.11678	26.7
136.66908	6.2
139.11171	10.7
141.06984	11.4
142.07777	23.5
143.08578	47.9
144.09370	10.8
145.10138	65.2
147.08029	49.5
147.11674	30.1
149.09630	53.9
151.11194	6.2
153.06973	9.9
155.08566	20.7
156.09384	14.3
157.10144	41.3
159.08099	17.2
159.11664	26.6
161.09564	15.8
163.11179	6.2
165.06987	10.1
165.12782	6.1
167.08533	15.4
167.10715	7.1
169.10138	44.5
170.10895	5.9
171.08086	7.1
171.11653	27.2
173.09621	50.1
173.13292	23.8
175.11212	11.5
179.08633	9.1
180.09358	9.8
181.10130	19.2
182.10863	11.0
183.11699	18.0
185.09642	20.5
185.13286	16.3
187.11191	41.5
189.12733	15.1
193.04951	7.4
193.10147	13.4
195.10078	5.9
195.11736	26.0
197.09592	10.5
197.13264	19.5
201.12881	12.1
203.10612	9.4
203.14320	10.1
207.11682	17.8
209.13295	21.7
211.11200	14.2
211.14836	13.8
213.12709	13.5
215.10742	8.1
215.14388	17.9
217.12366	6.5
220.12434	10.7
221.13409	12.2
223.14813	9.7
225.12743	7.9
225.16396	7.1
229.12276	32.1
231.13873	7.0
233.15346	51.3
234.13866	6.6
235.14804	17.8
239.14287	6.4
249.16342	9.2
251.18045	9.2
253.15863	9.8
257.15317	10.0
259.14746	6.0
261.16315	8.1
271.16980	8.1
275.17807	9.6
275.69165	6.3
277.15826	9.2
291.20914	15.3
293.19016	24.4
309.22141	21.4
311.20090	20.3
333.20239	17.9
351.23114	41.5
369.24371	100.0
369.28568	11.7
371.81015	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2425
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.05517	4.9
57.07072	8.5
59.04992	2.4
64.13970	2.1
67.05507	13.3
69.03426	3.0
69.07069	7.0
69.95818	5.3
69.96200	5.1
71.04990	6.8
79.05517	13.2
81.07058	18.1
83.04992	5.4
83.08622	2.7
85.06542	3.8
90.62701	2.1
91.05488	29.5
93.07066	13.1
95.04979	19.1
95.08615	14.2
97.06531	6.8
98.20860	4.4
98.92287	2.2
105.07033	49.6
107.04953	2.5
107.08591	14.0
109.06540	14.4
109.10171	10.6
111.08076	2.8
113.05992	4.2
115.05437	3.0
116.06240	3.5
117.07042	12.6
119.08600	37.3
121.06506	6.1
121.10154	7.8
123.08084	50.8
128.06250	6.0
129.07014	3.9
130.07787	7.8
131.07600	4.1
131.08578	76.2
133.06494	7.1
133.10110	16.5
135.08075	10.1
137.06017	4.5
141.07007	2.9
142.07829	2.5
143.08585	12.8
145.06482	2.6
145.10138	54.5
146.10846	2.2
147.08047	5.9
147.11691	25.7
149.09628	13.0
151.07552	100.0
153.09053	2.7
155.08548	4.2
156.09340	14.7
159.08070	4.3
159.11752	6.0
161.09593	23.3
169.10089	4.2
171.11699	16.4
173.13371	3.8
177.09084	8.0
179.10670	2.4
183.11703	2.9
184.07376	3.4
185.13274	2.3
187.11160	4.8
189.12772	66.5
190.13315	2.2
191.14290	5.4
193.04945	3.9
193.10097	2.7
197.09869	2.2
197.13231	2.8
201.12943	2.4
207.13806	32.1
209.13411	2.8
213.12772	2.8
221.13391	2.7
223.14774	3.9
224.65590	3.7
233.15199	3.8
235.14622	2.3
241.09796	2.3
253.15912	3.0
259.16977	3.9
277.18005	7.3
278.63904	4.5
286.19241	5.8
292.19708	4.5
313.18155	3.3
351.23257	44.9
360.12585	2.3
369.24313	66.6
369.28824	8.2
370.24725	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	369.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01860	1.6
55.05508	2.1
56.05038	1.0
57.03432	5.0
57.07069	2.1
59.04987	0.9
63.02385	1.0
67.05499	2.4
69.03430	2.0
69.07059	4.1
70.06604	5.7
70.91865	2.4
71.05001	5.1
72.08167	4.8
73.02906	1.3
73.08460	1.0
79.05479	3.3
81.07072	4.8
83.01366	1.0
83.05013	1.5
83.08606	1.2
84.04491	2.3
84.08155	4.1
85.02903	3.4
86.09705	2.9
88.32304	0.7
89.03918	10.0
91.05466	2.1
93.07031	2.8
95.04980	0.9
95.08615	6.1
97.02882	1.1
97.06538	3.2
99.08124	1.9
101.06028	5.6
107.04946	3.5
107.08585	3.8
107.09235	0.9
109.10146	6.6
110.06085	1.3
110.07162	1.2
111.85812	0.9
113.09642	2.2
115.07561	3.0
116.21777	0.8
117.03395	15.3
118.87131	0.8
119.04929	1.1
120.08109	1.9
121.02885	1.0
121.08461	1.0
127.03889	1.0
127.08719	1.7
127.11249	1.5
129.10249	1.4
130.04915	1.2
130.06567	0.9
133.02843	0.8
135.04425	20.9
135.11708	6.3
136.07568	3.5
138.05464	1.1
139.03897	0.9
145.01772	1.7
145.02856	22.9
147.04442	4.0
149.05981	1.1
153.12775	6.7
155.08167	0.9
158.06082	0.8
163.03912	100.0
164.04344	1.2
164.07129	4.0
165.06728	0.8
171.13821	13.5
177.05495	13.4
182.08154	3.6
189.14830	4.7
207.06483	2.2
207.13953	1.1
207.15907	16.4
254.15074	1.9
369.08099	4.8
369.15103	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	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05508	2.7
57.03440	1.8
59.05009	2.2
67.05508	3.4
69.03429	19.2
69.07056	2.7
70.56924	4.4
77.83865	1.5
79.05482	9.9
81.03407	3.6
81.07044	2.6
83.04978	6.1
85.02914	14.5
91.03951	2.1
91.05475	4.5
93.07059	1.5
95.08622	2.3
97.02888	5.3
103.05503	3.0
105.07011	8.1
107.08589	7.2
109.06518	3.4
119.08559	8.9
121.06524	11.7
121.10161	5.2
123.08119	7.8
127.03932	4.4
131.08588	2.8
132.09418	1.5
133.06493	100.0
133.10120	4.4
135.08057	5.2
135.11728	1.7
142.37315	1.6
143.08536	2.8
145.04955	2.9
145.10149	2.5
147.08047	4.5
147.11676	4.4
149.09607	3.6
151.07553	3.3
156.09303	1.9
158.10843	3.2
159.08015	3.1
161.09642	2.4
163.11172	17.5
172.96460	1.4
173.13245	4.3
177.05490	2.6
189.12743	37.9
191.14305	52.0
207.13803	47.1
242.33430	1.5
265.74252	1.6
270.90662	1.5
277.47375	1.9
280.10117	1.9
364.35703	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45768	2.1
53.03933	5.8
54.34416	2.3
55.01869	3.4
55.05504	5.5
57.03431	2.8
61.02917	5.1
65.25784	2.5
67.05510	4.5
69.03437	22.8
70.06606	3.3
70.95811	5.4
71.04985	3.0
72.08161	3.6
73.02898	5.4
75.26660	2.3
79.05499	8.6
81.03399	7.8
81.07048	7.4
83.04972	10.1
85.02915	32.6
85.06524	2.5
86.09695	8.5
87.04459	2.5
91.05472	9.9
93.07027	6.6
95.04974	5.2
95.08597	6.4
97.02902	17.1
99.04444	4.0
103.05438	5.2
105.07036	18.5
107.08602	18.0
109.02879	8.7
109.06510	5.9
109.10150	3.7
114.82819	2.5
117.03369	2.8
119.04952	6.2
119.08579	19.0
120.08066	7.4
121.06498	7.0
121.10120	9.1
122.18332	2.2
122.86233	2.2
123.08052	12.2
127.03911	10.9
129.07007	3.5
131.08557	6.2
133.06497	60.7
133.10127	22.0
135.08055	9.4
137.09616	16.8
143.08536	4.5
145.02872	4.4
145.04938	7.8
145.10147	7.5
147.04398	10.8
147.08044	8.5
147.11690	11.4
149.09636	39.9
151.07574	3.0
151.11194	57.3
156.09315	4.0
156.69943	2.4
159.08044	13.6
159.11711	3.3
160.08801	3.2
161.09645	6.8
161.13275	13.6
163.11195	30.1
171.11703	9.6
174.10396	27.9
175.03938	3.4
177.05463	5.7
179.10754	3.1
189.12758	96.3
189.14470	5.0
190.13095	3.0
191.12682	4.6
191.14323	57.9
207.13818	100.0
213.67200	2.5
250.30556	2.5
261.94778	2.3
369.15091	6.1
369.19351	6.4
379.77783	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35204	0.4
53.03953	0.4
55.01858	0.4
55.05519	0.6
56.05058	0.5
65.03957	0.4
67.05505	1.3
69.03437	0.4
70.06596	2.6
70.09713	0.8
70.10118	0.7
72.08139	0.6
77.03944	0.7
79.05492	0.6
81.03432	0.4
81.07059	0.5
82.06583	3.1
83.04933	0.4
84.04523	0.7
84.08150	1.5
85.02879	0.5
86.09695	1.6
87.82182	0.4
88.71440	0.3
89.03920	1.6
91.05490	1.3
93.07063	1.2
95.01349	0.3
95.04972	0.3
95.08601	0.6
98.06072	0.9
105.03367	0.4
105.06991	0.5
107.04982	0.4
108.08125	0.4
109.10154	0.4
110.06056	7.8
110.06846	0.6
110.07145	0.6
117.03381	2.8
117.37980	0.3
119.04939	0.5
120.08089	1.0
122.06028	1.0
126.05531	4.8
127.91021	0.3
128.07051	0.6
135.04442	3.5
136.07587	57.6
137.07877	0.6
140.07068	2.4
145.02864	4.8
147.04428	0.8
149.05988	0.6
152.07059	0.7
163.03918	14.3
164.07074	100.0
165.07414	1.0
168.87230	0.3
171.13840	0.9
177.05482	4.6
179.03369	0.4
182.08138	84.9
183.08467	1.1
198.09187	1.2
207.06502	0.8
241.09608	0.5
259.10718	1.4
301.11932	0.5
325.74622	0.4
333.14420	3.4
351.15497	0.9
369.08057	1.0
369.15466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.05513	1.0
55.61769	0.4
56.05034	0.4
63.97816	0.4
65.11225	0.3
65.48431	0.4
67.04227	0.4
67.05514	2.1
69.89444	1.9
70.06596	4.4
72.08169	1.6
79.05498	1.2
81.07053	0.4
82.06580	3.6
83.01369	0.4
83.04967	0.6
84.04520	1.2
84.08144	2.3
85.02941	0.3
86.09704	2.3
89.03948	1.3
91.05484	1.6
93.07034	0.9
95.04949	0.4
95.08613	0.5
96.04513	0.3
97.02913	0.6
98.06075	1.2
98.09688	1.1
98.20841	0.6
99.04452	0.5
110.06049	7.7
110.07179	2.1
117.03375	1.9
119.04946	0.5
120.08126	0.9
122.06041	0.9
126.05524	4.7
127.03875	0.6
128.07048	0.9
128.98479	0.4
129.10297	0.7
135.04439	3.0
135.11682	0.4
136.07582	54.5
137.07944	0.5
138.05479	0.7
139.05107	0.3
140.07036	0.8
140.26715	0.3
145.02876	3.4
147.04382	0.7
149.05971	0.4
152.07118	0.6
163.03914	13.2
163.05270	0.8
164.07071	100.0
165.07413	0.9
173.09198	0.8
177.05423	3.4
182.08134	85.6
183.08557	0.7
196.09705	2.6
207.06398	0.6
214.08693	0.4
221.69870	0.4
245.08870	0.5
259.10815	0.9
301.11981	0.5
312.45883	0.4
319.12631	0.6
337.13293	0.4
369.07971	0.6
369.15533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35249	0.3
53.03952	0.9
55.01870	0.5
57.03446	0.5
61.02930	0.4
61.62904	0.3
63.02396	0.8
65.03963	0.5
66.99561	0.3
67.05520	0.3
69.03437	1.0
69.07067	0.5
70.06598	0.8
70.63781	0.9
71.04999	0.8
72.08156	0.3
73.02901	0.3
78.04708	0.4
79.05495	1.1
81.03430	1.3
81.07054	0.4
84.04553	0.3
84.08165	0.6
85.02903	1.9
86.09721	0.6
89.03921	15.8
91.05502	1.4
93.07047	0.6
95.04963	0.7
95.08620	0.3
97.02898	1.2
97.06526	0.3
99.04472	2.7
103.05462	0.5
105.07025	1.1
106.04207	0.3
107.04970	2.3
107.08592	0.5
109.02890	3.9
109.06512	0.5
111.04453	0.4
117.03384	37.0
119.04963	0.7
119.08594	0.8
120.08099	0.4
121.02844	0.4
121.06501	0.4
121.10088	0.3
127.03918	5.4
127.25957	0.3
131.08607	0.4
133.10112	0.3
134.03633	1.7
135.04428	17.0
136.07565	0.3
145.02852	69.1
146.03189	0.5
147.04379	1.5
147.08070	0.6
149.05997	8.6
151.07529	0.5
156.09291	0.3
158.06038	0.4
161.09656	0.3
163.03912	75.6
163.11185	1.3
164.04254	0.4
171.11737	0.5
175.03926	0.6
177.05478	100.0
178.05888	0.7
186.05490	1.5
189.03893	0.4
189.12770	2.3
191.07050	0.5
191.14291	0.9
207.06563	0.8
207.13844	4.0
223.04228	0.3
349.46429	0.3
351.07071	1.3
361.53204	0.3
369.15250	1.1
369.19244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
55.01874	8.7
55.05511	10.5
57.03432	14.1
57.07079	6.2
59.04967	3.0
60.80724	3.5
67.05511	23.4
69.07056	8.5
70.06539	3.4
71.53387	3.5
79.05492	19.4
81.07060	38.5
81.56230	3.2
83.04987	15.7
83.08626	8.3
85.02917	4.4
85.06520	13.3
91.05482	18.0
93.07065	17.8
93.66367	3.6
94.07402	5.3
95.04974	28.3
95.08590	14.9
96.05296	4.0
97.06529	4.0
97.10175	4.0
105.07027	17.4
107.04989	4.0
107.08584	15.4
109.06545	27.8
109.10175	8.6
111.04443	13.3
113.06037	41.6
117.07030	8.7
119.08573	24.3
121.06519	6.5
121.10143	11.2
123.08062	8.4
125.09641	5.7
129.06938	5.9
131.08578	19.0
133.06496	3.6
133.10170	8.6
135.08075	10.8
135.11754	6.0
143.08548	5.8
145.10130	21.6
147.08057	8.7
147.11697	10.6
149.09627	8.8
150.09947	5.3
151.07530	18.1
153.12804	6.7
159.11736	4.1
161.09622	8.8
163.11206	12.8
181.12279	7.1
189.12758	8.0
191.10663	11.0
207.13812	7.6
209.11725	4.3
223.13094	3.9
227.12772	15.8
273.18588	26.8
276.20364	11.4
291.19565	100.0
305.21182	24.1
323.21948	5.6
338.57214	3.9
351.23193	7.2
368.25189	8.4
369.24353	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	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10363	8.9
55.05505	25.4
57.07064	12.0
60.08152	9.8
67.05498	35.3
69.07054	23.1
69.18359	86.1
72.34637	8.0
79.05492	18.7
81.07056	31.8
83.04967	18.5
83.08627	20.5
84.08923	9.0
91.05478	100.0
93.07041	18.2
95.04944	11.1
95.08620	23.7
98.21520	20.8
99.04405	8.7
105.07013	14.1
107.08596	23.5
108.08153	14.4
108.08911	12.2
109.10184	12.1
111.04489	11.0
112.11254	48.4
119.08588	17.1
125.34527	8.1
129.51022	8.2
130.12253	10.6
155.19884	9.1
190.71144	9.6
191.52531	8.9
206.19499	8.6
276.20395	21.1
277.08627	9.2
283.26196	21.5
312.32593	32.0
368.25177	18.2
368.30331	15.0
368.34842	69.8
368.39084	75.7
368.42773	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	368.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
57.03438	0.6
58.06591	0.3
61.02930	0.9
69.03428	2.0
70.06570	0.3
71.04978	0.4
71.51364	0.4
73.02925	0.3
81.03429	1.0
81.77357	0.2
84.04491	0.4
85.02910	5.9
85.06737	0.2
87.04467	0.4
89.03948	0.3
91.03923	0.3
97.02888	1.9
99.04462	0.5
109.02901	0.8
120.08138	1.2
121.08429	0.4
127.03891	1.2
132.04463	6.2
135.04413	0.3
136.07593	0.9
145.04970	1.4
146.06032	0.3
160.03976	0.7
163.03877	1.0
166.08641	0.6
178.05003	63.1
179.05400	0.8
206.04495	100.0
207.04791	1.1
251.10300	0.8
261.79080	0.2
368.09613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	(3R)-3-hydroxy-12'-apo-beta-carotenal
Peak:m/z	Relative Intensity
55.05511	23.5
57.03415	6.5
59.04975	4.6
67.05504	37.1
69.03420	12.6
69.07068	33.8
71.05008	8.6
71.52023	6.6
79.05486	26.0
81.07054	55.2
82.83156	4.6
83.04974	9.1
83.08624	14.1
83.47718	4.1
84.96862	5.0
91.05483	40.0
93.06484	6.6
93.07046	77.0
95.04960	22.2
95.08614	43.4
97.06519	13.6
105.07030	73.3
107.08621	36.0
109.06543	22.5
109.10147	23.3
111.08093	8.9
114.49538	4.7
119.08581	45.4
121.06503	14.8
121.10143	43.4
123.08054	14.7
123.11726	4.8
125.09568	4.6
129.07021	8.3
131.08571	24.5
133.10139	26.1
135.08076	46.8
135.11670	7.7
137.09630	6.6
142.07800	15.2
143.08562	16.7
145.10115	32.6
147.08047	8.4
147.11687	24.3
149.09613	30.3
149.13315	6.8
151.11147	5.4
155.08540	6.7
156.09357	10.1
157.10150	38.9
159.11765	11.8
161.09631	18.9
161.13208	7.9
163.11211	12.1
163.14804	7.0
171.11691	8.6
173.09671	8.1
173.13199	7.0
175.11162	20.3
175.14873	17.2
181.12315	4.3
183.11731	9.1
185.13220	16.8
191.14326	19.9
193.15921	10.3
197.13234	6.1
199.15038	5.5
201.12755	6.8
203.14333	31.2
205.15883	100.0
209.13136	5.1
213.12756	5.1
217.15858	11.2
218.16646	22.5
227.14474	5.6
270.19705	6.5
271.20483	8.2
275.20026	13.7
283.20749	8.3
287.20078	10.9
349.25089	11.4
367.26392	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.2
55.93272	7.0
55.93531	100.0
56.58417	4.1
56.94305	5.3
66.60260	3.7
69.03427	5.1
69.14465	3.6
70.95861	3.6
71.50682	3.8
71.93013	42.8
72.08157	47.4
72.93793	75.4
73.44744	3.8
73.94559	11.6
74.82508	3.7
74.95354	7.5
81.03422	16.6
85.02916	6.3
86.09716	6.4
89.94051	33.7
90.94839	54.8
102.94827	16.1
105.93526	11.4
107.95058	27.5
115.95615	7.4
116.96350	7.5
118.08677	35.2
118.94308	9.4
120.95872	6.9
124.82535	3.9
125.96127	6.9
126.94720	4.5
128.96355	13.2
130.08650	3.9
131.95058	37.4
132.95847	15.5
133.96628	9.6
135.94569	5.5
136.95343	5.4
141.97179	4.5
142.94284	8.2
143.95094	7.0
144.95850	76.4
145.96642	5.7
146.97406	9.7
149.96127	42.2
150.96884	14.4
151.97699	10.0
156.95877	16.9
157.96642	23.2
158.97377	6.9
159.94553	8.7
159.98228	7.2
160.95253	20.4
161.96129	89.6
162.96901	26.3
163.97728	5.4
168.95818	6.4
169.96638	11.6
173.96133	25.7
174.96918	20.4
175.97688	21.6
177.95625	52.8
177.97087	6.9
178.05127	5.7
178.96381	4.6
179.97131	8.4
181.96642	16.3
183.94557	7.8
183.98178	5.5
185.96121	16.1
186.96945	11.8
187.97675	49.2
189.95619	4.5
189.99178	5.9
190.96336	5.2
191.97217	12.7
199.97697	48.2
201.95563	30.2
203.97203	13.6
204.97797	5.1
205.95284	8.8
205.98715	5.7
206.04523	16.0
213.93784	5.7
213.95592	30.5
213.99260	9.2
215.97118	25.4
217.98695	19.7
219.96663	11.6
225.99200	4.6
227.97229	10.5
231.96634	27.8
233.98233	27.5
235.99811	11.3
239.97171	13.5
247.96107	28.7
251.97148	7.2
254.00798	3.9
257.98245	5.3
259.96228	16.3
262.01364	13.5
275.95615	13.8
278.00739	9.0
289.97375	6.5
290.00891	6.4
306.00400	22.5
324.01416	66.2
368.03967	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.05518	24.2
55.07477	2.9
55.12591	3.1
57.07066	10.4
59.90180	3.8
67.05508	43.2
69.03426	10.1
69.07087	22.8
69.20436	11.5
69.20855	23.8
71.04995	6.9
74.42465	3.8
79.05503	38.6
81.07057	50.2
83.04996	7.1
83.08633	14.2
85.06535	6.2
91.05489	58.2
93.07055	80.2
95.04974	35.6
95.08614	76.0
97.06552	16.0
98.21516	9.9
103.05499	4.5
105.07040	86.6
107.08598	70.0
109.06515	18.0
109.10159	45.9
111.08093	4.3
115.05516	4.1
117.06997	23.0
119.08591	100.0
121.06528	12.3
121.10148	50.8
123.08057	6.9
123.11726	14.8
125.09664	4.4
128.06233	12.3
129.07025	17.5
130.07785	6.9
131.08583	50.4
133.10153	53.5
135.08057	19.1
135.11710	24.5
137.09633	5.9
142.07788	25.3
143.08582	37.8
144.09335	17.4
145.06581	4.1
145.10136	73.9
146.07315	5.8
147.08060	11.1
147.11719	26.1
149.09625	16.9
155.08640	19.5
156.09375	10.9
157.10132	51.8
158.10936	9.7
159.08093	5.9
159.11682	41.3
161.09633	60.2
161.13246	11.3
163.11177	5.9
167.08588	7.1
169.10098	19.7
170.10881	8.3
171.11731	27.5
173.09671	7.4
173.13269	25.1
175.11189	10.4
175.14862	24.0
178.55070	3.6
179.08521	7.6
181.10133	11.9
182.10983	4.8
183.11646	26.9
184.12462	5.3
185.09680	6.1
185.13303	24.1
187.14850	12.2
189.12679	6.9
194.10861	5.8
195.11743	15.3
196.12436	7.2
197.13293	19.1
199.11287	4.2
199.14862	15.3
201.12787	6.5
201.16330	8.8
209.13318	21.6
211.14830	8.7
213.12715	6.0
213.16431	5.4
215.14378	5.9
221.13185	4.8
223.14862	8.7
225.16452	4.7
227.14313	27.3
227.18033	4.2
239.17937	8.3
243.82857	4.6
255.17342	4.9
257.19141	7.8
265.19556	9.3
267.17407	5.4
269.18787	5.9
293.18900	4.4
295.95728	3.9
305.08502	4.6
349.25192	13.6
367.26505	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01862	3.1
55.05503	19.7
57.03427	3.5
57.07061	7.9
59.04987	3.9
65.03940	4.4
65.06591	2.4
67.05505	44.9
69.03419	8.4
69.07071	24.9
71.04984	7.7
71.38786	4.4
73.88171	2.0
79.05067	3.2
79.05496	37.6
81.07066	55.2
83.04968	5.1
83.08620	9.9
85.06537	4.7
85.12386	2.5
91.05482	58.4
93.07046	84.3
95.04967	37.9
95.08609	61.8
97.06544	15.8
97.10152	3.1
103.05468	4.5
105.07036	95.9
107.04950	5.6
107.08592	65.5
109.06510	16.0
109.09484	2.8
109.10166	38.7
111.08102	5.1
115.05443	6.1
116.06241	3.2
117.07011	18.2
119.06062	2.8
119.08588	100.0
121.06513	8.0
121.09331	3.9
121.10149	51.9
123.08103	6.0
123.11719	16.9
128.06207	12.0
128.67749	2.1
129.07011	20.4
129.58861	2.0
130.07806	7.9
131.08569	61.4
133.06506	2.3
133.10141	56.0
135.08047	20.5
135.11685	22.1
135.98053	2.2
137.09642	6.3
139.11215	2.4
141.07014	5.4
142.07791	14.9
143.08571	33.9
144.09322	12.9
145.06522	3.8
145.10132	69.1
146.07251	6.4
147.08012	10.9
147.11711	21.6
149.09618	17.0
149.13243	5.8
152.06029	1.9
153.06920	3.0
155.08546	12.1
156.09364	17.5
157.10136	53.3
158.10887	7.7
159.08020	8.0
159.11708	40.9
161.09631	50.7
161.13246	11.9
163.11174	6.4
167.08575	7.4
168.09401	6.2
169.10112	20.5
170.10944	6.5
171.07899	2.8
171.11690	30.4
172.12439	4.0
172.18156	2.1
173.09633	9.2
173.13258	30.0
175.11212	11.2
175.14838	24.0
179.08580	7.7
180.09314	5.3
181.10115	10.0
182.10922	6.2
183.11684	24.8
184.12430	4.7
185.09639	3.7
185.13268	15.0
186.10303	3.0
187.11198	4.5
187.14847	15.3
189.12714	4.7
193.10176	4.1
194.10945	10.6
195.11723	12.9
196.12512	3.3
197.13275	21.8
198.13965	2.6
199.11206	4.1
199.14857	15.1
201.12733	6.0
201.16397	7.7
205.16055	2.5
207.11681	6.2
209.13263	24.8
211.14835	11.0
212.11906	3.2
213.12740	6.8
213.16356	7.2
215.14326	4.1
217.15915	3.0
219.11513	2.5
223.14906	3.9
224.15549	2.6
225.16487	4.2
227.14316	24.0
229.15968	2.7
235.14827	3.7
237.16591	2.9
239.17908	10.5
240.18674	2.6
241.19582	3.1
249.16345	4.0
255.17429	8.0
257.19043	5.3
261.16211	2.8
265.19525	7.3
267.17392	4.5
269.19083	3.7
281.18726	2.4
283.20612	3.6
293.19083	3.1
349.25381	11.1
367.22101	2.5
367.26492	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	4.1
53.03936	8.3
55.01865	4.9
55.05321	2.1
55.05522	23.4
57.07067	7.8
58.03202	2.2
59.04998	3.1
65.03927	5.5
67.05506	42.9
69.03429	9.3
69.07073	26.2
71.04989	9.0
77.98392	2.5
78.70635	2.4
79.05486	36.5
81.07062	61.8
83.04972	7.7
83.08617	7.4
85.06525	6.2
88.83510	2.6
91.05489	51.4
93.07048	73.2
95.04979	27.3
95.08612	57.4
97.06529	18.9
105.07036	91.1
107.04937	2.6
107.08598	64.4
109.06526	15.4
109.10155	45.6
111.08047	7.0
115.05471	5.5
117.07037	20.9
119.08588	100.0
121.06497	12.1
121.10142	47.3
121.20028	2.7
123.08102	5.1
123.11686	13.1
128.06198	13.9
129.07022	15.0
130.07794	7.1
131.08585	60.2
133.10141	65.2
135.08090	20.8
135.11699	22.5
137.09621	7.1
137.13245	3.1
141.06972	7.3
142.07820	18.5
143.08578	38.9
144.09322	10.6
145.10132	58.7
145.11281	3.3
146.07301	6.6
146.10805	2.9
147.08070	9.0
147.11693	30.6
149.09607	20.3
149.13274	7.0
155.08574	12.6
156.09348	9.5
157.10135	47.6
158.10904	5.0
159.08127	5.9
159.11705	40.6
161.09622	50.3
161.13232	12.5
163.11171	9.6
165.06924	3.0
167.08586	9.7
168.09416	5.0
169.10123	19.1
170.10886	8.3
171.11708	25.8
173.09631	5.8
173.13277	32.4
175.11218	7.9
175.14812	23.9
179.08528	7.2
180.09341	3.0
181.10124	7.5
182.10851	4.6
182.28946	2.5
183.11707	23.4
184.12344	3.9
185.09653	4.0
185.13290	15.0
187.11116	5.4
187.14812	13.6
189.12762	2.6
189.16389	3.1
193.10040	5.1
194.10939	7.4
195.11604	12.5
197.13286	18.0
198.93257	2.9
199.11307	2.6
199.14835	12.2
201.12715	4.0
201.16417	5.9
201.28069	3.1
203.14264	2.6
205.15936	3.8
207.11729	4.8
209.13213	23.9
210.13982	3.0
211.14835	7.6
213.12671	3.8
213.16313	6.8
215.14302	4.5
217.15817	3.1
222.13948	3.1
223.14888	3.8
225.12671	3.6
225.16344	5.0
227.14313	18.0
227.17847	3.2
235.14819	3.2
237.16383	4.4
239.17938	9.9
249.16338	4.3
251.17944	4.9
253.19618	2.7
255.17415	4.9
257.19016	5.2
265.19516	11.4
269.18842	4.0
275.20013	7.9
349.25177	10.6
367.26236	17.6
367.30145	3.1
373.33914	3.1
384.20175	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01879	25.0
55.05518	64.0
55.55689	2.3
57.03444	26.2
57.07069	4.9
59.04965	4.8
67.05510	56.0
69.03448	5.6
69.07074	37.8
70.02941	11.0
71.04993	9.7
79.05495	54.8
81.03429	8.2
81.07064	47.7
83.04984	48.0
83.08623	38.7
84.21650	2.7
85.02918	12.2
85.06528	3.3
91.05489	26.9
93.07050	63.1
95.04980	76.2
95.08611	27.6
97.06544	10.2
97.10174	21.4
99.04464	23.1
102.71700	2.9
105.07040	29.9
107.04978	12.0
107.08601	67.9
109.06528	11.8
109.10168	24.4
111.04456	54.4
111.05213	3.5
111.08112	16.0
117.06336	2.6
117.07027	15.4
119.08588	25.5
121.06513	10.8
121.10154	48.4
123.08053	7.3
123.11741	5.8
125.05981	3.9
125.09645	24.7
129.06982	6.6
129.10245	6.5
131.08577	21.3
133.10147	22.8
135.08084	9.2
135.11696	11.7
139.11162	6.5
142.11876	2.8
145.10127	23.1
147.08081	6.5
147.11757	8.9
149.08455	3.0
149.09633	51.5
149.13300	3.1
153.09103	3.5
153.12735	6.5
157.10185	4.5
159.11702	13.5
161.09669	4.2
161.13303	4.2
163.11194	42.9
165.12715	4.9
167.10695	3.3
171.11676	4.0
173.09586	4.1
173.11775	4.9
173.13206	5.4
175.11299	3.5
177.12801	5.7
179.10703	3.4
181.12234	8.0
187.11279	5.4
189.11234	21.3
191.10670	6.8
193.12282	3.7
205.12283	11.2
211.13232	5.6
223.13284	94.1
239.18013	9.5
257.18988	16.5
275.20065	100.0
293.21133	50.5
305.48688	2.9
330.57239	2.5
367.24823	85.9
367.29474	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.01874	22.9
55.05512	46.1
57.03434	21.3
57.07083	4.0
57.44957	3.1
65.03944	5.2
66.45908	2.9
66.68369	3.5
67.05507	64.8
69.03430	8.1
69.07076	38.2
70.57513	11.1
71.04978	10.8
72.03505	3.1
79.05497	62.6
81.03420	11.9
81.07063	64.9
83.04990	41.0
83.08620	39.3
85.02900	13.3
85.06547	6.6
91.05480	38.3
93.07048	53.2
95.04968	67.1
95.08606	39.3
97.06522	15.1
97.10173	11.6
99.04475	23.6
105.07029	38.2
107.04944	11.4
107.08599	59.8
109.06516	12.9
109.10167	20.9
111.04445	47.8
111.08106	15.6
117.07011	14.9
119.08585	34.6
121.06490	10.6
121.10147	33.6
123.08066	11.9
123.11716	8.2
125.09624	19.8
131.08591	23.1
133.10130	18.4
135.08044	9.2
135.11685	16.6
137.09558	4.1
139.11189	5.5
145.10147	29.5
147.08089	6.0
147.11679	27.3
149.09642	36.5
153.09120	3.4
153.12721	4.9
156.82416	3.8
157.10175	5.8
159.11726	10.5
161.13194	7.1
163.11203	39.1
171.10164	3.5
171.11696	5.8
173.13382	3.6
177.12804	4.4
178.96992	3.0
180.67691	4.1
181.12196	5.8
187.11102	4.0
189.11189	23.2
193.12190	4.2
205.12213	10.2
211.13229	5.3
223.13293	100.0
237.14799	6.0
239.17923	4.8
257.18970	13.8
275.20081	92.1
293.21127	55.3
349.23529	4.9
367.24869	85.2
367.33850	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.5
55.01871	6.1
55.05513	23.6
57.03444	19.4
57.07069	2.5
65.03963	2.3
67.05508	67.3
69.03413	2.2
69.06727	3.3
69.07071	33.6
71.04984	3.5
71.52709	2.9
72.35634	1.9
79.05498	44.4
81.03419	2.3
81.07059	100.0
83.04977	8.5
83.08634	17.8
85.06544	4.8
88.45164	2.1
89.25102	1.8
91.05486	38.7
93.07050	43.1
95.04977	13.6
95.08611	47.3
97.06541	12.2
97.10181	3.6
99.08104	2.8
105.07031	42.6
105.07690	3.0
107.04964	6.6
107.08591	29.6
109.06518	12.8
109.10171	22.8
111.08096	7.3
117.07010	9.4
119.08584	31.6
121.06519	3.9
121.10143	23.1
123.08095	7.9
123.11716	12.2
125.09647	4.9
129.06998	3.2
131.08575	18.7
133.10139	24.5
135.08075	7.9
135.11707	9.8
137.09622	7.8
137.13304	2.9
143.08543	4.8
145.10152	17.2
147.08105	2.5
147.11702	27.1
149.09637	12.1
149.13310	7.2
151.11205	4.5
155.08632	2.4
157.10168	7.4
159.11678	14.2
161.09618	4.0
161.13275	5.8
163.11188	8.0
165.12770	8.7
169.10101	2.5
171.11710	7.0
173.09598	2.1
173.13263	6.6
175.11201	4.6
177.12793	3.6
183.11710	4.0
185.13290	3.0
187.11281	2.4
189.11232	2.5
191.14314	4.2
193.12265	2.5
197.13280	4.7
205.15942	4.0
223.13283	3.5
229.19511	3.9
239.18028	2.7
247.20618	6.4
257.18933	10.3
275.20081	55.1
293.21130	9.7
349.23859	8.5
367.24835	52.1
367.29822	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01870	26.8
55.05516	59.2
57.03439	25.3
57.07082	3.2
59.04993	9.9
65.03943	3.7
67.05511	70.3
68.61195	2.2
69.03418	5.1
69.07073	40.0
70.70030	5.1
71.04981	10.4
74.30516	2.4
79.05495	63.2
81.03405	7.3
81.07056	53.8
83.04980	49.4
83.08622	47.2
84.08145	42.9
85.02906	15.4
85.06547	3.0
91.05478	39.1
93.07048	61.2
95.04967	84.1
95.08605	35.1
97.02993	2.1
97.06514	11.7
97.10183	17.5
99.04461	26.3
102.81720	2.0
105.07029	32.5
107.04963	16.1
107.08600	69.3
109.06530	11.7
109.10162	22.1
111.04449	61.2
111.08066	17.7
117.07040	14.6
119.08578	34.4
121.06520	11.7
121.10152	40.4
123.08076	10.0
123.11698	4.5
125.06005	2.9
125.09632	24.3
129.10245	59.1
130.57874	2.3
131.08571	24.2
133.10136	18.1
135.08038	6.5
135.11694	15.5
137.09634	4.3
139.07541	2.7
139.11125	4.5
143.08591	3.4
145.10130	34.9
147.08040	4.2
147.11728	13.1
149.09630	41.8
149.13255	3.5
151.11272	3.3
153.09052	6.3
153.12692	10.9
157.10139	6.2
157.23177	2.3
159.11684	14.4
161.09616	3.2
161.13252	7.5
163.11192	44.7
165.12845	3.5
169.10150	3.7
171.11699	3.1
173.09674	3.7
173.11807	4.1
173.13203	5.3
175.11215	4.5
177.12796	6.3
181.12236	12.0
187.11220	5.9
189.11235	22.1
189.12799	3.9
191.10620	3.6
193.12337	4.9
205.12265	10.7
207.13708	3.5
211.13249	5.1
223.13313	100.0
227.12701	3.0
229.19589	4.4
239.17975	4.8
247.20531	2.7
257.19016	13.3
266.62283	2.6
275.20068	96.7
276.20508	2.4
293.21121	47.9
349.23889	3.0
349.32129	3.0
367.24789	67.7
367.33566	3.3
368.25186	2.7
368.42560	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01880	19.7
55.05280	3.3
55.05518	52.3
56.67494	2.1
57.03446	20.3
57.07059	2.7
59.04995	2.5
65.03937	4.6
67.05183	3.6
67.05511	53.5
69.06732	3.0
69.07073	37.8
71.05003	11.2
72.77596	2.1
73.89066	2.0
79.05503	52.0
81.03419	5.4
81.07063	47.3
83.04994	37.1
83.08626	36.1
85.02921	12.0
85.06528	3.4
89.41286	2.1
91.05496	27.1
93.07053	52.6
95.04974	69.3
95.08608	31.7
97.06539	14.9
97.10162	17.6
98.21561	3.9
99.04470	18.6
105.07044	34.6
107.04944	11.8
107.08597	63.3
109.06527	12.6
109.10168	18.5
111.03716	4.0
111.04452	54.9
111.08073	12.4
115.36588	2.1
117.07022	12.9
119.08586	19.8
121.06503	8.3
121.10155	33.5
123.08099	7.9
123.11657	3.3
125.05965	3.4
125.09637	22.8
128.76759	2.4
129.07007	5.6
131.08574	22.6
133.10158	16.1
135.08063	7.8
135.11691	16.9
137.09648	4.6
139.11189	7.1
140.98477	2.7
143.08522	4.9
145.10136	25.8
147.07959	4.6
147.11700	10.8
149.09637	45.5
149.13281	4.5
153.09106	2.6
153.12727	9.0
155.08525	2.6
157.10129	4.5
159.11708	13.2
161.13258	3.6
163.11203	33.2
165.12830	2.7
167.10716	4.2
169.10165	5.5
171.10202	3.4
171.11655	3.4
173.09671	3.6
173.11708	2.8
173.13220	6.8
175.11176	5.0
175.14766	2.5
177.12730	4.4
181.12263	6.3
187.11227	5.2
189.11211	18.3
191.10683	3.0
205.12259	11.4
207.89418	2.7
211.13281	3.9
223.13295	100.0
227.12811	3.0
227.83713	2.3
229.19452	3.7
237.14816	4.1
239.18011	6.0
247.20461	4.2
257.19046	13.6
275.20099	99.6
293.21100	53.9
349.23801	4.4
367.24832	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65831	4.5
51.88765	4.0
55.01858	18.7
55.05508	57.5
57.03441	29.3
59.04989	5.9
67.05505	81.9
69.07075	48.8
70.07361	3.9
70.96547	10.4
71.04977	10.4
76.23022	4.2
79.05492	54.4
81.03396	5.8
81.07064	76.3
83.04967	40.0
83.08616	39.1
85.02895	15.5
85.06500	5.6
91.05467	49.8
93.07047	62.8
95.04978	61.8
95.08603	36.3
97.06528	14.3
97.10168	22.5
99.04451	15.9
105.07031	44.0
107.04966	10.0
107.08594	64.4
109.06517	15.5
109.10128	25.8
111.04438	48.4
111.08065	18.1
117.07002	16.2
119.08588	28.5
121.06475	8.9
121.10146	43.3
122.98455	4.5
123.08056	11.9
123.11709	5.7
125.09628	18.6
129.06958	5.8
131.08566	22.9
133.10155	23.0
135.08040	12.3
135.11673	16.7
139.11154	5.3
143.08560	7.0
145.10124	27.2
147.08073	7.9
147.11694	14.8
149.09616	53.0
149.13264	7.3
153.12744	11.5
157.10117	11.4
159.11697	15.1
161.13312	5.5
163.11147	37.0
169.10036	4.8
171.11679	8.3
173.09579	4.9
173.13318	9.9
176.53658	4.5
177.12811	9.3
181.12190	8.3
183.11731	6.2
183.78610	4.3
189.11191	17.9
189.12708	4.9
191.10611	5.2
205.12265	10.9
223.13274	92.7
229.19453	6.9
239.17978	5.5
257.19012	13.6
275.20062	100.0
284.33270	4.8
293.21054	47.7
367.24701	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	367.2483
Annotation	Betaenone A
Peak:m/z	Relative Intensity
51.02415	1.8
53.03931	5.7
55.01875	19.0
55.05268	3.0
55.05514	38.0
57.03436	13.3
65.03944	3.1
66.68405	1.6
67.05510	80.7
69.03430	7.0
69.07075	33.7
70.68939	5.8
71.04993	3.7
75.85203	1.6
77.82132	1.7
79.05499	56.4
81.03418	4.4
81.07061	98.6
83.04977	10.5
83.08614	18.4
85.06545	5.6
91.05491	45.4
91.14966	1.6
93.06532	1.3
93.07051	43.2
95.04969	12.8
95.08617	51.6
97.06532	23.0
97.10183	9.8
99.08102	2.3
104.92238	2.1
105.07034	46.0
107.04961	21.0
107.08599	46.1
109.06524	16.5
109.10165	28.1
109.43563	1.6
110.93467	1.9
111.08078	5.3
115.05450	2.1
117.07029	13.2
119.08591	37.9
121.06491	4.2
121.10148	21.1
123.08090	10.3
123.11738	9.9
125.09650	13.3
129.07014	5.8
131.08571	20.9
131.61481	1.9
133.10132	27.0
135.08046	8.3
135.11693	12.2
137.09610	7.8
139.11182	3.9
143.08557	5.7
145.10133	22.3
147.08086	2.8
147.11697	25.8
149.09642	22.6
149.13243	8.5
151.11198	5.3
155.08514	2.6
157.10141	5.9
159.11768	10.9
159.12843	2.2
161.13260	6.9
163.11203	14.9
163.14854	2.7
165.12791	7.1
169.10155	3.6
171.10185	4.2
171.11708	4.7
173.11823	3.3
173.13266	6.7
175.11243	3.0
177.12766	3.5
181.12169	2.3
183.11794	4.8
185.13289	3.6
187.11263	2.2
187.14853	2.6
189.11160	9.0
191.14255	2.8
193.12149	2.3
195.13821	2.1
197.13232	3.7
201.12804	2.1
207.13814	2.2
219.13853	1.8
227.12796	5.6
229.19566	4.7
239.18031	5.7
247.20590	5.6
257.19046	18.7
275.20074	100.0
280.53455	1.9
293.21167	9.3
349.23743	45.3
367.16776	2.2
367.20859	5.3
367.24820	60.9
368.25400	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01883	9.8
55.05519	26.3
57.03443	18.1
57.07059	2.0
59.04993	2.4
65.03947	4.3
67.05511	76.9
69.03427	6.7
69.06739	2.9
69.07077	38.2
70.06606	2.0
71.04989	5.6
71.52769	1.7
79.05502	44.7
81.03403	1.6
81.07063	100.0
83.04977	8.1
83.08625	16.5
83.89327	1.8
85.06544	5.2
91.05493	40.9
93.07050	42.5
95.04993	8.3
95.08614	44.1
97.06533	19.0
97.10186	9.0
99.08094	2.4
103.05489	2.2
105.07045	37.1
107.04978	10.9
107.05602	1.9
107.08601	33.9
109.06515	9.3
109.10155	25.2
111.08080	5.6
113.09663	2.1
115.05482	1.7
115.42813	1.5
117.07019	10.3
119.08588	30.7
121.06503	4.2
121.10165	19.0
123.08064	8.3
123.11718	10.6
125.09669	9.2
129.07014	5.3
130.07945	1.5
131.08582	20.1
133.09155	1.8
133.10147	28.7
135.08092	6.5
135.11719	10.5
137.06003	3.4
137.09613	6.7
139.11122	1.7
145.06490	1.7
145.10112	19.5
147.04413	2.1
147.08028	2.9
147.11708	22.6
149.09656	13.1
149.13306	10.7
151.11183	4.8
155.08537	2.6
157.10146	4.4
159.08070	2.1
159.11742	10.1
161.09615	3.1
161.13304	5.1
161.34697	1.4
163.11203	8.8
163.14832	1.8
163.60274	1.6
165.12750	7.7
169.10088	2.0
171.11703	3.5
173.11874	2.0
173.13284	6.8
175.11124	4.4
176.75771	1.6
177.12816	3.4
179.10829	1.7
179.14272	2.0
183.11572	3.4
187.11183	3.0
187.14915	2.5
189.11273	5.1
193.12250	2.6
195.13853	2.8
207.13794	2.2
215.14246	2.0
219.13899	2.1
227.12837	2.0
229.19550	4.1
239.17996	5.5
247.20602	4.9
257.18994	12.8
269.17642	1.8
275.20096	63.1
293.21060	7.1
295.09436	1.6
309.00977	1.4
349.23755	19.8
367.15472	6.3
367.21097	3.7
367.24850	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.5
55.01881	13.8
55.05516	42.7
57.03440	17.6
57.07055	2.6
65.03932	3.6
67.05509	74.0
69.03413	3.5
69.07074	31.9
71.03867	2.3
71.04184	1.7
71.04977	6.1
79.05498	57.8
79.06731	1.4
81.03421	10.9
81.07059	100.0
83.04990	12.5
83.08160	2.7
83.08623	38.5
85.06529	3.8
91.05483	46.1
91.62158	1.4
93.07047	51.0
93.07639	2.6
95.04978	20.5
95.08608	43.1
97.06534	13.8
97.10162	4.5
97.65195	1.4
99.08092	2.5
105.04575	2.4
105.07037	41.7
107.04967	13.1
107.08601	36.7
109.06528	25.3
109.10146	22.3
111.08104	10.7
117.07011	13.5
119.08586	33.1
119.09377	2.8
121.06532	7.9
121.10155	25.8
123.07262	2.1
123.08061	11.6
123.11716	8.3
125.09641	7.2
129.06972	7.4
130.07831	1.5
131.08586	19.8
133.06587	1.5
133.10136	33.4
135.08031	7.9
135.11690	12.8
137.09605	8.5
139.11185	4.1
143.08542	4.2
145.10118	24.0
147.08055	3.2
147.11707	21.1
149.09628	22.7
149.13254	7.9
151.11223	10.3
155.08565	2.9
156.67911	1.9
157.10129	6.3
159.11702	13.2
161.09669	2.0
161.13258	7.9
163.11191	24.3
165.12811	7.5
169.10146	4.8
171.11693	6.0
173.09656	3.5
173.13197	8.5
175.11238	6.3
175.14818	3.4
177.12767	6.8
179.10692	2.0
179.14339	2.0
183.11713	3.2
187.11169	2.2
187.14890	2.6
189.11230	3.0
189.12727	3.9
191.14330	2.5
193.12308	2.6
195.13832	2.8
197.13188	3.3
201.12750	2.6
205.12259	4.0
207.13821	2.6
215.18018	2.7
219.13962	1.9
223.13335	2.4
229.19501	5.1
233.15456	1.8
239.17981	9.0
247.20630	7.6
257.19012	13.9
275.20074	86.2
276.20239	2.4
293.20975	7.8
342.50623	1.5
349.23740	31.2
367.24826	64.3
387.30206	1.7
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
53.03941	4.6
55.01628	2.0
55.01875	24.6
55.05515	59.2
56.96548	1.5
57.03195	1.8
57.03442	23.5
57.07079	1.5
59.04997	1.9
64.97530	1.2
65.03938	4.4
67.05508	67.5
69.03425	5.8
69.07069	33.1
69.86060	5.9
71.04992	10.6
71.99576	1.4
79.05499	67.1
81.03426	9.3
81.06591	2.9
81.07060	57.9
83.04986	40.3
83.08147	2.7
83.08621	39.5
85.02911	12.8
85.06543	4.9
91.05490	37.8
93.07050	64.5
95.04974	62.3
95.08611	39.1
96.66677	1.4
97.06544	13.5
97.10181	15.9
99.04459	19.3
99.08117	1.8
103.05457	1.8
105.07037	35.8
107.04964	13.8
107.08605	60.7
109.06524	12.0
109.10155	17.3
111.04445	49.1
111.08089	12.3
113.06042	1.8
115.46970	1.5
117.07027	17.7
119.08585	29.3
121.06528	10.7
121.10147	34.5
123.08072	12.3
123.11700	5.3
125.06002	4.8
125.09626	19.0
129.06990	5.6
131.07124	1.5
131.08582	19.6
133.10139	19.6
135.08064	9.3
135.11708	16.4
137.09633	4.6
139.07553	1.7
139.11195	5.3
141.06998	2.9
143.08572	4.5
145.10143	27.2
147.08069	5.1
147.11681	12.9
149.09624	43.5
149.13281	3.7
151.11186	3.4
153.09099	2.3
153.12738	8.3
155.08620	2.2
157.10139	4.4
159.11710	14.1
161.09639	2.9
161.13266	4.9
163.11185	38.0
165.12758	7.2
167.10721	3.3
169.10159	3.4
171.10255	3.0
171.11697	4.5
173.09644	4.3
173.11833	2.3
173.13269	5.5
175.11053	2.1
175.14838	2.7
177.12776	7.5
179.10730	1.9
181.12245	7.7
183.11676	4.3
185.13248	1.8
187.11195	6.1
189.11224	15.1
189.12723	2.0
191.10689	4.4
191.14336	2.0
193.12222	1.7
197.13260	1.8
201.12683	2.0
205.12251	13.4
207.13872	3.2
211.13290	5.4
223.13306	70.4
227.12779	5.5
229.07526	1.9
229.19579	5.5
233.19020	1.6
237.14880	3.1
239.17976	5.7
247.02753	1.5
247.20584	4.0
257.19031	14.2
275.20078	100.0
276.20612	1.5
286.14169	1.5
293.21127	32.0
349.23737	10.6
367.17825	5.2
367.24826	59.8
367.29535	3.1
368.25299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
55.01876	22.8
55.05516	70.5
57.03440	32.6
57.03715	3.7
57.07067	2.4
65.03922	3.5
67.05511	72.0
69.03419	6.0
69.06731	3.4
69.07071	45.6
70.21415	8.0
71.04991	11.6
79.05500	74.7
81.03404	9.2
81.06592	4.3
81.07062	66.1
83.04990	42.8
83.08625	43.0
85.02918	13.9
85.06533	2.6
91.05484	47.3
93.07051	67.6
94.43147	1.8
95.04376	4.6
95.04977	77.3
95.08077	2.7
95.08619	42.0
97.06547	18.7
97.10159	16.2
99.04465	21.8
99.08060	3.0
105.07044	39.4
107.04958	16.4
107.08604	55.2
109.06531	11.6
109.10173	24.2
111.03722	3.9
111.04451	60.1
111.08082	20.0
117.07004	14.3
119.08595	35.3
121.06492	8.1
121.10149	45.0
123.08087	12.0
123.11720	7.3
125.06026	4.6
125.09638	21.2
129.06987	6.0
131.08575	21.7
133.10138	18.9
135.08081	10.7
135.11694	21.3
137.09619	5.4
139.11179	4.7
143.08571	4.2
145.10133	34.6
145.46333	2.3
147.08055	5.0
147.11719	20.9
149.09631	49.5
153.09096	3.1
153.12743	5.2
155.08589	2.6
157.10089	3.8
159.11716	17.8
161.09538	3.3
161.13257	4.2
163.11189	46.4
165.12798	6.7
169.10196	2.6
171.10226	5.0
171.11627	3.3
173.09639	5.2
173.11775	2.7
173.13254	5.4
175.11217	3.9
177.12714	6.7
181.12323	10.2
183.11670	3.9
187.11221	3.9
189.11232	14.5
191.10660	6.5
193.12308	3.0
197.13248	2.6
205.12270	9.2
211.13258	3.8
215.14436	2.8
223.13297	97.9
227.12854	2.5
229.19550	5.8
237.14897	2.3
239.17970	5.9
247.20589	5.2
257.19101	14.2
275.20084	100.0
276.20483	2.5
293.21133	37.6
349.23721	5.0
367.24808	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01875	19.8
55.05514	48.3
57.03442	19.7
57.07078	2.2
59.04989	2.1
65.03939	2.7
67.05506	48.7
69.03416	2.6
69.07070	29.6
70.86644	2.2
71.04989	5.4
76.14283	1.2
79.05496	52.7
81.03436	6.3
81.07059	43.0
81.07534	2.5
83.04987	26.4
83.08154	2.0
83.08623	27.7
85.02918	8.7
85.06538	1.9
91.05486	32.1
93.07047	46.2
94.24206	1.1
95.04973	58.4
95.08612	28.2
96.89581	1.3
97.06544	12.6
97.10172	18.0
99.04454	13.8
99.08117	1.4
105.07041	34.8
107.04963	15.7
107.08595	50.5
107.09312	3.0
109.06516	10.9
109.10169	18.2
111.04446	36.5
111.05213	2.1
111.08089	9.0
113.06046	1.7
113.64310	1.2
117.06996	10.0
119.08591	23.5
121.06536	8.4
121.10153	27.6
123.08062	7.1
123.11731	4.7
125.06012	2.9
125.09636	17.0
129.07030	3.0
131.08574	16.5
133.10139	18.3
135.08063	7.7
135.11710	11.3
137.05988	1.6
137.09647	3.4
139.11220	3.7
143.08588	3.8
145.10133	30.0
147.08046	3.5
147.11700	12.1
149.09622	41.0
149.13269	1.3
151.11218	2.6
152.91281	1.4
153.09157	1.8
153.12741	5.2
155.08559	2.2
157.10141	4.0
159.11713	10.2
161.09618	2.4
161.13266	4.8
163.11189	29.8
165.12779	4.9
167.10699	2.5
169.10138	3.3
171.10315	3.0
171.11693	3.9
173.09625	2.2
173.13310	3.6
175.11212	2.6
177.12801	4.7
181.12285	3.7
183.11729	2.7
185.13184	2.0
187.11197	3.3
189.11218	16.5
189.12712	2.3
191.10678	4.3
193.12305	3.1
193.98746	1.2
197.13297	2.8
204.61908	1.5
205.12280	11.1
207.13765	2.8
209.11897	1.5
211.13333	3.2
215.14334	1.3
215.17995	1.4
223.13297	54.2
227.12848	3.8
229.19481	4.0
239.18106	5.5
245.13759	1.5
247.20648	5.0
257.19046	13.1
262.28659	1.3
275.20071	100.0
276.20508	1.9
293.21115	30.1
293.24283	1.8
331.22607	1.9
349.23804	18.2
367.24857	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.5
55.01875	13.9
55.05512	57.2
57.03438	22.3
57.07066	2.5
65.03918	5.7
67.05506	92.7
68.91301	2.0
69.03424	7.4
69.07072	30.6
69.76383	5.7
69.76799	5.1
70.61634	1.7
71.04986	8.2
78.41660	1.7
79.05498	66.3
81.03416	7.7
81.07058	80.4
81.19735	1.8
83.04984	20.2
83.08622	48.3
85.06551	4.5
91.05486	52.7
93.07047	59.3
95.04977	24.9
95.08613	59.3
97.02877	5.5
97.06518	12.6
97.10158	5.5
104.80390	1.8
105.07036	49.6
106.03849	1.8
107.04959	24.6
107.08597	48.0
109.06524	13.1
109.10162	30.5
111.04451	3.9
111.08111	11.7
113.05991	2.3
113.09678	2.0
117.07005	19.0
119.08585	39.1
121.06530	12.4
121.10150	25.9
123.08060	10.5
123.11695	8.6
125.09634	12.3
129.07022	7.1
131.03848	1.9
131.08572	26.3
133.10135	42.8
135.08051	11.1
135.11696	14.1
137.09641	8.6
139.11221	3.2
141.07019	2.2
143.08563	4.5
145.10130	31.7
147.08061	6.4
147.11702	16.7
149.09628	47.2
149.13303	5.2
151.11201	13.1
153.09111	2.0
153.12769	2.1
155.08589	5.0
157.10150	6.7
159.11679	18.3
161.13283	8.0
163.11188	38.4
165.12819	5.9
168.38271	1.8
169.10109	4.0
169.12318	2.3
171.11681	5.4
173.09572	4.4
173.13278	7.9
175.11203	5.6
177.12738	7.8
183.11697	7.8
185.11771	2.7
187.11168	3.5
187.14856	3.0
189.11182	3.3
189.12753	4.2
191.10660	4.2
191.14311	3.5
197.13336	4.1
202.66119	1.9
205.12256	2.7
207.13919	3.3
215.17870	2.4
223.13293	7.2
229.19547	7.4
239.17874	12.0
247.20486	5.3
257.19040	16.8
265.21658	2.5
275.20071	100.0
276.20300	3.1
279.15967	2.8
293.21027	12.1
349.23746	29.2
367.24796	75.2
368.25116	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01879	18.8
55.05270	3.0
55.05515	47.6
56.53281	2.0
57.03441	15.8
59.99887	2.4
60.87255	2.2
64.77670	2.0
67.05138	2.4
67.05504	45.5
69.03419	4.7
69.07072	24.4
70.40937	3.4
70.41290	6.5
71.04988	6.8
72.08393	2.4
79.05079	2.7
79.05501	43.8
81.03410	7.6
81.07052	35.4
83.04988	30.7
83.08624	32.9
85.02895	8.3
87.91035	2.2
91.05476	28.6
93.07045	51.5
95.04970	63.9
95.08607	27.7
97.06548	11.5
97.10176	15.5
99.04474	14.3
105.03423	2.2
105.07036	32.3
107.04926	12.6
107.07870	3.9
107.08593	48.3
109.06502	9.9
109.10168	16.9
111.04436	41.7
111.08081	10.1
117.06992	12.2
119.08586	22.5
121.06490	11.1
121.10148	32.3
123.08073	7.4
123.11671	5.1
125.05960	2.7
125.09626	15.0
126.85191	2.2
129.06998	5.0
131.08591	16.8
133.10147	18.9
135.08037	5.8
135.11732	12.2
137.09630	3.3
139.11189	5.6
143.08475	2.5
145.10136	25.4
147.08034	6.1
147.11745	10.9
149.09615	36.5
151.11174	4.6
153.12743	5.4
157.10104	5.0
159.11707	9.0
161.09619	3.3
161.13263	4.5
163.11195	35.0
165.12737	4.4
171.10202	2.5
171.11636	3.8
173.09633	2.9
173.13185	3.3
177.12778	4.5
177.94485	2.5
181.12212	4.8
183.11607	2.2
187.11070	4.0
189.11198	15.0
191.10667	2.4
205.12241	10.2
211.13222	3.0
223.13289	64.7
227.12738	3.5
229.19463	6.7
239.17911	6.6
247.20677	2.6
257.19003	14.2
275.20041	100.0
293.21051	37.7
349.23709	11.6
367.20380	4.6
367.24811	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01873	5.0
55.05266	2.2
55.05512	25.0
57.03446	9.3
57.07055	1.9
59.04989	1.6
65.03926	1.6
66.59735	1.5
67.05511	33.7
69.03444	2.9
69.07079	15.7
71.04998	3.4
71.53490	1.5
71.53854	1.5
71.87283	1.4
75.04430	1.5
77.78323	1.3
77.83120	1.3
79.05070	2.5
79.05498	30.3
81.03416	3.7
81.07059	34.8
83.04987	6.6
83.08624	14.9
85.02908	2.7
85.06539	1.8
91.05483	19.5
93.07045	28.9
95.04376	2.2
95.04977	38.4
95.08618	17.2
97.06570	6.6
97.07121	1.3
97.10170	10.0
99.04456	2.1
99.08119	1.4
105.07045	20.1
107.04955	11.9
107.08601	25.4
109.06532	7.7
109.10178	14.2
109.10870	2.7
111.04472	7.7
111.08076	5.3
117.07027	9.0
119.08578	14.7
121.06511	12.3
121.10159	14.6
123.08065	5.3
123.11695	3.7
125.09620	11.2
129.06985	3.8
131.08562	12.7
133.10132	11.7
135.08061	5.4
135.11671	5.5
137.09644	3.8
141.07014	1.8
142.07845	1.5
143.08528	5.3
145.10121	17.0
147.08040	3.6
147.11684	9.3
149.09636	25.7
149.13277	1.6
153.09181	2.3
155.08536	1.5
157.10146	2.8
159.07942	1.7
159.11714	8.4
161.09659	2.2
161.13242	4.0
163.11194	20.9
165.12740	2.5
169.10126	3.9
171.11684	2.4
173.11862	2.2
173.13332	2.1
177.12711	4.0
183.11690	2.1
187.11131	1.9
189.11270	8.5
193.12152	1.7
197.13290	1.6
199.11142	1.7
199.14720	1.6
205.12231	11.8
207.13916	1.8
210.13982	1.5
223.13326	11.5
227.12816	4.9
229.19571	3.6
239.17882	2.6
245.13744	5.0
247.20491	2.6
257.19046	7.6
275.20087	100.0
276.20609	1.7
293.21164	8.9
297.16785	1.7
336.45691	1.4
349.23758	8.3
367.18326	1.7
367.24979	41.0
368.24768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01885	1.2
55.05512	2.6
55.81220	0.9
56.05022	4.4
57.03431	3.8
58.06602	1.1
60.04529	100.0
60.91670	0.9
67.05510	10.4
69.03430	1.4
69.07074	8.4
70.06594	7.1
71.04995	2.7
71.51633	1.2
72.04501	1.5
72.08146	4.1
74.06069	2.9
79.05500	6.0
80.05009	2.4
81.03424	1.9
81.07060	12.5
82.06602	2.6
82.15482	1.0
83.04995	1.4
83.08614	1.1
84.04488	3.7
84.08146	8.7
85.02901	2.9
85.06545	4.0
86.06081	1.4
86.09707	7.2
89.90993	1.1
90.05552	1.1
91.05491	7.3
93.07048	7.9
94.06570	2.6
95.08044	1.6
95.08606	11.2
97.02927	1.3
97.06532	3.0
97.41359	1.0
98.06069	1.1
99.08122	2.5
105.07034	5.9
107.08588	5.8
109.10151	4.5
110.07205	2.1
115.07583	1.3
116.89268	1.0
119.08582	2.8
120.08082	5.6
121.10138	3.8
123.08028	1.7
123.11705	3.7
127.11201	3.8
129.10254	1.9
130.05019	1.8
131.08603	2.1
133.10144	4.1
135.11726	2.4
136.07574	4.6
138.87869	0.9
143.08517	1.4
147.11726	1.6
151.11179	3.0
161.13281	1.1
162.04063	2.3
169.12247	14.3
169.80470	1.0
171.11629	1.3
173.12814	2.5
187.13274	1.4
199.14580	1.1
201.12347	2.4
204.97150	1.3
205.06544	1.5
264.23172	1.5
265.18500	1.1
276.23267	3.9
293.09082	1.8
294.24316	6.2
303.13174	1.7
312.25397	6.5
330.26340	9.6
348.27448	28.0
366.28506	95.4
367.28726	1.2
372.90060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54837	1.1
60.04535	1.6
61.02912	1.1
64.61845	1.2
67.05498	1.6
69.03418	2.6
69.07042	1.6
70.06602	11.6
71.51657	1.6
72.08140	4.9
72.11871	1.0
73.02901	2.9
81.07045	3.2
84.04485	3.0
84.08151	7.2
85.02905	3.3
86.09704	12.3
87.05539	1.6
88.03954	1.0
91.05475	3.8
91.53597	1.2
93.07058	1.4
95.01318	3.0
95.04964	1.2
95.08608	1.6
97.02866	1.3
102.05544	1.3
103.02225	1.3
107.08579	1.3
107.64752	1.1
108.59501	1.1
110.07127	2.3
111.60397	1.1
113.02362	13.1
115.05440	1.6
117.05751	3.7
117.07008	2.9
118.06544	39.6
120.08111	4.1
120.11587	0.9
121.06511	1.3
123.08076	1.3
129.06982	3.6
129.10223	4.3
130.06528	100.0
131.05049	1.2
132.08057	4.3
134.26297	1.2
134.64197	1.0
136.07594	1.9
139.03934	1.3
143.07315	4.3
143.36369	1.3
144.04495	1.4
144.08087	76.0
146.05942	1.3
147.04361	1.9
151.11150	1.2
154.06512	10.9
155.07251	8.9
156.08105	9.6
157.13358	1.9
158.06012	9.3
159.09085	1.2
160.07558	8.8
163.03885	1.2
167.07314	3.0
168.08087	5.7
169.08580	2.0
169.12257	1.3
170.06007	2.8
172.07576	65.7
173.08192	2.0
180.08080	2.2
181.04930	11.4
182.05959	2.5
182.08072	1.4
184.07562	12.9
186.05518	7.3
187.09633	1.6
190.08636	59.6
194.05965	1.6
196.07523	5.8
198.05505	5.0
200.07111	3.8
204.83415	1.2
208.07568	1.7
210.09076	1.3
212.07098	5.6
214.08736	2.3
214.79311	1.1
224.07036	5.6
226.08717	1.8
236.06975	1.2
242.08092	4.0
244.56857	1.2
252.06604	1.7
254.08162	6.8
260.09207	8.9
266.08130	1.3
272.09164	9.6
274.11429	1.3
286.07117	1.6
291.03745	1.3
300.08698	1.8
302.10309	4.2
304.08133	3.0
312.08890	2.4
320.11273	6.5
330.09738	9.7
348.10666	7.2
366.11261	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	366.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98230	0.9
60.49072	0.9
71.15743	1.0
75.83128	0.9
80.24475	1.0
97.93556	0.8
101.00875	1.1
114.66376	0.8
177.00970	7.5
182.99884	1.0
198.98125	1.3
201.00883	2.0
216.98958	3.6
217.97487	0.9
219.02042	12.3
222.97911	2.0
234.99959	8.3
240.98955	9.0
243.01973	3.1
253.00909	1.2
259.00046	27.8
259.99866	1.1
261.03113	27.3
264.98901	1.7
273.98798	1.4
277.01074	16.7
283.00009	77.0
284.00110	2.9
298.67569	0.9
301.01074	100.0
302.01126	3.1
319.02167	4.1
324.02631	2.2
325.01080	10.5
343.02136	60.9
344.02304	1.3
361.03204	13.9
366.03610	1.9
383.96448	1.2
385.03156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01871	26.4
55.05283	4.5
55.05514	43.2
57.03409	9.1
58.31602	3.0
59.04971	4.4
65.03922	3.7
67.05508	45.9
68.26775	2.7
69.03423	7.4
69.07068	43.2
70.06577	11.6
71.05006	20.0
71.51850	2.7
71.52274	5.5
72.08142	4.2
73.06532	2.9
79.05494	40.2
81.03400	11.1
81.07057	58.8
83.04985	18.6
83.08611	34.0
84.08128	8.7
85.02901	10.0
85.06541	26.2
86.06042	3.6
86.09692	10.2
91.05471	42.3
93.07043	50.5
95.04967	31.2
95.08617	29.9
97.06534	18.8
97.10159	19.8
98.06872	3.5
99.04456	4.6
99.08089	7.1
101.05978	3.8
105.07030	24.9
107.04922	7.9
107.08589	33.6
109.06506	8.8
109.10165	19.0
111.04449	9.9
111.08064	13.4
113.06030	4.0
115.07578	3.2
117.07021	8.9
119.08597	20.4
120.08087	3.5
121.06503	7.4
121.10165	34.3
123.08051	7.6
123.11700	7.7
125.09631	72.4
129.06949	3.8
129.09149	14.6
129.10127	3.4
130.06615	3.6
131.08598	17.1
133.06490	4.0
133.10124	16.2
135.08035	10.1
135.11713	8.4
136.06157	15.4
137.06583	5.6
137.09654	4.5
139.11169	17.7
143.08531	5.8
144.04469	6.6
145.10135	19.7
147.04439	6.7
147.08026	5.6
147.11676	11.4
147.66324	3.0
149.09607	16.5
149.10626	3.4
151.07516	3.6
151.11185	3.7
152.07066	3.9
155.10664	11.9
157.10124	5.7
159.11674	9.6
161.09586	4.5
161.13225	6.8
163.11206	8.3
167.10582	3.2
169.12289	7.2
171.11757	5.3
173.09630	3.2
175.11221	3.3
185.11742	11.6
189.11188	7.2
196.06056	3.2
203.12758	12.9
211.13194	8.3
223.13298	16.5
237.14951	5.6
239.17986	7.2
257.19012	10.7
275.20056	81.4
293.21118	100.0
311.22137	25.7
329.17487	3.4
329.23074	4.5
361.02332	4.5
365.15952	4.2
365.19852	12.6
365.23880	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20227	2.2
53.03949	5.4
55.01885	3.3
55.05513	8.5
56.23734	2.1
57.03457	5.7
57.07062	4.6
62.33595	2.1
65.03941	3.2
67.05503	21.5
69.03447	6.7
69.07086	16.7
71.05000	5.6
71.40161	2.0
71.52430	3.6
74.97999	2.0
79.05488	24.5
81.07064	29.7
83.04993	5.1
83.08608	4.7
85.06562	7.5
90.77712	2.3
91.05492	33.0
93.07046	29.2
95.04982	35.7
95.08613	20.6
97.06548	7.7
97.10168	2.4
105.07038	38.4
105.07671	2.6
107.04958	3.0
107.08597	22.1
109.06555	9.4
109.10162	14.7
111.08073	3.6
117.07063	12.4
119.08590	35.9
121.06523	5.0
121.10144	29.0
123.08112	10.1
123.11755	4.8
128.06268	6.3
129.07002	12.2
130.07867	3.3
131.08588	22.4
133.06511	3.2
133.10149	19.7
135.08112	10.2
135.11760	6.2
137.09662	5.2
141.07082	5.1
142.07758	13.0
143.08588	24.7
144.09250	2.4
144.86369	2.2
145.10161	22.5
147.08076	17.3
147.11729	8.3
149.09662	5.6
151.11275	4.0
155.08592	14.8
156.09406	10.4
157.10147	28.9
157.11118	2.7
158.10934	6.2
159.08162	4.2
159.11714	16.5
161.09662	10.3
163.11313	3.3
165.06979	5.5
167.08652	8.1
167.10678	3.9
168.09444	4.2
169.10135	16.5
170.10924	7.2
171.11717	23.2
173.09695	6.3
173.13234	12.5
175.11234	3.7
177.12782	2.8
179.08653	10.2
180.09418	4.2
181.10133	13.0
182.10976	5.9
183.11740	24.2
184.12492	5.2
185.09633	3.7
185.13304	11.0
187.11263	5.7
187.14847	3.3
191.08733	2.8
191.14313	3.9
192.09462	5.3
193.10173	15.4
194.11026	10.2
195.11739	20.1
196.12561	3.9
197.13248	15.8
199.11179	5.1
199.14880	6.9
201.12854	3.9
204.09488	3.3
205.10220	2.8
206.10999	9.5
207.11678	18.1
208.12549	7.5
209.09633	2.3
209.13309	19.4
210.14070	2.7
211.14929	9.5
213.12833	5.2
217.10237	4.4
217.15945	6.7
219.11757	6.4
220.12569	5.8
221.13309	15.1
222.14180	4.3
223.11324	5.2
223.14928	16.4
224.15564	3.5
225.12880	9.0
225.16438	4.3
227.14323	3.5
231.11809	3.0
232.12576	2.9
233.13371	11.1
234.14081	5.3
235.11272	3.0
235.14937	9.1
236.15714	3.8
237.16493	9.0
239.14372	3.5
239.18013	3.3
245.13351	5.2
247.14941	9.5
248.15732	4.3
249.12929	2.8
249.16443	14.2
251.18086	5.7
253.16008	3.0
257.13315	3.2
258.14334	2.6
259.14944	4.3
263.18091	9.2
264.18842	4.3
265.16058	8.2
265.19647	3.3
267.17603	6.9
269.19186	4.0
273.16263	2.9
273.18765	4.5
275.18030	3.3
277.16132	4.6
281.19144	8.3
287.18307	2.4
289.19745	3.9
291.17514	7.8
291.20111	4.6
305.19247	2.8
307.20801	2.9
309.18430	4.3
319.24203	3.4
333.20496	3.3
337.25351	6.0
347.23691	33.0
365.24866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.5
55.01868	8.4
55.05515	40.1
57.03428	10.9
59.04997	13.8
60.17996	7.0
67.05512	63.0
69.03431	21.3
69.07062	34.6
71.04998	12.1
71.52312	10.9
79.05502	54.7
81.07066	76.1
83.04971	12.0
83.08620	18.8
85.06553	8.5
91.05495	72.1
93.07045	80.7
95.04985	49.2
95.08620	34.6
97.06535	18.5
97.10185	11.3
100.59946	6.1
105.07047	97.5
107.04961	14.6
107.08604	81.8
109.06518	29.9
109.10165	62.3
111.08060	23.1
115.05483	8.6
117.07030	22.0
119.08575	100.0
121.06509	20.3
121.10176	61.8
123.08057	14.3
123.11674	9.0
125.09586	7.6
128.06213	14.7
129.07033	27.6
130.07785	11.7
131.08563	65.1
133.10112	65.1
135.08064	27.1
135.11690	13.5
137.09607	49.1
138.31339	7.1
142.07773	23.8
143.08551	53.1
144.09297	15.6
145.06480	7.8
145.10150	66.5
147.08086	36.5
147.11707	26.0
149.09618	18.4
155.08560	19.2
156.09370	25.1
157.10136	59.8
158.10852	7.0
159.08075	14.1
159.11731	32.9
161.09605	46.4
161.13266	11.3
165.06987	13.7
167.08623	10.0
169.10164	27.3
170.10915	9.4
171.08119	7.0
171.11705	49.9
173.09637	19.3
173.13283	14.7
175.11188	14.4
175.14757	9.8
179.08556	12.0
180.09322	9.8
181.10124	16.6
183.11774	25.8
185.09644	12.4
185.13229	26.1
189.12791	10.1
193.10153	8.7
194.10918	11.6
195.11665	8.9
196.12477	10.7
197.13263	19.1
199.14833	23.3
203.14383	12.9
207.11742	14.1
208.12535	7.4
209.13327	31.7
211.14798	11.8
221.13255	11.3
223.14922	10.5
227.14340	40.3
243.13823	11.3
255.17480	11.5
263.17917	7.0
273.18494	23.5
281.19031	8.3
291.19745	15.4
347.23718	11.3
365.24426	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03963	2.9
55.01879	3.6
55.05519	14.0
55.61077	1.9
57.03445	3.0
57.07067	6.3
67.05515	23.3
69.03419	4.3
69.07062	12.5
70.84942	2.8
70.85262	3.3
71.04977	4.3
79.05499	21.4
81.03396	2.0
81.07052	26.9
83.04990	4.2
83.08627	6.0
85.06534	3.4
91.05476	30.6
93.07040	35.8
95.04970	26.8
95.08605	22.1
97.06525	5.3
97.10164	2.5
105.04538	2.8
105.07030	45.8
105.07697	3.4
107.08611	28.0
109.06515	10.9
109.10172	16.6
111.04446	2.4
113.06014	2.2
115.05469	4.2
117.07025	14.7
119.08584	39.9
119.09374	4.0
121.06526	4.1
121.10149	31.6
123.08087	5.1
123.11757	3.7
125.09615	2.6
128.06239	8.2
129.06999	10.6
130.07768	4.5
131.08557	30.5
131.81892	1.8
133.06502	2.8
133.10149	17.1
135.08089	11.4
135.11685	5.2
137.09642	4.7
141.06992	5.5
142.07779	13.3
143.08574	30.9
144.09337	5.2
145.10132	39.1
147.08072	8.7
147.11699	12.9
149.09645	11.3
149.13258	3.3
151.11247	2.5
153.07059	4.7
155.08549	15.3
156.09366	8.6
157.10150	26.6
158.10915	4.1
159.08075	5.2
159.11703	18.5
161.09697	8.4
161.13239	4.3
163.11205	4.0
165.07076	3.5
167.08575	7.4
168.09373	3.5
169.10100	14.4
170.10921	4.3
171.08054	2.8
171.11717	16.1
173.09668	7.7
173.13264	34.8
175.11221	8.2
175.14883	2.3
179.08607	8.8
180.09308	3.6
181.10146	11.5
182.10921	5.0
183.11725	23.2
184.12517	3.2
185.13319	8.8
187.11235	6.8
189.12756	3.7
191.08578	2.3
191.14320	30.8
192.09416	4.6
193.10115	11.7
194.10976	6.9
195.11699	20.3
196.12532	3.7
197.13249	11.6
199.11276	2.6
199.14822	7.4
201.12764	8.2
203.14363	5.2
205.10152	3.8
206.10941	5.0
207.11763	15.7
208.12483	7.5
209.13344	14.8
211.11275	5.0
211.14868	10.6
213.12801	4.0
213.16478	2.9
216.15160	4.0
217.15935	4.2
218.10870	4.3
219.11758	5.8
220.12561	5.2
221.13263	9.8
222.10487	2.6
222.14143	4.3
223.11183	3.6
223.14873	12.8
225.12834	3.8
225.16388	5.2
227.14447	3.8
229.15944	2.4
231.11783	3.9
232.12633	3.0
233.13394	4.4
234.14058	5.8
235.14909	6.5
237.12814	2.4
237.16449	6.0
239.14360	4.1
239.17984	2.9
241.15895	2.8
243.11794	3.5
247.14891	4.6
248.15640	3.1
249.16418	12.4
251.17990	4.1
253.16072	4.1
255.17351	3.9
261.16449	3.6
263.14331	2.4
263.18048	6.0
264.18814	2.7
265.15982	7.1
267.17426	8.6
269.19104	3.0
273.18646	6.7
277.15884	5.0
279.17542	2.4
281.19086	7.7
282.19818	3.9
291.17340	5.7
297.18408	2.3
309.18542	3.0
329.22726	3.1
337.25427	5.0
347.23798	26.6
363.15479	2.4
365.24765	100.0
366.25165	2.4
387.94507	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01871	5.1
55.05511	9.0
56.32026	1.6
57.07078	14.6
67.05512	20.6
68.16447	1.6
69.03429	4.9
69.07069	34.7
69.28922	16.0
71.04400	1.8
71.05007	3.9
77.03964	2.3
79.05492	17.9
81.07069	19.5
81.59651	1.6
83.04978	4.9
83.08607	2.1
85.06543	7.9
91.05482	26.0
93.07052	38.8
95.04972	15.2
95.08611	30.1
97.06524	9.3
100.46835	1.9
105.07040	45.9
105.07700	3.7
107.04975	3.0
107.08604	25.3
109.06513	9.5
109.10163	23.4
111.08078	4.8
113.09644	9.4
115.05500	3.6
117.07038	19.0
119.04974	3.4
119.08583	40.2
119.09378	3.2
121.06500	10.3
121.10137	28.1
122.07307	4.8
123.08078	8.0
123.11684	3.1
128.06241	6.7
129.07022	8.4
130.07796	3.9
131.08574	17.9
133.06506	100.0
133.07501	4.1
133.10133	26.7
135.08064	14.2
135.11697	8.2
137.09628	24.5
139.11182	19.4
141.07010	3.4
142.07782	11.7
143.08542	19.1
144.09326	2.7
145.06517	3.8
145.10147	26.6
146.07240	3.7
147.08044	14.3
147.11687	14.8
149.09616	6.1
149.13229	2.7
155.08565	4.2
156.09393	4.9
157.10138	35.3
158.10963	2.2
159.08086	4.1
159.11754	8.8
161.09634	30.6
161.13258	4.7
163.11209	8.1
165.06972	2.2
165.12793	1.9
169.10129	4.9
170.10899	5.2
171.08009	2.8
171.11707	10.5
172.08859	2.2
173.09607	6.5
173.13303	5.0
175.11229	7.9
175.14825	2.9
179.08524	3.0
180.09355	2.1
181.10133	4.2
183.11713	5.0
185.09671	8.5
185.13251	9.8
187.11150	5.0
187.14842	6.0
189.12738	5.5
191.14320	8.3
193.10182	3.1
194.10847	2.3
195.11755	8.3
197.09627	2.7
197.13240	3.5
198.13843	2.0
199.11221	6.7
199.14862	8.9
201.12669	2.6
203.14331	57.3
205.15874	3.5
207.11731	4.2
208.12524	2.0
209.13242	10.2
211.11165	2.3
211.14853	4.1
213.12788	6.7
213.16533	3.4
215.14395	9.1
217.15915	5.8
221.13219	2.4
223.14870	2.6
225.12776	2.7
227.14388	6.4
239.14377	2.2
249.16484	1.8
255.17462	10.6
255.19791	1.8
263.20117	5.4
267.17590	2.1
269.18945	3.0
283.20395	1.9
291.17416	3.1
347.25870	5.7
365.24615	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33419	4.3
53.03943	7.6
55.05513	25.8
57.07065	8.3
59.04994	12.4
67.05502	37.5
67.36495	5.2
69.03422	17.4
69.07058	22.5
69.72504	4.6
71.52234	6.1
79.05498	50.8
81.07056	52.6
83.04968	16.2
83.08624	10.4
85.06527	8.6
91.04974	6.8
91.05484	64.2
93.07049	75.1
95.04967	49.0
95.08614	30.4
97.06526	16.1
103.05488	4.7
103.39086	4.9
105.07030	100.0
107.04983	7.1
107.08591	64.4
109.06512	22.4
109.10152	37.4
111.08067	16.3
115.05434	7.6
117.07001	26.4
119.04995	5.1
119.08582	98.3
121.06493	17.5
121.10145	48.6
122.07275	9.0
123.08051	16.2
123.11660	8.8
125.09613	8.7
128.06172	9.9
129.06995	19.2
130.07787	10.5
131.08583	48.3
133.10120	60.0
135.08058	23.3
135.11687	15.2
137.09660	44.7
141.07021	12.4
142.07773	18.7
143.08565	43.1
144.09320	11.6
145.10136	51.5
147.08035	29.3
147.11734	25.1
149.09604	22.6
154.50920	5.2
155.08557	18.6
156.09354	23.2
157.10136	56.7
159.08070	15.4
159.11702	23.1
161.09650	50.9
161.13322	9.0
167.08508	10.2
169.10126	19.2
170.10843	9.1
171.11732	45.3
173.09634	16.9
173.13272	18.6
175.11223	8.6
179.08580	18.0
181.10118	13.3
182.10892	9.2
183.11606	13.6
185.09634	11.2
185.13277	23.7
187.14807	6.5
189.12744	7.4
191.14249	6.1
193.10063	5.8
194.10938	7.1
195.11734	17.6
196.12663	5.6
197.13235	16.2
199.11099	7.4
199.14825	14.5
201.12833	7.9
207.11641	7.1
209.13191	20.8
211.14856	7.2
215.14284	8.1
221.13217	7.2
227.14299	23.4
233.13304	6.5
249.16238	6.7
255.17444	8.0
263.17889	8.3
273.18448	12.1
277.91000	5.9
281.19003	12.7
347.23770	8.8
365.24619	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02108	1.1
50.22198	1.2
50.68218	1.2
53.03955	2.9
55.01873	9.3
55.05513	18.4
57.03434	5.6
59.04996	1.5
61.60096	1.1
65.03913	1.3
67.05508	23.6
69.03423	4.4
69.07069	6.4
69.57250	9.1
71.04982	2.7
75.04468	2.5
79.05495	33.2
81.03426	7.9
81.07062	46.5
83.04978	4.3
83.08608	4.8
85.06559	2.0
91.05486	26.8
93.07046	14.4
95.04988	9.9
95.08619	11.7
97.06557	2.8
97.10177	5.4
101.63417	1.2
105.03399	2.0
105.07039	19.2
107.04955	12.7
107.08588	11.5
109.06519	8.0
109.10159	6.4
109.98727	1.2
111.08085	2.8
117.07035	16.2
118.84940	1.2
119.04939	3.9
119.08586	30.0
121.06491	12.7
121.10170	6.7
123.08062	2.9
125.09628	5.1
128.06201	3.2
129.07036	7.9
131.08557	10.6
131.68135	1.1
133.06503	7.5
133.10120	8.0
135.08060	8.5
135.11726	2.4
137.09583	1.2
143.08546	7.3
145.06493	3.3
145.10103	11.2
147.08070	16.9
147.11714	3.7
148.64142	1.2
149.09619	4.1
157.10115	5.2
159.08070	8.0
159.11719	3.9
161.09627	22.7
163.11150	7.3
171.11653	4.6
173.09615	2.7
173.13277	2.0
175.11168	3.1
177.12711	2.1
185.09682	2.4
185.13292	3.1
187.11186	1.6
189.11278	3.0
189.12769	2.2
193.12236	3.0
199.11183	3.0
200.01060	1.4
201.12756	2.2
213.69856	1.3
223.13406	1.3
227.12915	1.6
227.18008	3.1
231.13791	2.2
240.79820	1.5
245.19092	5.2
255.17400	6.6
273.18503	100.0
274.18848	1.9
291.19510	11.8
347.22156	4.9
365.23227	50.8
365.26602	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01880	5.0
55.05515	12.2
57.03428	4.3
57.07085	3.6
59.05003	2.8
65.03939	2.9
66.95798	2.2
67.05517	22.8
69.03437	4.3
69.07083	17.1
71.04980	3.3
79.05496	20.9
81.07063	31.4
83.05003	3.0
83.08631	6.1
85.06539	6.9
85.24777	1.9
91.05488	28.3
93.07061	30.7
95.04983	38.5
95.08624	20.4
97.06561	6.9
97.10178	2.8
99.08102	2.7
105.07043	34.6
105.07691	2.9
107.04959	4.1
107.08599	25.4
108.23118	2.0
109.06535	10.2
109.10164	14.5
111.04439	2.6
115.05450	3.3
117.07063	11.8
119.08589	43.4
121.06526	6.4
121.10154	29.5
123.08094	8.3
123.11753	3.2
125.09642	3.5
128.06282	7.1
129.07034	9.1
130.07779	3.8
131.08588	24.9
133.10152	18.8
135.08055	10.5
135.11755	5.1
137.09628	3.9
141.07016	7.5
142.07796	12.1
143.08569	21.2
144.09366	5.4
145.06540	2.5
145.10153	26.5
147.08051	15.9
147.11716	6.8
149.09653	4.2
153.07033	4.5
154.07787	2.9
155.08624	9.5
156.09348	12.8
157.10147	30.4
158.10854	3.1
159.08115	4.1
159.11711	15.9
161.09621	10.3
161.13283	2.8
163.11258	3.9
163.49094	2.2
165.07076	7.0
166.07886	3.4
167.08626	5.7
168.09425	6.7
169.10127	19.6
170.10936	4.6
171.11700	21.7
172.08965	2.0
172.12486	3.7
173.09689	6.4
173.13266	13.3
175.11235	5.9
177.12766	2.6
179.08562	7.5
180.09427	6.7
180.85667	2.2
181.10120	16.1
182.10898	4.8
183.11717	18.7
184.12512	5.9
185.09694	3.8
185.13318	9.4
187.14871	2.9
189.11250	2.9
191.14391	4.1
192.09381	4.7
193.10106	15.2
194.10992	8.0
195.08147	2.5
195.11720	20.5
196.12473	5.1
197.09662	2.9
197.13252	12.5
199.11220	4.0
199.14905	8.3
201.12779	4.2
203.08598	2.7
203.14449	2.5
203.93779	2.6
205.10197	4.0
206.10976	5.3
207.11739	18.9
208.12526	8.9
209.13304	17.7
210.10535	3.9
210.14084	3.1
211.14821	10.4
213.12920	4.4
217.10301	3.2
217.15955	5.1
219.11798	6.7
220.12520	5.0
221.13353	16.2
221.15282	3.3
222.14117	5.7
223.11346	4.9
223.14853	11.3
225.12874	4.4
225.16417	2.3
227.14455	3.6
231.11707	3.3
232.12633	2.7
233.13332	8.1
234.14191	5.9
235.14928	8.4
237.12894	2.7
237.16499	6.7
239.18098	2.4
243.11826	5.0
245.13365	2.2
247.15024	6.2
248.15703	3.8
249.12798	2.6
249.16537	7.8
251.14668	3.3
251.17979	5.3
253.16023	4.6
255.17641	2.7
258.14148	2.9
261.16486	3.6
263.14667	3.0
263.18045	11.3
264.18811	5.3
265.16028	7.1
265.19635	3.1
267.17624	7.1
269.19113	5.9
273.16119	4.0
273.18674	8.2
277.15967	3.7
281.19034	5.4
283.20792	2.6
287.18118	4.0
291.17471	9.3
291.20193	4.8
297.18695	2.6
307.20740	4.4
309.18552	4.2
319.24255	3.7
333.20276	4.9
337.25455	4.3
347.23737	28.8
365.24832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02108	1.1
50.22198	1.2
50.68218	1.2
53.03955	2.9
55.01873	9.3
55.05513	18.4
57.03434	5.6
59.04996	1.5
61.60096	1.1
65.03913	1.3
67.05508	23.6
69.03423	4.4
69.07069	6.4
69.57250	9.1
71.04982	2.7
75.04468	2.5
79.05495	33.2
81.03426	7.9
81.07062	46.5
83.04978	4.3
83.08608	4.8
85.06559	2.0
91.05486	26.8
93.07046	14.4
95.04988	9.9
95.08619	11.7
97.06557	2.8
97.10177	5.4
101.63417	1.2
105.03399	2.0
105.07039	19.2
107.04955	12.7
107.08588	11.5
109.06519	8.0
109.10159	6.4
109.98727	1.2
111.08085	2.8
117.07035	16.2
118.84940	1.2
119.04939	3.9
119.08586	30.0
121.06491	12.7
121.10170	6.7
123.08062	2.9
125.09628	5.1
128.06201	3.2
129.07036	7.9
131.08557	10.6
131.68135	1.1
133.06503	7.5
133.10120	8.0
135.08060	8.5
135.11726	2.4
137.09583	1.2
143.08546	7.3
145.06493	3.3
145.10103	11.2
147.08070	16.9
147.11714	3.7
148.64142	1.2
149.09619	4.1
157.10115	5.2
159.08070	8.0
159.11719	3.9
161.09627	22.7
163.11150	7.3
171.11653	4.6
173.09615	2.7
173.13277	2.0
175.11168	3.1
177.12711	2.1
185.09682	2.4
185.13292	3.1
187.11186	1.6
189.11278	3.0
189.12769	2.2
193.12236	3.0
199.11183	3.0
200.01060	1.4
201.12756	2.2
213.69856	1.3
223.13406	1.3
227.12915	1.6
227.18008	3.1
231.13791	2.2
240.79820	1.5
245.19092	5.2
255.17400	6.6
273.18503	100.0
274.18848	1.9
291.19510	11.8
347.22156	4.9
365.23227	50.8
365.26602	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	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
60.04514	0.4
67.05489	0.6
69.03433	0.9
69.07073	0.7
69.84966	1.3
69.85378	1.1
70.06583	3.1
70.45689	0.5
71.04989	0.7
72.08144	1.6
74.06098	0.6
81.03394	0.6
81.07053	1.0
83.04973	0.5
84.04507	0.7
84.08131	2.1
85.02886	1.1
85.06542	0.5
86.09692	2.9
86.70360	0.4
91.05482	1.0
93.07029	0.8
95.08602	0.5
105.07046	0.8
107.08560	0.5
109.10102	0.6
110.07171	1.1
120.08087	1.1
123.00847	0.4
123.08084	0.7
127.38390	0.5
129.10245	0.8
130.06531	0.7
137.05882	0.4
141.57921	0.4
145.04886	0.4
147.04398	0.7
165.05452	0.7
169.01375	0.6
171.00528	1.9
171.08142	0.5
181.04988	0.9
185.04242	5.1
185.15381	0.5
193.05003	0.9
203.03159	100.0
207.07715	0.6
275.04669	0.5
291.48911	0.6
365.08429	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25631	1.6
79.20603	0.5
85.77056	0.5
135.50371	0.5
143.59344	0.5
151.37845	0.6
185.04218	17.3
185.05830	1.1
203.05263	35.0
222.49220	0.5
232.71118	0.5
365.10553	100.0
366.10892	0.7
377.38962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.7
53.03939	3.8
55.01879	18.6
55.05269	2.5
55.05515	33.6
57.03443	20.3
59.03581	1.4
65.03948	2.5
67.03606	1.3
67.05511	53.3
69.03439	7.4
69.07076	25.8
70.17287	6.8
71.04992	5.3
79.05497	58.0
81.03432	12.7
81.07065	89.4
83.04987	17.9
83.08627	16.1
85.02908	7.2
85.06536	3.6
86.09698	1.6
91.05484	46.6
93.07053	45.5
95.04981	29.3
95.08611	30.0
97.02874	2.5
97.06531	13.4
97.10181	15.5
99.04461	4.3
99.08078	1.8
103.05431	2.3
105.03348	2.4
105.04520	1.8
105.07036	34.9
106.58640	1.5
107.04973	23.3
107.08596	30.1
109.06528	16.4
109.10178	16.1
111.04457	14.4
111.08086	8.4
115.05490	3.0
117.07031	22.9
119.04959	4.2
119.08595	42.5
121.06506	19.8
121.10162	18.4
123.04449	4.8
123.08075	28.0
123.11808	1.9
125.06017	2.7
125.09628	14.3
128.06256	3.2
129.07001	13.1
130.07779	2.3
131.08560	21.5
133.06522	8.9
133.10146	18.2
135.08063	16.0
135.11700	10.6
137.05966	1.9
137.09619	11.9
139.07556	2.8
141.07082	2.2
142.07809	4.1
143.08557	12.3
145.06517	3.8
145.10133	23.4
146.07214	1.9
147.04451	4.8
147.08064	23.1
147.11682	9.1
149.09627	13.6
149.13293	3.0
151.07582	2.0
151.11185	1.7
153.09126	3.2
153.12764	4.4
155.08572	2.3
157.06529	2.5
157.10193	12.2
159.08047	5.4
159.11719	10.0
161.09639	26.5
161.13312	2.8
163.11197	20.3
163.14986	1.7
165.09106	9.5
165.12778	2.6
167.10600	2.0
171.08040	1.9
171.10376	1.8
171.11743	5.2
173.09641	3.9
173.13301	2.2
175.11133	8.8
177.12772	5.7
181.12303	4.5
183.11700	2.9
185.09650	3.4
185.13277	4.3
187.11256	3.6
187.13062	1.7
189.09050	2.4
189.11238	16.4
189.12799	4.2
191.10686	4.5
195.11765	1.7
199.11159	2.6
199.14769	2.9
201.12943	1.5
205.12300	4.8
209.11705	2.5
213.12762	1.8
223.13275	6.5
227.12682	7.4
227.17880	5.6
237.16394	1.8
245.19080	12.8
249.15004	2.9
255.17519	8.2
263.20139	2.8
273.18515	100.0
274.18903	1.8
291.16776	1.3
291.19543	59.5
347.22156	12.9
365.23276	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97504	2.6
53.03931	7.4
55.01859	12.3
55.05272	3.4
55.05513	38.3
57.03440	100.0
57.07049	3.9
65.03938	4.0
67.05509	55.6
69.03410	5.5
69.07061	14.5
70.06599	3.0
71.04969	5.1
71.52116	2.9
79.05499	37.5
81.03405	3.3
81.07061	44.4
83.04987	77.8
83.08601	9.1
85.06546	7.1
91.05483	56.5
93.07047	36.9
95.04971	22.1
95.08615	28.2
96.08282	2.5
97.06522	5.6
99.04426	5.1
103.05458	3.5
103.56951	2.7
105.07027	33.0
107.04958	64.4
107.08603	23.4
108.05750	4.4
109.06540	29.4
109.10152	17.3
110.07155	2.5
111.04453	45.5
111.08086	4.9
113.06004	5.1
115.05416	4.7
117.07034	24.0
119.08578	28.9
121.06499	20.0
121.10139	8.6
123.04459	6.9
123.08060	10.6
125.06009	3.8
127.03835	3.1
127.07574	2.9
128.06238	5.5
129.07037	14.3
130.07678	2.6
131.08611	26.1
133.06494	11.8
133.10146	19.0
135.08041	20.6
135.11646	10.1
137.06001	6.2
137.09613	10.7
139.07529	3.4
141.06963	5.6
143.08546	12.1
144.05699	2.9
145.06461	6.5
145.10129	17.2
147.08066	13.7
147.11678	6.6
149.05966	7.4
149.09618	11.4
149.13158	2.9
151.07529	9.7
155.08536	9.2
157.10150	11.4
159.08031	27.7
159.11696	10.2
160.12489	2.9
161.09579	14.7
161.13374	3.1
163.07553	12.3
163.11169	10.8
165.09062	4.9
169.10204	5.5
171.11673	11.5
173.09633	11.4
173.13264	6.1
175.11194	4.7
177.09134	7.8
177.12704	9.1
178.13469	4.7
181.10150	3.9
183.11728	5.9
185.09705	4.4
187.11133	6.0
187.14836	7.8
189.09076	4.5
189.12726	8.1
193.12274	4.6
197.13269	8.4
199.11180	6.8
201.09146	4.0
205.15935	10.6
213.12666	3.5
215.14301	16.0
225.16296	7.8
233.15340	35.7
235.14760	4.0
243.17427	12.2
253.15961	8.1
261.18555	20.9
271.16934	34.3
275.07803	2.9
289.18027	55.1
363.21667	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93532	2.7
56.96546	2.4
70.06580	3.2
71.51028	3.7
71.93014	5.6
72.08131	3.5
76.72978	2.6
85.02899	5.0
86.09722	13.5
86.56458	2.3
88.03998	3.9
90.94861	3.7
99.94862	3.2
106.88459	2.9
119.01946	3.4
132.10162	2.8
132.95853	3.9
135.22426	2.7
152.05690	8.9
161.02994	5.4
163.03873	4.8
172.76784	3.1
173.01399	3.0
174.04001	7.1
191.02473	3.0
199.41930	2.7
200.75191	2.9
220.28874	2.4
231.05505	5.4
273.08069	3.0
363.06879	100.0
363.12491	20.7
365.70157	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	363.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01840	0.6
55.05508	0.8
57.03445	2.8
57.07067	0.6
61.02924	1.5
67.05495	0.6
69.03431	17.0
69.07045	0.6
69.83298	2.0
70.06587	1.8
71.04995	5.5
78.55077	0.5
78.98472	0.4
81.03420	27.5
81.07034	0.8
84.08125	0.6
85.02906	54.3
86.09727	1.1
91.05492	0.7
95.08580	0.8
97.02888	4.8
99.04458	32.1
103.03945	58.1
109.02886	23.6
109.10172	0.6
115.03967	0.5
127.03921	100.0
128.04323	0.5
129.10208	0.7
137.05913	0.5
145.04967	12.3
163.06020	1.3
181.04951	0.7
187.06023	10.7
192.55431	0.5
253.07082	3.8
261.13434	0.6
271.08096	2.9
363.11469	0.5
363.16287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01869	8.4
55.05508	28.9
57.03442	77.7
57.07076	4.6
59.63387	4.1
67.05508	53.4
69.03452	8.4
69.07072	12.0
71.04998	5.4
71.52108	6.5
75.04481	3.7
79.05501	34.6
81.03421	6.1
81.07066	54.9
83.04994	58.9
83.08622	9.7
84.08179	4.6
85.06554	8.1
87.49529	3.5
91.05485	56.0
93.07051	41.9
95.04977	24.8
95.08610	37.8
97.06509	8.9
99.04461	9.6
103.05453	5.7
105.07027	40.0
107.04960	53.8
107.08595	28.7
109.06550	29.0
109.10156	20.7
111.04439	37.7
111.08112	4.7
113.06013	4.2
117.07030	24.9
119.08597	38.4
121.06497	22.6
121.10173	15.8
123.04421	6.8
123.08060	23.5
125.05981	9.7
128.06253	5.2
129.07018	14.2
131.08598	28.4
133.06512	16.3
133.10150	16.4
135.08083	24.0
135.11697	9.4
137.06032	4.8
137.09631	12.3
139.07553	5.0
141.06975	4.8
142.07759	5.1
143.08598	14.8
145.06506	14.4
145.10149	15.0
147.08057	28.2
147.11638	5.7
149.05981	5.0
149.09634	14.8
149.13345	3.8
151.07568	31.4
151.11208	5.3
155.08591	7.6
157.10127	10.2
159.08067	41.1
159.11685	7.5
161.09634	20.7
163.07552	10.0
163.11206	14.2
165.09149	17.3
167.08577	6.0
169.10216	6.7
171.11697	12.2
172.39201	3.7
173.09631	14.2
173.13280	4.6
175.11171	10.9
177.09128	5.0
177.12788	7.2
179.14343	5.3
181.12300	5.1
183.11646	5.6
185.13321	6.4
187.11217	6.5
187.14804	6.0
189.12740	8.6
191.10756	6.4
193.12282	5.4
195.11806	5.1
197.13235	9.0
199.11269	7.1
201.09181	6.1
205.15932	12.3
207.13853	15.2
211.14787	3.8
215.14304	16.2
225.16422	5.3
233.15378	37.3
235.14966	3.8
243.17508	10.1
253.15924	6.9
261.18497	16.0
264.42209	3.5
271.16910	31.2
285.88147	3.8
289.17953	46.5
327.19553	4.5
345.20544	10.7
363.17419	6.0
363.21667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	7.6
55.93536	8.8
65.52412	7.8
70.06587	19.6
70.79320	20.6
72.08132	11.3
84.08128	13.8
85.02891	13.3
90.96689	8.6
94.27581	7.7
113.95570	8.2
114.32951	8.0
118.08674	13.1
136.06137	12.3
159.00555	55.5
200.03221	17.4
241.89154	28.6
242.89990	16.6
280.44168	8.3
283.90244	100.0
295.90170	30.7
343.92221	32.3
361.93100	13.4
362.08401	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	362.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98804	1.5
55.01860	4.3
55.05493	5.8
57.07080	46.1
67.05515	9.2
69.07075	17.0
70.06606	2.1
70.68976	2.5
71.04972	1.9
71.06968	1.4
71.08641	7.6
72.08158	16.8
74.09724	100.0
79.05476	7.3
81.07056	16.3
85.06589	1.8
86.06065	4.0
91.05476	5.6
93.07062	13.0
95.04971	15.6
95.08607	16.6
97.06532	5.7
99.08090	5.2
105.07029	7.0
107.08592	12.9
109.06510	23.4
109.10133	6.0
111.07981	1.8
119.08578	5.0
121.06495	3.8
121.10153	2.9
123.08097	1.3
123.11680	1.8
131.08586	5.7
133.10162	7.8
135.08025	2.4
135.11736	2.2
137.09622	1.6
137.13380	1.2
138.12773	3.0
142.12253	6.9
145.10121	5.0
147.11670	4.5
149.13251	4.4
156.13806	2.0
159.19333	1.5
159.23386	1.3
160.10201	1.4
163.14830	2.1
165.12762	92.2
170.15472	1.8
173.13254	8.5
175.11169	4.0
179.14275	1.4
180.82574	1.5
183.11713	2.3
183.36584	1.4
184.13370	10.1
184.16972	2.6
191.14346	8.6
201.12750	7.9
208.17033	3.1
210.18575	9.9
229.19533	3.7
235.12900	1.5
240.19591	6.2
248.20099	7.8
264.23233	28.2
271.20569	8.5
289.21622	9.9
306.24081	1.8
344.29550	7.1
362.30502	88.1
363.30762	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1132
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
51.13187	1.0
53.03934	4.1
55.05508	1.4
61.02933	1.4
62.60093	1.1
62.97372	1.0
65.03944	1.2
67.05500	3.4
69.03430	4.0
70.06586	4.5
71.28846	1.1
72.08167	1.7
73.02895	1.1
81.03424	3.5
84.04511	1.3
84.08149	2.1
85.02895	5.0
85.14604	1.2
86.09711	4.1
93.07058	1.4
95.04978	24.8
97.02934	3.0
99.04502	1.4
101.06047	1.7
105.04498	2.3
109.02878	2.1
111.04482	1.7
121.02910	1.8
123.04438	15.9
123.63956	1.1
125.02361	10.4
127.03932	5.0
129.10196	1.4
135.04556	1.1
139.03873	1.5
140.04697	100.0
147.04425	5.2
155.07036	44.9
163.03925	2.2
167.03403	2.4
167.07042	1.9
169.02621	2.5
173.08076	3.5
181.04987	10.9
190.85040	1.2
199.06039	73.0
215.01755	2.3
259.11792	1.4
283.88443	1.2
361.14655	9.3
361.18539	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	361.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05505	2.2
56.05028	1.2
57.03442	1.9
57.07078	1.1
59.05015	1.7
61.01159	1.3
61.02930	11.4
67.05511	2.0
69.03433	15.8
69.07069	2.3
70.06596	7.0
71.03194	1.8
71.05007	1.6
71.25214	1.1
72.04490	1.8
72.08160	4.3
79.05489	3.3
79.27493	0.8
81.03408	3.1
81.07070	7.3
81.74186	0.9
83.04990	5.4
84.04501	1.8
84.08147	5.7
85.02912	20.8
85.06563	1.2
85.08501	0.9
86.09701	2.9
87.04459	1.3
88.02245	1.2
91.03955	1.4
91.05493	2.7
93.07051	5.4
95.04957	1.2
95.08641	5.9
97.02905	5.5
97.06541	5.4
97.10181	1.0
97.76545	0.9
99.04467	1.9
99.05571	2.0
101.02370	1.5
104.61101	0.9
105.07037	4.0
107.04954	2.0
107.08588	3.2
109.02871	1.1
109.06526	1.4
109.10185	2.5
110.07166	1.2
111.04478	1.1
113.05993	1.3
115.07545	1.7
117.78230	0.9
119.04976	1.0
119.08573	1.6
120.08113	3.3
121.06506	1.9
121.10150	33.3
121.11053	1.6
123.04444	3.8
123.08076	4.3
123.11711	1.1
125.05955	1.3
127.03930	4.9
128.28178	1.0
132.04799	1.4
135.04393	1.8
135.11717	2.3
137.06024	1.5
137.09645	2.5
139.11182	67.3
142.08656	1.5
145.04984	7.1
145.10092	3.4
147.04379	1.9
149.09718	1.1
151.07526	1.3
154.05000	1.0
163.03926	5.6
163.06000	1.2
163.07552	1.5
163.11172	5.7
166.95155	0.9
181.04944	3.7
181.12228	13.7
192.07346	1.3
199.13304	100.0
207.06462	1.8
208.09592	1.5
209.10010	2.0
215.01671	2.3
237.02869	1.0
270.08353	0.9
300.06342	1.1
343.13824	1.3
361.10278	1.4
361.14337	15.6
361.18524	1.9
367.07086	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01869	1.7
55.05513	7.0
57.07070	1.7
67.05513	3.2
67.28400	0.5
69.07069	2.7
70.06596	39.2
71.08637	3.0
72.08158	100.0
79.05476	2.8
81.07060	4.3
85.06544	0.8
91.05494	2.1
93.07055	3.5
95.04974	4.2
95.08595	5.6
97.06544	1.7
98.05428	1.3
98.06059	25.0
99.08105	2.2
105.07062	2.2
107.08594	3.2
109.06531	7.4
109.10155	1.4
119.08589	2.4
121.06543	0.9
121.10140	1.3
126.09158	2.5
131.08563	1.6
133.10117	2.8
135.08092	1.4
140.10722	7.2
145.10115	0.8
147.11728	1.1
149.09602	0.8
149.13261	1.4
154.12253	3.3
159.11713	1.1
165.12759	34.1
168.13867	1.5
173.13281	2.0
175.11133	0.9
180.13872	0.9
191.14354	1.1
201.12784	2.0
206.15384	1.3
208.17003	5.7
210.18552	0.8
220.17029	1.5
229.19522	1.3
238.18022	5.1
246.18575	4.8
262.21667	18.5
271.20602	2.9
289.21683	1.9
291.23215	1.2
342.27997	4.8
360.28979	41.9
360.37012	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	361.0919
Annotation	Quercetagetin 6,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
65.02673	0.3
70.77531	0.8
93.06949	0.4
117.48164	0.3
137.05966	0.4
139.00186	0.4
144.92242	0.3
151.03914	4.3
151.04968	0.4
153.01770	0.7
177.05391	1.4
183.02760	1.2
194.02075	0.3
199.02400	1.5
201.01898	0.3
201.05345	0.5
205.04883	0.7
215.03296	1.0
219.06538	0.7
229.04904	1.4
232.03743	1.5
233.04381	1.3
243.02885	1.1
247.06001	3.7
257.04385	1.3
258.05310	0.4
260.03183	3.9
261.03851	1.2
275.02631	0.5
275.05515	9.0
275.08450	0.6
285.03867	0.4
286.04794	0.3
287.05493	0.7
288.02658	2.1
302.04214	0.3
303.05002	16.2
304.05527	0.4
315.04901	0.5
316.02158	3.2
317.06473	0.6
329.06580	0.6
330.03714	0.3
331.04477	33.7
332.04794	0.6
345.06125	1.3
346.06842	56.5
347.07227	0.8
353.68124	0.3
361.09186	100.0
362.09494	1.6
369.63159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75645	3.0
55.01865	7.7
55.05307	3.3
55.05513	32.5
59.05000	7.1
65.44727	3.2
67.05508	100.0
68.13895	3.1
69.03416	8.6
69.07074	30.9
70.25864	8.0
70.26224	6.5
71.04993	6.8
79.05497	38.3
81.07055	59.7
83.04964	8.1
83.08615	23.2
85.06553	5.9
91.05486	31.4
93.07045	41.6
95.04964	4.1
95.08619	41.9
97.06520	9.2
97.10174	22.3
99.08065	4.0
105.07050	28.5
107.08595	60.8
109.06536	6.9
109.10162	84.7
111.08054	10.6
117.07018	11.1
119.08577	26.8
121.06500	7.4
121.10145	13.2
125.09630	28.7
131.08574	15.0
133.10123	23.7
135.08015	7.2
135.11691	9.3
137.09607	9.2
139.07542	6.2
143.08453	4.4
145.10117	12.7
147.11697	9.3
149.09633	9.1
149.13257	11.0
153.09146	4.5
155.10654	23.2
157.12282	3.3
159.11700	17.7
161.13101	3.8
163.11111	4.7
165.12784	3.0
171.11618	5.9
173.11754	61.6
173.13184	5.8
177.12747	7.7
181.12231	3.5
183.46643	3.4
187.13280	50.9
195.13766	20.2
203.12827	22.2
213.14833	5.0
227.16389	11.0
229.19417	3.8
237.15002	3.3
257.19022	10.2
275.20096	61.6
289.21539	10.8
293.21313	4.6
307.22800	16.6
360.22699	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46684	3.2
53.03933	4.2
55.05517	32.9
57.03445	3.9
57.07075	3.5
67.05513	62.1
69.03427	6.8
69.07066	31.5
70.12625	5.6
70.12987	17.4
71.04993	100.0
73.06560	5.5
79.05491	60.5
81.07060	60.5
83.04987	6.4
83.08617	22.7
85.06498	6.1
91.05488	32.1
93.07049	63.7
95.04947	6.7
95.08613	45.0
97.06529	14.8
97.10164	19.4
105.07024	28.3
107.04977	6.1
107.08587	57.9
109.06554	8.0
109.10159	46.8
113.09558	4.0
117.07052	8.9
119.08586	19.4
121.10139	53.7
123.11720	9.4
125.09653	22.3
131.08589	13.1
133.10136	20.9
135.08075	7.9
135.11687	14.5
145.10162	11.7
146.35178	3.6
147.11716	10.2
149.09602	8.4
149.13245	6.5
153.12762	38.2
155.10661	15.9
156.71857	3.4
157.10034	5.4
159.11734	10.8
163.11174	7.6
173.11760	56.4
177.12776	9.8
189.11243	25.0
195.13786	22.7
209.15311	7.2
213.14798	6.4
227.16435	57.4
235.16891	5.3
257.19003	11.0
263.34399	3.7
275.20050	65.8
278.21582	3.8
291.19577	4.5
293.20944	6.8
297.71552	3.9
307.22638	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.6
55.05514	35.2
57.03453	4.6
57.07067	4.8
66.97267	3.4
67.05510	100.0
69.03428	4.4
69.07078	27.6
70.76741	7.3
70.96701	3.2
71.04977	4.4
76.76181	4.1
79.05492	38.6
81.06600	6.6
81.07064	75.6
83.04973	8.9
83.08627	23.4
85.06541	6.1
91.05493	26.7
93.07034	35.7
95.04969	9.2
95.08172	3.4
95.08630	36.6
97.06496	11.3
97.10164	30.5
103.52945	3.7
105.07049	28.6
105.91879	3.6
107.04975	5.6
107.08606	63.0
109.06507	6.3
109.09476	5.6
109.10165	67.9
111.08057	5.4
117.07036	8.7
119.08584	30.7
121.06499	5.6
121.10128	14.5
123.11694	7.4
125.09648	26.4
131.08553	13.0
133.10132	21.4
135.08055	7.8
135.11674	11.3
137.09637	5.1
145.10147	17.5
147.11685	13.5
149.09625	11.4
149.13223	20.8
153.09129	8.5
155.10707	30.0
157.10117	4.5
157.12224	4.2
159.11691	17.6
161.13252	6.2
163.11185	9.6
171.11728	4.4
173.11769	76.8
173.13228	5.1
177.12794	10.0
179.14169	4.4
183.91533	4.2
187.13310	62.6
187.14836	4.7
195.13847	25.9
203.12778	34.3
227.16418	13.4
229.19646	5.1
239.18076	7.1
257.19006	15.9
275.20111	62.5
289.21622	12.6
307.22580	24.8
319.21152	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97238	0.4
53.45813	0.4
54.70865	0.4
55.64305	0.4
61.02930	0.5
65.03938	0.6
69.03426	0.9
69.56788	2.2
69.57197	0.6
76.52489	0.5
85.02922	2.8
85.49174	0.5
86.09726	2.3
94.90356	0.4
97.02910	0.7
101.01241	0.4
109.02898	0.5
121.02879	1.9
127.03958	0.6
127.10124	0.4
133.02876	1.9
135.04433	1.6
149.02359	100.0
150.02707	0.9
163.03925	68.2
164.04259	0.5
180.08748	0.8
181.04971	32.2
307.58066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05495	0.9
56.05023	0.6
57.03413	0.7
57.55005	0.4
60.04518	0.9
61.02922	0.9
65.03906	0.5
69.03423	1.9
70.06587	3.3
70.63201	0.5
70.63531	0.7
71.04992	0.4
72.08159	4.3
74.09683	0.4
74.63521	0.4
79.05490	1.0
79.94907	0.5
81.03406	1.3
84.04507	2.4
84.08144	4.1
85.02444	0.5
85.02908	6.3
85.08512	0.4
86.09708	4.7
87.04430	0.6
89.03923	3.2
89.04394	0.6
90.05466	0.4
91.05478	1.4
96.04488	0.4
97.02878	2.0
99.04495	0.4
102.05497	0.4
107.04932	2.0
107.08588	1.6
108.08923	1.1
110.07164	1.4
117.03378	5.1
117.63017	0.4
119.08595	0.5
120.08089	0.7
120.99552	0.6
123.04419	0.9
127.03908	1.5
129.10236	2.3
133.10141	0.7
134.10448	0.4
135.04417	14.4
136.07535	0.7
137.05984	0.6
138.02203	1.1
139.03877	0.6
145.02863	11.0
145.04913	0.9
147.04372	0.5
163.03903	100.0
164.04193	0.6
165.09106	1.0
174.96864	0.5
181.04955	39.2
197.11678	1.0
198.12068	3.0
212.60114	0.4
215.13942	0.9
219.81770	0.4
243.13423	0.7
294.25598	0.5
360.11270	0.6
360.16620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01867	3.5
56.05028	2.6
57.03422	7.7
61.02910	10.6
69.03434	22.5
70.06592	3.7
70.35345	7.1
70.35696	2.9
71.78252	2.4
72.08138	3.4
73.02911	3.7
77.65763	2.4
81.03411	8.7
84.08126	8.3
85.02908	99.9
86.09718	17.3
89.03928	2.8
91.03944	6.0
91.05483	5.1
93.03396	8.3
95.04894	2.5
97.02892	26.9
99.04442	6.3
105.07026	3.7
107.04964	4.8
109.02859	5.8
111.04434	16.9
115.03940	3.8
117.51802	2.6
119.04913	3.0
127.03938	23.0
135.04413	30.7
137.05939	3.6
139.03903	54.9
145.02820	3.9
145.03935	3.6
145.04980	37.2
147.04396	6.9
163.03946	22.6
163.06024	5.6
173.32411	3.1
177.05424	5.1
179.03456	5.7
180.08730	13.6
181.03409	5.5
181.04967	100.0
181.06551	5.5
198.07646	6.3
199.18079	3.2
322.82260	2.7
360.13211	17.4
360.17981	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
57.03442	1.1
61.02931	1.8
61.94030	0.4
69.03431	2.9
69.07090	0.4
69.98071	1.8
70.06593	1.3
71.04987	0.5
72.08161	1.1
73.02910	0.6
79.05498	0.9
81.03412	1.6
82.77353	0.3
84.04490	0.4
84.08134	1.1
85.02917	13.0
85.03442	0.7
86.09717	1.4
87.04478	0.8
89.03920	2.9
91.05460	0.5
92.57790	0.3
97.02904	3.7
99.04469	0.7
107.04948	1.5
109.02910	0.7
110.07164	0.5
117.03387	5.7
119.04907	0.5
120.08087	0.4
124.32329	0.4
127.03926	2.9
130.15941	1.2
135.04430	13.5
136.07597	0.4
137.05975	0.9
139.03964	0.8
145.02859	12.2
145.04933	3.8
147.04442	1.1
163.03920	100.0
164.04243	1.3
170.95091	0.4
180.08725	1.4
181.04976	48.8
182.05304	1.0
208.09694	0.5
215.14114	0.4
217.09538	0.4
261.65503	0.4
325.09140	0.5
330.11060	0.4
360.13263	0.7
377.09753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.36226	0.6
55.40095	0.7
57.03439	0.7
61.02940	1.3
65.21952	0.6
69.03418	2.8
69.45248	4.6
70.06612	1.2
79.05496	1.1
81.03392	1.8
81.07072	1.7
85.02533	0.7
85.02914	9.0
91.05463	2.6
93.07050	5.2
93.07581	1.0
95.08604	0.8
97.02895	2.4
98.21447	1.4
105.07050	5.9
105.93430	0.6
107.08602	30.9
109.02874	1.2
109.06530	1.1
109.10184	1.9
119.08604	4.5
121.06546	0.7
121.10146	5.7
123.08121	1.0
127.03920	1.0
133.10130	18.9
137.05975	1.2
137.09514	0.9
139.07581	1.8
143.08522	0.9
149.09663	3.4
151.11183	7.7
161.09642	4.9
167.10689	12.8
179.10660	14.0
196.49861	0.7
197.11742	100.0
198.12012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.3
55.40446	2.3
57.03426	8.2
61.02931	11.3
65.03963	2.1
69.03434	25.6
69.07059	5.6
70.06583	12.9
71.04980	3.2
71.51689	3.6
72.08148	8.1
73.02939	3.1
81.03410	7.4
84.04537	2.4
84.08130	8.5
85.02912	94.3
86.06052	2.8
86.09711	82.4
87.04411	2.6
90.09484	2.1
91.03946	5.8
91.05477	6.5
92.89039	2.5
93.03400	7.6
93.92445	2.3
97.02894	33.3
99.04435	6.1
102.05487	2.4
107.04967	3.7
109.02856	9.9
109.06476	2.8
110.07166	5.9
111.04436	22.9
112.08748	3.0
114.05513	2.5
119.04919	4.4
120.08049	2.6
127.03915	27.8
129.10223	4.9
131.04933	4.4
135.04413	35.1
137.05966	3.3
139.03908	57.9
145.04961	40.9
147.04433	8.5
153.05388	2.2
163.03900	30.7
163.06026	5.6
163.07397	5.4
169.02615	5.5
177.09081	2.9
180.06531	4.6
180.08717	17.0
181.04953	100.0
182.05299	4.2
198.07597	6.0
199.18053	23.9
204.57304	2.2
223.07507	3.2
227.17482	10.7
247.12929	7.4
300.06207	2.5
360.13416	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	359.1704
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03939	0.7
53.05348	0.5
53.19855	0.5
55.05505	0.6
55.17481	0.5
59.04982	0.7
61.02913	1.2
61.31658	0.6
69.03419	2.5
69.07058	1.1
69.61985	3.9
69.76420	0.5
70.06603	0.7
72.08143	0.8
79.05502	1.0
81.03398	0.8
81.07054	1.4
82.75864	0.6
84.08143	0.8
85.02425	1.1
85.02909	10.6
86.09711	4.1
91.05492	3.2
93.07054	5.3
95.04988	1.3
97.02892	2.3
99.04456	1.1
105.07029	4.4
107.08611	17.3
109.02869	0.9
109.06522	0.7
109.10142	1.9
119.08601	1.9
121.06511	2.0
123.04478	0.9
123.11669	0.7
127.03942	1.2
133.10147	17.5
135.08124	0.7
135.11703	17.9
137.05992	1.1
137.09674	1.2
145.04961	1.4
151.11185	1.6
161.09650	9.9
174.12383	0.5
179.10698	32.9
197.11752	100.0
198.12195	0.9
200.14029	0.6
228.13531	0.8
246.14551	0.8
359.16681	1.1
359.22409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17328	6.9
53.03898	6.3
55.05503	20.8
66.29482	6.5
66.96058	6.5
67.05498	22.0
69.07074	11.5
70.47659	20.1
71.63615	5.8
74.69584	6.3
79.05505	16.1
81.07061	26.9
83.08608	25.9
85.02919	12.8
87.04448	6.4
90.53754	6.2
91.05474	16.7
93.07047	24.8
95.04980	13.4
95.08608	13.9
97.06532	36.2
105.07041	17.8
107.08640	13.0
109.06522	12.3
109.10148	11.1
111.08044	7.2
117.06951	7.0
119.08590	11.3
121.10140	18.3
131.08536	7.1
133.10101	16.2
135.11684	12.4
147.11667	12.2
149.09610	6.5
149.13240	11.7
157.10098	7.9
265.81320	6.6
271.35117	7.8
277.21661	67.0
295.22696	100.0
304.67856	6.6
320.19208	7.7
326.52658	8.0
358.17126	20.6
358.24786	9.0
358.29471	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	359.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
55.01875	1.6
55.05513	1.8
58.39005	1.1
67.05514	1.7
69.07072	2.2
71.52409	1.4
75.23687	1.0
77.03963	1.0
79.05487	4.6
81.07071	3.3
83.05006	1.4
91.05476	4.5
93.07043	3.0
95.04952	3.4
102.17748	1.2
102.73902	1.0
105.07043	4.8
107.05020	2.0
107.08597	2.7
109.06527	2.5
109.10172	2.3
115.05460	2.1
119.08585	4.1
121.06532	3.0
121.10141	1.7
123.04408	1.3
123.08082	1.4
125.06012	1.7
128.06194	1.6
131.04887	1.3
133.10175	3.0
135.08047	1.6
137.05981	30.0
143.04942	3.3
143.08577	1.2
145.10106	1.8
146.03650	2.6
147.11649	1.9
149.05974	3.0
151.03903	3.7
151.07555	2.1
153.07051	1.3
159.11668	1.4
161.05988	24.6
161.09615	1.4
163.11276	1.3
165.06981	12.6
167.07129	2.2
167.08549	2.1
167.10806	1.5
173.13211	1.4
175.07532	3.1
177.05528	1.3
179.07112	2.5
179.08569	5.2
181.06523	2.1
182.07214	5.9
187.11201	1.2
188.04710	7.3
189.07045	1.4
191.07066	5.1
193.06485	14.7
194.07193	3.0
195.08070	2.1
196.08875	1.4
197.09628	4.2
199.07520	1.8
203.07057	14.5
205.08661	2.1
206.07303	1.2
207.08070	4.2
209.06030	1.7
210.06747	17.9
211.07631	2.7
221.06001	23.1
223.07571	1.3
224.08345	7.0
225.09100	30.0
227.07082	4.8
234.06853	3.9
235.07446	4.0
235.09573	1.8
237.05435	2.2
238.06221	10.0
239.07066	3.7
239.10712	4.2
249.09138	4.4
251.07140	3.3
252.07762	7.5
253.08614	46.2
254.09294	2.7
255.06552	3.3
266.09579	1.7
267.10162	19.5
269.08047	1.4
270.08984	4.5
273.04117	1.6
277.08606	9.9
280.07352	2.5
285.11218	89.0
294.08734	2.5
295.09695	10.1
302.19962	1.3
309.11203	17.6
311.09344	1.5
312.09991	2.5
327.12283	100.0
331.94467	1.1
359.07642	10.6
359.14926	3.3
359.22281	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	357.2639
Annotation	Ligantrol
Peak:m/z	Relative Intensity
55.01881	6.1
55.05517	34.0
59.05000	5.6
59.65778	5.2
62.05177	3.7
67.05511	29.2
69.03423	10.1
69.07074	60.2
70.06589	8.1
70.45864	9.2
71.04976	6.4
72.08149	4.8
79.05486	17.4
81.03420	9.9
81.07066	100.0
83.04987	13.0
83.08616	10.0
84.08121	11.2
85.02912	7.7
85.06558	20.9
86.06095	4.6
86.09724	4.3
91.05470	30.5
93.07061	39.0
95.04962	11.9
95.08615	63.3
97.06550	11.2
97.10180	62.3
99.04462	5.9
99.08099	12.2
100.11263	4.5
101.30647	4.7
105.07019	30.8
107.08583	34.2
109.02895	7.8
109.06525	15.7
109.10149	33.1
111.08099	24.5
111.11714	14.6
112.00645	4.7
117.07027	7.7
119.08627	21.8
121.06561	4.8
121.10162	33.5
123.04416	18.9
123.08028	10.3
123.11720	59.8
125.09599	9.7
131.08601	9.7
133.10118	17.6
135.04407	4.3
135.08083	5.5
135.11699	25.7
137.05980	18.2
137.09673	8.3
137.13260	10.8
139.11192	44.2
145.06374	4.2
145.10101	6.3
147.04413	11.4
147.11736	25.0
151.11220	8.3
153.12779	15.6
157.12251	36.5
157.76176	3.9
159.11693	10.6
161.09679	6.1
161.13284	7.3
163.11115	6.4
165.12802	9.6
177.05511	12.3
177.12695	4.7
181.05031	6.9
187.07532	4.4
187.13232	5.3
203.12767	11.8
205.04968	73.4
208.43102	4.3
217.04929	8.5
251.16522	8.3
275.23627	7.3
291.23206	16.6
303.23154	39.1
309.24213	10.3
313.20789	4.3
321.24237	70.8
339.25388	9.8
357.13403	9.5
357.20715	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	357.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00019	4.2
53.03940	10.4
55.01879	24.4
55.05518	61.2
57.03429	5.0
66.71655	3.7
67.05508	100.0
69.03416	10.3
69.07080	24.1
70.11086	7.2
70.11485	9.9
71.04993	23.4
73.06540	7.9
79.05492	59.0
81.03407	16.1
81.07063	79.7
83.04988	18.6
83.08619	27.6
84.03395	3.8
85.02918	5.2
85.06529	10.6
91.05483	40.1
93.07045	61.4
93.97095	3.9
95.04974	54.7
95.08613	35.6
96.05744	10.7
97.02937	4.2
97.06521	17.5
97.10175	48.5
101.06018	6.9
103.05421	4.6
104.64138	3.6
105.07045	30.8
107.04945	17.3
107.08588	35.1
109.06519	35.7
109.09483	5.6
109.10163	72.1
111.04417	10.3
111.08098	8.1
115.05408	7.2
117.07030	16.0
119.08592	26.9
121.06540	19.1
121.10184	20.1
122.07252	8.7
123.04394	11.4
123.08070	13.5
125.05962	4.2
125.09635	38.7
128.06200	4.5
129.06973	6.0
131.08545	15.9
133.06511	11.1
133.10109	16.1
135.08008	16.6
135.11678	6.0
136.08813	5.8
137.05954	11.9
137.09619	47.8
138.10390	9.7
143.08510	6.9
143.44777	4.4
145.10120	14.7
147.08032	9.3
147.11700	8.0
149.09637	7.8
149.13263	4.3
151.11183	9.8
153.09074	7.7
156.25008	4.5
157.10178	7.8
159.08017	6.3
159.11681	5.7
161.09608	6.8
163.07535	4.4
163.11131	5.4
169.12248	68.6
171.11601	6.2
175.11211	5.2
177.12718	4.9
181.12175	8.5
185.13339	5.4
189.11240	17.9
193.12204	6.5
195.10106	4.3
209.11652	5.2
209.15277	5.8
221.11833	4.1
233.15625	5.7
235.16891	4.7
239.12814	15.3
253.14339	5.1
273.18344	10.7
275.20251	8.9
289.18039	5.8
290.18686	5.9
291.19464	10.6
307.19073	4.8
339.69702	4.3
357.20721	17.5
357.24579	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	357.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50100	2.3
53.03942	4.0
55.01884	11.2
55.05513	55.1
57.03425	4.6
57.07062	3.2
58.74896	2.1
59.05001	2.7
61.01143	7.1
61.87847	2.0
65.03938	2.2
67.05505	28.3
69.03412	7.0
69.06756	2.0
69.07072	17.2
70.15269	9.7
71.04972	5.2
75.02681	2.8
79.05085	3.0
79.05496	34.8
81.03413	6.9
81.06604	4.0
81.07059	72.8
82.28336	2.3
83.05000	15.8
83.08618	31.4
84.08146	81.3
85.02895	2.4
85.06536	5.4
87.02668	7.7
87.25748	2.3
91.05460	14.2
93.07040	24.7
95.04991	14.4
95.08605	14.8
97.06519	5.1
97.10170	58.1
98.20782	2.3
99.08123	3.1
101.09642	2.7
101.37336	2.2
105.07027	20.8
107.04932	6.2
107.08592	24.8
109.06498	7.1
109.10152	10.1
111.04472	10.2
111.08058	6.3
117.07036	12.7
119.08572	29.8
121.06493	7.6
121.10163	12.0
123.08070	49.5
123.11716	2.6
125.09641	55.3
127.02141	9.6
129.07347	13.5
130.08650	5.5
131.08583	10.1
133.06476	2.4
133.10120	7.5
135.08022	14.7
135.11696	6.1
137.09531	2.4
139.11209	2.4
143.08565	5.4
145.10101	11.8
147.08061	10.3
147.11635	4.7
149.09608	7.5
153.07338	5.1
153.09090	7.7
153.12767	3.8
154.07753	2.4
155.08505	2.3
156.09193	2.2
157.10165	6.7
159.08058	3.3
159.11693	6.7
161.09651	6.0
163.11198	8.7
165.09181	4.1
167.10643	2.3
169.10048	2.7
171.10136	8.2
171.11681	6.1
173.09642	3.3
173.11755	4.5
173.13159	2.4
177.09210	2.7
181.12328	2.4
185.09720	2.5
185.13292	3.5
189.11220	45.4
189.12726	1.9
193.12285	2.8
199.11319	2.5
223.13144	3.7
227.12654	3.2
227.17957	2.3
238.16731	2.8
249.14989	3.8
255.17485	2.9
263.20059	3.1
273.01968	2.0
273.18512	34.7
291.19537	100.0
294.27948	11.6
321.18808	5.3
339.19739	9.5
357.20740	28.1
357.24533	3.7
357.31094	19.4
360.87860	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	357.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
54.87920	0.4
55.01878	1.3
55.05520	1.2
57.03445	1.2
59.88459	0.4
65.03943	4.9
67.05508	3.0
69.03430	2.5
69.07076	2.8
70.06603	0.9
70.36273	1.2
70.46906	0.3
71.05001	8.9
73.45956	0.3
79.05500	4.1
79.97999	0.3
81.03423	5.6
81.07070	1.0
82.00579	0.4
82.04202	2.1
82.46363	0.3
83.08611	0.5
85.02913	3.3
85.06549	1.8
86.09718	0.9
89.02412	0.5
91.05485	0.6
93.03426	1.5
93.07047	1.0
95.04970	2.8
95.08595	0.6
97.02907	0.9
97.06532	3.9
97.92712	0.4
99.04460	33.0
100.11277	1.2
105.04520	0.5
105.07045	1.0
107.08607	0.5
108.02112	0.7
109.02875	2.2
109.06532	0.7
109.10166	0.9
110.03653	2.7
111.04454	1.4
113.06015	7.6
114.09171	1.6
116.67432	0.3
119.08584	0.7
121.04003	0.4
121.10137	0.6
123.00792	0.6
123.04427	2.2
125.02354	0.5
125.05980	1.9
127.03947	0.8
129.10158	0.4
131.08517	0.5
133.10147	0.4
135.08086	0.4
137.06000	1.5
138.03163	1.4
140.04697	8.8
141.05481	11.0
142.02623	2.6
145.10078	0.4
151.61691	0.4
153.05470	1.8
155.07062	3.7
157.10092	0.4
159.06557	3.5
163.11270	0.4
167.03426	0.5
171.06560	3.4
173.47878	0.4
181.04964	100.0
182.05267	1.0
182.15485	0.5
197.90071	0.4
198.10974	0.4
199.06078	3.0
204.06554	0.6
205.04958	0.5
210.14938	0.5
218.66257	0.4
256.59604	0.3
297.09680	7.6
312.89819	0.4
339.10721	3.6
357.11774	19.5
358.12106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01849	0.6
55.05517	4.3
55.67964	0.6
57.03444	0.6
57.07079	1.1
59.04990	1.0
65.03928	1.0
67.05519	3.4
69.03429	0.7
69.07074	4.1
70.06572	0.7
70.73840	1.6
71.04997	15.6
79.05500	10.2
81.03411	0.8
81.07059	10.3
83.04972	2.0
83.08636	1.3
85.06503	0.6
91.05481	19.7
93.07050	13.3
94.20458	0.6
95.04976	1.9
95.08611	6.8
97.06525	2.7
99.04466	0.9
99.08084	0.8
103.05483	1.2
105.07036	53.0
107.08611	9.6
109.02863	0.8
109.06538	1.5
109.10158	3.8
113.09638	0.8
115.05486	0.6
117.07015	3.8
118.07814	1.1
119.08595	9.4
121.06523	0.8
121.10146	7.9
123.08047	0.8
123.11710	2.5
125.09638	16.2
127.03878	0.7
127.11193	0.8
129.07024	1.2
130.07782	1.1
131.08574	11.7
133.10136	100.0
134.10481	0.8
135.08109	1.0
135.11690	1.9
137.06007	1.5
137.09621	1.0
139.11189	1.8
143.08569	0.9
145.10121	11.4
145.11276	0.6
147.08154	0.6
147.11694	8.2
148.11758	0.7
149.13254	3.2
151.03914	1.1
151.05083	0.7
151.11212	0.6
157.10139	0.9
159.11697	10.5
161.06030	1.1
161.13245	3.4
163.03891	0.8
163.11206	1.1
165.06898	0.6
172.04025	0.8
173.09656	0.7
173.13310	2.6
181.05069	0.9
187.07756	0.5
201.16385	9.6
204.06668	0.8
216.59001	0.6
219.17444	9.3
222.06972	0.6
242.99245	0.7
265.08701	1.9
297.11224	3.2
299.05469	0.9
335.89001	0.6
339.11969	0.8
357.13425	1.6
357.20645	1.7
375.68652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00919	44.9
67.05479	48.9
70.06589	43.7
77.92567	47.2
79.05478	59.8
81.07038	94.7
91.05466	42.9
93.07096	49.9
95.08615	100.0
95.73708	41.6
97.83581	47.5
119.08560	52.5
133.10149	54.0
135.01076	59.2
164.04327	45.9
198.07030	39.6
211.44724	45.7
268.97772	44.2
361.27618	48.8
362.71497	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75431	0.8
63.65162	0.7
65.03926	0.9
70.01006	3.9
70.06609	1.5
82.54672	0.8
90.13470	0.7
91.05485	15.2
98.63756	0.7
106.09332	0.7
115.17445	0.8
119.04946	32.2
121.06482	1.6
135.02390	0.9
147.04419	100.0
147.43213	0.7
148.04756	1.5
163.03894	2.6
165.04291	1.0
181.04950	1.4
357.21417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73792	0.8
65.03945	2.3
70.55808	2.4
77.36787	1.1
84.85437	0.9
85.37324	0.9
91.05482	17.6
119.04948	30.7
147.04417	100.0
148.04756	2.8
152.89931	1.1
155.31602	1.2
181.04935	5.0
196.03748	0.9
278.24496	0.9
332.21475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01863	3.5
55.05510	26.5
67.05506	36.1
69.07068	17.6
70.06590	2.5
71.05001	21.0
71.52322	3.7
72.08147	5.8
73.06544	2.6
78.67825	2.4
79.05493	30.7
81.03403	5.4
81.07061	45.2
81.75547	2.9
83.04957	6.4
83.08626	22.7
85.06534	3.8
88.07639	4.1
91.05491	26.6
93.07040	33.5
95.04967	23.0
95.08598	28.7
97.06518	8.6
97.10152	8.0
103.05381	2.2
105.07034	30.1
106.15599	2.5
107.04941	10.1
107.08601	24.8
109.06523	6.8
109.10168	14.5
111.08098	3.8
113.09669	4.8
117.07020	14.7
119.08595	26.3
120.78753	2.7
121.06497	8.4
121.10152	20.0
123.08062	8.1
123.11687	5.0
125.09624	6.8
129.07011	5.5
131.08592	16.0
133.10132	22.2
135.08060	6.8
135.11723	13.0
137.09590	8.2
139.11183	2.4
143.08502	4.0
145.10110	21.0
147.08052	3.7
147.11691	14.8
149.09622	22.8
151.11153	5.9
153.09061	2.9
157.10120	7.1
159.11699	16.9
161.09662	2.7
161.13234	7.2
163.11154	24.9
165.12762	6.6
169.10121	4.3
171.11670	4.2
173.09645	4.5
173.13284	5.9
175.11133	5.2
175.14769	3.3
175.87558	2.9
177.12778	6.1
191.14313	6.6
201.12469	2.5
203.12669	4.4
215.14351	2.4
229.15796	2.9
237.14854	10.9
239.17926	11.3
247.20615	5.6
247.24490	2.6
257.19028	20.3
275.20065	100.0
289.21582	9.9
307.22739	42.8
329.98672	3.0
338.34189	5.1
356.24536	3.5
356.28665	13.6
356.35236	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05506	1.5
56.05036	0.8
57.03435	3.6
57.07082	2.0
57.77341	0.5
61.02918	2.0
62.31359	0.5
67.05508	3.3
69.03432	4.0
69.51454	3.5
70.06593	2.6
71.04984	1.5
72.08163	1.2
73.02919	0.9
81.03413	1.8
81.07037	0.9
83.04981	1.2
84.08163	1.6
85.02912	11.5
85.06533	0.9
85.10183	6.4
85.29488	0.6
85.30017	0.5
86.09711	3.3
87.44324	0.5
91.03941	0.8
91.05484	1.5
93.07076	0.8
95.08609	47.1
96.08940	0.7
97.02886	2.7
97.06556	1.0
98.21436	0.7
99.04472	1.1
105.03403	1.7
106.03726	1.1
109.02877	1.1
110.07189	0.7
113.09648	70.8
114.09987	0.8
119.04945	1.2
120.08117	1.7
123.08085	8.0
127.03947	2.1
131.10683	100.0
132.11078	0.7
136.07559	0.8
141.09087	5.8
145.04948	2.2
147.04413	8.2
148.13660	0.5
159.10161	1.4
163.03922	2.4
164.04247	3.2
177.11226	31.9
180.07408	0.7
181.04993	0.6
188.09236	0.6
211.02452	0.9
212.02698	1.5
212.16518	0.8
225.57082	0.5
340.43210	0.6
356.07257	0.8
356.12460	1.0
356.20517	1.0
357.14954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
55.05516	23.7
56.05004	3.1
57.03431	6.1
57.07067	4.3
59.04992	5.1
67.05512	55.3
69.07072	43.7
69.47834	21.3
70.06593	8.8
71.04997	100.0
72.08136	6.6
73.06560	6.7
79.05505	31.1
81.03419	7.1
81.06597	4.3
81.07064	86.2
83.04961	5.8
83.08605	10.6
85.06546	9.9
88.07616	7.9
91.05495	29.9
93.07050	44.1
95.04962	18.3
95.08627	40.9
97.06570	14.6
98.09656	5.5
99.08084	4.1
103.07857	2.8
105.07039	30.4
106.08660	7.0
107.04916	6.2
107.08584	13.3
109.06519	9.9
109.10166	14.5
111.08125	7.2
113.09650	19.1
115.07587	3.3
117.07008	11.5
119.08614	23.6
121.10166	20.2
123.08060	10.1
130.07666	3.1
131.08612	17.1
133.10135	23.6
135.11708	22.2
137.09634	5.7
145.10121	13.5
147.11691	17.4
149.09669	5.3
149.13245	10.2
151.69643	3.2
157.10110	3.4
159.11694	30.6
161.13338	4.8
163.11208	16.5
165.12836	3.4
173.13301	6.1
175.11151	5.8
177.12779	25.1
209.15364	7.2
227.16388	8.3
231.16246	3.5
241.17975	16.1
247.20654	3.2
249.79642	3.2
257.19019	7.3
275.20062	29.9
307.22540	4.6
338.34286	7.8
356.28442	7.4
356.35242	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.5
70.06606	0.5
70.29896	1.2
70.36908	0.4
72.08145	0.4
78.58543	0.4
84.08115	0.6
91.05479	7.9
119.04949	21.2
129.10225	0.4
130.15985	0.5
146.03307	0.4
147.04416	100.0
148.04723	0.8
163.03920	1.6
164.04236	1.7
195.02922	0.5
208.23955	0.3
256.86337	0.4
339.07187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49876	0.2
65.03933	0.3
69.21027	2.7
70.06586	0.3
73.06576	0.5
80.49653	0.2
84.08159	0.3
86.09702	0.3
91.05486	6.4
96.34035	0.3
110.00122	0.2
119.04954	19.4
130.15927	4.0
136.04782	0.3
141.08995	0.3
147.04419	100.0
148.04739	0.8
149.11755	0.7
163.03947	0.7
164.04253	0.7
181.04852	0.4
182.05321	0.5
339.07053	0.7
369.66373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32993	0.4
57.48635	0.4
61.58529	0.4
69.07066	7.2
69.48145	0.8
69.48556	2.4
81.03378	0.4
84.04518	0.6
85.04003	0.5
86.09706	100.0
101.06076	0.8
101.17720	0.5
104.79477	0.4
110.07144	1.0
124.49213	0.5
131.04543	0.8
132.10204	65.2
133.10632	0.5
135.04465	0.7
145.08601	0.5
157.04933	0.5
164.04291	0.6
201.40823	0.5
229.93854	0.4
249.77390	0.5
253.22423	0.5
278.45554	0.5
307.83432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71062	0.3
52.81615	0.3
64.41818	0.3
65.03935	0.5
68.51268	0.3
70.09791	1.3
80.31227	0.3
80.63883	0.3
86.09701	0.4
88.05984	0.3
90.04249	0.4
91.05485	7.9
117.03353	0.5
118.03723	0.6
119.04947	21.8
125.27127	0.3
135.04439	0.7
136.04784	0.6
145.02850	0.5
146.03201	0.8
147.04414	100.0
148.04744	0.7
153.16347	0.3
163.03920	3.8
164.04240	4.5
181.04967	0.6
199.63434	0.3
339.06927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80015	0.3
56.40579	0.3
57.23753	0.2
65.03935	0.5
69.48559	1.4
70.06590	1.1
72.08147	0.4
84.08144	0.5
85.02882	0.3
86.09705	0.9
91.05483	7.4
119.04949	21.0
124.57694	0.3
129.10318	0.2
136.04709	0.3
147.04416	100.0
148.04808	0.6
163.03902	0.5
164.04263	0.6
181.04926	0.3
302.79065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.10201	1.8
52.13873	1.8
55.01854	1.8
55.05516	31.8
57.03425	5.9
57.07075	13.4
62.82790	1.8
67.05506	89.2
69.07072	36.2
70.06592	1.9
71.05003	2.8
71.08639	3.7
72.20708	1.6
79.05497	23.8
81.07059	100.0
83.08615	29.3
85.06532	4.6
85.10183	2.8
88.07663	2.1
91.05474	19.7
93.07048	30.1
95.04976	3.2
95.08608	91.2
97.06531	9.6
97.10182	16.5
99.08067	3.5
105.07032	14.2
107.08606	22.5
109.06519	2.6
109.10160	42.6
111.08060	3.6
111.11704	6.2
113.09702	2.9
119.08580	18.7
121.10144	26.1
123.11716	24.9
125.09563	2.8
127.11219	2.2
133.10136	19.5
135.11690	18.1
137.13234	10.0
139.11052	2.3
141.12791	3.0
147.11682	13.5
149.13287	16.4
151.11137	3.2
151.14824	5.3
155.14203	1.9
161.13286	12.7
163.14812	11.4
165.12775	2.2
165.16373	7.2
175.14827	11.4
179.17889	3.6
181.15845	2.0
189.16408	5.8
245.22665	49.3
263.23712	61.0
337.27408	41.8
355.24036	5.2
355.28534	6.2
355.33960	17.4
366.09265	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	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03940	2.1
55.05513	27.2
57.03448	6.6
57.07079	13.2
65.03942	1.9
67.05509	86.5
69.06732	2.4
69.07074	29.4
70.19617	2.8
70.20015	3.3
71.04984	2.0
71.08632	6.9
79.05497	23.3
81.07059	100.0
83.08633	24.3
85.06542	2.9
85.10176	3.2
88.77360	1.4
90.22984	1.2
91.05481	18.4
93.07047	25.2
95.08615	77.6
97.06539	7.3
97.10180	19.8
99.08108	2.8
105.07027	12.5
107.08600	19.7
109.06506	1.6
109.10162	37.5
111.08085	5.2
111.11716	6.6
112.67821	1.2
113.09680	1.9
119.08588	12.6
121.10149	25.3
121.10959	2.7
123.11716	24.1
125.09715	2.2
125.13311	1.9
127.11127	1.6
133.10132	15.2
135.11700	19.0
137.09685	1.5
137.13280	8.5
139.11212	2.4
141.12733	2.3
147.11659	11.0
149.13261	15.5
151.11208	1.5
151.14822	5.9
161.13258	18.5
163.14801	11.8
165.16420	7.4
167.14349	2.0
172.88182	1.4
175.14790	13.8
179.17972	6.3
189.16415	4.1
203.17911	1.4
245.22656	50.9
247.24200	3.0
248.20541	1.4
263.23700	56.1
281.24844	1.8
302.95898	1.7
326.90466	1.7
337.27377	33.8
344.56036	1.5
350.84940	1.6
355.28470	4.7
356.35312	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
55.05267	3.3
55.05511	31.2
57.03455	8.9
57.07084	14.1
65.03935	3.0
67.05509	85.0
69.06728	3.3
69.07072	33.6
71.04975	2.0
71.08620	5.9
71.52638	2.1
72.08158	1.7
79.05493	22.7
81.07063	100.0
83.04986	2.1
83.08626	33.0
85.06550	3.4
85.10197	2.7
86.75346	1.6
90.66029	1.7
91.05488	23.6
92.09152	1.8
93.07056	31.2
95.04970	2.9
95.08613	88.8
97.06522	10.6
97.10167	20.5
99.08094	6.7
105.07050	15.1
107.08601	22.4
109.06488	2.4
109.10165	50.3
111.08075	5.3
111.11722	6.6
113.09605	2.9
117.05494	1.8
119.08596	14.0
121.10159	30.2
123.11729	24.8
125.09629	3.8
125.13297	2.3
127.11214	3.1
133.10149	15.8
135.11705	19.8
137.13272	9.8
139.14729	2.3
147.11691	13.8
149.13251	12.8
151.14828	5.9
153.12842	2.7
155.14294	2.4
161.13289	16.8
163.14888	12.9
165.16393	8.1
167.14293	3.1
175.14880	13.4
177.16383	5.0
179.17963	3.6
181.15810	2.0
189.16353	6.6
227.13042	1.7
243.63808	2.0
245.22664	58.7
263.23721	66.0
281.24857	2.6
337.27380	43.2
350.14697	2.0
355.28394	7.3
355.36996	3.1
356.35373	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	355.066
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
57.73928	0.4
59.50784	0.3
69.65656	2.2
79.05490	1.1
89.03918	6.8
107.04977	1.7
117.03383	10.1
135.04419	17.5
145.02852	14.5
145.03870	0.5
147.04407	0.4
158.84100	0.4
163.03905	100.0
164.04250	0.7
182.37608	0.3
248.55826	0.4
337.05432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
53.03941	0.3
70.06590	0.7
70.54341	0.3
70.54692	0.7
71.90320	0.2
74.09781	0.2
79.05499	1.4
86.09715	0.9
89.03922	7.8
91.05498	0.6
95.04957	0.3
107.04953	2.6
117.03390	11.4
119.04945	1.6
135.04422	20.3
145.02861	14.2
145.03838	0.5
147.03253	0.4
147.04419	7.6
163.03911	100.0
164.04256	0.8
165.28076	0.2
177.03288	0.4
181.04915	0.5
201.05487	0.7
227.04324	0.2
355.11703	0.3
356.46622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01869	10.2
55.05514	91.9
57.03442	6.7
57.07074	6.7
59.05008	2.9
67.05511	40.0
69.03426	12.8
69.07076	18.7
69.68251	16.5
70.06594	4.7
71.04981	8.3
75.30424	2.8
79.05499	53.3
81.03413	13.2
81.07057	65.0
83.04979	14.1
83.08624	53.3
88.07629	6.3
91.05448	14.8
93.07043	35.8
95.04972	12.0
95.08616	20.1
97.06499	5.0
97.10173	100.0
99.08084	4.8
105.07013	23.5
107.05001	3.8
107.08594	48.2
109.06538	14.3
109.10155	11.0
111.04444	20.6
111.08076	8.7
111.82911	3.2
117.07035	10.3
119.08594	27.1
121.06519	11.4
121.10120	20.3
123.08075	83.1
123.11684	5.1
125.09631	96.4
128.46597	3.1
129.07024	4.4
131.08571	7.5
133.10153	9.3
134.92389	3.0
135.08076	22.6
135.11671	5.2
136.26956	2.8
137.09618	45.3
139.11186	9.0
142.07791	3.7
143.08603	5.2
145.10075	14.7
147.08081	8.9
149.09662	8.7
153.09105	23.6
153.12743	7.7
157.10175	8.2
157.12263	4.1
159.11647	5.1
161.09561	5.3
163.11182	14.1
165.09091	7.1
171.11697	5.6
173.09734	6.4
175.11201	5.1
176.51219	2.9
181.10182	3.9
181.12206	9.7
181.19066	3.2
191.10745	8.9
193.12392	7.9
203.12802	94.7
209.11688	3.9
227.12819	14.9
233.15436	4.4
255.17436	5.3
273.18515	36.2
291.19562	75.7
305.21188	24.2
323.22363	21.7
335.30276	3.5
337.23755	11.8
337.33279	3.7
355.11612	4.8
355.22650	7.3
355.33972	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	355.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70131	0.2
52.98772	0.3
55.01860	0.3
60.76233	0.3
63.02385	0.4
68.32746	0.3
69.03429	0.3
70.74377	0.4
70.74742	0.7
72.08166	1.8
73.02922	0.5
73.04741	0.3
73.08479	0.5
77.60123	0.2
79.05476	1.3
80.98959	0.3
83.01336	0.5
85.02884	0.4
89.03918	8.0
104.07091	0.4
107.04962	2.6
111.04459	0.4
117.02529	0.5
117.03381	10.4
118.08669	1.7
119.08994	0.7
127.03893	0.3
135.04416	20.8
139.03845	0.7
145.02847	13.4
159.60204	0.3
163.03903	100.0
164.04298	0.9
190.37473	0.3
215.97215	0.3
233.98183	0.3
337.05698	0.5
342.12329	0.3
355.06366	2.6
355.10117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01861	0.8
58.74672	0.2
63.02372	0.3
71.08736	0.4
73.02906	0.5
79.05493	1.1
83.01337	0.5
89.03922	7.7
91.05801	0.2
92.16954	0.2
95.01331	0.4
95.04968	0.3
101.02357	0.6
107.04957	2.8
113.06035	0.3
117.03391	11.2
121.02894	0.2
135.04425	18.6
136.04793	0.2
145.02858	13.8
145.03877	0.5
163.03911	100.0
164.04208	1.0
181.04970	0.9
188.42389	0.2
214.64983	0.2
222.56842	0.2
273.46671	0.2
355.06592	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	355.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.3
55.01869	1.4
63.02371	0.3
68.91544	0.3
69.03423	0.5
70.06588	0.4
71.15406	0.4
71.15762	0.6
73.02917	0.7
73.04769	0.4
77.03934	0.4
79.05502	1.6
83.01334	0.9
89.02682	0.3
89.03925	8.9
95.01321	0.6
95.04963	0.3
101.02378	1.0
107.04972	2.7
111.00799	0.4
113.02335	0.3
117.03394	11.4
129.01863	0.4
135.04431	19.9
145.02866	14.7
145.03851	0.4
151.08646	0.4
157.01346	0.3
163.03920	100.0
164.04282	0.6
168.98911	0.3
172.99023	0.3
181.04921	0.6
262.15363	0.4
309.06189	0.3
319.86734	0.3
355.06650	7.7
355.11017	0.5
355.19876	0.8
356.06708	0.3
365.67249	0.3
367.16977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83238	3.7
55.05505	4.4
64.09494	3.7
67.05499	13.4
69.07061	7.5
69.25983	6.7
69.26398	27.3
71.05008	9.8
78.74960	3.4
79.05482	9.9
81.07060	28.5
83.05000	9.9
83.08636	9.3
91.05472	7.5
93.07058	11.7
95.04960	7.2
95.08609	7.8
97.10154	4.6
105.07007	6.8
107.08604	9.5
109.06520	11.5
109.10149	9.9
111.04457	15.1
111.08095	4.4
114.21518	4.3
115.07590	24.7
119.08588	11.8
121.10155	11.8
123.08054	7.9
125.09582	5.4
131.08594	6.2
133.10101	8.4
135.08072	4.4
145.10181	8.3
147.08102	4.3
161.09642	3.9
173.13292	5.2
175.53969	3.9
181.12268	6.6
191.14349	14.9
191.42017	3.5
227.12735	7.3
273.18396	8.7
291.19562	100.0
292.20016	4.2
309.20679	11.9
358.84064	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	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30695	0.5
55.01863	2.5
55.40535	0.5
57.03435	3.0
61.02911	0.6
67.05493	1.8
69.03432	6.3
69.07078	1.0
70.06608	2.8
70.80534	0.6
70.82771	1.1
71.05001	5.3
73.02924	3.8
76.31702	0.6
79.05482	0.6
81.03419	0.9
84.08151	1.9
85.02914	6.1
85.06538	5.8
86.03210	1.0
86.09704	3.0
89.03876	0.7
91.05478	1.0
95.04964	4.6
95.08614	0.6
96.29163	0.6
97.02866	1.8
97.06543	0.7
98.06042	2.0
99.04452	1.4
101.02383	16.9
103.03953	3.2
104.04269	1.0
110.07164	0.9
111.08091	1.3
113.06011	100.0
116.07070	1.0
116.58311	0.6
117.03351	1.0
119.04931	1.7
120.02732	0.5
120.05331	0.9
120.08138	0.6
127.03915	3.3
128.04282	1.9
131.07048	34.9
135.04416	2.5
139.07549	5.3
140.07045	4.8
140.79922	0.5
145.02850	1.7
145.04977	1.3
146.06050	1.9
147.04449	4.3
148.04779	4.6
149.07384	0.7
157.08615	8.7
163.03929	10.6
163.06084	0.7
164.06880	0.5
174.05595	1.4
175.09676	6.2
181.04968	1.1
187.41258	0.6
192.06627	2.5
217.10068	6.3
249.07315	1.3
354.12054	1.7
375.41803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
53.22989	0.2
55.91848	0.3
56.96545	0.3
57.03431	0.2
58.59666	0.3
58.99589	0.6
65.03941	0.4
69.03422	1.0
69.07082	2.0
69.25653	0.2
69.41718	1.1
69.42121	0.7
70.06590	0.7
72.08150	0.6
76.02235	2.0
79.05479	0.3
81.07067	0.5
83.08590	0.4
84.08157	1.2
85.02898	0.9
86.09713	0.9
87.00843	0.8
91.05490	13.4
93.07056	0.4
95.08640	0.6
97.02932	0.3
100.02210	0.9
102.00135	0.7
103.05463	0.4
105.07042	0.5
107.08607	0.4
109.02930	0.5
111.11730	0.8
119.08575	0.3
120.01182	0.4
120.08103	0.5
121.10152	0.4
122.02721	0.7
131.08665	0.3
133.10149	0.3
135.71208	0.3
136.06203	0.3
137.06004	0.3
139.11211	0.9
144.01170	1.9
146.06136	0.4
147.04428	100.0
148.00645	0.7
148.04778	0.8
157.12250	1.1
162.02219	5.9
163.03925	0.3
174.04095	0.3
190.01735	4.2
191.14296	1.3
192.06444	0.3
192.14682	2.1
192.85704	0.3
208.02783	8.5
212.27507	0.3
234.51616	0.3
243.89703	0.2
248.26167	0.3
326.24551	0.3
354.20007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	16.3
57.03441	4.5
57.07071	5.8
67.05515	100.0
69.07063	18.0
71.08614	4.2
71.52883	3.7
71.53350	4.2
79.05083	3.5
79.05504	52.1
81.07066	95.7
83.04996	4.2
83.08635	9.5
84.08201	4.2
85.06547	6.1
85.10190	3.7
91.05492	32.8
93.07057	70.4
95.04977	7.0
95.08066	5.9
95.08620	83.5
97.10183	6.6
105.07047	22.4
107.08616	55.6
109.10183	34.8
117.07012	13.5
119.08605	17.6
121.10154	42.2
123.08052	5.3
123.11755	15.6
131.08585	22.3
131.09407	3.4
133.10138	19.3
135.08075	4.9
135.11714	29.9
137.09592	4.1
137.13274	10.5
143.08507	3.8
145.10159	15.6
147.11700	14.3
149.09619	5.5
149.13284	27.2
151.14833	7.9
157.10133	5.2
159.11705	16.5
161.13286	9.9
163.11168	4.3
163.14865	16.8
168.95428	3.4
171.11813	4.1
173.13295	19.8
175.14844	4.5
177.12729	5.7
177.16409	9.3
187.14890	9.0
201.16342	5.1
233.22725	8.1
243.21095	39.5
261.22189	95.4
279.22964	3.7
310.30063	3.4
335.25922	15.4
353.26672	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	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	2.8
55.01883	1.6
55.05509	10.7
57.03434	3.6
57.07071	6.8
65.03943	3.1
67.05511	74.7
69.07066	12.6
69.93716	7.6
71.04994	2.1
71.08630	4.1
71.63438	1.3
79.05499	51.4
81.07064	78.0
81.49529	1.6
83.04965	2.0
83.08630	8.9
85.06544	4.3
85.10184	2.0
91.05483	27.1
93.07049	73.9
94.95296	1.4
95.04963	3.3
95.08618	62.1
97.06539	3.0
97.10198	3.7
98.21609	1.6
99.08112	6.4
100.09757	1.4
105.07034	21.0
107.08602	40.9
109.06521	3.5
109.10168	26.2
111.08083	2.5
113.09621	3.5
114.19460	1.4
117.07030	10.1
118.52406	1.4
119.08573	13.5
121.10160	37.2
123.08068	2.4
123.11713	15.0
125.09541	1.4
131.08586	21.3
133.10133	10.8
135.08061	2.3
135.11705	28.1
137.09587	2.6
137.13214	7.4
145.10109	15.6
147.11714	10.1
149.09622	2.4
149.13275	24.9
150.40448	1.5
151.14857	3.6
159.11699	14.3
161.09656	1.7
161.13231	10.7
163.11140	2.5
163.14842	21.5
173.13277	17.0
175.14830	4.1
177.12645	2.5
177.16418	8.6
179.14218	2.0
187.14856	7.9
191.14336	3.5
201.16489	3.3
215.17921	1.7
225.81206	1.4
233.22668	7.0
238.99283	1.8
243.21111	41.0
261.22150	100.0
262.22443	2.2
263.23718	2.1
279.23184	2.6
331.93735	1.6
335.25876	6.6
353.26999	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	1.8
55.01871	1.2
55.05518	8.6
57.03428	3.2
57.07066	3.6
57.46993	1.0
58.87083	0.8
65.03937	2.3
67.05510	69.1
69.07080	11.0
70.32491	1.6
71.05007	2.0
71.08619	0.8
71.55527	1.0
79.05499	37.8
81.07063	75.0
83.04961	1.2
83.08612	5.2
85.06549	1.9
91.05490	18.5
93.07047	49.9
95.04958	1.8
95.08616	59.6
97.06523	2.0
97.10191	4.1
99.08103	2.6
103.76208	0.9
105.04545	1.0
105.06386	1.5
105.07037	15.1
107.08601	33.9
107.48526	0.9
109.10168	32.8
111.08068	1.8
113.09677	2.0
117.07043	7.6
118.53260	0.8
119.08582	14.6
121.10157	29.2
123.08109	1.0
123.11723	18.6
125.09653	1.7
131.08577	16.4
133.10138	12.2
135.11707	25.5
137.09645	1.6
137.13249	7.9
137.40149	1.0
139.11177	1.4
145.10143	15.3
147.11673	8.8
149.12199	1.6
149.13277	17.9
151.11235	1.1
151.14740	1.3
153.12729	1.4
159.11708	14.7
161.13277	9.7
163.11169	1.1
163.14813	12.9
165.12756	1.5
173.13286	16.8
175.14848	3.5
177.12889	1.3
177.16383	6.2
179.14304	2.2
181.15996	1.0
187.14844	9.3
189.16364	1.4
201.16396	2.9
205.15781	1.2
217.03566	1.0
219.83908	1.0
233.22655	2.6
243.21101	24.5
261.22162	100.0
263.23718	1.2
279.23190	3.4
287.93958	1.0
302.73291	0.9
335.25830	11.0
353.26889	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
54.77203	0.6
55.05511	12.6
56.82248	0.6
57.03441	6.0
57.07081	4.0
61.20675	0.7
65.03938	3.3
67.05508	94.9
69.07071	13.4
69.27258	2.9
69.27682	3.5
70.63324	0.8
71.04991	2.1
71.08608	1.6
75.04499	1.8
77.03951	0.8
79.05496	38.8
81.07062	100.0
83.04993	0.9
83.08635	8.0
85.06540	3.7
90.47086	0.7
91.05485	19.5
93.07050	53.5
95.04977	2.4
95.08611	71.4
97.06546	3.0
97.10179	2.8
98.20763	1.0
99.08099	2.9
105.07036	17.2
105.28474	0.6
107.08598	35.0
109.06534	1.0
109.10162	37.4
111.08109	1.6
111.11733	1.4
113.09654	1.5
117.07018	8.6
119.08595	13.7
121.10149	32.7
123.08056	1.2
123.11716	22.1
125.09629	1.1
129.07043	1.3
131.08578	19.2
133.10138	12.2
135.08090	1.2
135.11693	24.0
137.09622	1.7
137.13249	7.7
139.11200	1.9
145.10121	12.8
147.11694	12.6
149.09613	1.1
149.13268	18.0
151.14824	3.1
153.12791	1.2
159.11705	14.7
161.13258	11.6
163.11163	1.0
163.14833	13.3
165.12846	1.8
167.89444	0.8
173.13286	15.9
175.14847	3.2
177.12770	1.7
177.16373	5.5
179.14311	1.8
187.14870	9.2
189.16399	1.3
191.14336	1.0
201.16382	2.3
205.15938	2.3
217.19583	1.1
219.17413	1.1
233.22794	3.9
243.21097	27.5
261.22147	95.4
263.23801	1.0
279.23187	6.7
317.24762	1.8
335.25784	17.0
353.26865	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03922	2.7
55.01865	0.8
55.05513	11.4
55.89936	0.7
57.03441	3.5
57.07084	4.2
65.03918	2.7
67.05508	72.9
69.07071	11.7
69.29857	2.9
69.30289	3.1
71.04966	2.8
71.08644	1.7
79.05498	38.4
81.07060	76.6
83.04962	1.5
83.08246	0.7
83.08624	8.0
85.06524	2.9
91.05486	19.6
93.07049	54.2
95.04955	2.0
95.08614	60.4
97.06516	2.7
97.10180	3.5
99.08065	1.9
105.04498	1.0
105.06406	1.2
105.07044	15.0
107.08599	34.2
109.06518	1.3
109.10161	31.8
111.08053	2.0
111.11675	1.0
113.09657	1.2
117.07032	8.0
119.08589	13.9
121.10155	29.9
123.08050	1.8
123.10840	1.1
123.11715	17.1
125.09586	1.1
129.06992	1.0
131.07610	1.7
131.08575	21.2
133.10130	14.0
135.11699	25.2
137.09618	1.7
137.13264	7.5
139.11151	1.2
145.10133	14.9
147.11691	12.7
149.13269	21.7
151.11195	1.2
151.14819	2.0
153.12773	1.8
159.11699	12.3
161.13281	9.0
163.14839	14.7
165.12743	1.8
173.11806	0.9
173.13280	15.0
175.14815	3.0
177.12704	1.8
177.16385	4.3
179.14342	2.0
187.14821	9.5
189.16388	0.9
191.14355	1.3
201.16380	3.3
205.15869	1.5
215.17949	1.9
219.17471	1.0
233.22650	3.6
243.21104	30.0
261.22156	100.0
262.22452	1.5
263.23749	1.6
273.95615	0.7
279.23218	3.3
295.80927	0.7
308.24905	0.7
317.24762	1.1
335.25809	9.5
338.07751	0.8
353.26889	33.8
354.27194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.3
53.03936	3.5
55.05505	13.3
55.63823	1.2
57.03440	6.7
57.07071	3.5
62.75929	1.5
65.03937	4.4
67.05507	88.4
69.07072	11.8
69.96932	4.7
69.97334	3.0
71.04980	2.0
79.05500	38.0
81.07057	100.0
83.04974	2.3
83.08614	8.1
83.98858	1.3
91.05482	18.0
93.07045	51.0
95.04964	2.1
95.08611	73.7
97.06529	3.8
97.10159	5.8
98.21460	2.5
98.67733	1.5
99.08093	2.6
105.07037	15.4
107.07890	2.0
107.08598	35.9
109.10159	41.7
117.07005	9.7
119.08579	13.9
121.09337	2.7
121.10147	28.7
123.11719	22.8
125.09610	2.5
131.08571	16.2
133.10133	12.8
135.11707	26.0
137.09605	1.7
137.13286	8.5
145.10141	14.9
147.11719	12.8
149.13275	21.0
151.11189	1.5
151.14835	2.1
152.17760	1.4
159.11713	13.5
161.13222	10.8
163.11247	1.5
163.14842	13.0
165.04782	1.3
165.12700	3.0
172.87941	1.3
173.13240	13.3
175.14857	4.2
177.16371	5.6
179.14340	2.0
187.14835	8.6
201.16389	2.3
219.17490	2.4
233.22687	5.0
236.14052	1.5
243.21086	28.8
244.24864	1.3
261.22141	93.5
275.13025	1.6
279.23212	7.4
317.24649	1.6
335.25867	16.3
353.26898	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05507	12.9
57.07060	8.5
59.05003	67.1
67.05500	9.8
69.07059	5.4
69.57407	2.8
71.04992	4.8
71.12723	3.5
71.13058	5.9
79.05515	5.7
81.03419	10.0
81.07059	11.2
83.04987	100.0
84.01978	3.0
84.08138	4.6
85.06556	11.8
91.05489	10.4
93.07042	7.9
95.04972	4.8
95.08604	11.3
97.06551	7.9
105.07044	8.0
107.08574	6.3
109.06537	10.0
109.10142	9.4
111.08086	3.6
113.06004	70.6
115.07572	29.7
119.08590	18.5
121.10159	13.8
123.08082	30.3
125.05988	5.3
131.08553	4.5
133.10109	6.8
135.08063	7.1
135.11702	3.7
137.09622	7.4
141.09122	6.6
145.10104	8.0
147.08055	10.7
147.11696	4.4
151.07568	13.4
153.09109	5.9
157.10129	5.4
161.09645	5.9
161.13231	14.0
163.07547	4.4
163.11165	8.4
165.09120	3.2
169.10056	4.4
171.11716	5.2
174.10463	4.4
181.12256	4.4
187.11200	5.0
189.12752	26.1
191.10651	3.1
191.14345	3.0
203.14343	3.8
207.10170	5.5
207.13815	19.5
209.15343	3.6
229.15823	4.9
239.16457	49.7
261.18597	4.8
263.16440	17.0
271.16763	7.3
289.18024	7.6
290.18555	3.9
303.19589	6.6
321.20651	26.4
353.23328	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	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.1
57.03434	1.3
57.07077	31.5
59.04990	3.8
66.42186	1.5
67.05514	12.4
67.52807	1.2
69.07076	11.6
70.63193	1.7
70.63511	2.7
70.94832	1.3
73.06557	6.7
79.05481	2.7
79.36975	1.4
81.07056	31.1
83.08627	2.3
85.02911	2.9
85.06551	100.0
87.76276	1.2
95.08068	2.1
95.08617	22.6
97.10164	4.4
99.08098	21.7
109.10100	1.4
111.11747	2.8
137.13263	22.9
147.04443	9.5
152.07132	1.8
152.49159	1.3
155.14310	63.9
156.14577	1.6
170.04260	1.6
173.15375	15.7
191.16431	47.1
199.42839	1.2
212.13275	1.4
366.68356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.05518	14.4
57.07072	6.3
59.05005	100.0
63.90600	1.9
67.05504	10.8
69.03426	6.6
69.07068	6.2
70.15883	2.1
71.04987	4.7
74.50760	2.0
74.56996	2.3
79.05496	6.4
81.03416	3.9
81.07067	14.5
83.04985	88.3
83.08625	3.5
85.06544	12.0
91.05498	11.2
91.06027	2.7
93.07043	16.2
95.04953	6.5
95.08603	13.8
97.06539	6.7
97.10185	2.1
97.35015	2.4
99.08092	6.4
105.07023	15.4
107.08616	11.8
109.06538	13.2
109.10188	9.6
111.04454	3.5
111.08070	4.5
113.06007	58.7
115.07570	27.9
117.07013	3.6
119.08610	16.2
121.06503	3.6
121.10152	11.2
123.08077	33.3
125.06012	3.6
125.09694	2.3
131.08592	9.8
133.06508	2.6
133.10100	11.0
135.08063	4.2
135.11713	5.3
137.09630	6.2
139.07550	5.4
141.09116	10.8
145.10152	7.9
147.08044	12.7
147.11668	4.3
149.09630	8.4
151.07561	27.3
153.09172	5.0
155.08495	2.5
159.08113	2.8
161.09691	6.8
161.13290	9.0
163.07550	5.6
163.11188	7.3
165.09099	6.9
167.10643	4.2
169.10126	4.1
171.05560	2.2
171.11737	5.6
173.09648	7.2
173.13287	2.3
174.10416	4.2
175.11246	3.2
179.10754	3.5
181.12201	4.7
183.10110	3.2
185.13371	3.2
187.11194	5.5
187.14713	3.3
189.12802	21.4
191.14238	5.1
191.15881	2.6
203.14334	5.0
205.12268	2.7
207.10190	9.9
207.13782	24.9
209.15407	4.7
229.15749	2.6
239.16454	58.6
243.17601	2.6
245.15405	4.2
247.13319	2.4
261.14893	2.7
263.16458	28.4
271.16986	7.7
279.19434	2.4
289.18027	9.5
301.10934	2.6
303.19592	6.0
321.16931	5.6
321.20581	40.4
353.23190	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	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01877	0.6
55.05516	1.8
57.03418	1.3
57.07072	0.4
59.04996	0.5
61.02906	1.0
64.45919	0.3
67.05514	2.3
69.03432	16.5
69.07072	14.7
69.92162	1.2
69.92583	0.7
70.06562	0.5
71.04971	1.4
73.02897	0.8
79.05488	2.6
81.03396	1.6
81.07053	4.9
83.04991	2.7
83.08609	1.4
84.08144	0.7
85.02912	10.6
85.06537	1.3
87.04436	0.7
91.05481	3.6
91.44812	0.3
93.07039	4.4
95.04951	1.6
95.08611	6.7
97.02904	2.1
97.06504	1.5
99.04443	0.8
99.08093	0.6
103.03935	0.4
105.07043	3.7
107.04929	0.4
107.08594	10.4
109.02858	1.2
109.06535	2.5
109.10152	1.8
111.08098	5.0
117.07032	0.6
119.07794	0.6
119.08595	5.8
121.06497	1.5
121.09325	0.6
121.10146	6.2
123.08070	3.9
127.03906	2.9
129.07030	0.6
131.08582	7.9
133.06509	0.6
133.10138	9.0
135.08060	14.8
135.11711	2.8
136.00497	0.4
137.05957	0.7
137.09579	1.2
141.07054	0.3
143.08566	1.8
144.09337	0.6
145.04958	0.6
145.10127	3.8
145.35918	0.4
147.04340	0.4
147.08115	0.6
147.11662	4.1
149.09630	5.2
149.13255	2.9
158.10934	3.1
159.07886	0.4
163.11130	0.6
163.14828	3.1
173.13275	16.7
175.14838	2.0
191.14316	100.0
192.14717	0.7
293.13910	0.5
306.09302	0.5
353.10211	0.4
353.13989	1.1
353.19617	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	353.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
59.04992	0.4
62.65455	0.3
65.03934	1.1
67.05513	0.7
69.03424	0.9
69.07069	0.7
70.06570	0.4
70.64107	0.3
71.52377	0.4
72.08150	0.4
74.54082	0.3
79.05488	0.5
81.03400	0.5
81.07048	0.4
83.04981	0.4
83.08613	0.3
84.08115	0.8
85.02899	0.4
85.06552	0.4
86.09747	0.3
91.05483	11.8
93.07019	0.5
95.04977	0.6
95.08585	0.4
97.06548	0.4
100.11256	0.6
105.07032	0.9
107.08564	0.6
109.06522	0.4
109.10117	0.4
111.04469	0.4
119.04942	24.0
119.08590	0.8
121.06538	0.3
121.10103	0.4
123.08030	0.5
123.11745	0.4
125.05919	0.3
131.08563	0.3
133.10144	0.9
137.05913	0.5
141.39360	0.3
147.04413	100.0
148.04709	0.5
148.70755	0.3
165.02515	0.4
166.17358	0.3
189.03928	0.4
191.06941	0.4
198.44516	0.3
213.60486	0.3
224.80130	0.3
251.15109	0.4
274.12079	0.4
335.07651	1.1
353.14127	0.3
353.19708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01879	0.9
55.05502	1.9
57.03434	1.4
59.05001	0.9
62.42368	0.6
65.03909	0.7
67.05498	2.6
69.03436	16.0
69.07074	16.3
71.04983	1.4
71.32693	1.4
73.02909	0.7
79.05486	2.5
81.03408	2.3
81.07054	5.4
83.04972	2.8
83.08609	1.5
84.08132	0.9
85.02917	8.4
85.06525	1.7
85.35216	0.6
87.04493	0.6
90.58454	0.6
91.05494	3.0
93.07039	3.0
95.04981	1.4
95.08614	8.2
97.02893	2.7
97.06548	1.3
99.04455	1.0
105.07027	4.8
107.08601	10.5
109.02843	0.9
109.06524	3.2
109.10140	1.8
109.39042	0.6
111.08096	5.3
117.07063	0.8
119.04964	1.1
119.08599	4.5
121.06497	2.2
121.10142	7.5
121.39268	0.6
123.08077	4.6
127.03931	2.8
131.08569	8.1
133.10132	8.3
135.08061	15.3
135.11685	3.0
137.05983	0.7
137.09610	1.4
138.11101	0.7
143.08534	1.0
144.08090	0.9
145.04944	0.7
145.10112	2.7
147.04422	3.7
147.08047	1.0
147.11700	3.6
149.09647	6.3
149.13260	2.3
158.10928	4.1
161.09645	0.5
163.11162	0.7
163.14890	3.8
169.08514	0.6
173.13269	18.2
175.14821	1.5
175.72749	0.5
191.14322	100.0
192.14677	0.8
220.02922	0.8
239.08916	0.6
264.67587	0.7
311.61383	4.6
312.11734	1.0
320.62067	2.2
332.12799	1.3
337.49570	0.7
353.19617	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	353.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29964	2.7
51.27464	2.6
70.01628	12.9
72.08160	9.2
83.04908	3.0
94.93025	7.3
113.65655	3.3
118.08647	6.8
129.01791	3.7
141.60150	3.2
146.56160	3.1
183.95418	3.0
196.86867	7.1
200.39291	2.6
353.08502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
65.03942	1.0
69.03426	0.6
69.07057	0.5
69.50377	0.5
69.50786	1.4
70.06590	0.4
71.04986	0.3
78.50796	0.3
81.07079	0.3
83.01347	0.5
84.08138	0.6
85.02895	0.7
86.09712	0.7
91.05491	12.4
93.07028	0.4
95.01315	0.3
95.08598	0.7
95.94267	0.2
97.02866	0.3
97.06562	0.4
105.07043	0.3
107.08595	0.7
111.00840	0.3
119.04955	28.2
121.10165	0.7
123.08009	0.3
127.03915	0.4
129.10185	0.3
133.10135	0.3
135.08107	0.3
141.09163	0.4
142.19453	0.2
147.04425	100.0
148.04799	0.9
155.14444	0.3
163.14787	0.5
173.13301	0.5
191.14311	2.6
353.08780	2.5
353.19864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05495	0.3
56.96574	0.5
57.03422	0.4
58.38353	0.3
65.03939	1.3
67.05495	0.6
69.03432	0.9
69.57659	0.6
69.58071	1.3
70.06591	2.1
72.08147	1.2
73.02921	0.5
77.09633	0.4
78.62920	0.3
79.05511	0.4
84.08154	4.0
85.02941	0.9
86.09701	2.3
87.43110	0.3
91.05488	13.9
93.07070	0.6
95.08611	0.5
97.02911	0.5
99.04476	0.5
101.04227	0.4
105.03384	0.6
109.10154	0.5
113.02337	0.5
114.05530	0.5
116.07097	0.7
119.04945	29.2
120.08145	0.4
120.99538	0.5
123.04452	0.4
127.04138	0.4
133.02875	0.9
136.07559	0.5
138.02185	1.0
146.06006	0.5
147.04416	100.0
147.96619	0.3
148.04770	0.8
163.03928	0.5
178.53316	0.4
179.03433	1.5
192.06589	0.5
203.25626	0.4
214.61217	0.4
217.10097	0.6
229.95084	0.4
275.05612	0.9
335.12411	0.5
353.08655	0.9
353.13354	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.8
55.58351	7.6
57.07079	12.5
59.65538	7.8
67.05514	17.4
69.07075	11.0
71.52898	8.9
79.05501	18.4
81.07050	40.1
83.08627	12.2
91.05496	12.9
93.07066	16.7
95.08606	25.3
97.06515	8.2
105.07036	30.3
107.08584	7.7
119.08611	19.5
131.08592	9.0
133.10161	24.5
135.11693	10.1
135.97002	7.6
138.23537	7.3
141.69392	6.8
145.10080	11.3
147.11731	16.1
149.13280	9.4
156.00671	7.4
159.11639	9.8
160.30234	6.5
179.14319	8.7
220.52162	7.5
275.20090	100.0
307.22736	38.1
345.67325	7.9
352.23618	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	352.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.07082	36.0
69.07069	2.4
69.92672	5.6
71.08638	34.8
73.06544	3.6
77.75721	1.4
78.09123	1.3
78.15261	1.2
83.08617	4.9
83.80107	1.4
85.10182	27.6
89.06036	100.0
95.08570	1.4
96.45624	1.3
97.35239	1.4
98.09235	1.7
98.21456	1.9
99.11722	1.9
107.07083	6.8
110.04551	1.4
110.23703	1.6
113.24398	1.3
130.08490	1.5
133.08606	40.9
141.16391	1.8
151.09647	4.6
177.11211	12.4
185.19028	3.0
195.12291	44.0
202.15582	1.3
229.21678	7.5
289.21542	1.4
334.27191	2.5
335.27939	71.6
336.28397	2.0
356.60852	1.3
365.67233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0847
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
62.58680	2.2
64.57700	2.2
70.29270	8.6
73.61732	2.2
74.91051	2.2
94.93024	3.1
98.21488	4.5
119.22352	2.3
131.01639	2.5
131.38367	2.2
136.20810	2.4
353.08521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
57.03430	0.6
64.93983	0.5
65.91812	0.5
67.05504	2.7
69.07066	2.2
71.52203	0.6
71.52596	0.6
72.23791	0.4
79.05486	2.3
81.07069	3.4
83.08636	0.6
83.72948	0.5
91.05492	2.5
92.15471	0.5
93.07065	4.1
94.04191	0.8
95.04962	0.8
95.08620	2.6
97.06523	1.0
99.08094	0.6
105.07018	3.1
107.04973	0.9
107.08588	2.7
109.06514	0.8
109.10184	2.4
109.37910	0.5
117.06967	0.5
119.08594	2.6
120.07972	0.5
121.10159	2.1
122.03676	3.5
123.08078	0.9
131.08548	1.5
133.10150	3.4
135.08099	0.7
135.11710	2.0
137.05988	100.0
138.06264	1.0
145.10197	0.5
147.11702	1.5
149.13229	1.0
153.12877	0.5
157.10088	0.6
159.11713	1.2
161.13280	1.5
170.15448	2.4
171.11717	0.9
182.15381	5.1
211.14812	0.5
241.19566	1.1
254.49710	0.6
259.20605	2.2
271.85416	0.6
290.41357	0.5
296.42789	0.5
306.20612	7.5
351.18701	0.6
351.25732	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	351.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01907	3.2
55.05511	25.8
57.07071	7.2
59.05012	2.7
67.05505	30.5
69.03423	6.7
69.07065	61.8
70.63465	5.2
70.63819	4.1
71.04984	12.5
73.15768	2.6
79.05492	33.8
81.07059	57.7
82.65802	2.6
83.04990	2.9
83.08619	14.2
85.06519	4.0
91.05481	49.4
93.07042	78.7
95.04980	21.8
95.08607	70.4
97.06528	16.5
100.37599	3.0
105.07029	100.0
107.08598	66.7
109.06512	10.9
109.10163	49.5
111.08094	3.3
115.05450	4.1
117.07040	15.6
119.08586	96.3
121.06523	8.6
121.10139	47.8
123.08051	6.7
123.11696	21.2
128.06221	10.0
129.06970	9.2
130.07846	5.2
131.08568	44.4
133.10126	52.7
135.08089	15.5
135.11697	12.8
137.09601	5.0
137.13219	13.2
141.07028	3.6
142.07813	12.5
143.08563	34.6
144.09331	5.2
145.10109	49.0
145.11166	4.2
146.07307	7.3
147.08058	7.4
147.11691	33.3
149.09627	15.1
149.13246	8.2
155.08575	8.2
156.09335	12.1
157.10126	47.2
158.10843	2.9
159.08054	4.7
159.11711	29.1
161.09608	54.5
161.13252	15.4
163.11246	4.0
168.09464	3.6
169.10188	14.3
170.10938	3.3
171.11668	24.5
173.09711	4.8
173.13246	21.6
175.11218	9.5
175.14819	18.8
177.16406	21.4
179.08580	3.9
183.11720	9.5
185.13271	14.7
187.14827	8.7
189.16420	11.2
193.10078	4.3
193.16025	3.5
194.10945	5.7
195.11760	6.5
197.13307	12.3
199.14839	12.0
201.16435	9.3
203.17984	9.2
207.11798	3.9
209.13278	20.3
211.14848	10.3
213.16402	5.3
215.17868	3.8
221.13217	3.9
225.16470	4.4
227.14453	6.3
227.17778	3.4
237.16408	4.8
238.17531	3.0
241.19510	9.6
249.16432	2.8
251.18237	3.1
255.21060	7.0
267.21088	7.3
281.22791	3.7
333.25803	5.9
351.23105	4.6
351.26874	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
53.03934	3.8
55.01868	1.5
55.05515	14.4
57.03435	9.2
57.07066	4.3
65.03939	2.2
67.05505	45.0
69.07063	13.6
70.47470	3.1
71.04979	3.1
71.08625	1.5
75.04478	1.7
79.05497	62.1
81.07059	54.5
83.04988	2.7
83.08636	7.6
85.06521	3.4
89.93399	1.3
91.05484	56.0
93.07046	91.2
95.04973	5.3
95.08613	38.2
97.06541	2.5
97.10152	2.3
99.08100	5.0
105.04542	2.0
105.06318	2.8
105.07031	55.5
107.04990	1.6
107.08599	55.3
109.06529	2.6
109.10155	14.6
111.08080	3.3
113.09622	1.8
117.07024	10.1
119.05991	1.5
119.08588	51.8
121.10143	42.8
123.08030	2.1
123.11691	3.5
125.09688	1.4
129.05521	2.5
129.07002	8.6
131.08566	23.4
133.10143	49.3
135.11690	41.4
137.13239	2.0
142.07692	1.9
143.08586	7.5
145.10143	24.1
147.08014	2.0
147.11697	50.5
149.09612	4.0
149.13266	26.3
151.11180	3.1
157.10143	10.2
159.11707	22.3
161.09587	3.2
161.13258	40.3
163.11177	4.3
163.13602	1.5
163.14845	8.9
171.11687	16.2
173.13268	11.2
175.11200	2.7
175.14838	20.9
177.12784	3.6
177.16365	2.1
179.14276	1.4
185.13246	13.8
187.14873	3.7
189.12766	3.9
189.16327	2.1
191.14413	2.6
199.14775	8.1
203.14333	2.6
213.16446	3.9
215.17891	2.0
217.15886	2.8
217.19437	6.4
221.15399	1.6
231.17487	2.5
231.21098	9.7
235.16833	1.7
238.30940	1.4
241.19522	40.5
259.20578	100.0
260.20862	2.3
277.21637	15.1
333.24265	9.9
334.24908	1.2
351.25308	86.7
352.25717	2.6
356.98941	1.5
359.79865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.2
53.03933	3.4
55.01852	0.9
55.05262	1.7
55.05511	16.6
57.03439	6.7
57.07073	2.4
59.04977	1.3
65.03943	2.1
67.05506	44.3
69.07068	14.9
69.30117	3.9
69.30544	4.4
71.04979	2.4
71.08605	1.3
75.04477	2.1
77.03912	0.9
79.05493	61.9
80.42220	1.0
81.07058	51.9
81.52470	1.1
83.04993	2.6
83.08620	8.6
85.06555	5.1
91.05482	52.2
93.07045	86.6
95.04984	5.5
95.08609	34.2
95.09114	0.8
97.06525	3.2
97.10161	2.5
99.08086	4.5
103.05446	1.8
103.41618	1.0
105.04510	1.1
105.07032	55.7
107.08591	50.4
109.06512	3.0
109.10152	13.2
111.08087	2.0
113.09679	2.4
117.07028	11.9
119.06052	1.2
119.08582	48.9
121.06567	1.2
121.10146	37.8
123.08094	1.6
123.11689	3.0
128.06198	1.2
128.27711	1.0
129.05501	1.9
129.07011	8.5
131.08580	19.1
133.10132	47.3
135.08060	2.8
135.11697	39.2
137.09651	1.9
143.08560	9.0
145.10126	21.6
147.11694	43.2
147.87082	0.9
149.09618	3.7
149.13268	23.6
149.27502	1.1
151.11206	2.4
157.10124	11.8
159.11696	19.2
161.09605	1.8
161.13261	35.5
163.11198	2.5
163.14813	9.1
171.11705	16.5
173.13298	12.3
175.11201	2.7
175.14835	18.2
175.63928	1.2
177.12770	4.0
177.16356	1.3
179.14275	1.2
185.13266	14.8
187.14830	2.9
189.12776	3.4
191.14325	2.1
195.13844	1.6
199.14822	8.6
201.16412	1.4
203.14362	2.7
207.13869	1.1
213.16415	4.3
215.18011	2.5
217.15987	2.3
217.19582	4.9
231.17451	3.1
231.20996	7.7
241.19514	34.8
259.20575	100.0
261.74789	1.0
277.21634	13.9
333.24274	9.9
351.25336	86.3
352.25842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82615	2.2
53.03930	7.3
55.05518	15.1
57.03431	7.0
57.07074	2.4
67.05504	37.3
69.07072	15.1
71.04991	5.0
71.52033	2.6
79.05082	3.4
79.05501	54.0
81.07059	45.2
83.04971	3.2
83.08613	8.9
85.06548	5.9
91.05478	50.0
91.26796	3.0
93.06493	4.3
93.07049	59.4
95.04989	6.8
95.08620	34.5
97.06534	4.2
99.08092	4.6
105.07032	55.0
107.07906	2.5
107.08598	38.6
109.06524	4.0
109.10169	12.4
111.08109	3.6
113.09658	3.0
117.07011	9.3
119.08591	49.7
121.10152	36.0
123.08051	4.0
123.11723	2.9
129.07016	8.1
131.08585	23.6
133.06493	2.6
133.10133	40.5
135.08055	3.6
135.11700	34.0
137.09615	4.2
143.08554	13.2
145.10107	18.3
147.11705	43.9
147.15366	2.6
149.09630	4.6
149.13254	18.2
151.11191	2.6
155.08514	2.8
157.10139	13.8
159.11723	17.6
161.09550	2.8
161.13263	33.9
163.11232	4.8
163.14780	7.9
165.12746	3.1
171.11728	16.9
173.09624	2.9
173.13249	10.2
175.11244	4.1
175.14816	16.7
185.13316	15.0
187.11145	2.6
199.14726	6.8
203.14273	3.8
213.16406	4.6
215.17871	2.6
217.19505	3.7
231.17328	2.7
231.21117	8.2
241.19531	32.7
242.19382	2.5
259.20599	100.0
351.25549	65.4
361.09998	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01882	1.1
55.05265	1.3
55.05511	13.7
55.91475	0.8
57.03446	4.5
57.07061	2.9
59.72184	0.9
65.03939	1.4
67.05508	36.1
69.07072	10.6
69.24557	2.3
69.24963	5.2
71.04985	2.7
71.08620	0.7
75.04485	0.8
77.03905	1.9
79.05496	54.7
81.07059	40.5
83.04967	2.4
83.08624	4.4
85.06538	3.6
87.90176	0.8
91.05484	56.1
93.07049	68.3
95.04964	3.4
95.07989	1.7
95.08608	29.3
97.06511	2.8
97.10184	2.9
98.21471	1.7
98.23414	1.0
99.08086	4.4
103.05450	1.8
105.04537	1.2
105.07035	61.6
107.08597	40.1
109.06519	2.3
109.10161	10.1
111.08076	2.4
113.09608	1.4
115.05473	1.6
117.07021	13.2
119.08588	52.0
120.08857	0.9
121.06493	1.1
121.10146	31.3
121.56830	0.8
123.08072	1.8
123.11673	4.1
125.09622	1.2
128.06242	2.0
129.07024	8.9
130.07849	1.2
131.08572	20.9
133.10138	45.2
135.08025	1.9
135.11696	30.7
137.09616	1.5
142.07793	1.5
143.08542	10.3
145.10129	17.4
147.08041	1.7
147.11690	44.9
149.09622	2.6
149.13263	18.8
151.11229	1.1
157.10133	9.1
159.11702	17.3
161.09598	1.0
161.13261	35.8
163.11194	2.8
163.14824	6.2
165.12741	1.7
171.11703	12.4
173.13264	10.6
175.11179	2.7
175.14825	17.7
177.12785	2.4
179.14354	0.9
185.13248	14.1
187.14828	2.4
189.12807	1.5
189.16418	1.9
199.14833	7.5
201.16443	1.2
203.14345	1.9
213.16467	4.7
215.18025	1.8
217.15904	1.7
217.19528	3.1
231.17429	2.2
231.21080	9.6
231.88658	0.9
237.84576	0.9
241.19513	33.6
259.20587	100.0
260.20880	1.7
261.22113	0.8
277.21625	3.9
315.23404	1.2
333.24271	3.4
337.75293	0.8
351.25305	68.9
352.25748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01860	2.4
55.05510	17.5
57.03438	7.1
57.07067	4.9
63.77029	1.8
65.03944	5.0
67.05505	41.4
69.07072	18.4
71.05013	3.8
71.52260	2.0
75.04494	3.4
75.25419	1.9
79.05496	64.0
81.07060	52.0
83.05004	3.8
83.08622	10.1
85.06533	3.5
89.25051	2.0
91.05482	52.2
93.07047	80.9
95.04984	7.4
95.08613	34.4
97.06552	5.7
97.10168	4.4
99.08105	5.3
105.07031	57.6
107.08598	52.1
109.06521	3.9
109.10154	17.2
111.08082	2.9
114.26527	2.0
117.07029	12.9
117.07778	1.8
119.08585	50.5
120.82070	1.9
121.10150	44.1
123.08087	4.0
123.11735	5.0
129.07030	7.5
131.08565	20.4
133.10132	42.0
133.11090	3.0
135.11700	37.9
137.09633	5.7
142.07692	1.9
143.08536	11.0
145.10118	22.2
147.08087	3.0
147.11697	51.6
149.09697	4.7
149.13283	23.4
151.11223	4.3
157.10173	9.0
159.11729	15.8
161.09566	3.2
161.13252	38.2
161.14445	3.5
163.11259	5.5
163.14828	8.7
171.11682	18.1
173.13307	10.2
175.11206	3.7
175.14830	19.4
177.12839	3.0
183.11797	3.4
185.13255	18.1
187.14735	2.4
189.12645	3.7
191.14215	2.4
199.14896	8.7
203.14333	4.2
211.13336	2.4
213.16449	4.7
215.17999	2.7
216.18306	2.2
217.19577	7.1
231.17517	2.7
231.21130	11.6
236.35587	2.1
241.19540	37.3
248.76714	2.0
251.56078	2.0
259.20581	100.0
260.20996	2.8
277.21637	16.7
279.87585	2.1
317.85834	2.2
333.24448	9.4
334.24252	2.2
337.53485	1.9
346.59903	2.0
351.25369	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.1
53.03934	2.5
55.01862	1.7
55.05272	1.3
55.05515	15.9
57.03439	8.1
57.07081	4.1
65.03936	2.3
67.05506	42.0
69.03422	1.2
69.06738	1.1
69.07074	14.9
69.30985	4.1
69.31387	2.3
71.04984	3.2
71.08655	1.4
75.04495	1.9
77.03922	2.1
79.05497	65.2
81.07059	49.3
83.04971	3.2
83.08613	7.3
85.06536	5.2
88.75339	0.7
89.07577	0.9
89.22770	0.8
91.05483	52.9
93.07048	86.5
95.04974	5.6
95.08611	38.2
97.06521	3.1
97.10158	3.0
99.08092	4.4
99.53526	0.8
102.77551	0.8
105.04538	1.9
105.07034	56.5
107.04915	1.5
107.08601	50.4
109.06506	3.3
109.10155	13.3
111.08092	2.3
113.09625	2.2
115.05427	1.2
117.07024	10.5
119.08588	52.8
121.06506	1.8
121.10150	41.4
123.08063	2.4
123.11700	3.4
125.09628	1.6
128.06229	2.1
129.07028	8.6
131.08572	21.7
133.10138	44.3
135.08044	2.3
135.11697	41.3
135.12543	0.8
137.09592	1.9
139.11205	1.3
143.08566	8.1
145.10133	21.5
147.08063	1.8
147.11697	45.5
148.12021	0.8
149.09680	4.2
149.13260	25.8
151.11211	1.4
157.10127	10.1
159.11696	18.6
161.13266	37.2
163.11188	3.3
163.14830	8.6
165.12761	1.7
171.11694	14.2
173.13284	11.8
175.11211	2.5
175.14838	17.8
177.12653	3.6
177.16345	1.0
179.14281	2.2
185.13280	13.6
187.14790	3.9
189.12772	2.3
189.16336	0.9
191.14365	0.9
195.13985	0.8
199.14813	6.6
203.14377	1.9
203.18088	0.8
207.13762	1.5
213.16370	5.1
215.17963	2.2
217.15942	1.0
217.19484	5.6
221.15417	2.1
231.17487	2.7
231.21065	9.4
235.16788	1.4
241.19521	38.6
259.20587	100.0
260.21045	1.6
261.22040	1.0
265.31302	0.7
267.59381	0.8
277.21634	14.5
303.34479	0.7
315.23233	0.7
333.24265	10.7
351.25308	89.5
352.25629	2.1
365.91174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.05507	19.3
57.03440	5.7
57.07076	4.4
67.05141	2.6
67.05504	47.6
69.03436	3.5
69.07071	16.1
71.04993	3.5
71.52622	4.5
79.05494	77.3
81.07056	62.0
83.04958	2.8
83.08628	10.5
83.40784	2.7
85.06546	3.5
91.05479	57.7
91.06022	3.5
93.07041	100.0
95.04977	6.8
95.08617	37.6
99.08089	2.7
105.04503	2.4
105.06325	3.7
105.07029	68.5
106.07331	2.6
107.08588	63.9
109.06505	6.5
109.10162	18.5
109.93777	2.0
111.08123	3.2
113.09649	3.7
117.07050	12.1
119.08582	58.5
121.10135	45.2
123.08083	4.8
123.11739	4.3
125.09628	3.1
129.07002	12.3
131.08580	22.9
133.10133	49.5
135.11700	47.8
137.09612	4.1
143.08548	11.9
145.10121	22.0
145.39940	2.4
147.11681	54.4
149.09692	6.5
149.13277	27.7
151.11238	3.2
157.10143	12.0
159.11676	22.5
161.09663	3.1
161.13248	35.8
161.14467	3.1
163.11227	4.4
163.14885	7.7
171.11717	12.0
172.12122	2.8
173.13274	14.8
175.11279	3.0
175.14816	15.0
177.12718	3.9
185.13306	9.7
187.14906	4.2
189.12862	3.7
199.14873	9.6
203.14320	4.0
210.09827	2.3
213.16412	5.3
217.16043	2.7
217.19516	2.6
226.97586	2.3
231.17538	3.8
231.21188	7.7
241.19514	37.7
259.20572	95.8
277.21613	15.9
333.24393	10.2
351.25403	90.4
352.25974	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	351.253
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
53.03954	1.0
55.01876	7.4
55.05518	7.6
57.03441	1.1
57.07082	4.2
58.07405	0.6
61.93790	0.5
65.03914	0.8
67.05508	12.8
69.03421	1.0
69.07069	10.2
69.18294	1.5
69.18703	5.0
71.04980	1.6
71.08640	3.7
72.08936	0.9
79.05499	8.0
81.03391	0.6
81.06587	1.1
81.07060	18.3
82.63145	0.5
83.04966	1.7
83.08605	2.1
85.06535	1.5
85.10191	1.5
86.10532	1.1
89.06015	2.0
91.05479	6.5
92.81990	0.6
93.07049	14.8
95.04972	7.3
95.08614	11.5
97.06535	8.6
97.10173	1.8
98.21470	1.0
99.08101	1.8
105.07035	9.8
106.06770	0.5
107.04884	0.7
107.08601	7.2
109.06524	41.9
109.10149	3.7
111.08072	1.0
117.07003	2.4
119.08594	7.6
121.06517	9.9
121.10155	6.2
123.08088	3.0
123.11686	2.0
125.09626	0.9
131.08582	5.0
133.10136	4.7
135.08073	5.6
135.11665	2.3
137.09589	3.3
139.11192	1.2
143.08565	1.3
145.10110	5.3
147.08055	0.9
147.11710	4.2
149.09592	3.4
149.13228	1.0
151.09663	2.2
151.11183	0.6
152.09940	0.9
155.08575	0.8
157.10115	1.0
159.11703	2.4
161.13214	1.6
163.11197	9.4
165.12764	20.9
166.71710	0.6
168.75253	0.8
169.10141	0.9
173.13222	2.6
175.11194	1.0
183.11601	0.9
187.14807	1.8
191.14363	3.6
197.13229	0.8
205.15866	0.6
212.42805	0.5
215.14246	0.7
219.17430	0.7
221.15341	2.6
229.14404	2.2
233.15327	2.2
243.21161	0.8
247.20531	0.7
257.65460	0.6
261.22061	4.8
271.20627	1.3
289.21640	41.5
295.19086	5.2
307.22910	1.0
333.24222	2.0
334.30380	1.4
350.11993	0.5
351.25311	100.0
352.25507	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.05517	11.2
57.03436	5.1
57.07071	3.4
65.03944	2.1
67.05510	38.8
69.07072	12.6
71.52997	1.4
71.53392	1.6
75.04452	2.3
77.03930	1.6
79.05499	49.9
81.07067	42.7
83.04984	2.8
83.08620	5.8
85.06544	3.6
91.05488	52.6
93.07054	66.3
95.04970	4.3
95.08614	30.6
97.06549	3.2
97.10160	3.8
99.08101	3.7
105.04517	1.7
105.07035	61.6
107.08601	43.2
109.06516	2.4
109.10161	10.6
110.10625	1.3
111.08092	2.2
111.11710	1.5
115.40474	1.2
117.07027	12.6
119.08590	51.8
121.10150	29.4
123.08096	2.4
123.11713	2.9
125.09653	1.9
128.06255	2.4
129.07021	10.6
131.08582	21.4
133.10146	50.3
135.08105	2.5
135.11703	30.1
137.09610	2.4
143.08542	11.2
145.10127	19.9
147.10510	2.3
147.11699	46.6
149.00993	1.3
149.09631	2.4
149.13274	17.5
157.10114	9.9
159.11710	19.4
161.11984	2.9
161.13277	41.2
163.11195	4.3
163.14842	7.7
171.11717	17.5
173.13211	11.9
175.11288	2.8
175.14839	16.3
177.12805	2.3
185.13284	13.1
187.14841	2.9
189.12865	3.5
189.16502	1.5
199.14902	7.7
203.14378	2.1
213.16379	3.1
217.19455	2.9
231.17484	2.8
231.21069	9.6
241.19518	33.5
259.20596	100.0
260.20981	2.4
261.22226	1.5
277.21628	3.4
284.62775	1.4
314.54245	1.3
333.24316	3.3
351.25333	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01871	6.3
55.05513	23.0
55.47421	2.3
57.03444	12.9
65.21792	2.6
67.05504	51.4
69.03427	3.8
69.07069	21.8
69.31944	17.3
71.05000	3.8
73.02940	3.7
79.05491	66.1
81.07055	56.6
83.04962	4.9
83.08615	14.3
85.06557	7.7
85.56882	2.4
91.05479	58.2
93.07044	86.9
95.04965	9.5
95.08605	49.8
95.67413	2.2
97.06522	8.5
98.21521	5.3
99.08101	3.9
101.06046	2.7
105.07028	56.8
106.58656	2.3
107.08589	61.5
109.06512	4.3
109.10151	19.0
111.08085	11.9
113.09642	3.0
117.07014	14.0
119.08575	53.3
121.06510	5.4
121.10149	47.3
123.08074	2.9
123.11705	8.1
129.07014	8.5
131.08580	26.2
133.10136	49.3
134.43443	2.4
135.08029	3.9
135.11700	43.9
137.09639	2.9
143.08542	10.7
145.10117	24.4
147.08012	4.6
147.11684	46.6
149.09662	3.8
149.13272	31.3
151.07552	3.6
151.11215	4.4
157.10132	9.4
159.11716	19.1
161.13245	33.1
163.11179	5.8
163.14806	7.4
165.12737	4.4
171.11697	15.7
173.13225	14.1
174.93115	2.6
175.11273	5.5
175.14804	20.5
177.12831	2.8
183.11717	3.2
183.22772	2.8
185.13246	13.0
187.14888	3.8
189.12706	2.9
199.14832	7.5
203.14348	2.6
213.16431	3.1
231.17587	4.3
231.21121	12.3
241.19542	33.3
259.20581	100.0
277.21545	24.4
333.20581	3.9
333.24265	11.8
344.62680	2.3
351.21323	17.5
351.25290	88.0
352.25815	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	351.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72905	1.1
55.93543	1.2
70.06590	2.8
71.01895	2.5
72.08154	1.8
84.04522	1.8
84.08124	3.7
85.02906	2.0
97.02879	1.6
110.07136	1.3
114.55811	1.1
135.76559	1.2
136.07562	1.2
158.91293	7.6
179.53633	1.3
186.02219	1.5
252.97249	2.1
256.28705	1.2
279.05164	1.9
287.11383	1.2
295.04150	1.4
351.06839	100.0
351.11960	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	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.19478	0.5
55.01889	0.7
55.05518	0.8
57.03430	0.5
57.07079	0.5
67.05513	2.2
69.03435	0.6
69.07065	1.4
69.67131	2.6
79.05500	2.0
81.03409	0.5
81.07059	2.8
83.04973	1.0
85.06557	0.6
91.05458	1.4
93.07056	1.9
95.04990	1.3
95.08604	1.6
97.02918	0.4
97.06546	0.9
97.10181	0.8
98.21424	0.6
99.08099	0.5
101.05986	0.5
105.07040	1.2
107.08592	2.1
109.06538	0.8
109.10168	0.6
111.08096	0.5
117.07036	0.7
119.08575	1.4
121.06509	0.7
121.10162	1.1
123.08115	0.8
125.09651	0.7
127.27708	0.4
131.08591	0.8
133.10110	0.9
135.08084	0.6
137.06001	0.5
143.08604	0.4
145.10167	0.6
147.11673	1.0
149.55733	0.4
151.07530	0.9
157.10168	0.6
161.09694	0.6
163.11179	0.5
165.09158	0.5
173.09630	0.4
181.12210	0.5
225.60388	0.4
259.13391	0.8
259.20593	0.5
293.17273	0.4
333.20135	0.9
351.21429	100.0
352.21579	1.1
369.21246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
55.05498	4.6
57.07078	84.5
62.76662	1.6
67.05522	3.5
69.07059	5.9
69.14978	18.6
71.08633	71.1
71.15847	1.5
79.05492	3.5
81.07040	5.6
85.10181	47.6
87.04465	3.5
89.05493	3.9
89.06033	68.6
91.05476	2.9
93.07025	5.7
95.04954	2.9
95.08620	3.9
98.20769	3.0
99.11742	7.2
100.63422	1.7
105.07020	3.7
107.07052	5.1
107.08635	2.2
109.06509	7.4
113.13300	3.2
119.08555	2.1
121.10125	3.3
123.11713	2.0
127.14819	4.3
133.08618	17.3
133.10167	3.3
151.09656	100.0
163.11226	2.1
165.12732	2.7
264.54059	1.9
289.21555	6.3
333.30026	38.1
350.25369	5.5
351.25372	11.5
367.90988	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	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51558	1.3
52.30271	1.3
55.05521	8.4
57.03432	1.8
59.04993	2.5
61.02942	1.9
67.05498	6.8
67.46846	1.5
69.03417	3.2
69.07059	5.0
69.66550	4.1
69.66940	3.3
70.06584	8.4
70.28712	1.3
71.04993	8.8
72.08163	3.3
79.05481	4.4
81.03423	2.2
81.07056	19.0
83.04972	4.0
83.08620	10.5
84.08149	3.8
85.02913	15.1
86.09696	9.0
87.04420	1.8
91.05466	4.7
93.07047	44.0
95.08609	25.3
97.02914	3.8
97.06541	25.7
101.09659	3.2
105.07057	2.5
107.08598	62.4
109.02882	3.1
109.10162	34.1
111.08050	2.6
119.08652	2.7
119.23231	1.4
120.08102	5.9
123.08068	1.9
123.11687	15.6
125.09677	2.0
127.03942	3.6
127.11194	1.8
135.11700	100.0
136.06194	2.1
136.07614	1.7
141.12721	3.6
145.04973	2.7
153.12752	56.2
155.04646	1.4
171.13811	68.9
300.08646	2.9
364.13211	1.4
373.11725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14336	0.4
56.05032	2.4
57.03427	0.8
65.03941	1.4
69.66402	1.1
69.66820	1.0
70.06595	12.8
72.08157	0.4
84.04494	0.5
84.08141	3.0
85.02908	1.4
86.06056	1.4
86.09699	1.4
91.05487	13.2
96.60448	0.4
101.04246	0.8
101.39685	0.4
102.05554	1.3
103.03940	5.5
110.07133	0.5
114.04728	0.7
114.05534	14.5
116.07143	0.5
119.04945	32.8
120.05262	0.5
120.08076	0.5
147.04414	100.0
148.04785	0.5
158.08131	15.1
158.99609	0.4
177.04051	0.4
204.08684	88.8
210.62263	0.4
288.10968	0.6
350.12247	1.5
351.14246	1.3
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
53.03917	1.1
55.01869	1.5
55.05492	0.9
56.05033	1.1
61.02922	1.6
65.03940	4.9
67.05521	0.9
68.99781	2.0
69.03420	2.8
69.84200	1.6
69.84580	1.6
70.06577	2.0
72.08139	1.0
74.06070	1.4
75.52658	1.0
81.03404	1.6
83.04974	3.2
85.02909	12.1
91.03931	1.1
93.03397	3.4
97.02887	3.7
109.02931	0.9
111.04442	24.1
121.03996	2.8
127.03903	2.1
139.03906	69.9
145.04945	3.3
147.04433	2.2
156.04172	2.0
163.03873	1.1
171.06532	100.0
180.08644	1.4
188.03802	0.8
285.11145	0.8
343.30338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.9934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29251	0.8
55.01860	1.6
55.93533	14.9
56.05022	0.8
56.94312	0.9
62.31494	1.0
67.05521	0.9
69.03407	0.9
70.06592	1.5
70.34959	2.4
71.01346	0.9
71.93018	10.0
72.93797	19.8
73.94564	2.3
74.95348	2.0
79.05457	1.2
79.55900	0.8
83.00168	0.8
84.04502	1.9
84.08142	1.0
86.09698	1.3
89.94053	7.3
90.94831	23.4
100.96896	1.0
102.94809	8.4
104.96378	3.5
105.93529	5.1
106.61786	0.8
107.95095	5.4
108.95872	3.0
115.95598	2.1
116.96383	14.0
117.93481	1.6
118.94318	4.1
119.95115	1.2
120.95850	2.9
123.94574	1.6
125.96130	3.2
126.44112	0.8
130.94278	1.4
130.97925	1.7
131.95067	13.4
131.98715	1.4
132.95834	4.5
133.96643	1.6
134.97394	7.7
135.94580	1.0
136.06197	1.9
136.95332	3.0
142.94160	0.9
143.95076	4.5
144.95836	3.2
148.95308	1.0
148.98984	2.3
149.96129	17.9
150.96841	1.7
151.97670	3.3
157.96642	1.3
158.97450	1.0
159.95665	1.6
160.95340	22.5
161.96123	7.0
162.96883	1.4
163.97636	1.1
165.99266	1.9
171.98218	0.9
173.96103	4.4
175.94087	1.3
175.97748	5.2
176.98463	1.9
177.95534	2.0
178.96391	6.6
179.97163	2.5
186.96921	2.2
187.97699	2.2
188.03804	3.9
189.95499	1.8
191.97171	53.3
195.54149	0.8
201.95679	0.8
203.04900	1.2
203.97197	3.1
204.97919	3.1
205.98727	14.7
213.95573	1.7
217.98779	1.4
219.96658	100.0
220.97433	5.4
227.97401	0.9
229.95186	1.1
231.96664	2.0
233.98232	14.7
237.97687	10.7
241.98640	1.0
259.96167	1.1
261.97833	2.0
273.16724	0.9
273.97644	7.6
277.97232	1.6
289.97296	3.3
307.98111	1.0
331.98334	1.9
349.99335	32.9
350.09302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92093	0.6
55.01868	0.6
55.05521	2.8
57.07079	39.9
67.05499	2.5
69.07077	3.9
71.08633	27.4
71.51802	0.8
73.06556	3.7
79.05502	2.5
81.07077	3.9
83.04972	0.6
83.08620	2.5
85.10185	21.7
87.04473	1.4
89.06035	100.0
91.05482	3.9
91.07599	0.7
93.07055	3.3
95.05043	1.2
95.08614	2.3
97.06530	1.0
97.10178	2.3
99.08066	0.6
99.11739	3.4
105.07036	4.2
107.07092	6.0
107.08602	2.5
109.06530	0.7
109.10163	1.6
115.38770	0.6
117.07009	1.1
117.09143	0.9
119.08573	3.0
121.10158	2.7
123.08105	0.7
130.08611	3.4
131.08592	2.1
133.08607	36.7
133.10193	1.7
135.11679	0.7
142.07893	0.6
143.08548	0.8
144.09421	0.6
145.10143	2.3
147.11765	0.8
149.09662	1.0
151.09676	4.6
155.08650	0.6
155.17978	1.8
157.10118	0.6
159.11752	1.3
163.11189	0.8
169.10133	0.9
171.11685	0.8
173.13327	0.6
177.11264	7.8
183.11783	0.7
187.14864	0.8
195.12294	30.9
199.20682	0.8
243.23280	1.1
257.18793	0.7
275.20105	2.3
288.08386	0.6
295.04694	0.5
305.27026	1.0
349.24155	4.3
349.29456	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
55.01869	4.6
55.05512	24.6
57.03444	15.4
57.07083	4.2
62.16312	2.4
65.03925	3.0
67.05181	4.8
67.05512	55.7
69.03415	4.7
69.07076	50.7
70.16843	7.1
71.04992	8.1
77.03938	3.0
79.05501	56.9
81.03395	2.6
81.07064	81.6
83.05004	6.5
83.08620	12.7
85.10162	3.1
91.05493	65.8
93.07054	85.7
95.04969	22.4
95.08613	48.1
97.06529	24.1
97.10157	3.2
103.05502	3.2
105.07037	100.0
106.19823	2.4
107.04983	8.7
107.08607	74.8
109.06529	20.1
109.10164	39.1
111.08093	5.3
116.06263	4.7
117.07020	23.1
119.08593	81.0
121.06517	11.5
121.10156	75.3
123.08096	7.0
123.11726	9.7
125.09659	4.8
128.06262	7.9
129.07011	12.7
130.07799	5.1
131.08574	46.7
133.07617	2.6
133.10155	48.0
135.08076	13.9
135.11691	17.1
141.06978	3.6
142.07813	15.7
143.08557	22.8
144.09390	6.0
145.10144	56.6
147.08061	5.3
147.11697	18.9
149.09633	25.2
149.13278	6.0
153.06982	2.9
155.08548	9.3
156.09349	5.7
157.10139	30.2
158.10965	3.3
159.11687	25.9
161.09628	21.7
161.13284	11.3
163.11226	16.5
165.07054	3.2
165.12761	2.6
167.08521	3.2
169.10167	17.4
170.10838	3.3
171.11679	20.7
173.09663	4.2
173.13295	20.1
175.11215	5.2
175.14825	7.8
177.12761	6.2
179.08585	6.1
179.14368	10.8
180.09378	3.4
181.10182	7.3
182.10938	3.6
183.11728	16.4
184.12506	4.0
185.13274	9.8
187.11256	5.4
187.14842	12.6
189.11276	2.6
189.12845	2.9
192.09505	2.5
194.10936	6.8
195.11717	8.7
196.12460	3.1
197.13301	10.8
199.14833	13.0
201.12737	4.4
201.16400	3.2
209.13260	15.0
210.13873	2.7
211.14737	5.4
213.12805	2.7
215.14352	2.6
221.13103	2.6
222.73900	2.4
223.14850	8.2
225.16498	3.0
227.14268	7.5
229.19469	3.9
233.13159	2.7
239.18018	8.2
247.20636	3.4
255.17271	2.6
257.19031	8.5
265.19498	4.0
275.20099	43.3
279.21231	2.5
293.18753	2.9
349.23877	56.6
370.50247	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.05516	16.8
57.07077	6.6
65.03950	2.7
67.05508	34.5
69.03421	4.3
69.07082	22.6
70.69987	7.4
71.04996	7.9
79.05505	36.3
81.07060	47.0
83.08617	8.1
85.06508	2.6
91.05493	56.4
93.06491	5.0
93.07052	82.0
94.07229	2.6
95.04984	29.7
95.08624	34.0
97.06526	14.9
103.05469	3.4
105.04536	3.5
105.07040	100.0
107.08606	54.3
108.89621	2.6
109.06512	13.9
109.10173	33.1
111.08065	4.3
115.05449	4.4
116.06188	2.8
117.07047	18.8
119.08597	89.6
121.06522	8.7
121.10152	85.4
123.08096	8.3
123.11703	8.4
128.06233	6.7
129.07008	13.6
130.07791	7.1
131.08574	53.8
133.07700	2.9
133.09132	3.4
133.10135	55.4
135.08061	14.7
135.11700	21.8
141.06970	6.6
142.07799	17.7
143.08553	35.3
144.09352	7.8
145.09071	4.1
145.10149	66.9
146.07222	3.8
147.08044	8.7
147.11700	20.6
149.09628	13.3
155.08559	12.6
156.09375	8.6
157.10143	40.0
158.10916	4.9
159.08064	3.1
159.11700	21.4
161.09654	31.4
161.13286	7.8
163.11154	4.9
163.88899	2.5
167.08522	3.4
168.09377	4.6
169.10143	17.9
170.10945	3.7
171.11694	15.3
173.09683	3.7
173.13249	21.8
175.14861	7.5
179.08585	11.4
179.14268	3.6
180.09390	3.4
181.10098	11.0
182.11015	2.4
183.11755	16.7
185.13266	11.7
187.14851	24.7
189.12794	3.2
194.10915	12.0
195.11714	10.7
196.12517	3.2
197.13252	11.2
199.14879	11.6
201.16348	6.7
207.11652	4.3
209.13280	22.7
210.14003	3.1
211.14838	7.9
213.12772	5.3
213.16426	4.0
223.14824	7.6
225.16466	5.3
227.14273	8.9
237.16495	3.6
239.17879	7.0
265.19467	3.9
266.20364	2.6
275.20166	8.6
293.19009	3.4
311.11017	2.8
349.18201	2.7
349.25204	31.1
349.32135	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.8
55.01894	3.7
55.05513	14.9
57.07084	9.1
60.88605	2.9
67.05508	38.8
67.30068	2.9
69.03430	7.9
69.07077	29.0
71.04998	5.7
71.13104	8.1
76.93266	3.4
79.05491	31.5
81.07066	63.0
83.08624	4.2
89.06078	3.8
91.05485	45.6
93.07047	60.8
95.04980	40.5
95.08614	100.0
97.06535	6.4
103.05450	4.0
105.07041	89.2
107.08608	42.9
109.06534	7.5
109.10170	41.2
109.13540	3.3
116.06206	3.2
117.07032	18.4
119.07810	5.8
119.08596	73.0
121.06538	5.4
121.10157	82.8
123.08056	7.8
123.11718	54.4
123.38162	3.4
128.06264	9.9
128.65332	3.4
129.07040	18.9
130.07793	9.4
131.08574	36.5
133.10152	45.3
135.08087	12.0
135.11684	13.7
137.09613	4.0
141.07063	5.5
142.07797	12.1
143.08586	37.1
144.09439	8.0
145.10130	50.1
146.10950	3.4
147.08061	14.5
147.11681	25.0
149.09659	10.8
149.13252	5.1
155.08533	12.0
156.09355	13.1
157.10139	52.6
158.10921	7.6
159.08063	5.2
159.11691	20.5
161.09671	8.2
161.13269	7.7
163.11177	3.8
167.08609	8.1
168.09369	5.6
169.10168	19.7
170.10878	4.8
171.11688	27.4
172.12491	4.2
173.09601	11.5
173.13287	5.2
175.11281	5.4
175.14848	9.4
179.08582	14.9
180.09364	4.7
181.10132	9.4
182.10948	8.1
182.44411	3.2
183.11731	13.3
184.12437	7.0
185.09645	5.1
185.13293	12.1
187.11134	5.4
187.14847	15.3
189.16315	3.5
193.10143	5.4
194.10910	9.0
195.11711	21.1
196.12363	5.6
197.13257	21.6
199.14862	16.7
201.16487	4.6
207.11707	4.8
209.13300	24.7
210.13992	5.9
211.14810	8.6
213.16449	6.4
221.13408	6.4
223.14859	7.4
227.14322	26.3
239.14348	4.6
239.18098	4.4
240.18677	5.4
253.19586	3.4
265.19449	3.7
275.20059	14.3
293.19055	9.2
331.24054	6.0
349.25357	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.05508	18.5
57.07078	2.8
65.03932	3.7
67.05505	34.1
69.03425	5.2
69.07070	25.9
69.22595	14.9
69.23009	7.1
71.04988	5.9
79.05492	37.6
81.07053	52.9
83.04982	3.7
83.08613	9.2
84.90984	2.4
89.06059	2.7
91.05483	55.8
93.07045	88.4
95.04972	28.0
95.08607	45.2
97.06516	14.5
98.20778	3.8
103.05464	4.9
105.06314	4.9
105.07028	100.0
107.08593	58.8
108.76692	2.4
109.06481	11.8
109.10161	41.6
111.08069	5.2
115.05426	7.2
117.07018	19.7
119.08585	91.8
121.06502	9.2
121.10147	80.5
123.08074	5.6
123.11697	9.8
128.06238	7.7
129.07019	13.0
130.07758	7.6
131.08571	53.5
133.10121	51.8
135.08043	14.2
135.11711	17.2
137.09618	5.5
141.06990	4.4
142.07771	15.1
143.04639	2.8
143.08575	28.6
144.09361	5.6
145.10130	55.8
146.07236	4.6
146.10858	2.8
147.08061	8.9
147.11696	19.7
149.09589	11.6
149.13257	3.3
153.07056	2.9
155.08572	13.5
155.09717	2.6
156.09320	11.1
157.10127	43.2
158.10913	6.8
159.08078	4.5
159.11696	24.2
161.09618	28.1
161.13280	8.8
162.63448	2.5
165.06963	2.6
167.08569	5.4
168.09424	5.0
169.10139	15.9
170.10912	4.4
171.11671	17.4
173.09528	6.6
173.13289	18.6
175.11147	3.7
175.14867	11.8
179.08534	10.6
181.10138	6.7
182.10840	4.8
183.11688	17.8
184.12431	4.3
185.09647	5.0
185.13275	14.3
187.11197	3.2
187.14801	22.0
189.12743	4.1
193.10039	4.2
194.10873	6.7
195.11682	15.3
196.47847	2.5
197.13252	15.8
199.14847	11.4
200.15572	2.6
201.12679	3.4
201.16391	7.7
206.11067	3.0
207.11723	3.2
208.12396	3.2
209.13249	22.0
210.14067	5.2
211.14807	7.4
213.12698	3.7
213.16364	5.7
223.14792	8.3
225.16396	3.2
227.14297	8.8
235.14972	2.4
236.06172	2.9
237.16316	4.2
239.17937	8.9
251.17924	3.0
253.19614	4.7
257.18921	2.3
261.16483	3.3
262.36682	2.5
265.19537	3.2
266.20258	2.8
275.20032	9.6
293.18887	4.4
331.24072	4.8
335.56921	2.3
349.25299	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34649	2.5
53.03941	7.0
55.05511	21.0
57.07075	4.1
67.05515	32.3
69.03431	5.1
69.07072	18.3
69.33978	23.4
71.04993	9.8
73.99502	2.9
77.03922	2.8
79.05502	47.2
81.07063	49.2
83.04983	5.0
83.08636	6.7
91.05492	65.8
93.06489	5.1
93.07057	87.0
95.04978	26.7
95.08610	44.2
97.06560	16.2
98.21476	4.6
105.07042	100.0
105.13711	2.8
107.08607	61.9
109.06529	10.2
109.10160	43.8
111.08067	4.8
115.05425	4.4
116.06329	2.5
117.07040	19.2
119.08591	99.6
121.06527	8.6
121.10158	95.7
123.08097	4.3
123.11750	8.8
128.06248	8.7
129.07002	16.3
130.07777	5.6
131.08582	67.9
133.10146	50.5
135.08078	17.3
135.11691	21.1
137.09644	4.7
141.07008	3.8
142.07774	16.4
143.08598	35.6
144.09352	5.7
145.10141	69.7
146.07278	3.5
147.08051	6.9
147.11685	22.4
149.09639	13.3
155.08551	10.7
156.09334	10.1
157.10127	47.8
158.10878	5.5
159.11696	25.7
159.45134	3.2
161.09656	21.6
161.13289	9.7
163.11127	3.8
165.07082	3.6
167.08577	8.3
168.09407	4.3
169.10156	13.0
170.10913	4.7
171.11769	18.9
173.09660	7.9
173.13235	21.7
175.11174	4.1
175.14853	11.4
179.08563	11.1
181.10167	9.3
182.10954	3.2
183.11647	13.7
185.09689	4.0
185.13281	13.9
187.11221	4.7
187.14838	20.9
189.12738	4.6
193.10107	4.4
194.10947	9.2
195.11691	10.2
196.12561	4.1
197.13365	13.1
199.14847	18.3
201.12761	4.8
201.16391	3.9
207.11649	3.5
208.12378	3.6
209.13249	19.8
210.13994	4.6
211.14890	9.6
219.11891	4.3
221.13393	3.5
223.14912	6.1
225.16341	6.2
227.14328	10.6
237.16396	4.6
239.17969	9.0
253.19508	3.6
265.19598	7.2
275.20245	5.2
279.20935	4.1
293.18970	4.8
321.25714	3.6
331.24036	3.7
349.25351	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03943	1.2
55.01880	2.2
55.05515	7.7
57.03434	3.8
57.07066	3.5
59.05006	93.1
65.03935	1.0
67.05508	16.6
68.38000	0.9
69.03426	1.2
69.07071	7.9
71.04993	2.0
72.08152	3.5
75.04488	38.2
75.31417	0.8
78.82298	1.0
79.05503	18.6
81.03416	1.1
81.07056	18.9
83.04981	3.3
83.08617	4.0
85.06528	4.4
89.06048	6.7
91.05488	12.2
93.07046	12.9
95.04972	8.9
95.08614	19.4
97.02908	0.9
97.06535	3.1
97.10171	2.3
103.05453	1.6
103.40999	0.9
105.07038	31.5
107.04945	3.1
107.08601	16.7
108.05740	1.7
109.06532	10.2
109.10189	5.7
111.07375	1.9
111.08089	20.6
113.09663	1.5
117.07026	4.4
119.08592	8.9
121.06516	3.4
121.10137	5.3
122.07306	11.8
123.04443	1.5
123.08073	26.7
125.06022	1.2
125.09620	1.9
127.07558	1.4
129.06979	1.7
131.08586	5.3
133.06529	2.2
133.10135	9.9
135.08109	2.0
135.11717	2.3
137.05988	2.8
137.09624	46.3
139.07556	1.9
139.11191	2.0
139.48920	0.9
142.07784	2.2
143.08597	3.2
144.18631	1.0
145.06404	0.9
145.10143	6.1
147.08087	2.7
147.11696	4.0
149.09630	5.5
151.07555	48.5
151.11185	0.9
153.09077	1.4
154.40239	0.9
157.10130	2.7
159.08038	1.2
159.11699	5.7
161.09590	6.7
161.13184	1.4
163.11200	4.7
165.12816	1.5
167.07069	1.6
169.10101	2.2
169.12251	39.6
169.13693	2.1
171.11754	3.0
173.13318	2.3
176.88629	0.9
177.12715	1.8
179.10690	2.6
179.14322	1.3
181.08577	1.4
183.11729	1.5
185.09650	1.2
187.11238	1.8
189.00548	1.0
189.09177	1.9
189.11230	1.8
189.12761	8.9
195.20505	1.0
201.12753	1.4
205.12300	1.3
207.13812	13.2
211.11124	1.6
229.12248	1.9
257.19016	2.6
261.14871	1.6
273.06290	1.4
275.20071	12.5
299.20020	1.4
317.20917	1.5
331.22739	3.0
349.17587	4.9
349.23767	100.0
350.24200	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03943	10.5
55.01880	10.2
55.05278	2.1
55.05516	35.1
57.03439	33.7
57.07065	3.0
58.94543	1.6
59.04978	1.7
65.03934	2.8
67.05507	64.6
69.03423	2.9
69.07073	48.0
69.69803	10.1
71.04988	5.5
71.08627	2.2
79.05495	66.8
81.03435	16.1
81.07059	100.0
83.04988	11.5
83.08621	26.5
85.06538	7.8
91.05483	70.9
93.07044	59.4
95.01337	8.2
95.04968	22.6
95.08614	46.0
97.06535	19.3
97.10172	6.1
98.20819	1.8
99.04465	4.1
99.08091	3.7
103.05436	2.1
105.04505	1.9
105.07032	71.3
107.04959	27.9
107.08601	38.8
109.06537	26.0
109.10161	14.2
111.04448	1.7
111.08083	7.6
115.05449	3.9
117.07014	23.0
119.04914	1.9
119.08585	51.2
121.06519	9.4
121.10150	23.0
123.04412	2.2
123.08066	10.8
123.11700	5.4
125.09641	4.8
128.06209	2.7
129.07014	6.5
130.07767	2.2
131.07603	2.3
131.08577	34.9
133.10138	42.3
135.08076	7.8
135.11691	14.0
137.09610	5.8
139.07571	1.8
141.06966	3.4
142.07898	1.9
143.08556	8.9
144.09277	2.6
145.06500	5.4
145.10135	28.3
147.08064	4.3
147.11693	24.1
149.09636	17.9
149.13271	9.4
151.11111	3.8
153.12695	3.3
157.10124	6.4
159.08038	2.8
159.11690	26.3
161.09636	4.4
161.13194	8.6
163.11168	14.5
163.14880	4.6
165.09103	2.3
165.12697	4.2
169.10144	4.8
171.11737	3.8
173.13243	9.2
175.11264	3.2
175.14743	1.7
177.12761	7.4
179.14264	10.2
183.11739	4.2
185.13269	4.3
187.11142	3.4
187.14825	2.9
189.11247	2.1
189.12831	3.1
191.14464	2.0
195.13823	3.1
197.13295	4.8
201.12711	1.8
201.16365	3.7
203.14360	3.3
205.12270	2.6
213.16342	1.9
215.17894	1.7
219.13968	1.9
219.17450	51.8
219.88205	1.5
229.15848	2.1
229.19521	7.0
239.18024	6.1
247.20625	6.3
257.19061	21.3
275.20074	90.8
293.21188	4.5
294.73431	1.7
331.22821	2.8
349.20236	4.1
349.23755	90.2
350.24152	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03944	7.4
53.05177	1.5
55.01877	17.7
55.05274	2.0
55.05520	34.1
56.51967	1.6
57.03444	20.4
57.07084	2.8
64.00589	1.6
65.03930	2.6
66.64548	1.6
67.05512	54.1
69.03425	4.8
69.07074	48.0
69.28417	7.3
69.28841	7.7
70.06583	2.0
71.04974	3.9
79.05500	77.1
80.05862	1.7
81.03408	6.5
81.07064	98.1
83.04996	9.2
83.08631	16.9
84.04497	2.4
85.02903	2.5
85.06542	6.0
85.35530	1.8
91.05490	58.2
93.07054	50.1
95.04987	13.8
95.08620	37.6
97.06544	22.5
97.10180	10.7
98.20776	2.9
98.63924	1.6
99.08066	2.8
103.03909	1.6
103.05460	1.8
105.07043	61.1
107.04962	24.7
107.07880	3.1
107.08606	63.1
109.06526	37.9
109.10164	16.0
109.82217	1.4
111.04472	2.8
111.08077	5.3
113.09622	2.7
115.48475	1.6
117.07033	20.4
119.08589	45.9
121.06525	5.7
121.10160	22.5
123.04468	2.0
123.08073	6.4
123.11703	4.0
125.09644	6.9
129.07008	9.4
130.07805	2.2
131.08571	33.2
133.06532	3.6
133.10135	41.5
135.08052	11.1
135.11703	11.0
137.09613	6.6
139.11153	1.7
141.07024	3.6
143.08617	8.2
145.10143	54.2
147.08061	3.1
147.11713	29.4
149.09647	27.9
149.13261	8.4
151.11200	6.6
153.66194	1.5
155.08537	2.9
157.10121	9.1
159.11702	23.0
161.09644	3.3
161.13275	9.4
163.11183	18.2
163.14769	2.9
165.09210	1.7
165.12817	4.0
169.10158	4.8
171.10358	2.3
171.11690	11.9
173.09642	2.7
173.13263	13.2
175.07553	1.5
175.11165	2.8
175.14891	2.1
177.12779	4.6
179.14290	8.0
183.11697	7.0
185.13393	2.1
187.11232	5.8
187.14899	4.1
189.11295	5.6
189.12817	2.7
191.10590	1.9
197.13322	6.0
201.12790	1.9
205.12207	3.0
229.19554	6.8
233.15359	2.1
239.17996	15.6
245.09319	2.0
247.20560	7.7
257.19055	36.7
275.20090	85.5
293.21158	4.0
331.22717	5.5
349.09204	6.2
349.23782	100.0
350.24286	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.6
53.03943	16.0
55.01874	19.7
55.05514	34.3
57.03163	1.3
57.03438	23.2
57.07072	2.5
59.04995	1.7
63.08141	1.3
65.03931	3.7
65.26884	1.4
67.05507	78.0
69.03418	2.7
69.07070	62.1
69.69549	6.4
70.06583	1.5
71.05000	3.0
77.03905	2.4
79.05497	79.5
81.02992	2.6
81.03425	32.6
81.07056	97.3
83.04977	16.3
83.08621	14.5
85.06538	5.6
88.37560	1.3
91.05481	78.3
93.07048	76.6
93.07604	1.2
95.01335	23.8
95.04966	22.9
95.08611	63.8
97.06533	37.2
97.10165	8.2
98.21422	2.1
99.08075	2.9
103.05450	1.7
105.04524	2.7
105.07034	89.3
107.04962	45.2
107.07881	2.7
107.08599	42.6
109.06536	14.8
109.10154	18.7
111.04443	2.0
111.08080	5.7
113.09676	1.6
115.05418	2.2
117.07022	29.1
117.76292	1.3
119.08584	57.1
121.06519	9.4
121.10146	19.0
123.04430	4.8
123.08055	10.5
123.11683	3.0
125.09647	8.8
129.07019	4.3
130.07834	2.1
131.04907	1.7
131.08569	40.3
133.06497	4.0
133.09119	3.2
133.10130	65.3
135.08060	9.5
135.11690	15.0
137.09621	5.6
139.07620	1.8
141.07016	5.4
143.08527	7.3
145.06491	5.8
145.10132	30.0
147.08014	2.3
147.11691	27.0
149.09601	22.2
149.13264	13.1
151.07475	2.4
151.11194	4.5
155.08578	4.1
157.10126	6.5
159.08064	3.2
159.11693	26.7
161.09650	2.2
161.13245	11.2
163.11206	8.6
163.14871	2.9
165.09096	2.4
165.12808	2.3
169.10129	6.2
169.12238	2.1
171.11748	6.9
173.13298	7.1
173.68214	1.4
175.11211	2.1
175.14835	2.1
177.12747	9.8
179.14326	34.3
183.11713	2.7
185.13243	1.5
187.11182	7.3
187.14792	2.2
191.14249	3.3
193.12186	1.7
195.13785	2.6
197.13254	4.9
201.12810	2.5
203.14297	1.5
205.12210	4.2
207.13768	2.3
219.13820	2.0
229.19475	5.2
235.46165	1.5
239.17973	6.1
247.20576	5.0
257.18991	15.9
275.20065	100.0
293.20981	1.9
349.23764	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03931	4.6
53.60347	0.9
55.01875	6.0
55.05276	1.8
55.05518	24.1
57.03442	14.7
57.07073	1.7
60.34855	0.9
65.03922	2.1
67.05511	41.3
69.03419	4.3
69.06743	1.4
69.07077	21.0
69.25344	2.4
69.25762	6.3
71.05002	2.7
79.05504	37.1
81.03433	4.2
81.07066	51.1
83.04992	6.5
83.08627	17.9
85.06526	3.0
91.04908	1.5
91.05488	37.5
93.07051	40.9
93.36617	1.0
95.01335	1.4
95.04986	8.2
95.08612	29.8
97.06550	10.0
97.10175	4.8
98.97866	1.1
99.04417	1.1
105.04536	1.2
105.07042	39.0
107.04963	8.1
107.08604	28.2
109.06535	11.3
109.10165	15.2
111.08085	7.5
115.05447	1.7
117.07027	15.2
119.08590	34.2
121.06521	8.4
121.09338	1.3
121.10160	17.3
123.08076	7.6
123.11694	2.8
125.09624	3.5
129.07034	5.5
131.08578	22.4
133.06531	2.8
133.10136	32.4
134.89790	1.1
135.08058	8.5
135.11697	8.9
137.09631	7.1
139.11143	1.0
141.06984	2.3
142.07796	1.5
143.08580	5.7
145.06561	1.3
145.10133	26.5
147.08028	2.8
147.11685	15.0
149.09641	14.7
149.13266	4.1
151.11179	5.4
155.08556	2.2
157.10121	7.0
159.11700	15.2
161.09607	3.8
161.13298	5.6
163.11223	14.9
165.12779	3.6
167.10748	1.1
168.09297	1.0
169.10149	5.5
171.11702	5.0
173.09753	2.3
173.13318	8.1
175.11171	3.3
175.14845	1.9
177.12790	3.2
179.14334	1.5
183.11699	4.2
185.13234	2.6
187.11227	2.8
187.14853	2.1
189.12788	1.3
191.14343	3.1
193.12172	1.4
197.11641	1.0
197.13315	5.1
199.14821	1.8
201.16234	1.2
203.14330	1.0
207.13834	1.9
211.14943	1.3
213.16461	2.0
215.17865	1.7
219.13881	1.4
219.17433	4.6
229.19562	5.6
233.19189	1.6
234.85152	1.1
239.17978	12.4
247.20612	4.7
257.19019	20.2
275.20084	100.0
276.20450	1.6
293.21130	6.0
331.22598	1.4
349.23770	84.8
350.24170	2.1
366.00525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77884	1.0
53.03934	3.4
55.01879	5.0
55.05278	0.9
55.05517	15.1
57.03438	12.1
57.07071	1.5
59.04971	0.7
65.03931	1.8
65.97511	0.9
67.05508	31.0
69.03411	2.0
69.07069	14.4
69.62759	2.4
69.63168	2.9
71.04974	2.1
71.63222	0.8
77.03918	1.4
79.05497	40.3
79.05968	1.9
81.03413	2.8
81.07057	100.0
83.04981	4.0
83.08628	9.2
84.08127	1.0
85.06544	2.1
91.05484	32.0
93.07047	27.8
95.01270	0.8
95.04968	8.7
95.08606	21.4
97.06509	5.7
97.10135	2.5
98.20813	0.9
99.08082	1.6
105.07030	30.1
107.04980	6.7
107.08601	18.4
109.06521	40.8
109.07271	1.9
109.10161	9.7
111.08053	2.5
115.05513	1.2
117.07024	12.0
119.08584	22.3
121.06499	6.3
121.10146	11.1
123.08070	5.2
123.11683	3.6
125.09634	1.8
127.07592	1.0
129.07025	4.6
130.07831	1.7
131.08569	17.7
133.06482	1.9
133.10138	19.1
135.08078	5.3
135.11670	5.2
137.09639	3.9
141.06937	1.9
142.07771	1.6
143.08569	3.9
145.06519	1.6
145.10133	20.9
147.08038	2.5
147.11693	15.1
149.09633	7.2
149.13284	6.0
149.17007	0.8
151.11179	4.5
155.08557	2.9
157.10126	5.7
159.08116	1.9
159.11700	14.9
161.09605	2.6
161.13237	5.4
163.11203	4.7
163.14803	3.4
165.12755	3.8
168.09462	1.0
169.10136	2.6
171.11676	4.3
173.09610	2.1
173.13263	10.0
175.11168	4.4
175.14751	1.6
177.12746	3.0
179.14297	1.7
183.11674	3.1
185.13316	1.5
187.11215	2.1
187.14793	1.4
189.12718	1.4
191.14328	2.5
193.12239	2.6
197.13300	2.0
201.12747	1.7
207.13763	1.2
211.14772	1.0
213.16382	1.8
215.17940	2.3
219.13766	1.8
219.17409	1.6
229.19516	7.0
239.17950	7.0
247.20615	6.5
257.19022	18.2
275.20078	63.8
276.20392	1.1
293.21118	3.5
331.22470	1.1
349.20035	3.4
349.23724	58.1
350.24084	1.5
359.83942	1.0
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
53.03929	2.5
55.01871	6.4
55.05514	17.1
55.05779	0.7
57.03440	14.7
57.07049	2.8
61.23494	0.7
65.03935	2.2
67.05506	32.0
69.03408	2.9
69.07069	20.4
70.58788	1.5
70.59129	1.5
71.04975	2.4
79.05494	29.6
81.03408	1.9
81.07058	51.4
83.04983	8.3
83.08607	8.3
84.08117	1.0
85.06518	1.5
91.05483	25.5
93.07047	32.4
93.07640	1.7
95.04964	9.4
95.08607	22.6
97.06526	7.2
97.10162	3.4
99.08087	1.6
103.05493	0.9
105.07034	31.7
107.04964	9.1
107.08598	21.2
109.05812	1.1
109.06516	17.7
109.10157	10.3
111.08078	2.5
115.05466	0.9
117.07021	9.8
119.08580	20.9
121.06506	11.3
121.10160	11.7
123.08057	7.1
123.11673	3.3
124.05163	0.9
125.09600	1.2
128.06221	0.9
129.07028	3.8
131.08566	21.5
133.06500	3.5
133.10139	21.8
133.42770	0.7
135.08063	5.8
135.11700	6.4
137.05974	1.1
137.09602	2.9
141.06972	2.3
143.08569	4.7
145.06485	3.7
145.10121	19.8
147.08064	3.0
147.11688	15.5
149.09624	9.5
149.13275	4.2
151.11159	4.7
155.08578	2.1
157.10124	4.7
158.10771	0.9
159.08051	2.4
159.11705	13.1
161.09621	3.8
161.13283	3.8
163.07555	1.1
163.11194	7.7
163.14857	1.5
165.12747	1.8
169.10146	2.8
171.11595	3.8
173.09656	3.3
173.11844	0.9
173.13237	7.3
175.11212	3.4
175.14737	1.2
177.12801	4.0
179.10693	0.9
179.14287	2.3
183.11687	3.7
185.13229	1.4
187.11154	3.0
187.14856	1.4
189.12730	0.9
191.14320	2.9
191.90308	0.7
193.12239	1.4
197.13235	2.4
199.14801	1.7
201.12752	3.2
201.16315	1.0
203.17973	0.9
207.13780	3.4
211.14856	1.0
213.16434	1.8
215.14326	2.1
215.17996	1.4
219.13823	3.3
219.17480	0.9
229.19499	3.6
231.17456	1.3
233.15344	1.0
239.17960	5.3
241.04388	0.7
247.20575	5.7
257.19012	22.0
275.20065	100.0
276.20432	1.7
293.21140	9.5
321.09732	1.0
331.22665	0.9
349.09152	4.5
349.19885	4.5
349.23727	59.7
350.24072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01862	1.8
55.05511	4.4
57.03438	3.0
57.07073	0.8
65.03937	0.6
67.05509	7.3
68.43581	0.5
69.07076	4.4
71.04993	1.0
71.52164	0.5
71.52583	0.6
76.05733	0.5
79.05495	8.9
81.03428	1.2
81.07055	8.1
83.04974	1.5
83.08626	1.6
85.06527	1.0
89.98803	0.4
91.05480	8.0
93.07044	9.7
95.01283	0.6
95.04974	2.7
95.08603	2.8
97.06548	2.2
97.10149	1.2
98.42980	0.5
105.07037	7.0
107.04970	2.4
107.08598	6.4
109.06569	2.3
109.10159	2.1
111.04465	0.5
111.08064	0.7
117.07031	2.4
119.08584	4.4
121.06520	0.9
121.10149	3.1
123.08107	1.5
125.09637	1.5
129.06969	0.7
131.08543	4.1
133.10164	5.4
135.08051	0.8
135.11684	0.9
137.09610	0.6
143.08592	0.7
145.10132	4.3
147.08012	0.7
147.11679	3.0
149.09624	2.2
149.13263	0.6
151.07405	0.6
151.79272	0.5
156.09268	0.7
157.10120	0.6
159.11752	2.5
161.13284	1.3
163.11201	0.9
169.10146	0.6
171.11725	0.8
173.13364	1.1
177.12769	0.7
179.14433	0.8
184.41774	0.5
189.11288	0.5
195.11913	0.5
239.17958	1.0
257.19064	2.5
269.10587	0.6
272.26001	0.5
275.20062	11.8
275.22800	0.9
279.11926	1.2
285.09952	0.8
349.19891	100.0
349.23752	10.8
350.20160	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03925	5.9
55.01874	13.4
55.05275	2.6
55.05515	37.2
57.03438	16.7
57.07077	1.5
59.05002	2.3
65.03934	2.2
66.38601	1.6
67.05507	55.1
67.97860	1.6
69.03422	5.0
69.07069	35.9
69.25727	14.7
71.04987	3.1
79.05498	80.8
81.03419	4.0
81.06601	3.4
81.07060	60.6
83.04991	9.7
83.08624	18.5
85.06542	3.2
91.05484	56.8
93.06488	3.1
93.07050	46.9
95.01321	2.0
95.04970	12.4
95.08608	32.4
97.06523	19.0
97.10178	12.5
99.08121	2.2
105.07039	70.4
107.04963	20.5
107.08596	83.5
109.06501	10.5
109.09598	1.6
109.10179	19.4
109.17699	1.6
111.08091	4.9
115.05470	1.7
117.07021	24.0
119.06052	1.6
119.08582	40.1
121.06490	4.4
121.10159	20.4
123.04443	2.2
123.08075	6.5
123.11692	2.8
125.09653	11.8
128.06186	2.9
129.06998	8.1
130.07771	2.4
131.05040	1.5
131.08578	33.6
133.06474	2.9
133.10138	39.9
135.08058	7.4
135.11703	12.4
137.09592	5.5
139.11189	2.2
141.06976	3.1
143.08530	7.6
143.10768	2.2
145.10135	76.3
147.11688	30.9
149.09616	23.9
149.13300	3.0
151.11179	4.2
153.09097	2.3
155.08589	3.9
157.10155	8.7
159.11702	22.5
161.09599	4.4
161.13249	9.0
163.11215	12.7
165.12759	2.4
169.10141	5.4
171.10251	2.7
171.11638	12.4
173.11826	2.6
173.13242	9.4
175.11310	3.0
177.12746	5.7
179.14316	3.4
181.12198	2.9
183.11710	7.8
185.13231	3.1
187.11179	4.4
189.11316	10.8
189.12804	2.6
193.12228	2.4
197.13284	5.6
215.17821	1.9
229.19542	5.3
229.80232	1.8
233.15344	2.1
239.17947	18.4
247.20662	3.6
257.19016	57.5
275.20078	78.7
293.21066	2.2
331.22736	6.8
349.09299	2.5
349.20221	5.4
349.23746	100.0
350.23926	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01866	1.7
55.05501	1.7
57.03424	2.0
61.02930	2.6
61.19319	1.2
69.03430	15.0
69.07069	2.0
69.94593	3.4
69.94991	3.0
70.06576	3.4
71.04995	8.7
72.08129	2.0
81.03423	28.2
81.07052	1.3
84.04528	7.6
84.08142	3.2
85.02909	58.9
85.04871	1.5
86.09705	3.1
97.02895	5.2
98.20706	1.2
99.04465	29.9
103.03953	57.5
104.04263	1.6
109.02901	24.4
127.03923	100.0
145.04982	13.7
150.15727	1.5
151.03952	2.4
153.09120	1.7
171.10136	2.5
187.06068	8.3
196.39160	1.3
207.06587	2.2
253.07100	2.8
271.08136	3.7
349.13660	5.9
349.18365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
57.03444	2.6
62.95238	0.8
63.24326	0.9
63.25340	0.9
69.03435	16.5
69.61339	1.3
69.61749	5.0
70.06593	3.6
71.04995	4.6
75.41972	0.9
81.03428	27.6
84.04054	1.0
84.04510	4.4
85.02911	55.5
85.04861	1.3
86.09718	4.7
91.05515	1.1
97.02910	3.6
99.04461	26.1
100.57572	0.9
103.03950	53.8
109.02886	23.4
115.40226	0.9
127.03929	100.0
139.03896	1.1
145.04968	10.1
151.03931	8.1
179.07143	2.7
180.45029	1.1
180.90582	1.0
187.06003	7.4
187.09882	1.0
207.06491	5.9
247.11827	1.7
253.07173	3.6
271.08099	2.1
297.56870	1.0
303.38608	1.0
349.13593	2.3
365.48706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0919
Annotation	1,7-Dihydroxy-2,3,4,5-tetramethoxy-xanthone
Peak:m/z	Relative Intensity
53.03942	3.1
53.34344	0.7
54.09357	0.9
55.01871	2.3
55.05520	4.7
56.56431	0.7
57.03426	1.6
65.03955	4.2
66.04722	1.3
67.05514	10.8
69.03437	1.1
69.07072	4.8
71.05005	1.1
71.52662	1.1
76.02202	0.9
78.04723	1.0
79.05497	10.1
79.52658	0.7
81.03415	3.5
81.07065	11.2
82.10445	0.9
83.04991	1.8
83.08624	2.6
84.04494	1.1
85.02901	1.2
85.06560	1.2
91.05493	7.7
93.03396	1.4
93.07067	7.3
94.04192	1.0
95.01342	1.4
95.04981	22.7
95.08621	7.5
96.05781	4.0
97.06514	3.6
103.05471	0.7
105.07039	9.5
107.04962	3.1
107.08596	6.0
108.02121	2.1
109.02904	2.3
109.06520	6.4
109.10161	3.3
110.03664	2.7
111.04469	4.3
111.08090	1.6
115.99469	0.8
117.07024	3.0
119.08586	6.4
121.02842	0.9
121.10142	4.0
123.04434	2.6
123.08047	3.3
124.05222	18.0
125.05991	4.6
125.09656	2.1
129.07022	1.7
131.08580	4.3
133.10136	6.9
135.08057	1.6
135.09030	0.8
135.11635	1.6
137.02350	1.5
137.05925	0.7
137.09639	1.2
139.03911	0.9
139.07559	3.4
141.05489	5.1
143.08577	1.1
145.10162	7.3
147.11711	3.9
149.02316	0.7
149.09615	3.2
149.13286	1.3
151.00209	0.9
151.03914	2.1
151.07561	1.7
154.02626	1.7
155.08559	0.8
157.10089	1.2
158.02786	1.2
159.08180	0.9
159.11745	4.1
161.13307	1.4
163.11179	1.4
167.03319	0.7
169.04994	3.0
169.10139	1.0
171.11688	1.2
173.13258	1.8
177.12791	1.0
179.03299	0.9
182.05734	0.9
183.11716	1.4
189.05559	1.1
189.12814	1.0
195.02878	4.9
197.04480	3.4
197.13297	1.0
199.14777	0.7
214.57205	0.8
219.17566	0.9
227.66144	0.8
232.03679	2.2
233.04814	1.0
234.12428	0.8
235.06015	1.2
239.18004	2.4
248.03116	2.7
257.19049	7.1
263.05478	1.6
275.05508	3.3
275.20062	9.3
291.05014	6.0
306.07364	1.7
320.60110	0.8
321.09692	29.5
349.09207	100.0
349.19946	5.0
349.23788	13.0
350.09616	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0919
Annotation	1,7-Dihydroxy-2,3,4,5-tetramethoxy-xanthone
Peak:m/z	Relative Intensity
51.31686	0.3
53.03942	1.3
55.01863	1.3
55.05519	2.0
56.46433	0.3
57.01878	0.4
57.03431	0.9
57.07063	0.5
60.34320	0.3
63.44012	0.4
65.03945	5.3
66.04719	1.0
67.05514	6.0
67.05849	0.7
68.99798	0.5
69.03427	0.7
69.07063	1.6
69.79818	2.1
71.04975	0.8
77.37180	0.4
78.04715	1.6
79.05495	5.4
81.03425	3.6
81.07058	4.7
83.04974	1.4
83.08605	1.4
84.08157	0.5
85.02917	0.6
85.06554	0.6
91.05487	3.6
93.03409	1.8
93.07053	2.9
94.04179	0.9
95.01325	1.1
95.04974	23.3
95.08601	2.2
96.05762	4.4
97.06528	1.7
100.11256	1.1
103.05486	0.7
105.03407	0.5
105.04498	0.6
105.07030	3.8
106.04212	0.6
107.04949	1.5
107.08604	3.3
108.02095	2.1
109.02884	3.4
109.06516	3.0
109.10165	0.9
110.03669	3.1
111.04438	4.3
111.08093	0.8
117.07009	1.0
119.08575	2.5
121.02863	1.0
121.06516	0.6
121.10153	1.0
123.04446	2.4
123.08069	1.5
124.05218	19.6
125.06008	5.4
125.09635	1.1
126.03171	0.9
129.07040	1.0
131.08578	1.6
133.06517	0.6
133.10117	1.7
133.49489	0.4
135.04404	0.6
135.08026	1.2
135.11632	0.5
137.02342	1.2
137.05956	0.7
138.06760	0.4
139.03896	0.8
139.07529	3.6
141.05475	4.7
141.11551	0.4
141.63353	0.3
143.08553	0.7
145.06520	0.4
145.10138	3.0
147.11688	1.1
149.05995	0.7
149.09628	1.0
149.13295	0.5
151.00240	1.6
151.03908	3.0
151.07558	1.5
152.04678	0.5
154.02631	2.3
157.10136	0.6
159.07967	0.4
159.11732	1.4
161.09666	0.4
163.03853	0.5
163.11197	1.5
166.02652	1.2
167.07025	0.7
169.01266	0.5
169.04977	2.1
170.15382	0.5
173.13164	0.5
177.08965	0.4
179.03362	0.6
182.02148	0.4
182.15395	0.4
183.11682	0.4
187.11226	0.8
187.14830	0.4
189.05554	0.5
195.02911	5.5
195.06296	0.4
196.03688	1.1
197.04448	4.1
197.13315	0.4
198.14871	0.5
201.12738	0.4
205.04971	0.6
210.14775	0.5
212.09383	0.4
217.05061	0.6
229.19630	0.5
231.03056	0.5
232.03728	2.1
235.06055	1.4
239.17952	0.5
243.06343	0.5
245.04454	0.9
247.06097	0.6
248.03188	2.5
257.04535	0.5
257.19019	1.6
260.03134	0.5
263.05533	1.1
273.04001	0.8
275.05453	4.3
275.19992	3.1
289.07077	0.6
291.05017	4.3
303.27362	0.4
306.07416	0.9
307.01941	0.6
317.11188	0.8
321.09705	30.4
322.09778	0.4
331.01596	0.6
331.19107	0.8
349.09198	100.0
349.20013	2.1
349.23779	4.5
350.09460	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
53.10205	1.5
55.01864	4.0
55.05515	17.0
57.03426	5.9
57.07073	1.4
59.04983	2.2
67.05507	56.4
69.03403	2.0
69.07068	9.7
70.39400	5.1
71.04994	3.5
71.08627	6.3
79.05488	11.5
81.06601	2.0
81.07064	33.9
83.04964	4.6
83.08627	15.4
85.06543	2.4
91.05477	11.5
93.07046	16.3
94.59432	1.2
95.04955	4.7
95.08630	14.8
97.06519	3.8
97.10163	13.1
98.20769	1.5
99.08088	5.7
105.07063	9.0
107.08598	12.0
109.06509	4.8
109.10166	52.5
111.08092	6.1
117.07031	3.7
119.08583	11.3
121.10144	7.2
123.08076	2.2
123.11708	2.5
125.06002	2.8
125.09657	9.2
131.08551	5.2
133.10168	7.5
135.11670	5.0
136.06133	4.8
137.09596	5.9
139.11157	2.3
143.08563	1.9
143.10748	1.5
145.10112	3.5
147.11659	3.8
149.09645	2.6
149.13281	8.0
151.11147	3.9
155.10703	23.4
157.10092	1.8
159.11737	4.2
161.13257	4.3
163.11176	2.6
167.22861	1.7
171.11655	2.0
173.11754	100.0
177.12758	2.5
179.14325	4.6
181.12268	1.8
189.11221	13.9
190.14412	2.8
195.13821	20.0
213.14804	9.3
221.15225	1.5
241.19435	2.1
259.20551	2.9
275.20001	5.0
277.21646	31.9
289.18024	3.1
295.22699	24.8
348.22235	3.2
349.23724	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	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.05492	3.1
65.70110	1.3
69.07055	2.1
70.06591	7.3
71.05001	2.0
71.26753	2.8
72.08155	2.6
81.03429	1.6
81.07055	3.8
83.04967	2.2
83.08599	2.3
84.04504	3.5
84.08164	6.6
85.02894	4.2
85.12637	1.1
86.09700	5.5
95.08599	1.3
97.02894	1.9
103.04012	1.5
110.07167	2.5
116.07111	1.3
120.08080	2.2
127.03956	2.9
129.10208	2.2
130.36418	1.2
144.07935	1.2
147.04419	3.2
151.11214	1.4
169.12209	2.0
173.08009	1.8
185.04153	1.6
187.03661	1.7
207.06551	2.3
234.07419	1.3
247.04420	1.5
265.05521	2.2
331.12924	2.2
349.08966	100.0
349.13120	5.0
349.18594	6.0
350.09351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
53.03990	3.0
56.96582	3.4
62.86760	3.1
66.17079	3.1
66.72273	3.3
69.03457	3.3
69.06604	2.7
69.26691	2.9
70.06590	4.3
70.12420	5.2
70.12829	9.9
84.08150	5.2
85.02896	5.0
86.09701	19.9
87.10042	4.4
117.54662	2.8
132.10193	12.7
133.10529	7.1
136.06195	6.3
136.45239	3.0
137.06567	6.9
155.08688	3.0
156.41309	4.2
167.14275	3.1
181.04761	3.0
189.22185	3.5
192.61394	3.0
199.83659	3.2
251.11110	3.3
348.89966	3.0
348.99377	3.9
349.08780	100.0
349.13763	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	348.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01846	0.6
55.05498	1.7
57.03417	1.2
58.73033	0.5
59.05009	5.5
61.02906	1.5
67.05505	3.8
69.03416	2.6
69.07055	1.3
69.95111	2.7
70.06590	0.6
71.04998	4.8
79.05470	0.9
81.03416	1.5
81.07053	10.1
83.04967	0.9
83.08614	0.6
84.04504	7.8
85.02903	14.6
86.09739	1.1
87.02687	0.5
91.03957	0.6
91.05426	0.9
93.07033	1.9
95.04946	1.4
95.08572	1.7
97.02899	2.9
97.06535	1.3
99.04449	5.3
100.11248	2.6
103.03938	2.6
105.06985	1.3
107.08586	5.6
107.10757	0.6
109.02845	0.9
109.06526	3.6
109.10158	13.0
111.08080	27.1
113.05999	1.6
120.06223	0.6
123.08054	4.6
123.11703	25.1
125.09592	1.9
126.05514	1.7
127.03915	3.2
133.10135	1.4
136.06215	0.8
141.11693	0.6
141.12752	4.3
144.14957	0.6
145.04968	3.0
151.07640	0.6
151.11171	10.0
169.12236	100.0
170.12630	0.9
182.15376	1.0
204.08519	0.8
226.55469	0.6
229.82004	0.6
243.16969	0.6
262.13864	0.7
330.18060	1.2
331.17529	3.4
339.25125	1.1
348.12970	2.7
348.25934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1765
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
56.05029	10.8
57.03441	4.2
58.06598	5.0
70.02950	4.8
70.06592	2.8
71.51394	2.2
74.06091	47.6
78.79474	2.1
82.06562	6.7
84.04047	3.1
84.04513	31.1
84.08157	3.5
86.06042	2.2
86.09712	64.3
88.03996	23.2
91.43079	2.1
97.02919	1.9
100.07638	15.2
101.07186	1.9
101.69820	1.9
105.07040	2.6
110.06034	3.3
111.05553	6.5
112.03955	5.6
120.08106	2.2
124.11255	2.3
125.07150	2.7
126.05535	53.7
129.05756	2.3
129.06612	12.4
130.05019	2.1
132.10223	31.2
136.03915	2.7
136.06172	14.1
137.87054	2.1
141.13843	2.4
144.06569	100.0
153.06612	7.6
154.04955	4.4
169.13387	4.3
170.09261	2.3
171.07669	15.4
187.14459	4.0
189.08717	95.9
197.12880	5.9
198.08685	2.9
199.07141	7.6
215.13780	2.0
217.08229	82.7
227.17580	3.8
233.14975	8.7
243.13438	4.6
284.16077	7.9
312.15570	4.5
330.16638	18.9
348.17386	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	347.2582
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
51.90966	0.5
55.01862	1.8
55.05502	1.9
59.04988	0.8
67.05504	2.8
69.07079	3.2
69.82729	3.1
71.04967	1.0
75.04501	1.0
79.05490	3.6
81.07051	5.7
83.04974	2.2
83.08623	1.4
85.06527	1.6
89.06010	0.6
91.05477	4.6
93.07054	4.6
95.08614	3.1
97.06554	1.3
99.04460	0.6
99.08099	1.1
105.07042	4.3
107.08611	4.1
109.06509	2.6
109.10161	2.2
115.07568	2.3
117.07005	1.1
119.08597	3.8
121.06500	0.9
121.10166	5.9
123.08056	2.5
123.11704	1.2
131.08582	1.8
132.06633	0.5
133.06491	1.0
133.10155	2.9
135.08061	87.8
137.09601	1.1
139.11179	0.6
143.08565	1.1
145.10168	2.0
147.08130	0.9
147.11699	1.7
148.08849	1.2
149.09637	3.6
149.13235	0.9
155.08487	0.5
157.10181	1.5
159.11728	1.2
161.09647	5.5
161.13188	0.8
163.11252	1.3
171.11671	0.9
173.13269	0.8
175.11288	0.6
177.12762	42.8
185.13237	1.4
187.14879	0.7
190.13574	0.7
191.14305	1.9
197.13301	0.6
227.14241	0.9
241.19408	1.2
258.05740	0.7
273.22119	3.7
283.20663	1.9
291.19492	0.9
305.21130	0.8
315.23172	3.4
329.24826	1.4
347.25848	100.0
348.26160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2581
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
51.23648	0.9
52.12803	0.6
55.01873	1.9
55.05510	1.8
57.07079	0.8
59.05008	0.8
67.05502	2.1
69.07075	3.2
69.68468	0.5
71.04950	0.7
71.08632	0.6
73.74575	0.6
79.05489	3.1
81.07067	5.3
82.57766	0.7
83.04983	2.1
83.08620	1.0
84.69592	0.6
85.06510	0.6
91.05471	4.1
93.07047	3.9
95.08607	4.9
97.06560	1.7
99.08090	1.3
105.07035	4.2
107.08602	4.5
109.06527	2.9
109.10155	2.4
111.08064	0.8
115.07610	1.8
119.08586	3.5
121.10141	4.7
122.07249	0.9
123.08096	2.7
123.11715	0.7
128.06186	0.8
131.08655	1.2
133.10194	3.1
135.08064	94.4
135.11667	2.0
136.08389	0.7
143.08530	0.9
145.10130	2.9
147.11682	1.9
148.08829	0.9
149.09641	4.6
149.13292	0.9
156.09419	0.8
157.10101	2.2
159.11668	2.1
161.09642	5.6
161.13185	1.6
163.11188	1.6
169.10246	0.7
171.11642	1.0
173.13237	1.4
175.14757	0.7
177.12758	46.7
185.13271	1.9
190.13496	0.8
191.14328	0.9
195.11682	1.5
199.14871	0.9
203.26094	0.6
227.14331	0.8
241.19551	1.9
260.47855	0.6
273.22183	3.9
283.20758	0.9
291.19556	1.2
315.23206	2.4
329.24710	0.9
347.25842	100.0
348.26141	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	0.7
67.05499	0.7
71.09370	0.7
75.04472	0.4
81.07050	1.0
88.47367	0.4
89.06994	0.5
91.05453	1.0
93.07047	0.9
95.08612	1.1
105.07018	0.9
107.08581	0.7
109.10152	0.6
110.03645	0.4
119.08588	1.2
121.10172	1.3
123.08070	0.4
131.08589	1.0
133.10075	0.7
135.08054	1.5
147.11687	0.5
149.01233	0.5
159.11618	0.6
163.11157	0.8
171.11710	0.6
185.13231	0.6
195.11871	0.4
251.18001	0.4
273.22565	0.4
277.14120	1.0
291.59360	0.4
347.21942	100.0
348.22400	1.5
367.68631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01876	15.0
55.05514	45.2
57.03438	5.8
59.05001	3.2
60.04524	3.6
63.32491	1.9
65.03945	2.5
67.05508	45.6
69.03421	5.4
69.07071	32.5
69.86357	9.6
71.04997	23.0
79.05495	30.8
81.03422	8.1
81.07056	43.0
83.04974	12.6
83.08154	3.1
83.08622	40.2
84.04499	2.8
85.02913	8.0
85.06543	17.1
88.25928	1.7
91.05479	29.5
93.07043	47.2
95.04967	26.5
95.08604	29.0
97.06523	9.4
97.10188	16.7
99.08095	5.5
100.11250	2.7
101.06038	2.4
105.04527	2.0
105.07034	23.0
107.04932	5.5
107.08591	32.6
109.06528	6.7
109.10163	21.2
111.08061	15.0
113.05997	2.4
117.07009	10.1
119.04929	3.0
119.08582	18.5
121.06550	4.7
121.10142	29.0
123.08033	3.7
123.11710	4.9
125.09634	51.4
127.11201	5.0
129.07011	5.2
129.09143	19.5
131.08574	16.9
133.10143	13.5
135.08093	8.9
135.11703	5.2
137.09613	6.5
137.13203	2.1
139.11174	16.4
143.08560	6.0
145.10138	14.3
147.04416	4.3
147.08049	4.8
147.11697	10.9
149.09636	22.8
149.13260	2.2
153.12802	3.3
155.10683	8.0
157.10118	6.6
159.08061	2.4
159.11737	8.3
161.09621	3.1
161.13249	3.8
163.11160	7.7
165.12784	3.8
167.10706	7.0
171.11722	5.9
173.13257	3.2
177.12701	3.2
181.12303	2.4
182.15424	1.9
183.13857	2.7
185.11732	26.0
185.13210	2.5
189.11295	14.6
193.12289	5.6
195.13795	4.3
197.13321	2.4
201.12769	2.9
203.12758	9.7
205.12157	2.5
210.34456	2.0
211.13211	10.0
215.14333	2.2
223.13243	20.3
229.19403	2.3
239.17964	4.1
247.20474	3.3
255.17453	2.0
257.18872	10.1
273.18430	10.7
275.20084	56.3
293.21127	100.0
295.41129	2.3
311.22223	25.6
329.17380	2.6
329.23264	4.3
347.18365	4.0
347.22305	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	347.1701
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
55.01868	1.4
55.05513	6.1
56.05043	1.2
57.03437	2.1
57.07067	2.4
59.04998	3.6
61.02922	2.0
67.05517	1.7
69.03429	10.0
69.07065	2.4
69.53716	1.8
69.54129	4.8
70.06604	5.3
72.08168	1.2
73.02915	1.3
79.05489	2.7
81.03436	2.9
81.07077	4.9
83.04987	30.4
83.08605	2.2
84.04509	4.1
84.08158	4.8
85.02911	15.5
85.06559	1.5
86.06074	2.7
86.09714	2.9
87.25749	0.9
88.02220	0.9
91.05479	2.4
93.07081	4.6
95.04950	1.1
95.08624	5.0
97.02909	5.0
97.06522	7.7
97.10186	1.5
99.05547	2.4
105.07021	3.0
106.62606	0.8
107.04934	1.5
107.08596	8.0
108.05282	1.1
109.02879	2.2
109.06506	1.9
109.10157	1.9
110.07130	0.9
111.04464	7.7
111.08095	1.2
112.82323	0.9
113.05997	1.3
115.03940	1.9
120.08136	1.2
121.06506	1.8
121.10144	17.1
123.04436	1.3
123.08075	3.1
125.09660	9.4
127.03951	2.3
127.05802	0.9
137.09634	7.3
137.66837	1.0
139.11182	8.8
142.08650	2.2
145.04999	3.0
147.04417	1.3
149.09657	5.9
159.05968	1.3
163.03922	1.0
167.10687	100.0
175.05309	1.2
181.04964	8.1
182.05338	1.7
185.11739	21.9
203.05249	3.8
261.12793	1.4
285.13077	2.9
301.12726	5.9
303.13727	5.7
310.27542	1.0
329.03180	1.1
347.09308	1.4
347.13068	23.4
347.16861	3.7
347.21506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	30.9
63.27613	3.4
65.04702	3.2
67.05509	86.1
69.03433	4.5
69.07069	30.3
70.84623	6.0
70.84947	5.4
71.04971	8.3
79.05505	37.6
81.07059	61.5
83.04956	7.1
83.08606	16.9
91.05484	28.6
93.07046	36.2
95.04965	3.5
95.08609	23.9
97.06541	7.9
97.10175	23.9
105.07041	21.0
106.10191	4.0
107.08587	40.9
109.10162	68.9
110.35753	3.9
111.08147	4.5
117.07008	5.2
119.08600	21.1
121.10116	13.6
123.11722	4.4
125.09621	14.9
131.08566	11.3
133.10123	20.9
135.11679	7.7
137.09599	7.9
145.10155	6.2
147.11676	12.5
149.09601	8.6
149.13234	13.5
155.10670	41.5
159.11687	15.0
162.36809	3.8
163.13718	4.1
173.11746	100.0
173.13091	4.6
177.12746	7.9
179.14201	4.5
189.11226	25.2
195.13870	36.5
213.14847	21.5
257.19031	8.7
275.20068	76.9
293.21075	20.4
352.29236	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.124
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
54.15320	0.3
55.01883	2.5
55.05505	0.4
65.03945	3.3
67.05507	4.7
68.05025	0.6
69.03429	0.5
69.07066	0.9
69.32925	0.4
70.06582	2.2
71.05005	0.6
71.51873	0.6
72.08159	0.7
79.05479	0.5
81.07042	0.8
83.04990	0.4
84.04502	1.8
84.08138	1.9
85.02897	1.4
85.06553	0.5
86.09693	2.0
87.10068	0.3
91.05489	0.9
92.05013	11.7
93.03428	0.4
93.07042	0.7
94.06561	1.6
95.04989	2.3
95.08638	0.6
96.04501	1.6
97.02898	0.5
97.06566	0.5
107.08566	0.7
108.04495	1.0
109.02827	0.5
109.10178	0.5
110.06036	1.0
110.07122	0.4
111.04443	0.5
113.06037	0.4
119.04990	0.4
120.04469	6.4
120.08112	0.9
121.10126	0.8
122.06025	3.2
123.11721	0.4
125.06001	0.4
125.09645	0.4
129.07004	0.4
129.10245	0.6
130.06551	0.4
131.08591	0.3
136.07590	1.6
137.05984	0.7
138.05511	11.4
140.06996	0.3
143.06987	0.4
143.08594	0.5
145.04962	0.5
146.06000	1.3
148.03963	1.1
149.13312	0.6
153.06999	0.8
154.06494	0.6
155.08521	0.6
156.08025	0.4
158.06021	0.5
158.09692	0.5
159.09189	0.4
162.05496	0.7
164.07079	6.4
166.04996	7.8
166.06302	0.5
167.07179	0.5
167.10687	1.1
168.06551	0.4
168.08116	0.7
169.08835	0.5
170.05971	0.7
170.08463	0.4
170.09708	2.5
172.07581	1.1
176.07050	1.4
180.08038	0.8
181.04959	0.5
182.06288	0.4
182.08151	7.2
182.09509	0.3
182.11263	0.3
183.06805	1.3
184.07561	1.1
184.11287	0.8
185.07057	0.6
185.10585	0.6
185.11945	0.7
185.15428	0.5
186.07671	0.5
186.09193	0.9
187.08684	1.2
187.12357	0.4
187.14439	0.5
188.14839	0.4
194.09723	0.4
196.07619	1.7
197.08398	1.0
198.09210	9.0
199.08658	3.3
200.07133	0.4
200.09468	1.0
201.10236	1.5
208.06058	1.1
209.10826	0.4
210.09210	1.0
211.06413	0.3
211.08675	0.5
212.07092	0.5
212.10727	3.2
213.06427	1.9
213.10237	7.3
214.08658	2.2
214.11023	1.4
215.08217	1.4
222.09320	0.4
223.08630	0.8
224.07060	0.9
224.09233	0.4
226.08699	16.7
227.08107	6.0
227.11589	2.1
228.08977	1.1
229.09756	1.1
231.11244	1.3
237.10248	0.7
238.08691	1.4
239.11801	0.8
240.10326	4.0
241.09732	24.8
242.08250	0.8
242.10492	2.9
247.10631	0.5
250.08607	0.4
251.08138	0.8
252.08829	0.4
255.11319	5.9
256.09686	2.3
257.09335	1.0
258.11261	1.6
259.10822	5.4
260.11603	1.5
265.09747	2.0
266.08081	0.9
267.11343	2.4
268.09766	6.0
269.09204	6.9
273.12317	1.6
275.10236	0.4
283.10791	6.2
284.09113	2.1
286.10776	4.6
287.10257	14.4
293.09274	1.0
301.11829	14.0
302.09991	0.6
311.10236	5.1
319.12930	5.4
329.11292	5.3
329.14993	0.5
347.12384	100.0
348.12671	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
53.93568	0.6
54.12551	0.6
55.01850	0.9
57.03427	1.9
59.73932	0.5
61.02930	2.8
65.03948	0.6
66.84193	0.6
69.03431	5.6
70.06576	1.5
70.97374	0.9
70.97697	0.9
71.04989	0.6
71.80495	0.6
72.08175	2.9
73.02909	0.9
79.05478	2.0
81.03426	3.0
81.07037	1.3
82.06563	0.7
84.04497	0.7
84.08116	1.0
85.02905	24.0
85.08443	0.6
86.09678	1.2
87.04445	0.6
88.04011	0.7
91.03949	0.8
91.05492	0.8
96.08129	1.9
97.02896	6.7
98.20824	0.6
99.04460	1.7
106.06598	0.8
107.04957	100.0
109.02889	1.5
110.07170	0.8
116.07121	0.9
120.08083	1.1
120.08968	0.6
124.07583	2.6
127.03934	4.0
129.10280	0.8
134.06000	0.8
137.05948	1.2
145.04956	5.8
149.09644	0.7
152.07057	8.1
166.08672	0.9
167.07042	48.0
180.08649	3.5
184.09683	13.9
187.10815	1.3
207.13779	0.7
215.10258	0.8
229.11813	0.7
255.11020	0.7
299.98804	1.2
346.14767	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	346.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01871	5.8
55.05501	2.8
56.05020	4.7
56.96554	5.4
57.03441	6.3
61.02913	10.1
65.03931	8.9
67.05507	5.9
69.03156	2.2
69.03439	25.4
69.07067	10.2
70.06597	21.0
70.68421	6.9
71.05001	2.9
72.07883	1.9
72.08163	19.9
73.02921	4.8
74.00653	3.2
74.06055	2.4
79.74902	1.9
81.03419	8.1
81.07053	5.5
82.04204	3.5
83.06116	4.6
84.04489	9.1
84.08128	10.1
85.02913	100.0
86.09715	79.3
87.04458	4.0
88.03998	2.8
91.03939	6.1
91.05466	2.5
95.08629	3.8
97.02905	23.2
97.06520	3.5
99.04469	5.6
101.02380	2.7
107.04968	74.6
107.08588	5.4
107.21623	2.1
109.02882	9.0
110.03615	2.8
110.07159	5.7
110.97575	3.0
111.04398	2.7
116.07103	10.7
120.08100	6.4
120.99582	9.9
121.02867	2.9
121.06509	3.2
121.10143	5.6
125.06004	7.9
127.03952	22.8
130.05000	2.4
136.07578	2.2
138.02214	20.8
145.04985	33.3
145.06038	4.3
149.05994	25.4
162.05865	2.8
162.07602	3.4
163.06107	3.5
166.08601	7.7
167.07039	12.7
171.06523	5.6
173.05891	4.2
173.13214	3.4
180.08653	17.2
181.04968	85.7
182.05284	5.6
184.09682	16.6
191.14316	9.2
199.18045	17.4
209.15402	7.5
215.06998	8.0
227.17563	6.8
233.08104	7.2
243.01657	2.7
255.01768	5.9
259.50214	2.8
273.02881	13.5
275.04688	2.5
275.09094	2.6
291.03851	9.0
337.19232	3.0
346.15192	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	345.2634
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.03942	8.9
55.01870	8.7
55.05514	30.4
57.03437	6.9
60.86959	3.0
65.03938	4.8
67.05508	91.8
68.66882	2.9
69.03436	4.5
69.07070	42.8
69.27722	25.4
71.04996	29.0
79.05495	72.3
81.06589	7.0
81.07057	100.0
83.04979	12.4
83.08636	21.2
85.02903	4.1
85.06560	22.0
91.05483	37.2
93.06485	5.3
93.07050	75.6
95.04961	13.7
95.08614	74.9
97.06531	17.6
97.10175	18.9
99.08100	16.5
105.07020	28.1
107.04954	5.0
107.08592	50.8
109.06493	6.4
109.10159	35.5
111.04456	9.3
111.08102	14.6
117.07002	12.0
119.08567	29.1
121.06467	4.1
121.10155	80.0
123.08066	9.0
123.11738	8.4
125.09631	19.0
129.07027	8.3
131.08583	22.9
133.10121	25.2
135.08058	9.0
135.11699	50.7
137.09647	6.7
139.11177	16.2
143.08559	9.6
145.10144	17.5
147.08055	8.4
147.11693	12.4
149.09612	14.2
149.13257	15.6
157.10167	7.3
159.08127	3.8
159.11693	14.3
161.09612	5.4
161.13217	8.0
163.11156	8.2
163.14815	3.8
165.12787	3.0
167.10690	5.3
171.11685	8.3
173.11780	6.6
173.13269	10.6
175.11244	4.3
175.14825	4.3
177.12794	4.9
181.12221	9.5
181.24664	3.6
185.11789	6.8
185.13293	4.1
187.11214	3.4
189.12737	4.4
195.13797	4.4
197.13287	4.1
203.12799	7.2
206.82764	3.0
209.13423	3.2
213.16301	5.3
234.91666	3.5
241.19601	5.0
259.20563	21.2
273.18573	8.5
277.18823	5.4
277.21652	63.9
291.19577	14.7
291.23163	14.4
295.22665	11.0
309.24301	14.5
327.19727	5.4
327.25208	6.3
345.16812	5.7
345.21008	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	345.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	16.0
55.05521	47.1
56.04356	5.5
57.07077	15.5
61.35911	4.9
67.05514	51.6
69.03435	16.5
69.07076	30.0
69.33204	5.2
71.05000	10.0
71.08633	27.2
71.52396	6.2
72.05756	5.8
72.21756	5.6
79.05493	46.1
81.03426	13.0
81.07063	47.5
83.04978	42.8
83.08626	33.1
85.10187	5.9
91.05499	40.0
93.07049	43.8
95.04974	39.9
95.08607	33.7
97.02892	9.5
97.06560	27.5
97.10183	32.9
99.08096	20.1
102.97585	5.9
105.07054	31.5
107.04988	7.5
107.08610	36.1
109.06509	22.8
109.10161	41.6
111.08089	22.5
112.08843	5.3
113.78607	6.3
117.07024	16.7
119.08580	23.2
121.10158	21.1
123.08077	14.2
125.09637	24.4
131.08569	21.6
133.10127	22.0
135.08038	21.5
135.11707	11.7
137.05949	5.8
137.09613	13.3
139.03923	11.8
139.11148	24.4
143.08580	9.8
145.10141	13.1
147.08061	10.5
147.11720	16.7
149.09630	9.0
149.13216	12.9
151.07545	9.3
151.11174	8.5
157.10214	13.1
159.08124	8.1
159.11703	12.0
161.09674	7.2
163.07669	6.3
163.11192	12.5
165.09129	8.3
165.12662	8.6
171.11615	7.7
171.51764	6.2
173.13371	7.7
175.11153	10.9
177.12769	23.7
179.10748	7.1
183.11702	6.2
185.13222	7.0
187.11189	6.0
189.09157	7.3
195.13756	9.3
199.11263	6.5
205.12256	7.1
223.20180	6.4
239.12617	9.2
240.23238	29.8
241.23589	44.7
242.23904	100.0
261.18939	6.6
273.18604	13.2
275.20105	11.6
277.21637	7.5
293.21133	23.5
345.20609	36.7
345.24307	12.3
345.31985	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	345.2063
Annotation	CHEBI:68170
Peak:m/z	Relative Intensity
53.03949	0.7
55.05502	1.3
55.50934	0.7
57.07079	1.5
58.37247	0.6
59.04990	2.3
60.54435	0.6
63.70559	0.6
65.03939	0.9
67.05490	2.6
69.03438	8.1
69.07066	1.4
69.84116	0.6
70.55512	0.7
79.05082	0.8
79.05492	7.6
81.07065	4.8
85.02892	0.7
85.06499	0.7
91.05489	5.6
93.07037	2.7
95.04954	2.9
95.08585	2.1
97.06546	1.1
98.21531	1.7
103.05460	2.3
105.07038	28.2
107.04910	1.6
107.08581	4.0
109.06522	4.1
109.10139	2.4
115.05525	0.7
117.07028	1.6
119.08598	5.7
121.06483	1.7
121.10155	4.5
122.07306	3.7
123.04416	0.8
123.08073	5.5
125.05962	1.5
129.06998	1.0
131.08554	2.7
132.05717	1.1
133.06497	9.3
133.10156	5.6
135.08058	2.6
136.08879	1.6
137.05995	3.9
137.08670	1.2
137.09618	11.5
139.07521	2.6
141.06892	0.9
142.07777	1.6
143.08524	2.2
145.10126	2.4
146.07315	0.8
147.08032	3.9
149.09584	1.5
150.06735	1.5
151.07533	2.3
153.07016	0.7
153.09193	1.0
155.08539	0.7
157.10146	1.8
159.08083	3.9
159.11732	2.6
161.05959	1.9
161.09627	4.4
163.07523	1.3
163.11255	1.5
165.09128	66.6
166.09880	1.3
167.08626	0.8
167.10719	0.9
168.09341	1.1
169.10118	2.2
171.08061	1.2
171.11671	1.2
173.09634	2.2
173.13165	0.8
175.07582	1.2
175.11156	1.9
179.10713	1.8
181.10118	1.2
183.11719	2.0
185.09593	4.1
186.10435	0.8
187.11159	1.5
189.09091	1.9
189.12721	1.1
191.07042	1.4
191.10713	0.9
193.08601	1.4
193.10196	1.2
193.12111	0.7
195.11639	1.0
196.08769	1.4
197.09657	4.2
199.11276	0.8
203.10719	1.1
209.09650	1.0
211.11209	3.3
213.09142	3.4
214.09923	1.3
215.10709	2.9
217.12383	1.1
219.13811	0.9
225.12750	0.9
225.16425	0.9
227.10661	2.4
229.12196	2.3
229.24272	0.8
239.01689	0.7
239.10648	2.3
243.13753	1.1
245.11708	2.0
253.15909	3.8
257.11746	5.3
261.14755	1.2
267.17542	0.9
277.15860	1.2
289.14340	1.5
295.16901	3.0
309.18472	2.9
313.18030	3.2
327.19464	4.2
345.20627	100.0
346.20825	1.4
359.85608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2061
Annotation	Bisphenol A bis(2-hydroxypropyl) ether
Peak:m/z	Relative Intensity
53.03934	1.1
55.05506	1.5
57.07071	1.5
57.19105	0.6
57.96154	0.6
59.04998	1.8
62.82329	0.6
63.19277	0.6
64.51144	0.6
67.05487	2.3
69.03156	0.7
69.03432	8.0
69.07056	1.9
69.44346	2.8
69.44752	1.5
71.04965	0.6
79.05495	9.5
80.31184	0.5
81.07061	4.8
83.04995	0.9
85.06544	1.5
89.43366	0.6
91.05483	5.7
92.43128	0.7
93.07046	4.6
94.05357	0.6
95.04964	3.9
95.08594	2.1
97.06497	1.3
99.04442	0.8
99.08096	0.7
103.05451	2.5
105.07040	26.9
107.04951	1.2
107.08625	3.8
109.06538	4.1
109.10168	2.3
111.08080	1.5
115.05491	1.6
117.07037	1.7
119.08604	6.1
121.06483	1.9
121.10152	4.8
122.07296	2.6
123.04434	1.4
123.08083	6.7
125.05979	1.9
128.06207	0.7
129.07037	0.8
131.08597	3.0
132.05704	1.2
133.06512	9.2
133.10143	4.8
135.08054	2.9
135.11664	0.9
137.05988	4.0
137.09627	12.1
139.07533	1.6
141.06999	1.5
142.07835	1.3
143.08525	1.5
145.10141	2.1
147.08034	4.1
149.05946	0.7
149.09612	1.5
150.06763	1.6
151.07526	2.2
154.07729	0.6
155.08557	1.4
156.09352	0.6
157.10110	2.5
159.08047	3.8
159.11690	2.1
161.05994	1.4
161.09615	3.8
163.07594	1.8
163.11241	1.5
165.09125	65.3
166.09816	1.1
167.08505	1.0
167.10789	0.8
168.09335	1.4
169.10120	1.6
171.08066	1.1
171.11736	1.2
173.09610	1.7
175.07487	1.4
175.11209	1.1
179.10649	1.8
183.11746	1.1
185.09625	3.4
187.11203	1.8
189.09091	1.9
189.12727	1.2
191.07008	1.1
191.10596	0.8
193.08577	1.1
193.10219	0.9
195.08003	0.7
195.11719	0.7
196.08855	1.8
197.09621	2.7
197.13335	0.9
199.07593	0.7
199.11304	1.2
201.12651	1.0
203.10573	0.8
205.08720	0.7
205.12329	0.8
207.10109	0.7
211.11142	3.7
213.09123	3.5
214.10019	1.5
215.10670	3.3
217.12250	1.0
219.13860	0.8
221.09586	0.9
224.12216	0.6
225.12662	1.6
225.16393	0.8
227.10753	1.6
229.12257	2.4
237.12640	1.3
239.10655	2.2
243.13882	1.1
245.11684	1.2
253.12001	0.7
253.15875	2.1
257.11725	4.3
259.13242	0.7
261.14859	0.9
262.13297	0.7
267.17404	1.2
269.15173	0.8
271.13290	1.1
277.15860	1.4
281.19012	0.8
285.18533	1.7
289.14404	2.3
295.16861	3.4
299.20105	0.9
309.18597	3.0
313.17953	2.2
327.19556	4.6
345.20615	100.0
346.20828	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66776	0.6
53.03934	1.3
55.01868	1.6
55.05504	3.1
56.05054	0.7
56.96564	0.8
57.03440	1.1
57.04548	1.3
57.07067	1.3
57.76081	0.6
58.05331	1.0
59.04985	0.9
61.02932	0.7
65.03949	1.0
67.05504	3.7
69.03133	0.8
69.03435	7.4
69.06731	1.2
69.07072	12.5
70.06605	4.6
70.68383	0.7
70.68693	1.5
71.04990	1.7
72.08144	2.0
72.36919	0.7
74.06087	0.7
79.05502	4.2
81.03407	2.1
81.06599	1.1
81.07064	20.9
83.04984	4.3
83.08614	2.1
84.03262	1.6
84.04491	2.2
84.08178	3.8
85.02907	8.1
85.04021	1.6
85.06563	4.5
86.09711	12.1
87.04452	0.7
87.10049	2.4
88.04001	0.9
91.05481	5.5
93.07059	3.8
94.06572	3.7
95.04980	3.3
95.08611	6.9
97.02883	2.1
97.06540	2.7
98.06031	0.7
99.04452	3.5
99.08099	11.5
105.07047	4.0
107.04952	2.2
107.08595	4.6
109.02891	0.7
109.06543	5.2
109.10158	2.9
111.04501	0.9
111.08064	1.5
113.06020	1.8
116.05021	1.7
117.06973	0.8
119.08581	4.5
120.08092	0.9
121.06522	1.5
121.10159	11.8
122.02737	1.7
122.06044	6.2
123.04439	0.8
123.08090	5.4
123.11724	4.3
125.09642	8.0
126.04287	0.7
127.03922	2.6
127.04900	0.7
127.07568	2.0
129.07048	0.8
129.09229	1.0
129.10229	2.6
130.06555	1.4
131.08553	1.1
132.04475	0.8
132.10233	0.8
133.10162	1.3
135.04433	0.7
135.11714	0.6
135.14836	0.7
137.05968	2.4
137.08716	0.7
137.09599	4.5
137.13229	1.6
138.56596	0.7
139.11198	8.4
139.65164	0.7
140.07074	9.1
141.09088	1.0
144.04434	2.5
144.05397	1.5
145.05008	1.9
145.10141	1.9
146.06027	2.5
147.08070	1.2
147.11687	3.1
149.09657	1.0
151.03946	2.0
151.07610	0.8
153.09186	0.8
159.11746	1.0
161.05960	0.8
162.05487	1.4
163.11264	1.6
165.09128	2.7
165.12744	5.1
167.10614	0.8
171.11533	0.7
172.03952	14.0
173.43382	0.8
177.09135	0.8
181.04936	2.1
181.12260	0.9
183.13824	100.0
184.07451	1.0
187.14423	1.4
199.18048	1.0
200.18338	1.3
201.11186	1.5
203.24004	0.7
204.06572	24.4
206.08157	5.3
228.17986	1.1
259.07492	1.5
273.18463	1.8
285.11224	1.8
291.19513	2.5
309.20450	1.4
313.12323	0.8
327.06519	0.7
327.21701	0.9
337.33582	0.7
345.10214	0.8
345.15030	5.8
345.18756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01869	6.1
55.05517	67.4
57.03429	6.9
57.07071	6.5
59.05009	8.5
67.05525	24.8
69.03439	21.2
69.07066	12.4
69.42221	21.8
69.42632	7.1
71.05001	6.6
74.39250	4.7
79.05500	42.9
80.29960	3.6
81.03391	4.3
81.07069	36.3
83.04986	8.0
83.08632	44.6
85.02058	4.5
91.05482	19.2
93.07063	29.6
95.04993	11.3
95.08630	21.5
97.10184	79.7
101.05998	4.8
105.07038	47.7
107.08612	35.7
108.72998	3.8
109.06503	9.2
109.10151	11.5
111.04481	4.0
111.08066	5.1
113.01525	5.9
117.07017	12.7
119.08596	33.4
121.06538	6.8
121.10147	18.4
123.08096	15.3
123.11730	5.9
125.09641	61.6
131.08592	16.2
133.06516	13.3
133.10158	13.0
135.08017	9.5
137.05997	4.7
137.09650	14.4
141.04692	5.1
143.08586	12.8
143.10680	4.3
145.06474	6.3
145.10168	28.2
147.08105	14.9
149.05972	4.1
149.09692	8.6
153.09120	4.8
157.10155	9.7
159.08081	10.0
159.11752	9.4
161.09567	9.4
163.11310	5.7
165.09135	53.5
169.19981	3.7
171.11684	10.8
173.09665	7.4
183.11670	4.8
187.14960	4.6
189.09526	7.5
189.11226	70.3
189.12759	7.3
191.10507	4.5
203.14445	4.1
227.17967	8.9
237.16420	8.6
255.17470	13.3
257.11722	5.2
270.90714	4.0
273.18533	95.7
291.19638	27.1
309.16006	4.8
323.41385	4.4
327.17178	12.1
345.20657	100.0
345.31171	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	345.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
67.05491	1.3
67.42133	0.6
69.03431	0.8
69.07066	1.6
69.41518	1.2
69.41925	3.7
76.69066	0.6
79.05486	1.3
81.03398	0.7
81.07051	3.6
83.04976	1.6
83.08580	1.7
84.08152	1.8
85.02878	0.7
86.09729	0.9
86.31821	0.6
91.05447	2.2
93.07033	2.5
95.04977	1.3
95.08595	2.6
97.06536	0.7
100.11261	1.0
103.05456	1.8
105.03442	0.7
105.07037	1.6
107.04939	0.9
107.08559	1.2
109.10157	2.0
111.08072	0.8
111.82090	0.6
117.06989	1.0
119.08554	1.5
121.06492	1.2
121.10107	1.4
122.03709	0.8
123.04510	0.8
123.11721	1.1
131.04918	1.6
135.04422	0.7
135.08067	1.2
137.04990	1.1
137.05974	8.9
137.09622	0.8
142.03201	1.6
147.11649	0.7
151.07518	1.5
163.07555	4.2
165.09000	0.8
175.07507	1.0
175.09666	1.1
177.09126	9.9
182.08427	0.8
195.09221	2.8
196.09949	3.0
197.10757	3.1
198.11560	1.2
199.08653	3.4
207.82835	0.8
209.10754	10.3
210.11467	3.6
211.08620	0.9
213.10109	1.5
220.09937	0.9
221.10574	3.4
223.08655	1.3
223.12344	2.6
224.09459	15.0
224.13008	1.8
225.10263	3.8
225.13866	3.0
226.11043	3.9
227.08305	1.1
227.11629	1.0
235.12463	1.0
237.10233	32.8
238.10956	3.0
239.11850	1.8
241.09370	0.8
249.10286	4.1
251.08237	3.5
251.11818	10.9
252.12566	18.0
253.13371	37.0
254.14055	0.8
255.11295	1.4
265.09732	0.8
266.10556	1.9
269.12772	1.7
270.13885	0.7
281.12860	80.0
282.13260	1.3
283.14099	1.0
284.11795	0.9
298.12708	0.7
313.15457	100.0
314.15628	1.6
345.06741	1.2
345.10785	1.3
345.14084	0.5
345.17984	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	345.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.7
56.87648	1.2
67.05503	2.7
69.03427	2.5
69.07076	2.4
69.61798	5.8
70.06571	2.8
70.08406	1.3
71.04972	2.4
79.05503	3.8
81.03420	2.3
81.07049	3.5
83.04988	1.5
84.08150	2.2
85.02917	2.3
86.09734	3.2
91.05479	5.4
93.07055	4.9
94.04216	2.2
95.04980	3.2
95.08627	2.8
97.06499	1.9
97.10153	2.4
99.04484	1.3
103.05468	8.0
105.07050	3.4
107.04971	3.7
107.08607	3.2
109.06513	2.6
111.04422	2.0
115.05474	2.1
117.07017	6.2
119.04941	1.6
119.08621	2.5
121.06527	2.4
122.03676	2.2
123.04416	1.6
123.08047	3.9
123.11697	1.6
131.04935	15.8
131.08534	1.7
137.05988	50.7
143.08586	1.5
147.08055	1.9
147.11691	1.8
149.05986	3.1
149.09641	1.5
151.07558	10.7
159.11746	1.2
161.06017	1.9
162.06795	3.0
163.07562	39.2
165.09131	1.9
175.07524	4.3
177.09122	100.0
181.05037	1.6
191.07010	2.6
195.10262	7.6
203.10796	1.8
207.13823	1.3
215.08276	1.5
218.52229	1.4
221.11702	7.5
225.08998	1.2
225.94044	1.2
267.11325	1.6
285.08646	2.1
285.11447	2.4
299.13007	2.4
303.05035	3.0
313.10825	2.1
327.12204	1.8
345.05978	3.5
345.11453	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	345.1335
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
55.01858	1.9
55.05501	2.2
67.05491	2.1
69.03427	0.8
69.07063	2.1
70.06568	1.0
70.16309	2.5
71.04987	1.1
79.05473	1.9
81.03419	1.0
81.07072	3.8
83.04955	0.9
83.08612	1.0
84.08118	1.1
86.09685	0.9
91.05493	4.8
91.38689	0.8
93.07043	2.5
95.04960	2.0
95.08598	2.7
97.02857	0.7
97.06548	1.1
98.20874	0.8
99.08055	0.6
100.11263	0.8
105.07030	2.6
107.04951	0.9
107.08571	1.8
109.06523	2.2
109.10179	1.5
111.04433	1.8
115.05437	2.9
116.05953	0.6
117.07050	0.8
119.04981	1.1
119.08587	1.5
121.06492	2.5
121.10154	2.0
122.03648	1.9
123.04424	1.5
123.08058	1.1
124.28735	0.6
125.05966	2.2
131.04959	1.8
131.08514	1.1
133.06483	1.1
133.10127	2.7
135.04376	1.0
135.08003	1.0
137.05986	25.2
137.09618	1.2
141.06984	1.0
142.34869	0.8
143.04906	2.3
145.10124	1.1
146.03592	2.4
147.08073	1.2
147.11719	1.1
149.05981	5.4
151.03885	1.7
151.07527	2.0
152.06107	0.9
153.05460	3.7
153.06842	1.0
154.07755	1.2
159.11696	1.0
160.05238	1.4
161.05989	29.2
163.07567	1.7
165.05609	0.8
165.07011	12.9
165.09207	0.8
167.07239	0.6
167.08604	2.0
169.10136	0.8
175.07561	4.9
177.05525	0.7
177.06979	1.0
178.07739	1.2
179.07039	3.1
179.08575	3.8
181.06474	3.7
182.07249	6.2
183.08018	1.3
188.04665	6.8
189.07002	1.0
191.07051	2.6
193.04823	1.2
193.06500	15.0
194.07268	2.6
195.06421	0.9
195.08043	2.7
196.08784	0.9
197.06013	0.8
197.09659	2.9
199.07516	1.3
199.17981	0.6
203.07034	14.7
203.08795	1.3
205.08549	1.3
206.07263	1.3
207.08081	5.7
209.06027	1.5
210.06773	17.2
211.07416	3.6
221.05994	22.7
221.07982	1.7
222.06653	1.8
223.07686	1.7
224.08260	5.3
225.09091	28.6
227.06985	3.5
234.06699	2.5
235.07603	4.4
236.08353	0.7
237.05409	1.8
237.10371	0.8
238.06281	11.2
239.07095	3.0
239.10580	3.8
240.07851	0.8
242.09373	2.0
249.08986	3.6
251.06931	1.9
252.07838	5.5
253.08601	48.5
254.09271	1.3
255.06519	4.1
257.11703	1.0
266.09549	1.1
267.10193	18.4
269.08032	1.2
270.08786	6.9
272.10318	1.2
273.18417	0.8
277.08591	8.2
279.06454	1.4
280.07315	1.5
281.12720	1.7
285.11212	100.0
286.11572	1.5
294.08817	2.1
295.09677	9.7
299.12939	2.8
303.05130	1.3
309.11221	13.7
312.09973	1.8
313.10733	2.1
313.15454	2.4
315.04990	2.3
327.12262	80.6
328.12790	1.0
345.06137	1.1
345.09601	2.4
345.13412	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37340	3.5
52.80931	3.4
55.01865	7.3
55.05514	58.4
67.05509	35.4
68.09371	3.1
68.66019	3.4
69.03435	8.1
69.07063	14.4
69.97572	15.4
70.06599	3.4
71.08642	27.8
79.05484	17.5
81.07053	21.7
83.04996	7.5
83.08628	37.3
89.06025	4.1
91.05482	9.1
93.07049	25.3
95.04978	19.6
95.08608	11.9
97.10179	72.8
99.08090	24.8
105.07031	9.6
107.08600	35.0
109.06537	8.0
109.10158	9.9
111.08086	5.5
117.07023	5.7
119.08553	5.3
120.08911	4.0
121.10137	9.2
123.83655	3.3
125.08777	5.5
125.09640	81.0
133.08606	5.5
133.10146	6.7
135.08060	20.9
135.11632	6.7
145.10152	6.4
147.11699	9.4
149.13245	3.6
151.11208	13.4
153.09103	17.2
157.12296	4.6
159.11745	3.4
161.13277	5.8
163.11153	7.0
165.12703	7.8
171.10158	7.7
175.14891	4.5
179.14406	3.8
203.12799	100.0
225.18526	4.8
239.20108	4.1
241.19614	4.9
259.20544	8.4
277.21655	58.5
291.23117	18.2
309.24298	30.8
344.23264	11.2
344.31564	8.0
344.35248	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.131
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	2.9
71.51408	1.2
72.08166	1.2
78.54640	0.8
79.05486	0.9
83.06094	1.7
84.04520	0.8
84.08125	1.6
86.03560	1.5
86.09686	3.2
91.05457	1.9
95.06079	1.2
96.04442	0.8
98.88644	0.8
98.97544	1.3
105.03394	1.3
111.05562	3.9
119.04903	1.2
120.04468	2.8
120.42270	0.8
121.02828	0.9
123.04510	0.9
123.05496	1.2
126.06650	2.4
126.41100	0.8
132.04466	25.6
134.06003	3.2
137.04659	1.5
137.05984	3.8
138.38928	0.8
147.04379	2.8
150.05571	3.8
151.06174	9.6
171.02087	2.2
181.04956	2.5
194.06786	4.2
202.09799	2.1
205.68501	0.9
230.09070	1.0
231.07649	1.9
232.10773	1.8
242.09164	4.4
257.10416	4.4
259.11951	11.1
284.11383	5.0
302.09244	1.4
302.12485	18.1
306.29282	0.8
327.11975	2.3
333.08569	1.0
342.51877	0.9
345.13031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1337
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
55.01868	1.8
67.05500	1.1
69.03416	1.9
69.07070	1.9
70.06579	2.6
71.51930	1.3
72.08175	1.5
72.80010	0.8
79.05477	1.7
81.03428	1.5
81.07037	3.3
83.04969	1.8
84.08153	1.0
85.02924	1.5
85.99959	1.0
86.09701	3.4
91.05488	3.6
93.03407	1.2
93.07024	1.8
94.06573	1.5
94.86720	1.0
95.04988	1.7
95.08603	1.3
97.02881	1.3
97.06512	1.2
98.97586	0.9
103.05443	1.8
104.10757	1.4
105.06991	1.9
107.04937	1.6
107.08564	1.3
108.12729	1.1
109.06528	1.4
111.04466	2.2
111.19156	0.8
115.05443	3.6
116.04924	1.0
116.98537	1.2
119.08571	1.1
120.08083	1.4
121.06514	3.5
122.03634	2.6
122.06026	2.6
125.05956	1.9
129.07097	1.0
131.00043	1.2
135.04440	1.0
137.05994	26.3
140.07031	3.4
142.99969	1.5
143.04922	4.2
144.04498	1.9
146.03625	3.3
149.06018	4.8
151.03868	2.5
151.07524	1.4
153.05453	5.1
153.07063	1.2
154.07707	1.5
158.99603	1.1
160.05280	1.4
161.06006	32.6
163.07599	1.3
165.05727	1.7
165.07008	13.0
167.08540	1.8
172.03920	7.6
173.01100	1.4
175.07567	4.7
175.48439	1.2
178.07793	1.9
179.07022	3.3
179.08566	4.6
181.04959	2.0
181.06555	3.6
182.05766	0.8
182.07257	5.7
183.08070	1.6
184.07312	1.6
188.04729	8.1
189.09166	1.5
191.07056	2.2
193.06512	14.2
194.07242	2.5
195.08081	1.5
196.08743	2.1
197.06091	1.1
197.09604	2.9
199.07530	1.5
203.07040	14.2
204.06599	10.7
205.06671	1.1
205.08607	1.8
206.08173	1.6
207.08066	4.3
209.06056	2.1
210.06779	18.8
210.08681	1.9
211.07594	4.3
218.06894	0.9
221.06027	23.1
221.08089	2.3
222.06775	1.1
223.07573	2.2
224.08327	5.6
225.09128	33.5
227.07022	3.7
234.06743	2.0
235.07549	5.2
237.05463	1.3
238.06296	15.3
239.07019	2.6
239.10657	3.0
249.09108	4.0
251.07083	2.7
252.07874	6.1
253.08632	49.7
254.09222	2.9
255.06503	4.2
266.09375	2.0
267.10175	17.8
269.08096	2.1
270.08847	6.3
277.08606	8.6
279.06754	1.2
280.07208	2.2
285.11243	100.0
294.08905	2.5
295.09665	9.1
299.12802	2.5
309.11276	16.3
313.10992	1.7
324.08746	1.7
327.12296	87.3
328.12759	1.3
345.13489	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
55.05515	23.5
57.03430	2.1
57.16154	1.7
67.05508	18.2
69.03425	4.1
69.07060	12.0
71.04993	1.8
79.05497	16.2
81.03416	6.2
81.07055	43.6
83.04979	5.9
83.08614	16.3
91.05478	8.4
93.07052	10.8
95.04970	9.9
95.08627	13.6
97.06516	4.9
97.10175	31.2
99.08089	4.3
105.07010	9.3
107.04929	2.7
107.08585	14.3
109.06535	2.7
109.10154	8.1
109.96204	1.8
111.04453	6.7
111.08076	5.9
117.07010	4.6
119.08600	9.6
121.06499	2.7
121.10110	3.9
123.08070	17.1
125.09628	21.0
131.08553	5.7
133.10152	2.9
135.08032	3.1
135.11674	3.5
137.09604	5.4
144.76431	2.0
145.10083	5.2
147.08052	4.9
147.11678	4.6
149.09654	5.2
149.13197	1.8
153.09131	2.4
153.12784	3.4
157.10107	3.6
163.11226	17.9
165.09117	4.6
171.10237	4.4
181.12253	5.2
189.11247	19.0
191.10643	2.9
193.12123	4.1
211.13300	5.9
223.13304	2.3
227.12846	5.1
245.19046	2.2
263.19955	2.3
273.18460	15.1
291.19553	100.0
309.20609	68.8
327.21698	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	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03444	1.1
57.44712	0.3
61.02921	1.9
69.03435	3.4
70.06601	1.6
70.79585	0.9
72.08147	0.6
75.16077	0.3
76.46511	0.3
81.03422	1.3
84.08148	1.0
85.02912	16.2
86.09721	0.7
89.06052	0.6
91.03970	0.7
91.05486	3.9
94.14753	0.3
97.02901	4.0
99.04470	0.8
109.02913	1.4
110.09893	0.4
119.04945	15.6
119.05798	0.8
123.04437	1.6
127.03907	3.2
145.04984	4.4
146.95923	0.4
147.04419	100.0
163.05978	0.6
165.05486	58.4
180.08713	2.3
180.57393	0.4
182.08086	1.9
282.50537	0.4
309.09503	0.9
344.13480	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98218	0.5
53.19221	0.6
55.01869	0.6
57.03432	1.0
61.02911	1.5
69.03416	2.5
70.06590	1.1
71.04989	0.5
71.37251	1.0
72.08147	0.6
73.02913	0.8
73.78478	0.7
81.03419	1.6
85.02903	17.0
89.05988	0.7
91.03958	0.7
91.05494	3.9
95.04985	0.7
97.02885	2.8
109.02874	2.0
119.04935	14.1
123.04411	1.7
127.03879	2.1
133.08633	0.5
134.01959	0.7
135.13635	0.7
139.80075	0.6
140.20078	0.6
145.04959	3.7
145.83376	0.6
147.04405	100.0
162.40176	0.6
165.05472	55.3
180.08713	2.0
182.08101	1.2
221.72757	0.6
246.48026	0.7
293.47202	0.6
300.91592	0.6
309.09775	0.7
330.90085	0.7
344.13495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01868	4.0
55.05266	2.5
55.05516	22.7
57.03436	2.6
57.07071	8.7
59.04989	4.2
65.03941	2.2
67.05505	22.8
69.03439	7.9
69.07072	82.8
70.06586	4.5
70.29253	3.6
71.04993	7.0
71.08623	4.0
73.06548	3.0
79.05506	14.1
81.03419	2.1
81.07060	100.0
82.22483	1.5
83.04976	8.3
83.08624	18.8
85.02911	2.3
85.06551	22.8
86.09707	1.9
89.40229	1.6
91.05479	7.9
93.07050	31.1
95.04980	6.3
95.08613	56.8
97.06538	14.1
97.10182	4.9
98.97595	1.7
99.04463	1.9
99.08098	15.2
101.06011	4.2
105.07046	11.9
107.04998	1.8
107.08592	27.1
108.09122	1.5
109.06533	5.4
109.10171	32.5
111.08079	20.3
111.11717	19.6
113.09641	2.5
117.07068	2.6
119.08584	9.5
121.06469	2.8
121.10152	18.7
123.08109	4.8
123.11716	66.4
125.09640	2.4
127.11203	14.5
129.07045	2.3
131.08623	3.1
133.10123	7.7
135.08078	3.4
135.11710	18.1
137.06004	2.1
137.09657	4.1
137.13248	18.0
139.11224	10.8
140.04709	2.4
145.10146	5.0
147.11671	7.5
149.09650	3.6
149.13260	5.1
151.11180	2.7
153.12759	35.1
155.14262	3.9
158.97720	2.5
159.11752	5.9
161.13298	5.7
163.07498	3.0
163.11192	6.0
163.14850	2.8
165.12794	9.6
171.13844	7.1
173.13286	2.7
177.09109	1.5
179.14308	2.9
180.02353	1.5
181.04959	18.6
181.12177	1.5
183.13986	1.6
191.17937	1.8
201.16415	2.4
207.13942	1.7
209.19077	2.5
219.17418	2.0
237.18507	8.4
237.22234	2.3
277.25327	7.4
289.17957	1.9
289.25119	10.3
295.26370	12.3
297.11212	2.3
307.22635	2.3
307.26324	42.1
325.27328	11.5
343.15219	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.8
55.01870	2.7
55.05510	18.2
56.17225	2.5
57.03438	3.5
57.07085	13.1
59.04993	5.8
65.03925	3.2
67.05509	21.4
69.03417	6.6
69.07072	59.1
70.06573	3.8
70.30430	7.3
71.04980	5.9
73.06551	5.5
75.98418	2.2
79.05480	12.9
81.03414	2.6
81.07059	100.0
81.07537	5.7
83.04971	8.0
83.08609	16.0
83.63407	2.3
84.08156	3.0
85.04041	3.0
85.06553	22.2
91.05477	7.5
93.07044	33.5
95.04991	6.4
95.08612	53.6
97.06542	13.1
97.10162	7.9
99.08093	14.1
99.64875	2.4
101.05984	3.3
103.05452	3.4
105.07035	16.0
107.08591	25.3
109.06520	9.8
109.10160	34.1
111.08064	22.5
111.11723	14.2
119.08575	10.9
120.08109	2.4
121.10156	16.7
123.08112	4.8
123.11710	65.3
125.09649	3.4
125.13264	4.7
127.11187	13.2
131.08548	6.5
133.10101	6.8
135.11705	15.6
137.05922	2.4
137.09621	2.7
137.13263	13.9
139.11198	4.5
145.10155	3.8
147.11710	6.5
149.13304	6.4
151.07579	3.0
151.11166	4.0
153.12744	34.8
156.93875	3.1
159.11723	4.2
161.06023	11.8
162.05583	14.3
163.07549	4.2
163.11176	7.8
165.12733	11.9
166.05003	5.4
167.10710	2.6
170.15430	3.4
171.13826	6.9
175.07599	6.4
177.12811	2.4
180.38644	2.3
181.04985	19.8
181.12190	3.3
198.15044	3.5
209.19009	2.5
237.18513	9.1
265.08588	3.2
273.11972	2.5
277.25226	6.4
283.10547	3.3
289.25241	5.7
295.26346	10.3
297.11270	5.5
307.26324	41.2
311.12750	6.8
325.27493	11.8
343.15182	17.4
343.22272	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	343.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.5
55.01871	11.3
55.05513	34.4
57.03426	8.9
57.07059	7.7
59.04995	5.6
59.18751	2.0
59.19288	2.1
65.03926	4.6
67.05509	59.6
69.03421	11.6
69.07072	25.3
70.03862	10.4
71.04990	28.7
75.04471	2.5
77.12783	2.6
79.05496	49.7
81.03420	9.7
81.07058	57.3
83.04970	18.4
83.08614	13.6
85.02897	6.2
85.06542	8.7
91.05485	60.4
93.07046	100.0
95.04376	3.9
95.04970	63.7
95.08607	78.5
97.06540	26.9
97.10175	11.0
99.04492	2.6
99.08032	2.9
103.05458	3.5
105.04501	2.8
105.07036	89.6
107.04951	9.0
107.08598	65.0
109.02847	3.9
109.06530	25.2
109.10157	36.7
111.08091	8.7
115.05440	6.6
117.07024	32.2
119.08581	48.0
121.06515	22.1
121.10149	37.1
123.04444	4.9
123.08086	26.5
123.11691	7.0
125.09602	11.2
128.06224	6.9
129.07024	12.7
129.09055	4.3
130.07808	16.9
131.08585	24.2
133.06462	6.1
133.10138	34.9
135.08069	29.3
135.11667	18.1
137.05968	2.5
137.09648	13.5
139.07516	2.9
139.11163	9.2
141.06998	4.0
141.08951	2.5
142.07784	9.9
143.08571	16.2
144.09311	4.8
145.06487	3.5
145.10121	72.9
147.08038	15.8
147.11678	13.0
149.09621	12.7
149.13185	3.7
151.07544	30.1
151.11185	3.9
153.09085	3.6
155.08553	5.7
155.10693	12.9
156.09314	7.0
157.10136	21.6
158.10899	4.2
159.08011	7.2
159.11713	23.9
161.09653	10.1
161.13257	6.4
163.07484	3.1
163.11188	47.9
165.09059	13.7
167.08574	4.7
167.10712	4.0
169.10121	7.8
170.10883	3.4
171.11705	10.3
171.66019	2.4
173.09587	4.6
173.13255	7.5
175.11218	9.8
177.09088	6.5
179.07074	3.6
179.08658	4.9
179.10583	4.5
181.10164	4.5
181.12227	4.4
182.10933	4.2
183.11726	10.1
185.09700	5.2
185.13255	9.1
187.11195	19.3
187.14775	4.7
189.12732	7.8
191.14273	5.4
193.12173	2.9
195.11745	6.3
195.13663	3.3
197.13251	8.7
199.11223	3.0
199.14745	3.7
201.12695	4.9
203.12711	4.6
203.14381	8.4
205.12404	2.3
207.11769	3.5
207.13779	4.3
209.13266	5.9
209.15305	5.4
213.12767	2.5
213.16350	2.9
215.14351	4.1
217.12350	3.4
220.12637	3.2
221.11736	6.1
221.15376	25.3
223.14882	4.3
225.12910	4.6
225.16522	5.6
227.14375	2.9
227.16464	3.2
233.15405	8.2
239.12749	3.3
239.17969	3.0
241.15799	4.1
243.17297	2.5
257.18988	4.5
269.15384	5.4
275.20139	12.8
291.19537	3.3
299.19907	2.9
307.22946	3.6
325.21405	14.9
335.02844	2.7
343.19144	5.0
343.22684	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03946	5.8
55.01861	6.7
55.05516	14.9
57.03424	9.2
57.07084	10.5
59.04998	4.3
65.03918	3.0
67.05505	26.0
69.03430	9.7
69.07062	7.3
70.78143	4.8
70.78504	2.4
71.04998	17.1
74.50893	2.1
79.05497	20.6
81.03413	3.8
81.07058	29.8
83.04975	5.1
83.08624	3.5
85.06524	4.5
91.05494	30.6
93.06489	4.7
93.07053	63.2
95.04972	51.7
95.08615	70.5
97.06532	15.8
103.05465	2.3
104.12212	2.5
105.07038	67.9
107.04967	4.4
107.08608	50.7
108.83775	2.1
109.06509	17.2
109.10148	10.4
115.05473	6.8
117.07030	27.5
119.08591	30.3
121.06516	13.7
121.10161	21.7
123.08092	19.5
128.06223	4.8
128.87236	2.6
129.07022	5.4
130.07811	16.4
131.08594	12.0
133.06502	4.6
133.10184	14.1
134.07280	2.6
135.08060	24.0
135.11714	11.5
137.09644	5.1
143.08588	12.6
144.09309	3.7
145.06543	3.8
145.10141	68.3
147.08047	16.2
147.11729	4.3
149.09631	8.3
150.90625	2.4
151.07547	37.9
153.09108	4.4
155.08482	4.2
157.10170	7.9
158.15286	2.3
159.08026	5.1
159.11723	7.6
161.09613	7.4
161.13252	4.9
163.11212	55.3
165.09131	18.6
167.07024	2.6
169.10168	6.1
171.11656	6.7
173.09657	4.3
173.13260	3.9
175.11217	4.9
177.09142	6.4
179.07034	3.8
179.10654	3.2
181.10092	2.8
181.12314	2.6
182.10948	3.1
183.11719	3.6
185.13358	3.8
187.11214	6.8
187.14909	3.2
188.12074	2.2
189.09178	3.8
189.12755	13.2
191.14296	4.0
197.13258	5.0
203.14359	14.9
207.11832	2.5
207.13802	6.7
209.13339	2.9
209.15366	6.2
215.14391	2.3
221.15385	34.2
240.23228	7.8
241.15851	2.8
263.16507	8.3
269.15411	4.5
286.19348	3.2
286.77301	2.4
287.16495	3.7
287.19775	3.2
325.21692	11.4
343.22717	100.0
344.22757	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.59437	3.3
55.01872	16.3
55.05512	45.7
57.03440	14.3
57.07096	5.9
59.05000	5.7
65.03935	7.5
67.05506	65.1
69.03445	17.2
69.07085	28.3
69.25468	18.2
69.25886	10.4
71.04993	27.7
73.20126	3.2
79.05497	48.4
81.03429	17.0
81.07063	75.9
83.04981	14.8
83.08624	19.1
85.02908	4.3
85.06548	9.0
89.61768	3.0
91.05478	51.8
93.07051	92.1
95.04974	76.9
95.08614	78.7
96.05748	7.1
97.02914	5.1
97.06529	27.0
97.10166	22.7
98.21461	6.5
99.04472	3.7
99.08116	4.3
105.04499	4.9
105.07037	82.0
107.04957	12.6
107.08591	64.5
109.02895	10.5
109.06526	35.1
109.10168	53.0
111.04424	8.2
111.08044	6.6
113.05946	3.8
113.09656	3.2
115.05457	5.0
117.07024	31.4
119.08594	46.5
121.06500	23.1
121.10143	33.2
122.07248	4.3
123.04440	9.0
123.08066	26.2
123.11775	3.7
125.09622	15.3
128.06186	4.2
129.07002	10.5
130.07768	14.6
131.08588	19.1
133.06496	8.7
133.10155	30.2
135.08041	30.0
135.11688	17.9
137.05954	3.1
137.09618	29.1
138.10378	11.3
139.11185	5.3
140.08287	3.2
141.07022	4.4
142.07744	10.2
143.08585	18.7
144.09392	4.4
145.06535	4.5
145.10132	70.7
147.08067	11.9
147.11722	16.5
149.09637	9.4
149.13290	3.9
151.07541	29.7
151.11201	4.7
153.09102	4.4
155.08545	4.5
155.10631	28.8
156.09334	5.2
157.10123	25.0
158.89943	3.6
159.08105	8.9
159.11700	19.6
161.09637	13.4
161.13268	4.8
163.07535	6.7
163.11188	46.5
165.06915	3.5
165.09132	16.0
165.12700	3.9
167.08621	5.6
167.10658	6.7
169.10158	11.1
171.11699	10.6
173.09599	5.2
173.13263	5.4
173.60403	2.9
175.11230	11.9
176.71712	3.0
177.09140	4.2
177.12787	4.5
181.10077	5.1
181.12271	3.5
183.11725	9.4
185.09656	2.9
185.13326	7.3
187.11086	16.1
187.14720	5.2
189.11275	3.5
189.12737	8.6
191.14166	4.9
193.10396	3.1
193.12262	8.9
197.13318	7.9
199.14833	5.2
201.12813	4.6
203.14360	7.3
205.12247	3.7
207.11758	3.7
207.13797	4.4
209.13316	3.8
209.15414	5.9
213.12816	5.0
215.14267	4.4
221.11748	21.4
221.15312	23.9
223.14806	6.8
227.16324	3.5
233.15419	5.5
239.12791	9.8
241.16025	4.8
263.16357	7.0
273.18643	4.9
275.20074	6.4
286.19476	5.3
289.17859	4.4
291.19543	7.0
308.19888	4.4
325.21588	15.8
343.19339	4.1
343.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03961	4.5
55.01880	6.2
55.05523	22.6
56.72689	3.2
57.03436	10.2
57.07063	9.0
59.04981	3.6
60.37081	3.2
60.46743	2.9
67.05508	26.5
67.28371	3.5
69.03422	12.1
69.07082	10.3
69.23795	32.1
71.04999	12.8
79.05484	25.6
81.03411	8.3
81.07071	36.0
83.04977	9.7
83.08619	9.0
85.06557	4.7
91.05475	39.0
93.07050	70.2
95.04978	61.0
95.08614	70.5
97.06514	21.0
99.61087	3.1
103.05515	7.6
105.07037	83.0
105.07700	6.2
107.04939	4.6
107.08593	51.6
109.06548	15.9
109.10172	15.3
111.08112	4.8
115.05475	6.5
117.07012	30.9
119.08596	47.2
121.06511	20.2
121.10150	30.6
123.08069	25.8
123.11673	4.1
123.95340	3.3
125.09656	6.7
129.07031	9.1
130.07813	12.3
131.08583	22.2
133.06491	11.1
133.10164	23.9
135.08060	24.8
135.11703	13.9
141.07024	5.7
142.07800	14.4
143.08565	17.5
144.09355	4.3
145.10124	74.3
147.08072	14.0
147.11681	10.6
149.09607	5.4
151.07547	32.9
153.01845	3.5
155.08575	11.3
155.10728	3.9
157.10121	22.0
158.07326	4.4
159.08070	5.9
159.10542	4.2
159.11688	24.5
161.09651	11.0
161.13240	4.0
163.11186	48.6
165.09119	11.6
167.08595	5.8
167.10693	5.9
169.10114	11.5
171.11723	11.4
173.09665	6.4
173.13370	4.2
175.11180	11.1
177.09106	5.5
183.11748	10.4
185.13243	6.9
187.11215	21.0
187.14799	5.2
189.12732	6.2
191.14343	5.9
195.11691	7.3
197.13280	7.3
199.11160	5.3
199.14835	5.1
202.28691	3.2
203.14355	8.9
207.11778	4.3
207.13805	6.8
208.12477	4.1
209.13365	4.3
213.12726	4.2
213.16496	4.0
215.14394	4.7
221.15364	20.3
223.14804	5.2
225.12769	7.4
225.16447	4.4
227.14328	3.8
233.13275	5.2
233.15399	6.6
241.15829	7.2
263.16452	7.4
269.15402	6.0
281.08115	4.8
282.08862	11.7
285.07553	9.5
291.19586	6.9
297.07608	8.2
299.09116	14.4
309.07874	6.9
309.20364	5.7
311.05463	5.4
311.08905	4.0
313.07117	24.7
325.21677	18.1
327.08600	7.2
343.11816	85.0
343.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03951	0.8
55.05507	1.8
67.05508	18.9
67.29349	0.5
69.07071	7.9
69.07430	0.9
69.74467	1.7
69.74870	1.3
71.04991	5.2
79.05503	2.4
81.07059	6.5
83.04964	1.1
85.06537	3.6
85.90614	0.5
91.05473	3.4
93.07050	5.6
95.04970	17.0
95.08607	2.4
97.06533	0.5
105.07035	4.8
107.08602	3.6
109.06530	1.1
109.10159	100.0
110.10503	0.8
115.05466	1.9
117.07029	6.3
119.08625	2.7
121.06505	0.9
121.10171	2.0
123.08119	0.7
127.11189	11.5
129.07059	0.6
130.07806	0.5
131.08588	1.1
133.10107	0.6
135.08063	8.8
137.05983	1.0
137.09601	0.6
143.08569	1.9
145.10136	6.3
147.07973	1.2
149.09587	0.5
154.07808	0.7
155.08553	0.9
156.09364	0.7
157.10143	1.4
159.11708	1.5
161.09612	0.8
161.13319	0.8
163.07518	0.6
163.11188	2.4
169.10155	8.0
171.11694	2.1
173.09634	4.2
185.13245	0.7
187.11234	0.9
188.11974	1.5
191.70520	0.6
203.14261	1.1
221.15324	6.0
240.23227	1.5
245.15419	0.8
263.16309	1.1
273.18521	10.1
274.18781	0.7
325.21597	2.4
343.22723	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03958	0.5
55.01855	0.4
55.05508	1.2
61.39299	0.4
67.05508	19.5
69.03417	0.4
69.07069	8.0
70.69330	1.0
71.04999	5.3
72.07740	0.4
79.05499	3.2
81.07060	6.5
83.04981	0.6
83.08620	0.6
85.06541	3.0
91.05488	3.7
93.07049	4.8
95.04974	13.7
95.05579	0.8
95.08611	5.1
95.47060	0.5
97.06552	0.6
105.07027	5.3
107.08592	3.9
109.06510	1.9
109.10162	100.0
110.10534	0.5
111.04501	0.4
111.08111	0.7
115.05452	1.1
117.07026	4.2
119.08601	2.8
121.06531	0.8
121.10155	2.0
123.08027	0.7
127.11198	13.9
129.06985	0.9
130.07776	0.7
131.08583	1.4
132.40147	0.4
133.10138	1.4
135.08070	4.1
135.11679	0.7
137.06033	0.5
137.09615	2.8
141.07014	0.5
142.07755	1.0
143.08636	1.9
144.09335	0.6
144.53662	0.4
145.10127	5.2
147.08083	0.5
147.11700	0.6
149.09651	0.6
154.07858	0.4
155.08565	0.6
155.10692	0.6
156.09346	0.7
157.10161	1.8
159.08047	0.5
159.11711	1.9
161.09671	0.6
163.11215	1.8
164.67561	0.4
169.10143	2.3
171.11717	1.6
173.09645	2.3
173.13312	0.5
183.11673	0.7
185.13313	0.5
187.11211	1.7
189.12747	0.8
195.11708	1.0
195.13496	0.4
196.48065	0.4
199.11176	0.7
203.14369	0.9
209.13307	0.8
213.12726	0.5
221.13379	0.6
221.15359	3.0
223.14807	0.8
233.13167	0.6
240.23318	0.8
249.16249	0.4
251.14253	0.9
273.18457	2.6
283.20459	0.4
307.20514	0.8
325.21674	1.9
343.22983	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	2.7
55.01859	3.7
55.05512	13.6
55.07351	1.6
57.03427	7.6
57.07063	6.1
59.04697	1.6
59.04999	5.1
61.40263	1.8
67.05511	21.8
69.03423	8.9
69.07046	5.6
69.94163	7.7
71.05002	17.0
77.03947	2.1
79.05493	14.9
81.03419	3.4
81.07059	18.0
83.04992	2.6
85.06538	3.6
91.05482	23.7
93.07050	49.2
93.86806	1.8
95.04979	39.3
95.08611	57.9
97.06528	8.1
98.20864	2.3
105.07035	59.4
107.05003	2.5
107.08598	38.3
109.06525	9.6
109.10158	5.9
111.08108	2.5
115.05444	3.4
117.07024	22.3
119.08584	19.6
121.06498	13.5
121.10158	10.3
123.08067	19.0
128.06186	2.5
129.07014	5.1
130.07771	9.6
131.08568	6.8
131.52501	2.1
133.06483	3.3
133.10153	11.8
135.08061	18.6
135.11711	10.4
137.09624	6.1
143.08568	6.7
145.10129	55.6
147.08043	9.9
147.11711	4.5
149.09613	2.8
151.07556	32.5
155.08580	3.6
156.09358	2.0
157.10136	7.3
159.08058	4.1
159.11684	6.5
161.09663	7.6
161.13351	2.0
163.07520	2.9
163.11192	49.4
165.09113	12.5
169.10153	2.1
170.10925	1.7
171.11729	3.8
173.09680	3.7
175.11151	3.3
177.09122	4.9
179.07031	2.5
185.09564	2.2
185.13200	2.7
187.11200	3.9
187.14798	1.9
189.12758	8.0
191.10730	2.6
191.14307	3.0
197.13342	2.2
203.14363	8.2
207.13829	4.4
209.13336	3.2
209.15350	5.2
213.12785	2.0
215.14336	2.0
221.13309	3.3
221.15324	21.8
233.15443	3.0
263.16434	7.1
269.15518	2.2
286.19312	4.0
287.16547	2.4
287.20081	1.9
307.20514	3.2
313.37534	2.2
325.21487	8.7
343.22678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	4.8
55.01875	4.0
55.05520	12.8
57.03423	6.8
57.07069	4.5
59.04980	5.4
65.03931	2.8
67.05510	18.9
69.03418	8.2
69.07063	3.8
69.97456	8.7
71.04996	15.3
77.03912	2.5
79.05496	20.3
81.03426	2.6
81.07056	20.8
83.04977	2.2
83.49349	1.8
85.06538	2.9
88.17757	1.9
91.05483	23.2
93.07049	49.1
95.04974	40.1
95.08613	61.7
97.06526	12.2
98.20920	1.9
103.05441	1.9
105.07040	56.4
107.04906	2.6
107.08593	36.3
109.06530	9.1
109.10145	3.9
115.05463	6.4
117.07014	22.9
119.08590	17.2
121.06506	12.1
121.10145	13.0
123.08086	20.3
125.05933	1.9
128.06232	2.0
129.06999	4.8
130.07788	13.4
131.08585	7.3
133.06494	5.1
133.10146	12.1
135.08067	20.3
135.11670	10.6
137.05957	1.9
137.09653	3.4
143.08563	10.9
145.10129	60.0
147.08058	8.6
147.11729	4.8
149.09633	6.2
151.07550	28.5
155.08588	2.6
157.00922	1.6
157.10124	7.0
159.08049	2.9
159.11681	4.3
161.09602	8.8
161.13293	3.2
163.11183	47.7
165.09148	12.9
169.10104	2.1
171.08009	2.0
173.09576	3.6
173.13243	3.1
177.09128	2.8
179.07030	2.9
181.12244	2.6
183.11708	2.6
185.13348	2.2
187.11110	3.5
189.12738	10.3
195.11722	2.1
197.13246	3.5
201.12813	2.0
203.14355	6.4
207.13873	3.5
209.15329	3.0
221.15369	22.1
227.14453	2.0
233.15376	3.2
241.16039	3.4
243.13837	2.1
263.16428	8.5
286.19217	2.5
287.16516	3.5
307.20566	2.7
325.21771	9.5
343.22690	100.0
344.22800	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	343.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.2
55.01877	8.1
55.05519	35.7
57.03443	7.0
57.07071	7.5
61.86279	3.0
63.63124	3.1
63.95562	2.9
64.09251	2.9
65.03957	5.8
67.05183	4.6
67.05511	52.9
69.03433	11.1
69.07085	19.2
69.08354	3.1
69.37536	23.0
71.04991	15.1
79.05506	32.6
81.03431	9.6
81.07061	35.8
83.04980	7.6
83.08622	16.8
85.06537	5.6
90.19791	3.2
91.05482	48.0
93.07052	70.2
94.07831	11.4
95.04978	100.0
95.08611	84.3
97.06547	9.8
103.05479	3.6
105.04533	5.0
105.07040	87.9
107.04975	5.6
107.08605	61.7
109.06528	42.9
109.10169	32.9
111.04457	4.6
112.05210	7.1
115.05425	6.2
117.06346	3.3
117.07002	17.9
119.08569	28.4
121.06547	15.9
121.09392	4.7
121.10151	26.7
123.08070	30.3
123.11742	4.8
125.09591	4.3
128.06247	6.7
129.07028	8.5
130.07809	7.6
130.50024	3.2
131.08574	13.0
133.06506	6.2
133.10130	18.3
135.08058	19.1
135.11717	25.3
137.06026	3.4
137.09613	15.2
143.08601	13.2
145.10129	40.7
147.08183	3.5
147.11700	12.6
149.09592	5.5
151.07556	7.9
156.09346	3.0
157.10133	9.2
159.11700	8.7
161.09673	10.8
162.51134	3.0
163.11211	31.8
165.09195	4.4
165.12753	43.4
171.11700	3.6
173.09648	5.3
173.13322	3.7
175.11221	4.0
175.14832	4.0
180.33087	3.3
181.12253	13.1
191.14407	6.4
197.13368	3.8
199.11168	3.9
211.44820	3.2
240.23204	9.9
275.20154	4.7
283.35709	3.7
288.78503	3.5
343.22748	21.6
343.37595	10.6
359.24753	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03931	7.5
55.01858	6.2
55.05511	19.5
57.03420	7.4
57.07061	8.3
59.04985	4.4
65.03960	3.1
67.05507	32.2
69.03426	8.4
69.07065	14.0
71.04986	15.3
79.05490	34.5
81.03385	4.2
81.07059	37.7
83.04969	7.7
83.08602	10.2
85.06532	5.9
91.05482	34.5
91.06300	2.5
93.07047	67.5
95.04966	58.4
95.08605	72.1
97.06514	16.2
97.10181	2.6
99.04440	2.9
103.05449	2.5
105.07037	79.4
107.04939	5.1
107.08596	47.1
109.06524	16.2
109.09476	4.4
109.10164	44.4
111.08055	3.6
115.05453	6.9
117.07021	24.8
119.08584	33.6
121.06505	17.2
121.10143	23.9
123.08088	24.0
123.11643	3.6
124.05170	2.6
125.05997	3.0
125.09590	6.1
128.06232	3.9
129.06987	10.2
130.07820	12.6
131.08566	15.9
133.06468	11.0
133.10161	20.3
135.04420	3.6
135.08049	27.1
135.11690	12.0
137.05981	22.0
137.09578	8.0
139.07512	15.7
142.07790	6.6
143.08582	18.0
144.09366	4.4
145.10123	66.1
146.03619	2.7
147.08054	10.2
147.11697	11.5
149.05960	3.6
149.09636	7.1
151.03917	27.8
151.07549	40.5
151.11226	3.1
153.08992	4.2
155.08598	4.4
155.10664	3.7
156.09482	5.4
157.10139	18.4
159.08067	5.0
159.11700	17.8
161.05975	89.2
161.09616	9.6
161.13248	4.2
163.07446	4.1
163.11186	47.5
165.09103	11.1
167.07123	13.2
167.08286	2.5
167.10666	3.5
169.10158	10.0
170.10989	2.8
171.11714	15.8
173.09615	5.2
173.13226	4.4
175.11186	8.4
175.14819	2.4
177.05458	8.4
177.09190	5.6
179.07014	4.5
179.08499	3.1
181.10132	5.3
181.12218	5.3
182.10944	3.7
183.11754	5.1
185.09717	2.9
185.13319	5.6
187.11189	9.8
189.05443	7.2
189.09045	2.9
189.12782	6.1
191.07028	23.0
191.14320	6.6
192.07794	31.4
193.08505	3.9
195.11748	3.9
196.12419	2.7
197.13286	5.1
199.14749	2.6
203.14246	6.7
207.13742	4.6
209.13240	6.5
209.15254	4.1
211.11342	2.8
211.14819	4.1
215.14359	4.2
217.15883	2.6
221.15326	25.0
223.14902	4.8
227.14342	3.4
233.15390	10.7
241.15828	3.9
247.17096	4.3
251.14240	3.0
257.19080	3.2
263.16116	2.8
266.70444	2.9
269.15378	4.5
274.82071	2.9
275.20050	3.8
307.20432	3.3
313.06906	3.5
313.80841	2.9
315.12173	6.0
325.21597	13.3
343.11758	63.7
343.15692	2.7
343.19507	3.6
343.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67266	5.1
53.03965	5.8
55.01870	6.2
55.05515	27.9
57.07073	14.8
62.31030	5.5
65.20931	5.9
67.05508	51.7
69.03426	17.5
69.07069	24.2
76.41012	5.2
79.05504	36.3
81.03383	6.0
81.07069	43.8
83.04993	14.4
83.08623	10.7
85.06525	8.4
88.55717	5.0
91.05494	36.2
93.07047	75.9
95.04971	90.0
95.08609	35.0
97.06522	20.1
97.10188	9.5
98.21614	12.5
105.07040	79.2
107.04912	6.2
107.08600	44.6
109.06514	16.0
109.10152	20.1
111.08067	6.8
117.07017	18.6
119.08604	51.3
121.06497	19.7
121.10157	65.4
123.08054	15.6
125.09641	10.5
128.06198	10.2
129.07010	10.0
131.08560	28.7
133.06525	9.3
133.10143	46.3
135.08095	35.7
141.07007	12.7
142.07787	22.4
143.08554	34.2
145.10159	32.7
147.08063	13.7
147.11722	16.3
149.09607	23.4
155.08617	10.8
156.09343	14.1
157.10158	30.8
159.08099	32.4
159.11707	22.4
161.09665	22.3
167.08557	13.7
167.09207	5.9
167.10674	84.5
169.10149	17.9
171.11710	19.8
173.13255	16.8
175.11121	8.2
181.10106	19.2
182.10916	7.9
183.11682	12.6
185.02573	5.8
185.09634	13.9
187.11157	12.2
191.14340	7.0
192.09343	7.7
193.10208	9.7
195.11684	13.7
197.13284	19.9
207.11717	14.0
209.13255	7.6
219.17409	12.8
221.13365	16.1
223.14899	14.6
233.15466	6.6
239.17863	6.4
240.23236	100.0
267.17505	6.1
301.18231	5.5
311.10263	9.7
325.21576	18.9
343.11670	13.7
343.18976	12.6
343.22421	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	343.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
55.01865	17.7
55.05512	43.3
56.02453	4.3
57.03432	10.6
59.04992	5.2
67.05508	73.8
69.03447	11.7
69.07072	33.2
71.04988	14.5
76.95317	4.1
79.05501	44.8
79.89520	4.3
81.03424	10.9
81.07056	67.7
83.04979	17.5
83.08618	21.6
83.79953	5.2
85.02905	9.4
85.06541	8.0
91.05474	48.6
93.07053	88.7
95.04977	85.1
95.08606	60.3
96.05751	10.2
97.02880	6.4
97.06519	22.1
97.10154	19.1
105.07041	81.5
107.04946	17.2
107.08615	50.6
109.02875	12.8
109.06564	32.2
109.10159	42.4
111.04465	8.4
111.08105	7.2
113.05967	5.2
115.05455	8.8
117.07037	31.2
119.08582	46.7
121.06508	20.7
121.10165	22.9
123.04424	11.3
123.08052	25.6
123.11732	5.4
125.09637	17.1
127.11237	6.9
128.06232	4.5
129.06992	10.7
130.07794	7.4
131.08591	22.3
133.06464	10.8
133.10147	25.5
135.08057	31.2
135.11693	19.5
136.08969	6.2
137.05977	6.5
137.09628	23.9
138.10416	6.1
139.07578	5.9
142.07768	6.0
143.08583	17.6
145.10127	68.7
147.08066	10.0
147.11726	13.4
149.09598	10.2
151.07600	25.4
153.09116	5.4
155.08623	5.2
155.10686	36.5
157.10112	23.3
159.08066	9.9
159.11719	16.3
161.09610	9.0
163.11177	39.5
165.09148	14.2
167.08699	6.2
167.10709	5.0
171.11719	11.4
173.09604	6.7
173.13167	7.4
175.07634	5.0
175.11186	11.3
181.05022	4.6
183.11688	8.4
185.13306	5.1
187.11154	23.0
189.12787	5.7
191.10660	5.5
191.14363	5.6
197.13220	5.5
199.14769	5.2
201.12717	5.4
201.42661	5.2
203.14403	6.0
205.12372	4.6
215.14149	5.2
221.11761	25.2
221.15408	14.0
230.46367	5.2
233.15349	9.9
239.12894	10.2
251.14140	4.7
263.16391	7.3
273.18344	10.1
291.19403	11.7
308.20096	8.4
325.21692	15.0
343.18759	8.2
343.22687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75568	0.5
53.03938	1.5
55.01861	1.5
55.05508	1.6
57.03441	3.5
57.07061	1.1
59.05010	0.6
61.02927	3.2
62.25039	0.5
62.71639	0.5
65.03940	0.8
67.05496	1.9
69.03433	14.7
69.07082	2.1
69.41467	0.7
69.41872	2.8
70.06588	5.0
71.04998	3.3
72.08147	1.2
73.02907	1.9
77.03918	0.6
77.32957	0.4
79.05494	5.3
81.03423	4.9
81.07060	8.7
81.14518	0.4
83.01356	0.5
83.04987	6.4
84.04501	0.7
84.08133	1.6
85.02910	32.8
85.06549	0.8
86.09719	4.9
87.04468	2.0
91.03951	1.7
91.05478	5.1
93.06484	0.7
93.07048	9.9
95.04969	18.8
95.08587	1.5
97.02895	10.2
97.06528	4.4
98.21538	0.5
99.04428	2.7
101.02369	0.6
103.03931	1.3
103.05468	0.7
105.07027	8.3
107.04956	1.2
107.08595	12.2
109.02886	3.5
109.06546	2.5
109.10122	0.6
110.07172	0.8
111.04398	0.5
111.08060	0.6
112.08711	0.5
112.80191	0.4
113.80733	0.4
115.03928	0.7
115.05457	0.6
117.07043	3.1
119.04990	0.7
119.08586	5.2
120.08134	1.1
121.06503	3.8
121.10146	11.8
123.04419	0.7
123.08079	1.2
125.05997	11.7
127.03927	6.7
128.06226	0.4
129.07021	1.0
129.10219	0.7
130.07823	2.8
131.08568	0.8
133.06508	1.6
133.10124	1.7
135.04395	0.6
135.08044	1.4
135.11690	7.5
137.06000	2.8
137.09671	0.5
139.03864	1.1
143.08565	1.7
145.04961	7.5
145.10127	20.5
147.04402	1.1
147.08073	2.5
147.11624	0.7
148.08852	0.7
149.05930	0.8
149.09589	0.7
151.03911	2.6
151.04968	0.5
151.07503	0.6
159.11716	0.4
161.09642	1.8
163.03995	2.1
163.11185	100.0
164.11461	0.6
165.09114	1.1
165.12686	0.9
167.07056	1.0
173.04510	0.5
175.07596	0.5
175.11198	1.6
181.04948	7.1
181.12236	16.9
183.10175	1.5
187.11212	0.7
193.12251	0.8
201.05515	0.6
201.11246	0.6
205.12193	1.3
223.13351	1.9
229.10518	0.6
247.11597	0.5
265.08691	0.8
271.13287	0.6
289.14456	0.6
293.08133	1.0
293.81232	0.5
300.06201	1.1
307.09613	0.7
307.15436	1.3
325.10526	1.0
325.16580	0.8
343.13525	1.2
343.17386	2.2
353.07538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1179
Annotation	UWM6
Peak:m/z	Relative Intensity
53.03952	2.1
55.01868	5.4
55.05513	1.6
57.03473	1.3
65.03934	2.7
66.12222	1.2
67.05517	3.9
69.03425	3.9
69.07099	1.6
69.55988	6.8
70.06599	7.9
71.04977	2.9
72.08160	2.1
75.36668	1.6
79.05490	4.9
79.82184	1.4
81.03415	3.2
81.07042	4.2
84.08149	4.2
85.02911	4.8
85.91745	1.2
86.06037	1.7
86.09703	5.2
91.05494	10.5
93.03379	1.9
93.07079	3.8
94.04181	2.8
95.04979	3.5
95.08600	2.4
97.02867	1.6
103.05453	4.6
105.03377	2.3
105.07059	1.9
107.04963	2.5
109.02887	2.2
109.06546	2.3
111.04443	3.4
115.05472	10.0
117.07021	3.3
119.04942	6.0
119.08616	1.7
120.08128	1.6
121.06526	3.5
121.10124	1.8
122.03658	5.4
123.04471	1.6
125.05999	3.1
127.03922	1.4
131.04913	3.3
133.06493	1.5
134.03690	1.5
135.04417	4.3
135.11682	1.5
137.05992	56.4
140.04680	2.8
140.44193	1.3
141.03352	2.0
143.04906	4.0
144.05714	1.6
145.06519	6.3
145.10118	1.8
147.04430	6.8
148.04739	2.3
149.06018	7.6
150.06792	2.9
151.03931	5.6
153.05464	2.3
155.07109	1.7
158.03633	4.3
159.04408	4.1
160.05217	6.0
161.05971	3.2
162.05568	3.1
163.07518	1.8
163.11176	3.2
165.07007	4.1
166.07762	2.7
173.06007	13.2
175.04021	3.5
175.07515	13.3
176.06238	3.5
177.07008	12.6
178.07660	1.6
179.08658	2.7
181.04991	31.2
181.06529	3.4
186.03157	10.6
187.03966	3.9
189.05457	2.5
189.07037	2.3
191.07011	2.5
191.08585	2.1
193.06491	3.1
194.07315	14.9
195.08104	2.6
201.05458	33.2
201.07181	2.0
202.07756	2.0
203.06975	3.6
204.05746	5.1
205.06512	39.4
205.08398	2.5
206.07237	3.4
207.06323	1.9
207.08046	4.4
209.09552	2.3
211.07613	3.0
217.06592	1.9
218.07350	2.4
219.06479	4.1
219.08134	4.4
221.05986	11.7
221.09637	2.0
222.06795	29.8
223.07579	3.9
227.06973	3.3
232.05270	2.4
233.03807	2.6
233.05994	34.1
234.06741	8.3
235.07596	3.3
236.08475	1.9
237.09134	28.2
238.06187	1.5
239.07047	5.9
240.07761	1.5
247.07549	6.3
248.08412	1.7
249.05469	10.5
250.06284	29.7
251.07060	8.9
253.08478	2.0
254.09555	1.6
261.05603	6.5
262.06332	2.3
263.07056	3.3
264.07819	11.7
265.08615	60.7
266.09320	4.7
267.06506	10.0
268.07324	1.6
275.07080	3.3
277.04990	4.6
278.05725	11.9
279.06516	4.1
279.10190	6.0
281.08301	2.0
282.08847	6.4
283.09744	4.8
292.07327	22.1
293.08084	52.5
293.11334	2.9
294.08725	2.2
295.06003	4.7
297.11282	20.5
299.12830	3.7
305.42923	1.5
307.09656	58.7
309.07632	1.9
310.08408	8.1
311.09286	1.9
325.10742	100.0
343.04739	2.2
343.11865	22.5
343.15704	3.1
343.31027	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	343.1179
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01866	4.2
55.05515	1.7
65.03936	3.6
67.05501	3.1
69.03430	3.3
69.07043	1.3
70.06592	4.5
70.17790	4.1
70.18150	1.6
71.04991	2.6
72.08128	2.0
79.05495	3.1
81.03401	4.6
81.07053	2.7
84.08134	3.9
85.02897	3.7
86.09706	6.1
87.51842	1.2
91.05478	12.4
91.79749	1.4
93.03394	1.7
93.07054	2.6
94.04211	1.9
95.04977	3.8
95.08616	2.2
97.02888	2.3
97.06517	2.4
98.21391	2.1
101.78205	1.2
103.05502	3.8
105.07015	3.0
107.04956	4.0
108.84984	1.3
109.06464	2.0
109.19410	1.6
110.07185	2.6
111.04461	4.1
115.05454	11.1
117.06995	2.5
119.04944	8.1
121.02861	1.4
121.06541	4.0
122.03653	3.8
123.04436	2.4
123.08044	2.2
125.05988	4.1
127.03873	2.1
130.04149	1.4
131.04932	3.1
133.02888	1.7
135.04399	1.9
135.08032	1.6
136.07581	1.4
137.05989	52.9
140.04648	3.5
141.03348	1.8
143.04944	6.2
144.05672	3.0
145.06496	5.7
147.04434	7.4
148.04811	1.9
149.06023	7.6
150.06758	4.8
151.03918	5.9
153.05466	3.0
153.07086	1.5
158.03648	6.1
159.04405	6.1
160.05243	7.2
161.06000	4.9
162.05472	2.5
163.03960	1.7
163.07553	3.0
163.11172	2.9
165.07008	4.6
166.07744	2.9
171.04547	1.4
173.05989	12.5
175.03905	3.8
175.07536	9.4
176.04852	1.6
176.06281	4.7
177.07001	12.8
178.07813	2.2
179.08575	2.2
181.04964	24.9
181.06424	2.4
186.03131	13.2
187.03937	3.4
187.07486	1.9
189.05423	1.9
189.06967	2.9
191.06992	2.4
193.06461	2.6
194.07294	16.8
195.07932	3.0
200.04732	2.3
201.05460	36.1
203.06970	2.6
204.05762	3.2
205.06508	41.2
206.07307	3.9
207.08121	2.8
209.05966	1.5
211.07558	3.4
217.06558	2.2
219.04634	1.5
219.06488	3.7
219.08148	4.2
221.06059	10.4
221.09700	1.7
222.06749	25.3
223.07500	4.3
225.09047	1.4
227.07039	3.3
230.77328	1.4
232.05463	1.7
233.05998	33.8
234.06747	11.7
235.07407	2.1
236.08316	2.2
237.09137	30.1
239.07091	6.4
240.07831	2.3
247.07556	5.7
248.08176	2.0
249.05481	13.3
249.09230	2.0
250.06281	31.4
251.07056	7.7
254.05673	1.6
254.09503	1.7
261.05472	5.2
262.06403	1.7
263.06979	3.0
264.07819	12.3
265.08618	63.0
266.09360	5.2
267.06549	9.1
268.07257	2.6
275.06949	1.5
277.05032	7.1
278.05746	11.9
278.18399	1.4
279.06494	3.9
279.10138	7.4
281.08148	2.6
282.09030	7.0
283.09753	5.7
292.07281	22.6
292.10324	2.0
293.08102	59.1
294.08847	2.7
295.06015	3.4
296.76559	1.4
297.11255	22.6
299.12753	4.3
307.09662	75.8
310.08475	9.6
325.10742	100.0
326.11057	2.4
343.08737	1.4
343.11890	21.2
343.15622	2.5
355.09970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1176
Annotation	ISOTECTORIGENIN TRIMETHYL ETHER
Peak:m/z	Relative Intensity
50.04157	0.4
55.05527	0.6
56.21817	0.5
67.05488	1.2
69.07066	1.0
69.22667	0.4
69.22976	4.9
71.04997	0.8
79.05498	1.3
80.13908	0.5
81.07056	1.0
81.44238	0.5
83.08609	0.6
83.67053	0.5
86.34106	0.4
91.05482	1.6
93.07030	1.4
95.04960	1.1
95.08599	1.0
96.32557	0.5
96.33345	0.5
97.06518	0.7
105.07028	1.4
107.08577	1.6
108.87647	0.5
117.07039	0.5
121.06470	3.0
121.10136	1.1
125.18152	0.5
131.08618	0.6
133.10106	0.6
135.04381	0.6
135.08014	1.0
135.11728	0.5
139.73308	0.5
141.06917	0.5
145.10129	0.9
147.11691	0.5
151.03922	3.2
163.03925	0.7
176.04457	0.5
177.05479	1.1
178.06253	3.1
181.05003	1.1
204.04164	0.8
214.06279	5.1
225.05495	1.5
226.06262	0.7
228.73546	0.5
229.08612	1.0
237.05507	0.6
239.07048	1.1
239.58434	0.5
241.08589	1.3
242.05846	3.9
253.04962	11.0
254.05521	0.6
257.08081	3.4
267.06516	2.8
270.05228	2.2
279.06525	0.6
281.04395	1.3
281.07962	1.1
282.05127	0.7
285.07605	16.1
295.05988	2.4
297.07553	1.9
298.04742	5.3
299.09012	0.7
309.07617	0.5
310.08395	1.2
311.09082	1.6
313.07068	59.2
314.07263	0.6
327.08667	2.0
328.09412	16.9
343.11768	100.0
343.22830	1.9
344.12210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	Methylophiopogonanone A
Peak:m/z	Relative Intensity
51.60278	0.6
52.68535	0.5
53.03947	2.1
55.01874	1.3
55.05501	2.5
55.34463	0.7
57.07062	0.7
67.05509	4.5
68.70448	0.6
69.03423	1.4
69.07069	1.8
71.04998	1.7
79.05067	0.8
79.05495	7.9
81.07061	6.0
83.04978	1.4
83.08599	1.7
84.93785	0.6
85.06564	1.5
87.88913	0.7
91.05482	6.6
92.75117	0.7
93.07047	6.9
94.04185	1.0
95.04974	11.3
95.08611	8.9
97.06523	2.5
103.05461	1.7
105.07040	9.5
107.04961	1.9
107.08607	7.3
108.05738	2.5
109.02907	0.9
109.06530	5.2
109.10152	4.6
115.05527	0.7
117.07015	3.6
118.04156	2.4
119.04967	0.9
119.08607	5.1
121.06521	5.0
121.10160	2.9
122.03645	1.1
123.04430	1.1
123.08087	3.6
123.30930	0.7
124.05198	5.5
125.05966	1.0
125.09668	1.5
129.07022	1.2
130.07811	1.6
131.04869	0.6
131.08553	2.3
133.06503	5.7
133.10146	3.0
135.04486	3.3
135.08064	3.3
135.11707	1.8
136.05188	1.0
137.05983	25.4
137.09637	0.9
139.07553	17.5
142.07739	0.9
143.08549	1.4
145.10136	8.5
146.03650	3.3
147.04366	1.2
147.08067	1.7
147.11670	1.7
148.05164	1.2
149.06033	1.7
149.09653	1.3
150.06781	1.1
151.03914	30.5
151.07555	10.5
155.07091	1.2
157.10138	2.9
159.08139	1.0
159.11737	2.1
161.05992	100.0
161.13173	0.7
162.06705	2.7
163.07532	1.7
163.11165	5.4
165.05450	1.6
165.06779	1.1
165.09117	3.4
167.07069	17.4
169.10159	0.9
171.11694	1.0
173.09625	0.9
173.13277	1.3
175.11230	1.1
176.04750	1.3
177.05492	11.4
178.06218	1.0
179.07065	7.9
179.14362	0.7
181.04901	1.3
183.11725	1.0
185.13364	1.1
187.11212	0.9
189.05481	8.5
189.12753	1.5
190.36414	0.7
191.07047	21.1
192.07817	44.0
193.08630	4.8
197.13310	0.8
203.14288	1.7
213.12816	0.6
220.07326	1.1
221.15379	2.8
233.15401	1.7
239.07230	0.8
244.69185	0.8
275.20013	0.8
279.06595	0.7
294.08948	1.6
315.12274	8.5
325.10837	2.0
325.21600	2.3
328.09427	0.9
343.11804	62.0
343.18774	2.0
343.22647	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	343.1028
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
52.09987	0.3
53.03940	0.6
55.01868	0.9
55.05497	0.4
57.03419	0.4
61.02914	0.4
64.81731	0.4
65.03671	0.3
65.03947	4.1
67.05511	2.2
69.03436	11.6
69.07063	0.7
70.06592	0.9
71.03259	0.8
71.04990	0.6
72.08167	0.4
79.05501	0.9
81.03412	1.2
81.07054	0.8
82.04220	1.4
83.04970	0.7
84.08150	0.8
85.02918	3.4
85.06572	0.3
85.71997	0.3
86.09692	1.4
91.05482	1.8
93.03399	1.2
93.07057	0.7
95.04987	1.6
95.08595	0.5
97.02904	1.9
97.06559	1.5
99.04459	1.0
100.11291	0.3
105.07040	0.5
107.04945	0.9
107.08595	0.5
108.02103	0.6
109.02876	1.0
110.03677	1.8
111.04452	1.5
115.05448	0.9
117.07008	0.7
119.04941	0.6
119.08569	1.2
120.08122	0.8
121.06470	0.7
121.10143	0.7
122.03638	0.4
123.04443	0.7
125.05994	1.2
125.11283	0.3
125.21632	0.3
127.00301	0.4
127.03939	5.2
131.04947	0.4
131.08636	0.4
132.51323	0.3
133.02826	0.3
133.20912	0.3
135.08043	0.4
137.02400	0.3
137.05984	3.9
137.09726	0.3
138.03148	0.9
140.04672	2.2
142.02626	1.7
143.04950	0.6
145.06471	0.4
147.04443	0.3
149.05981	0.4
150.06746	0.3
151.03879	0.9
153.05473	1.2
155.07080	0.8
161.05904	0.6
163.03909	0.4
163.07527	0.5
163.11226	0.4
167.07091	0.5
167.08426	0.4
167.10716	0.3
171.06558	2.6
173.06042	0.7
175.07549	1.1
177.05467	1.0
177.06897	0.5
181.04968	100.0
182.05336	0.7
194.07318	0.8
199.05997	1.2
199.07634	0.3
201.05467	1.7
205.04886	0.3
205.06543	2.0
205.10150	0.3
207.06541	0.7
219.06415	0.4
221.06039	0.6
222.06897	1.4
223.05940	0.4
233.06039	1.7
234.06744	0.4
235.05930	0.6
236.08267	0.6
237.09285	1.7
239.07214	0.5
241.05194	0.3
249.05397	0.4
250.06265	1.7
251.07048	0.5
254.09271	0.3
261.07706	0.4
264.07828	0.6
265.09094	2.4
267.06494	0.5
267.09225	0.3
278.05737	0.8
279.10068	0.5
282.09076	0.3
283.09839	0.5
288.07040	0.3
292.07437	1.4
293.08112	3.0
293.11063	0.4
297.11307	1.1
299.12881	0.5
307.09769	3.7
310.08234	0.5
311.09454	0.3
311.12915	0.4
325.10846	5.3
325.14496	0.5
343.10474	1.0
343.16260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1026
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
51.02373	0.4
53.03736	0.3
53.03946	3.0
55.01858	1.1
55.05515	3.2
55.42356	0.3
56.05054	0.4
57.03448	1.6
57.89841	0.3
59.04993	0.5
65.03664	0.4
65.03948	4.5
67.05511	2.3
69.03430	2.3
69.07059	0.7
70.06596	4.0
70.50869	0.3
71.04617	0.3
71.05000	5.3
71.06909	0.9
71.51812	0.5
72.08151	0.6
74.06026	0.3
77.03927	0.3
79.05052	0.3
79.05496	0.9
81.03426	3.4
81.07041	0.7
82.04192	1.7
82.82719	0.3
83.04990	9.7
84.08137	1.0
85.02915	4.6
85.06554	0.3
86.09731	1.8
87.10075	0.4
91.05474	1.1
93.03398	1.8
93.07046	0.4
95.04974	5.5
95.08643	0.6
97.02887	0.8
97.06516	1.8
99.04462	19.5
105.03403	0.6
105.04514	0.6
105.07021	0.9
106.69701	0.3
107.08583	0.8
108.02092	1.1
109.02866	1.0
109.06521	0.5
110.03687	2.6
111.04434	1.1
111.05569	1.4
112.05907	0.8
117.05517	0.4
117.07041	0.3
119.04936	0.3
119.08531	0.4
120.08102	0.4
121.02888	0.3
121.03914	0.3
121.10126	0.7
123.00793	0.7
123.04436	4.0
123.90453	0.3
125.02372	1.3
125.05999	2.2
125.07007	0.4
126.07445	0.4
127.03947	4.0
133.02800	0.4
135.07999	0.4
137.05959	1.1
137.09598	0.4
138.03130	1.1
139.03960	0.7
139.05031	2.0
140.04683	23.3
142.02608	2.2
145.04944	0.8
145.10152	0.5
148.03819	0.3
149.05986	0.3
151.03923	1.8
153.05502	2.3
155.07042	9.5
155.08267	0.6
163.03949	0.3
163.07550	0.5
163.11212	0.4
167.03416	0.3
167.11826	0.9
168.12129	1.1
171.06567	2.3
173.08121	0.7
181.04968	100.0
182.05342	1.0
184.03644	0.5
184.15199	0.5
195.11317	3.3
196.11655	4.5
199.06042	9.7
207.06511	0.4
212.14725	0.5
229.15392	0.5
230.15706	0.7
265.08707	0.3
293.11426	0.3
297.09677	4.7
299.10089	0.4
325.09042	2.9
325.15604	2.5
343.10266	23.9
343.17099	1.0
343.24304	0.5
343.30582	0.3
344.10565	0.4
352.96964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05595	3.8
53.03941	5.5
55.01878	5.8
55.05518	22.2
57.07067	4.4
67.05511	75.8
69.03416	13.4
69.07073	35.9
70.12507	13.9
70.12852	4.6
71.04987	12.8
79.05496	66.9
80.82868	5.5
81.03409	6.4
81.07063	76.0
83.04984	9.4
83.08613	15.1
85.06535	5.3
87.04469	4.2
91.05491	57.6
93.06490	6.9
93.07050	100.0
95.04963	19.0
95.08619	48.9
97.06522	20.4
97.10159	7.1
98.21439	5.7
99.08073	5.1
103.07590	4.7
105.07053	56.5
107.04950	6.3
107.08595	44.2
109.10167	20.6
117.07021	15.8
119.08591	52.8
121.06527	6.9
121.10152	48.5
123.08076	9.0
123.11717	7.5
129.06990	5.1
131.08595	22.0
133.10139	47.6
135.08049	8.7
135.11696	26.5
137.09592	11.4
143.08543	9.0
145.10139	23.6
147.11684	16.2
149.09625	9.5
149.13272	11.6
151.11201	7.0
157.10112	4.9
159.11647	15.6
161.13339	4.4
163.11148	10.1
171.11694	8.0
173.11818	6.0
173.13280	11.9
177.12750	8.0
181.12239	13.2
193.12137	5.0
195.13774	14.3
199.14879	9.0
209.01514	5.0
213.14769	10.0
217.15939	5.5
235.16797	4.7
239.17903	4.9
249.18436	7.0
275.20117	53.4
289.21674	11.4
307.22665	5.8
342.21573	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
54.83213	1.4
55.01865	7.8
55.05513	51.9
56.84898	1.1
57.03457	2.7
59.04991	2.9
67.05513	22.4
69.03431	6.8
69.07069	42.7
70.84834	1.4
70.85174	2.8
71.04974	1.4
73.06532	1.3
79.05493	36.4
81.07059	24.0
83.04977	5.1
83.08617	34.1
85.06535	2.6
91.05477	16.5
92.54959	1.4
93.07047	21.2
95.04961	5.1
95.08611	13.0
97.06542	11.0
97.10168	71.7
105.07027	20.4
107.04943	3.3
107.08595	88.7
109.06504	4.6
109.10155	4.4
111.08071	4.1
113.09702	1.3
117.07013	7.4
119.08559	11.2
121.06512	2.5
121.10146	6.0
123.08083	2.2
124.11229	2.4
125.09628	79.6
126.62436	1.2
127.03571	1.4
129.07030	2.1
131.08582	6.6
133.10126	11.0
135.08054	16.5
135.11671	5.1
137.13300	2.0
141.06993	1.8
143.08502	1.4
145.10138	11.8
147.11687	6.3
149.09647	9.2
149.13243	1.6
153.09102	15.1
153.12740	1.3
157.10179	2.1
157.12239	5.3
159.11671	6.6
161.09628	2.2
161.13278	4.9
163.11153	6.0
165.09181	2.0
169.09970	1.4
171.10219	2.6
171.11610	2.5
173.11903	1.5
173.13290	5.4
177.12769	3.5
179.14282	1.7
181.12225	3.1
183.11769	1.8
185.11676	1.7
185.13213	2.3
187.11356	2.7
197.13284	1.8
203.12785	100.0
213.14731	1.7
215.17955	1.5
229.19507	3.2
239.17908	3.9
244.29831	1.5
257.18948	17.3
275.20065	54.2
289.21643	23.2
307.22681	22.3
307.74283	1.6
342.21286	3.1
343.22733	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05515	6.6
57.03422	0.6
57.06803	0.7
57.07076	11.3
59.04989	0.9
61.00136	0.6
61.02913	1.6
69.03439	3.1
69.43598	0.7
70.06593	12.7
71.02951	1.2
71.04987	0.7
72.08159	1.0
73.02907	0.6
79.05486	0.9
81.03399	2.0
83.08627	3.4
84.08153	1.3
85.02908	14.4
86.09715	2.7
87.04459	0.6
89.06034	31.2
91.03916	0.6
97.02897	4.2
98.97583	0.6
99.04458	1.1
101.09658	13.6
105.07040	0.7
107.07072	31.3
109.02863	1.2
110.07117	0.6
116.20236	0.5
117.26819	0.6
120.08097	0.9
122.09744	0.6
127.03916	2.2
137.05971	0.9
145.04959	2.1
145.12254	0.8
147.04417	1.3
163.03929	0.9
163.13303	100.0
180.06409	0.7
181.05008	1.3
183.14912	3.1
211.14465	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05506	0.5
57.03437	6.1
58.30331	0.3
59.04992	1.0
61.02922	1.7
62.69085	0.3
69.03429	3.2
69.61678	2.4
70.06579	0.4
71.04997	1.5
71.08282	0.6
71.08634	5.3
73.02921	0.6
79.05502	2.2
81.03410	1.1
81.07063	9.5
83.04987	0.9
84.74634	0.4
85.02910	11.6
85.06547	3.0
86.09687	0.4
87.04459	0.5
91.03940	0.8
97.02888	2.2
98.46955	0.4
99.04455	0.4
99.08099	19.4
101.06016	0.4
109.02882	1.1
109.06522	17.2
116.52013	0.4
117.09135	100.0
122.44621	0.3
127.03929	1.5
127.07558	42.4
145.04974	1.3
145.08591	1.6
163.09662	32.5
180.10214	0.4
195.11328	0.9
248.50876	0.4
349.61166	0.4
361.62256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37176	14.3
63.46989	13.7
67.05481	15.0
68.13522	16.2
70.06581	58.1
72.08155	40.3
84.08123	17.4
85.06538	100.0
88.97848	16.8
89.01581	14.0
99.08073	27.2
101.07171	16.7
105.07012	37.5
108.38146	15.5
110.07137	28.8
112.03890	15.0
117.09143	79.8
122.09660	21.4
127.07533	47.0
135.10133	68.1
145.08655	46.3
147.04407	17.7
163.08449	15.1
163.09608	75.6
179.03362	30.6
181.04990	52.1
253.11903	28.9
342.20764	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	342.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
57.03429	3.1
58.78667	1.0
59.04985	1.9
61.02919	2.8
69.03406	4.4
69.36863	0.9
69.76480	5.9
70.06592	6.8
71.04984	3.3
71.08633	9.0
72.08135	1.7
73.02898	2.0
73.06558	32.9
79.05490	2.3
81.03372	1.2
81.06611	1.0
81.07066	18.5
83.04980	1.5
84.04498	1.2
84.08136	2.8
85.02913	14.2
86.09700	4.5
86.14275	0.9
91.03965	2.8
95.04939	1.3
96.62575	1.0
97.02892	3.0
99.08074	4.2
100.11230	3.5
101.02380	2.3
101.06020	2.3
102.61189	1.0
103.03958	3.4
106.51543	0.9
107.47904	0.9
109.02895	1.0
109.06529	13.5
110.06045	0.9
110.07161	2.0
110.63863	0.8
117.09140	100.0
119.03413	2.2
127.03915	2.3
127.07569	44.7
145.04985	2.1
145.08583	3.7
147.02808	1.2
149.05978	1.0
151.03931	1.7
162.05527	2.8
163.03963	1.5
163.09665	44.8
179.03485	1.7
180.06508	1.8
181.04947	1.2
196.00914	0.9
207.04950	1.4
227.17502	2.0
249.08182	1.1
307.04196	1.2
342.15341	1.4
345.15997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.8
55.01846	0.5
55.05510	1.0
56.05038	2.2
57.03426	0.7
64.68438	0.4
65.03930	0.9
67.05482	0.6
68.05033	0.6
69.03428	0.7
69.07069	2.6
70.06595	32.1
71.04979	1.1
71.43529	0.6
72.08145	1.2
74.06065	0.8
80.05017	0.7
81.07077	0.7
82.02933	1.9
83.04969	1.5
83.06076	0.9
84.04494	1.5
84.08123	1.4
85.02895	1.7
86.09712	8.8
91.05485	0.8
93.07047	0.8
94.02939	1.1
95.04953	1.0
95.08614	0.7
96.04491	1.1
96.08150	1.0
97.07657	2.5
98.06073	0.7
99.04491	3.1
99.05579	5.9
102.05555	1.7
103.03951	0.6
105.07040	0.9
107.08574	0.5
108.04504	1.5
109.10163	0.5
111.05574	22.5
116.07105	0.7
119.08633	0.6
120.06544	0.6
120.08118	0.5
121.10103	0.5
122.09691	3.2
123.04453	0.6
123.08088	1.0
125.06123	0.7
125.07119	11.1
126.05518	5.1
127.04012	0.8
127.05028	3.4
130.05040	0.6
135.05544	0.6
137.05984	1.3
138.05446	0.9
139.05028	37.7
139.12285	2.4
140.04677	2.7
142.02551	0.5
145.04951	0.7
147.04419	1.8
150.09146	6.5
152.10706	2.1
153.05396	0.6
153.06558	4.3
155.07036	1.3
155.08179	0.9
158.99634	0.5
159.39200	0.5
163.11197	0.5
167.11804	18.0
168.10185	0.7
177.10228	0.8
179.03407	0.7
180.06454	0.5
181.04967	11.5
183.14938	4.8
187.07692	0.5
195.11296	100.0
196.09789	0.8
196.11621	1.0
199.05956	1.2
211.14418	3.9
223.07133	1.2
223.10779	8.1
229.13164	0.6
229.15457	10.6
278.14893	1.2
279.13351	1.6
282.09628	0.5
283.08160	0.5
296.16190	2.6
297.09854	0.6
306.17255	0.5
324.15570	28.6
325.09030	0.4
338.18616	0.4
342.16510	1.7
342.23825	5.2
343.10184	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	341.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32652	2.5
53.03935	3.8
55.01863	10.8
55.05515	76.8
57.03427	3.3
59.05001	3.7
67.05506	33.6
69.03434	13.4
69.07059	12.1
70.77803	6.1
70.78172	6.0
71.04977	7.3
79.05493	32.7
81.03412	8.5
81.07055	58.3
83.04976	13.1
83.08153	4.2
83.08618	46.6
85.06557	4.6
91.05455	15.1
93.07041	28.9
95.04967	16.5
95.08639	19.3
97.06538	5.1
97.10176	82.1
105.07052	14.6
107.08595	33.2
109.06552	6.6
109.10143	7.4
109.95658	2.7
111.04454	22.1
111.08064	7.1
113.09615	4.2
117.07007	9.0
119.08620	26.2
121.06492	11.9
121.10160	13.4
123.08067	80.0
125.08782	4.5
125.09633	65.7
129.06976	3.3
131.08585	10.6
133.06517	5.0
133.10158	7.7
135.08029	10.6
135.11719	4.3
137.05942	4.0
137.09613	28.3
139.11160	10.0
143.08510	5.2
145.10107	14.8
147.08061	10.5
147.11592	3.1
149.09607	4.0
153.09090	8.3
153.12755	4.8
157.10114	3.6
159.11644	6.8
161.09616	7.9
163.11165	6.2
165.09119	4.3
167.08588	3.7
169.10202	5.1
171.10173	13.0
171.11604	3.7
173.09592	4.8
177.09076	3.6
181.12291	5.8
189.05348	3.0
189.09703	2.7
189.11214	77.4
191.10677	7.6
203.10675	3.4
203.12819	4.6
209.11717	3.5
223.13309	4.3
227.12756	7.8
249.15025	3.6
252.57118	2.7
255.17416	4.8
273.18512	29.7
291.19559	100.0
309.20660	21.5
323.22223	6.3
341.21027	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	341.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01876	11.1
55.05517	64.7
57.03445	4.8
62.46021	2.1
67.05508	37.3
69.03428	11.0
69.07072	23.6
69.86259	8.0
69.86662	5.1
71.04980	4.2
71.57462	2.0
79.05495	37.9
81.03436	20.3
81.06599	4.2
81.07063	79.3
83.04993	13.2
83.08617	40.1
85.02902	3.5
91.05489	18.2
93.07050	32.0
95.04980	28.8
95.08609	22.4
97.06540	13.9
97.10183	66.3
99.08118	10.5
100.12090	2.5
100.12782	2.1
105.07049	21.0
107.04958	5.1
107.08593	37.3
109.06505	7.4
109.10155	12.0
111.04435	8.3
111.08073	11.3
113.09546	2.2
115.05502	2.0
117.07000	9.0
119.08569	19.3
121.06517	6.0
121.10153	10.9
123.08073	34.5
125.09638	69.7
129.07037	7.5
130.07753	2.8
131.08615	10.2
133.06506	3.8
133.10144	8.0
133.30661	2.1
135.08089	13.5
135.11688	7.9
137.09616	9.6
139.11160	2.6
143.08568	5.3
145.10123	21.1
147.08060	8.5
147.11734	4.0
149.09630	5.3
149.13281	5.1
153.09076	14.5
153.12730	7.1
155.10672	3.7
157.10114	7.8
159.11710	6.1
161.09587	3.7
163.11179	26.9
165.09105	11.3
169.10104	3.8
171.10237	3.9
171.11670	4.2
173.09598	5.5
175.11217	7.1
177.12842	3.1
181.12254	8.2
185.09782	2.8
189.11272	20.3
191.10657	6.7
192.13014	2.2
193.12267	13.0
196.96869	2.4
203.12784	37.3
223.13200	3.6
227.12813	7.8
255.17351	6.0
269.39160	2.2
273.18491	31.0
291.19562	100.0
305.21225	24.8
309.20636	10.0
323.22180	42.5
341.21130	16.7
352.02795	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	341.2111
Annotation	Microferin
Peak:m/z	Relative Intensity
53.03937	1.4
54.84480	0.7
55.01871	1.4
55.05494	2.5
57.07067	3.1
59.04994	2.7
67.05514	3.3
69.03408	1.8
69.07064	1.7
71.25293	1.4
79.05502	5.9
81.03402	1.4
81.07056	7.6
83.04961	1.3
85.02925	0.8
85.06525	2.3
89.57162	0.7
91.05484	9.1
93.06499	0.8
93.07049	11.5
95.04974	17.8
95.08607	2.3
97.06514	1.8
105.04553	0.8
105.07034	23.9
107.08601	3.9
109.06513	3.0
109.10142	1.4
111.08137	0.9
114.93458	0.7
115.05388	0.9
117.06992	2.6
119.04968	0.8
119.08581	7.5
121.06538	6.3
121.10133	2.3
123.04343	0.7
123.08065	4.8
128.06248	1.9
129.07019	1.6
131.08566	5.5
133.06522	4.9
133.10149	12.0
135.08070	2.9
135.11685	0.8
136.15820	0.6
137.05945	1.1
137.09602	1.2
141.06953	1.3
142.07759	1.2
143.08575	6.2
144.09370	0.8
145.10161	3.5
146.07352	1.0
147.08022	3.8
147.11691	1.4
149.05927	1.4
149.09605	2.9
150.56815	0.7
151.07555	5.9
153.06966	0.9
155.08548	2.8
156.09329	2.0
157.10135	4.8
159.08078	2.7
159.11716	3.5
161.09636	10.3
161.13283	1.5
163.11194	1.2
165.06967	1.6
165.09145	3.0
166.07658	0.9
167.07021	0.9
167.08560	1.9
168.09364	0.8
169.10115	2.5
170.10991	1.1
171.08095	1.7
171.11665	2.7
173.09631	2.0
173.13222	0.8
175.11226	1.3
177.09129	2.7
179.07115	1.4
179.08551	1.6
180.09381	0.9
181.10135	2.9
182.10945	1.0
183.11702	2.5
185.09566	1.9
186.10550	0.7
189.12709	2.2
192.09364	1.8
193.10164	1.4
194.10896	1.0
195.11725	2.7
197.09648	1.1
197.13274	2.2
199.11203	2.1
201.12723	1.1
203.14255	0.8
206.10953	1.4
207.11757	2.3
207.13762	0.8
209.13266	1.0
211.11191	1.7
211.14844	1.8
213.12767	2.6
215.14433	0.9
217.12180	1.8
221.13266	2.5
221.15378	2.5
223.11145	1.6
225.12801	1.5
227.14294	1.5
239.14340	3.0
241.12273	1.2
249.12814	0.8
257.15363	2.1
267.13800	2.0
277.46353	0.7
281.19147	0.9
285.14886	2.4
295.20694	1.8
313.21658	2.3
323.19955	2.3
341.21121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1389
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05493	2.5
56.35188	1.3
61.45503	1.5
62.31449	1.4
65.03950	1.4
67.05503	3.8
69.03418	1.7
69.07082	3.8
69.81026	8.1
70.06591	5.1
70.98404	1.3
71.05003	2.1
72.08141	1.6
73.99368	1.3
75.04494	1.9
78.56716	1.6
79.05506	5.7
81.03429	1.9
81.07062	5.6
83.04977	1.8
83.83592	1.7
84.08153	3.2
85.02912	4.0
85.06577	2.0
86.09708	4.4
91.05489	10.7
93.07062	3.7
94.04179	3.1
95.04967	5.0
95.08624	5.0
97.02876	1.9
97.06557	2.2
99.04455	3.0
105.07030	4.0
107.04969	3.1
107.08583	2.5
109.06515	3.5
109.10164	1.8
111.04462	3.0
111.08107	1.7
116.88689	1.6
119.05015	2.4
119.08600	4.9
120.08111	1.7
120.94887	1.7
121.06528	2.1
121.10166	2.3
122.03643	7.4
123.04447	1.8
123.08134	2.4
125.05997	2.8
125.09571	1.8
128.06300	1.9
129.06999	10.0
131.04936	2.7
131.08598	3.0
133.02818	1.8
133.10083	2.3
134.55322	1.6
134.72762	1.6
137.05995	100.0
137.09607	2.5
143.08517	2.2
144.05739	3.4
145.10234	1.7
147.04428	7.4
149.06010	2.1
151.03905	4.1
151.07550	9.3
157.06485	7.3
159.04434	2.1
160.05260	2.4
161.09610	2.4
162.02228	2.1
163.03923	2.9
163.07529	1.9
171.08055	1.9
172.05260	7.5
174.06804	12.1
175.07521	8.6
179.07082	3.7
179.08563	2.3
187.07571	42.4
189.09119	20.1
190.01814	1.9
191.07019	2.5
191.08624	4.2
199.07594	5.4
202.07808	4.3
203.08592	11.0
205.06593	2.5
206.07167	1.6
207.08131	2.2
208.08881	1.6
211.07587	4.3
217.08603	30.3
219.08086	10.3
220.08958	3.7
221.05981	2.3
227.07121	5.7
231.08122	10.9
232.08913	3.7
233.06015	2.4
234.06729	2.5
235.07510	3.7
236.08397	4.3
237.09026	4.5
239.07141	2.4
240.07918	3.1
247.07564	8.4
248.08322	15.7
249.09129	2.4
251.07016	1.8
251.10683	7.8
253.08647	4.7
255.06493	6.8
259.07608	4.7
260.08420	1.8
261.09106	2.8
262.09811	1.9
263.07510	2.6
263.10703	15.6
264.07721	2.3
265.08685	4.1
270.08905	14.3
271.09692	8.4
276.07889	6.6
277.08615	6.4
279.10175	14.8
280.10666	1.7
281.08221	3.0
283.09894	2.1
290.09219	1.9
291.10172	34.6
292.11017	2.7
293.08157	4.4
293.11423	2.1
295.09845	2.6
296.10425	10.1
297.11118	2.6
308.10547	4.4
309.11224	2.7
311.12747	20.0
323.12753	41.4
341.10312	1.9
341.13965	25.5
341.20053	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	341.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05510	3.8
57.07063	1.7
67.05481	2.3
69.03411	2.6
69.07066	2.6
70.06577	4.2
70.26124	3.6
71.04993	2.8
77.40130	1.0
79.05483	4.1
81.03436	1.4
81.07056	6.7
83.08607	1.9
84.08154	3.6
86.09700	2.7
91.05482	7.4
93.07042	3.6
94.04195	4.3
95.04974	3.0
95.08585	3.3
97.06522	1.7
100.11257	3.7
103.05454	2.6
105.07024	3.4
107.04939	2.4
107.08559	1.9
109.06510	4.3
109.10142	3.3
111.04465	1.4
111.08092	1.2
111.96587	1.0
115.05460	1.4
116.07049	1.1
119.04922	2.0
119.08574	2.6
120.08090	1.7
121.06458	1.8
121.10171	2.6
121.99505	1.2
122.03649	7.6
123.04442	1.4
123.08066	1.4
123.11697	2.1
125.05995	2.0
128.06200	3.7
129.06989	9.4
129.10251	1.5
131.04942	2.7
131.08536	1.8
133.02853	2.4
133.10089	2.1
134.09659	1.2
135.11772	1.3
137.05983	100.0
139.11183	1.6
143.08551	1.4
144.05708	5.1
145.06528	2.1
146.07225	1.4
147.11711	1.7
149.05954	2.2
151.03853	1.6
151.07587	6.6
156.05675	1.9
157.06483	6.6
158.07240	3.2
159.04454	1.7
160.05147	1.9
161.06004	3.3
161.09621	1.3
163.07481	2.7
165.05434	1.8
171.08043	2.4
172.05157	6.2
174.06787	16.0
175.07552	8.9
177.05515	3.5
177.09126	1.4
187.07545	52.7
188.08136	1.5
189.07365	2.0
189.09106	19.7
190.07858	1.7
191.07062	2.5
191.08586	4.2
199.07536	6.8
202.07808	4.1
203.08563	10.3
205.06570	2.3
205.08646	2.9
208.08820	2.5
211.07571	6.7
215.08638	1.3
217.06549	2.6
217.08606	32.9
218.07243	1.8
219.08072	15.0
220.08746	6.4
221.09602	1.5
222.06671	1.5
227.07047	3.8
231.08044	13.3
232.08789	3.4
233.05959	2.8
233.09641	2.6
235.07767	2.7
236.08388	2.8
236.92419	1.2
237.09070	3.5
239.06993	3.6
240.07784	3.8
241.08600	1.8
247.07478	10.2
248.08388	18.9
249.05391	2.1
249.09106	1.5
250.06268	1.7
251.10692	7.4
253.08655	4.1
255.06485	4.0
256.07333	2.3
259.07553	5.5
260.08380	3.4
261.09079	5.4
263.07535	2.3
263.10681	15.3
264.07831	4.2
265.08585	7.4
270.08893	8.2
271.09631	13.0
276.07797	7.8
277.08563	3.5
279.10178	15.2
280.10944	1.9
281.08115	3.3
283.09518	2.5
291.10150	31.9
292.10864	3.5
293.08121	3.8
295.09769	1.8
296.10464	11.3
297.11066	3.0
308.10434	5.2
309.11060	2.0
309.14609	1.7
311.12772	18.9
313.14261	1.7
323.09265	1.7
323.12756	40.8
323.18433	2.2
341.06644	1.8
341.13757	15.0
341.17807	1.5
341.19669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.05518	0.3
57.07053	0.4
60.04507	0.4
61.47427	0.3
62.08007	0.3
67.40303	0.3
69.03427	0.7
69.61978	1.7
70.06586	2.5
71.04964	0.4
71.15398	0.3
72.08155	0.6
73.04765	0.5
77.03934	0.3
81.03407	0.6
81.07047	0.5
84.04480	0.6
84.08150	2.6
85.02898	1.8
86.06047	0.4
86.09691	1.2
91.05465	0.4
95.05002	0.4
95.08612	0.4
97.02881	1.0
99.04465	0.4
105.03399	0.4
107.04951	0.5
109.02869	0.6
110.07173	0.4
117.03361	0.5
119.04966	0.7
120.08096	0.3
123.04433	10.3
127.03941	0.5
129.10309	0.7
133.01857	0.4
133.02864	7.7
135.04411	2.1
137.05986	1.1
147.04439	1.9
148.04793	0.3
149.04922	0.3
151.03925	4.0
163.03882	0.5
179.03403	100.0
180.03712	0.4
187.07506	0.4
189.17673	0.3
214.97662	0.5
277.15445	0.7
294.89804	1.0
295.89398	0.6
323.05658	0.4
341.08496	1.0
341.12195	1.4
359.03214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
52.23145	1.1
55.05504	1.4
60.04526	2.0
65.03938	5.5
67.05501	3.9
68.99792	3.0
69.03407	2.1
69.07073	2.9
69.76357	6.2
70.06602	6.7
70.11472	1.0
70.66875	1.1
79.05495	4.8
81.05760	1.2
81.07053	4.6
83.04965	1.9
83.08649	1.6
84.08160	5.9
85.02917	2.0
85.80730	1.1
86.09703	3.4
91.05476	6.3
93.07046	3.4
94.04195	2.5
95.04962	4.1
95.08610	3.1
96.08097	1.4
99.04454	2.3
101.06053	1.6
103.05471	2.0
104.04969	1.7
105.07021	3.8
107.04955	3.2
107.08589	2.7
109.02922	1.9
109.06503	4.3
109.10141	2.6
111.04462	2.3
119.04039	1.3
119.04913	2.2
119.08592	2.4
120.04470	4.1
120.08129	2.0
121.10141	1.4
122.03654	10.4
123.04377	1.4
123.08046	2.2
125.06004	2.8
128.06219	3.1
129.06992	10.3
131.04982	1.4
131.08606	2.4
133.02826	1.2
135.04356	1.8
136.07578	2.6
137.05991	100.0
143.08543	2.9
144.05727	4.6
145.06497	1.6
146.07242	1.9
147.04410	3.0
149.05939	2.4
149.09637	1.8
151.03850	2.6
151.07520	4.2
153.05504	2.8
154.08662	1.6
157.06491	7.3
158.07275	2.7
159.08032	1.9
161.05975	2.5
161.09634	2.2
162.05550	2.2
163.07451	1.3
163.11189	1.3
165.05431	1.8
167.07121	2.6
167.08473	1.2
171.08051	1.4
172.05223	8.6
174.06815	16.8
175.07590	7.8
177.05476	2.9
179.10666	1.2
187.07565	55.4
188.03450	28.2
188.08304	1.9
189.07327	2.7
189.09111	28.2
191.08545	4.5
199.07542	7.2
202.07823	2.2
203.08542	11.3
205.06520	2.1
206.04485	2.1
207.07983	1.7
208.08847	3.7
217.08597	33.3
218.07312	1.8
219.08096	14.6
220.08864	4.2
221.06027	1.9
222.06958	1.5
227.07079	4.2
231.08057	13.6
232.08807	2.3
233.05980	2.7
233.09590	4.2
235.07523	3.7
236.08357	5.1
237.09099	3.6
239.06876	1.3
240.07857	1.6
247.07571	12.5
248.08315	14.1
249.09146	3.0
251.10699	7.4
253.08517	4.1
255.06519	2.2
256.07379	1.5
259.07492	3.7
260.08313	2.7
261.09125	5.6
262.09784	1.5
263.07068	3.3
263.10693	14.0
264.07779	5.5
265.08514	5.8
265.78394	1.5
270.08887	6.1
271.09656	5.3
276.08051	6.0
277.08496	5.4
279.10190	19.4
280.10873	2.1
281.08102	5.4
283.09641	3.3
291.07123	2.3
291.10184	29.6
292.10870	4.1
293.08078	5.6
295.09979	1.5
296.10452	14.9
297.11273	2.6
308.10358	4.6
309.11084	2.1
311.12799	25.5
313.14670	1.4
323.09433	2.7
323.12842	37.2
341.13953	18.6
341.19537	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	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05511	2.6
57.07071	0.9
58.06635	0.5
67.05510	5.2
69.03426	0.6
69.07072	9.9
70.06598	0.6
70.95564	0.5
71.03241	1.1
71.04996	12.2
71.12558	0.5
79.05494	10.9
81.07062	3.8
82.06593	0.6
83.04982	4.0
83.08630	0.5
84.08160	0.6
85.06541	6.6
86.09709	100.0
91.05479	9.9
93.07047	10.5
95.04980	3.1
95.08623	1.1
97.06550	1.6
99.08105	2.6
100.07565	0.6
100.11264	4.6
103.05476	0.5
105.06329	0.6
105.07031	12.6
107.04940	3.2
107.08596	15.8
107.40749	0.5
109.02924	0.7
109.06519	3.1
111.04447	5.6
116.06270	1.0
117.07032	4.9
119.08601	8.5
121.06515	5.6
121.10152	9.2
123.04469	0.8
123.08070	2.0
125.05992	0.7
128.10712	4.4
129.07025	3.9
130.07790	1.5
131.08569	23.5
132.10211	30.9
135.04439	2.8
135.08115	1.0
135.11717	1.9
137.05994	0.8
137.09612	4.5
139.07596	0.6
141.11533	0.7
143.08540	1.0
145.06508	2.1
145.10129	12.9
147.08063	5.4
147.11679	2.5
149.06018	2.4
149.09622	41.3
156.10231	0.8
161.09660	0.7
163.07590	1.8
163.11186	15.4
165.09119	5.5
165.12787	1.5
167.10681	42.5
173.09598	5.3
177.70975	0.5
179.10637	1.3
180.16151	0.6
182.15408	1.4
191.10674	33.0
196.13333	0.8
206.15399	1.2
208.13397	0.8
209.11737	36.7
210.14890	6.9
227.17610	1.3
238.14445	2.4
244.26942	0.5
252.16049	1.8
256.15485	1.8
258.18533	3.7
276.19592	18.6
276.72836	2.3
294.20645	11.9
304.19046	4.7
310.20276	0.6
322.20126	20.3
331.25418	0.8
340.21201	13.1
340.25009	0.5
343.30750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.6
55.01873	35.9
55.05262	3.3
55.05515	36.4
55.68528	2.4
57.03441	29.1
57.07077	6.9
65.03937	4.9
67.05508	88.1
68.05830	4.2
69.03419	4.7
69.07075	30.9
69.25347	5.5
69.25752	16.2
70.07369	3.5
71.04994	6.5
73.06572	3.8
79.05495	73.2
80.05828	2.4
81.03415	13.1
81.07058	100.0
82.07401	3.4
83.04984	34.4
83.08633	12.2
85.02921	3.3
85.06543	8.8
88.07621	2.5
91.05486	66.8
93.07048	60.5
94.04206	2.0
94.07387	2.4
95.04973	88.0
95.08610	45.5
96.05746	3.1
96.08941	4.0
97.02903	8.2
97.06537	13.3
97.10159	10.5
98.07319	7.4
98.40380	2.0
99.04464	2.2
103.05455	5.5
105.04552	3.2
105.07034	58.1
107.04960	95.4
107.08598	36.6
108.05736	9.5
109.06522	55.3
109.10169	26.8
111.04443	9.9
111.08109	7.2
112.05239	13.2
113.06019	14.2
115.05451	4.6
117.07019	33.5
119.04978	5.5
119.08585	37.7
120.05709	6.0
121.06510	25.3
121.10130	15.6
122.07312	27.7
123.04431	13.0
123.08096	13.6
123.11745	4.1
125.06002	3.6
125.09640	6.6
128.06248	8.0
129.07014	17.2
131.04903	2.8
131.08572	40.7
133.06517	22.7
133.10159	21.8
135.08057	23.5
135.11678	14.0
137.05943	2.3
137.09624	37.6
139.30457	2.2
140.56229	2.2
141.06976	6.9
143.08537	14.5
145.06497	23.1
145.10135	25.3
147.08066	26.9
147.11711	9.8
147.59373	2.2
148.08829	3.0
149.02383	5.2
149.09656	9.7
149.13264	5.9
151.07555	8.0
151.11200	3.5
155.08554	4.3
157.10118	7.5
159.08064	5.6
159.11700	13.5
161.09631	19.5
161.13280	4.6
163.07559	2.8
163.11182	18.2
165.07002	2.3
165.09120	13.4
169.10153	8.8
171.11708	11.3
173.09689	4.7
173.13255	12.8
175.07614	2.2
175.11191	4.8
177.12776	6.9
185.13222	2.8
187.11191	7.5
187.14752	12.0
189.12773	5.3
193.04974	11.7
197.13254	8.4
203.12738	4.0
205.12247	2.4
205.15891	12.5
215.14352	16.0
217.15865	2.4
224.65733	4.5
233.15363	92.9
247.17058	3.2
256.26251	3.9
261.18536	3.7
262.19418	2.4
265.18002	55.6
273.18448	22.6
290.18826	13.9
304.20422	9.5
305.21106	17.5
322.21417	3.2
339.22873	3.5
339.27771	64.5
339.77747	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	339.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49624	0.1
52.12028	0.1
57.54670	0.1
65.03940	0.8
67.05511	0.2
69.19167	1.4
69.19454	0.1
80.77869	0.1
84.08118	0.2
91.05489	10.1
119.04952	25.7
120.05268	0.2
123.04485	0.2
147.04422	100.0
148.04762	0.7
165.05502	0.3
177.05501	0.4
185.04625	0.1
196.23059	0.1
321.06100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.1
69.03442	0.2
69.07066	0.7
69.28656	0.8
69.29076	0.3
70.06590	0.4
77.12483	0.1
81.07048	0.2
83.05028	0.2
84.08158	0.8
86.09712	4.2
87.10034	0.6
91.05489	11.2
95.08626	0.2
98.21526	0.3
107.08615	0.1
112.08736	0.2
119.04951	26.3
120.05216	0.2
123.04497	0.2
129.10262	1.0
137.05994	0.4
143.11826	0.6
144.12180	0.2
145.02872	0.2
147.04420	100.0
148.04778	0.7
165.05606	0.1
171.11401	0.2
175.14775	0.1
177.05518	0.4
183.61955	0.2
189.05508	0.2
210.92067	0.2
272.27435	0.1
305.01602	0.1
321.06003	0.3
339.12570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
53.20735	3.5
55.01867	14.4
55.05269	4.8
55.05516	61.5
57.03436	8.4
57.07071	5.3
59.05016	4.6
60.59245	4.4
67.05511	69.3
69.03427	10.4
69.07074	58.9
71.53180	6.3
78.31592	3.8
79.05502	63.8
81.03426	15.3
81.07069	100.0
83.04988	15.1
83.08638	35.3
85.06573	4.4
91.05490	39.2
93.07059	61.9
95.04986	25.8
95.08617	52.7
97.02884	4.1
97.06521	26.1
97.10169	55.5
99.08101	9.9
105.07029	28.0
107.04962	15.3
107.08612	57.7
109.06508	31.6
109.10169	26.0
111.04454	14.6
111.08086	8.0
113.06044	4.0
117.07034	16.3
119.08599	36.1
120.68661	4.0
121.06524	18.5
121.10146	29.8
123.04445	6.0
123.08064	13.5
123.11734	8.4
125.09644	50.9
129.06934	4.6
131.08578	16.8
133.06496	7.1
133.10143	22.9
135.08076	62.8
135.11729	18.3
137.06012	5.3
137.09647	62.6
139.07552	48.1
143.08577	9.1
145.06499	6.3
145.10130	11.5
147.08107	9.9
147.11728	15.1
149.09589	11.7
149.13255	11.3
151.11198	4.6
153.09132	21.4
153.12704	6.7
157.10168	8.5
159.08086	11.4
159.11716	9.1
161.09695	6.2
163.07562	48.0
163.11253	13.5
167.00882	4.3
167.10698	4.7
169.10124	4.7
173.09662	5.9
173.13290	11.3
175.11240	8.1
177.12770	4.3
181.08574	4.6
185.09644	4.6
187.11308	5.6
189.11258	15.2
191.10646	9.2
193.12270	77.5
203.11116	4.0
203.12689	20.1
225.14874	5.7
229.19536	12.4
238.69402	3.6
243.17488	10.1
247.20575	30.5
261.18661	18.7
261.39410	4.1
263.16418	6.1
271.16971	23.2
283.16959	30.3
289.18015	96.1
303.16583	4.8
303.19568	20.8
307.19046	36.7
321.20642	39.5
321.24091	7.1
325.43921	3.7
339.12665	5.1
339.22659	6.3
339.25446	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	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37457	0.2
65.03941	1.0
70.51979	0.3
70.52348	0.8
83.01312	0.6
91.05487	12.2
101.02415	0.3
111.00777	0.3
119.04948	26.9
120.05206	0.4
123.04491	0.2
147.04417	100.0
148.04756	0.6
165.05423	0.4
171.24274	0.2
202.28722	0.3
210.01320	0.3
326.65186	0.2
339.07220	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	338.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.8
60.71170	0.6
69.03432	0.8
69.07061	0.9
70.02954	3.0
70.06578	1.4
71.04976	0.7
71.09844	1.3
72.08167	0.9
72.60210	0.7
72.84595	0.7
74.06072	0.9
79.05494	1.0
81.07046	0.8
84.08127	0.7
85.02915	2.2
85.04037	12.7
88.03995	16.3
90.05598	0.7
91.05487	2.8
93.07018	1.2
95.08605	1.1
98.02404	2.7
98.97594	0.8
99.05575	2.9
103.05469	3.0
105.07050	0.9
107.04962	1.3
110.02395	4.3
115.07583	1.3
116.64748	0.7
119.04930	3.9
120.08112	100.0
122.09676	1.0
123.09169	0.7
127.05038	11.7
130.06572	1.8
131.04929	1.6
145.06099	8.3
147.04420	10.9
149.06010	1.1
158.06029	2.8
166.08649	40.2
173.05571	8.2
176.07089	10.6
177.10255	4.3
178.04982	1.2
195.11406	1.6
206.04515	2.2
215.08186	1.9
221.12967	2.1
223.10791	10.3
231.77641	0.8
257.09244	3.2
261.08759	1.6
274.11884	13.3
302.11255	0.8
303.09827	1.1
320.12665	2.5
338.12851	2.2
338.17160	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	339.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05527	0.2
56.05030	0.2
60.99915	0.2
65.03926	0.9
67.05500	0.2
69.66541	0.3
69.66948	0.7
70.06585	0.6
71.04974	0.3
72.08157	0.5
73.02929	0.3
80.40794	0.2
81.07049	0.5
83.01325	0.4
84.08176	0.3
85.02898	0.3
85.06535	0.4
86.09693	0.3
91.05481	10.3
93.06998	0.2
95.01331	0.5
95.04955	0.2
95.08588	0.3
98.21490	0.3
99.08104	0.3
101.02378	0.9
101.22813	0.2
103.47681	0.2
103.82116	0.2
110.07170	0.3
113.02364	0.3
117.03426	0.3
119.04942	25.1
120.05300	0.2
120.08133	0.3
123.11745	0.2
134.22775	0.2
141.12759	0.2
144.71959	0.2
145.02858	0.3
147.04408	100.0
148.04715	0.6
154.83618	0.2
159.13751	0.2
163.03915	0.3
165.05510	0.3
177.05486	0.7
177.14856	0.3
181.04918	1.3
203.03299	0.3
339.07227	1.8
361.43295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.95809	0.2
51.02378	0.1
53.00323	0.2
53.03946	1.0
55.01877	1.2
55.05516	24.8
57.03443	17.7
57.07079	3.9
59.04980	0.2
65.03947	1.9
67.05510	57.7
68.05849	0.3
69.03423	0.4
69.07073	33.5
71.04993	1.9
71.08636	1.7
73.06569	0.2
77.03926	0.2
79.05499	16.0
81.07062	53.5
82.07397	0.3
83.02829	0.1
83.04995	1.8
83.08624	15.9
85.06542	1.4
85.10170	0.8
91.05488	9.7
92.05797	0.2
93.07053	14.1
94.07408	0.2
95.04987	0.8
95.08612	40.2
96.08961	0.2
97.06539	3.2
97.10177	7.8
98.21510	0.4
99.08096	1.2
101.06046	0.3
105.04514	0.4
105.07040	6.9
107.07867	0.3
107.08601	7.2
109.06527	0.8
109.10162	15.4
111.08096	2.1
111.11723	1.6
113.09657	0.6
114.37769	0.1
117.07059	0.3
119.08590	5.9
121.10150	6.0
123.08084	0.7
123.11715	6.4
125.09623	1.2
125.13233	0.2
127.07591	0.2
127.11183	0.3
131.08592	0.4
133.10147	5.5
135.11697	3.4
137.09605	0.9
137.13261	2.7
139.11195	0.5
142.97731	0.1
145.10045	0.2
147.11703	3.3
149.13281	2.1
150.61870	0.2
151.11159	0.7
151.14853	1.2
153.12759	0.7
161.13264	3.0
163.14824	1.5
165.12766	0.5
165.16415	0.4
167.14331	0.3
174.39430	0.1
175.14838	2.1
177.16428	0.5
179.14302	0.5
179.17894	0.2
181.15862	0.4
189.16431	0.8
193.15887	0.6
197.66934	0.1
203.17990	0.3
207.17497	0.3
211.02283	0.2
219.81750	0.1
221.18974	0.2
245.22675	1.3
263.23737	3.0
337.27377	100.0
338.27771	1.5
345.14569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35574	2.4
52.63947	2.6
55.05514	9.6
57.03440	5.5
57.07074	28.7
59.05000	5.2
61.02931	3.4
63.82569	2.5
67.05504	9.7
68.40040	2.2
69.03439	5.3
69.07069	14.3
70.06602	3.8
71.04993	10.6
71.52018	4.6
72.08144	2.4
73.06554	8.2
79.05500	5.1
81.03413	3.5
81.07065	35.5
81.92097	2.4
83.04998	6.0
83.08633	3.1
85.02910	12.4
85.06553	100.0
86.09717	11.7
91.05486	5.7
93.07043	4.7
95.08629	20.0
95.60863	2.5
97.02892	6.0
97.10191	5.9
98.97616	4.5
99.04493	4.5
99.08092	18.3
100.85640	2.6
105.07065	4.9
107.05035	2.3
107.08588	3.3
109.06554	3.7
109.10211	4.4
111.04460	9.7
111.11740	3.2
119.08572	3.6
120.08110	3.0
121.10174	4.7
123.08098	5.3
124.07588	2.8
125.05965	3.0
127.03874	2.5
133.06459	3.4
133.10229	3.0
135.04448	3.1
136.07631	2.9
137.06013	3.3
137.13272	26.1
139.03932	7.2
149.09627	2.7
155.14316	63.4
163.03894	23.2
173.15392	17.4
175.11234	3.3
191.16438	56.7
253.03665	4.1
287.05508	12.3
288.50220	2.8
310.97131	2.5
317.06238	3.7
337.01294	4.4
337.05338	4.3
337.10986	2.8
337.16324	3.3
343.01401	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	337.1107
Annotation	Firocoxib
Peak:m/z	Relative Intensity
55.82093	0.9
62.98254	1.9
70.24766	2.1
70.25156	2.0
94.93015	3.7
127.02436	1.3
145.03496	2.3
155.01866	1.2
156.88573	1.6
157.03416	2.0
167.15398	0.9
173.02982	2.2
174.89676	1.7
184.10928	1.0
188.89630	1.0
204.87108	2.1
208.86574	1.1
217.01923	4.0
229.02039	1.8
232.92233	1.9
247.02933	1.7
336.95007	7.1
337.11588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2008
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
53.03932	0.8
55.01861	0.9
55.05508	2.0
57.07059	1.8
59.04995	2.3
67.05479	1.5
69.03144	0.7
69.03438	7.9
69.07061	1.3
71.52261	0.6
71.52731	1.0
73.16703	0.8
76.91728	0.6
79.05487	1.7
81.07065	5.4
83.01347	1.6
83.04939	1.1
83.08610	0.8
85.02899	0.9
85.06548	1.9
91.05485	2.0
93.07040	2.7
95.04957	2.3
95.08630	3.9
97.02895	37.8
99.08093	1.0
99.55917	0.7
105.07050	3.6
107.04939	1.0
107.08598	3.2
109.06506	3.1
109.10146	2.6
119.08588	4.3
121.06506	2.7
121.10140	2.8
123.08071	9.6
125.06004	1.4
125.09650	1.0
129.05527	5.6
131.08606	1.3
133.06517	1.5
133.10101	4.3
135.08051	1.8
135.11688	0.8
137.05937	1.4
137.09608	1.0
139.07553	0.9
143.08577	1.0
145.10088	1.0
147.08060	3.2
147.11638	1.6
149.05960	1.9
149.09625	1.7
151.07553	35.5
160.08784	1.6
161.09595	4.9
161.13260	2.2
163.07532	1.0
171.11682	1.1
171.13998	0.8
173.09616	1.3
173.13298	0.9
174.10439	0.7
175.07605	1.3
175.11180	10.5
177.09120	1.0
179.07037	5.8
185.09604	0.9
187.11209	1.2
189.12753	9.1
190.13568	1.7
191.10854	0.8
191.14307	1.5
193.12291	1.0
199.14906	0.9
202.09975	1.3
203.10765	1.2
207.13818	16.3
217.12227	5.6
221.15372	0.9
231.10207	1.1
233.15442	0.8
235.13295	58.8
245.11810	1.0
249.11292	1.6
277.18167	1.1
281.13953	1.2
287.16522	1.1
305.17505	4.8
319.19067	2.5
337.20102	100.0
338.20267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.67035	1.3
55.93531	53.3
56.94318	5.3
64.82911	0.9
66.32005	1.1
69.95087	2.5
71.50364	1.6
71.93012	38.4
72.08150	3.1
72.93791	64.1
73.94573	7.8
74.95345	2.9
85.02917	1.4
87.96101	2.8
89.94050	31.8
90.94830	52.8
90.95401	2.6
99.96087	1.5
100.94322	1.1
102.94783	4.1
105.93524	13.8
107.95094	19.9
108.95860	7.0
110.91393	1.0
111.96082	6.3
113.94003	2.5
113.96389	1.9
115.95583	1.8
116.96345	2.5
117.93497	2.0
118.08649	3.2
118.94289	3.8
120.95821	1.3
123.94550	6.1
125.96125	16.9
129.97141	14.1
131.95052	11.0
132.95848	8.5
133.96623	3.5
135.94559	2.1
136.95319	3.2
139.19069	1.0
142.94264	3.9
143.95074	1.8
144.95807	4.6
145.96638	6.7
147.04378	1.4
147.98174	9.8
149.96107	20.0
150.96883	7.3
151.97687	7.4
155.95045	3.1
157.96635	4.2
158.97496	1.1
159.94489	1.2
160.95332	4.7
161.96117	20.4
162.96866	2.2
163.97696	3.5
164.94913	1.2
165.99257	20.0
167.97153	5.1
173.96132	15.0
174.96960	1.2
175.93950	1.3
175.97656	4.6
176.98506	1.2
177.95633	13.1
178.96468	1.7
179.97154	3.9
183.94531	2.4
183.98264	1.2
186.96805	1.4
187.94025	4.2
187.97591	1.9
189.95546	2.7
191.97171	100.0
192.97842	1.1
199.97661	3.5
201.95642	4.9
201.99127	1.7
203.93575	6.9
203.97200	3.1
205.95134	7.1
205.98689	1.7
209.98201	2.1
210.51547	1.2
213.91891	4.9
214.98741	3.9
215.97112	1.0
217.95097	26.1
217.98647	2.7
219.93005	1.6
219.96677	17.7
221.94583	2.4
223.89966	1.7
227.93544	1.4
227.97134	4.6
230.95883	2.3
231.93016	1.7
235.96136	6.3
237.93973	1.4
243.96725	1.4
245.92229	1.5
245.94583	25.0
245.98132	2.2
246.95168	1.5
259.96274	1.2
263.95651	56.2
271.96060	2.4
281.96664	8.5
289.97229	1.6
291.98822	2.4
294.52148	1.3
335.19653	1.1
335.97693	1.8
336.07849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	3.9
55.01865	0.9
55.05516	21.6
57.03443	20.7
57.07063	2.3
65.03934	3.6
67.05508	82.7
69.03432	1.2
69.07071	20.1
69.94486	3.9
71.05002	1.9
79.05497	41.0
81.07057	69.5
83.04974	2.1
83.08623	6.6
85.06533	1.5
91.05481	18.8
93.07047	45.7
95.04984	3.6
95.08610	55.1
97.06523	3.2
97.10155	1.8
98.47340	0.7
105.04552	0.9
105.07042	11.1
107.08595	19.5
109.06509	1.2
109.10161	19.9
117.07000	4.0
119.08595	11.6
121.10145	17.3
123.08035	1.3
123.11699	7.4
131.08582	5.6
133.10115	7.5
135.11679	8.7
137.09692	1.1
137.13277	1.9
145.10115	3.8
147.11674	4.0
149.09659	1.4
149.13269	4.4
151.11154	0.7
159.11700	3.4
161.13304	3.7
163.14803	1.6
171.11705	0.8
173.13269	3.1
175.14897	1.0
177.16624	0.9
187.14893	2.0
243.21124	0.9
261.22153	3.8
335.25818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.7
57.03432	2.5
57.07078	32.1
65.45529	0.5
67.05181	0.8
67.05508	11.2
69.07076	4.0
70.96162	0.8
70.96501	1.2
71.08632	28.7
73.06548	3.4
79.05492	6.5
81.07062	11.3
83.08628	4.4
85.06557	0.7
85.10181	23.4
87.04472	1.6
87.84705	0.5
89.06032	100.0
91.05472	3.7
93.07045	7.6
95.04995	1.1
95.08610	8.5
97.10181	1.2
98.50324	0.6
99.11720	1.5
105.07045	3.2
107.04994	0.7
107.07069	5.7
107.08600	4.0
109.06519	0.7
109.10152	4.4
110.94836	0.6
112.34356	0.6
117.09117	0.8
119.08616	2.3
121.10120	4.4
123.11677	1.2
130.08652	3.0
131.08548	0.7
133.08604	31.2
133.10126	1.1
135.08084	1.2
135.11679	1.7
141.16364	2.4
145.10123	1.7
147.11728	1.6
149.13257	1.4
151.09590	3.5
159.10298	0.6
159.11671	1.4
161.13264	1.4
173.13327	1.0
177.11238	7.1
185.19081	1.8
195.12280	23.5
229.19615	0.6
229.21744	2.3
258.19470	0.8
261.22067	0.8
291.25351	0.7
296.37201	0.7
320.25858	0.6
335.25858	11.4
335.28305	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.56015	1.0
53.03934	3.8
55.01871	1.4
55.05511	20.3
57.03164	1.2
57.03442	18.0
57.07055	1.7
57.17229	0.8
64.12566	0.9
65.03934	1.4
65.44423	0.9
67.05507	67.9
67.49123	0.8
69.07073	17.0
71.04985	1.5
79.05495	34.2
80.14003	0.9
81.07062	59.7
83.04978	2.5
83.08627	6.1
85.06548	2.0
87.38920	0.8
91.04916	1.0
91.05485	18.6
93.07049	39.3
95.04945	3.2
95.08612	47.5
97.06509	2.4
97.10158	2.3
105.07031	9.8
107.08606	17.7
109.06523	2.1
109.10157	19.2
111.08068	1.1
117.07005	3.4
119.08596	8.1
119.70439	1.0
121.10146	13.4
123.11721	7.8
124.18496	0.9
127.10701	0.8
131.08585	5.7
133.10156	6.7
135.11687	9.0
137.09589	1.0
137.13278	1.4
145.10085	3.9
147.11674	3.9
149.13306	4.2
157.10132	1.1
159.11716	3.6
161.13277	2.3
163.14821	1.7
173.13254	2.8
175.14928	1.4
177.16422	1.2
179.14273	1.0
187.14729	1.1
243.21109	1.9
261.22116	3.2
273.22488	1.0
277.47827	1.0
335.25827	100.0
336.26331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	4.3
55.01869	1.1
55.05270	1.3
55.05513	17.8
57.03439	18.6
57.07071	2.7
65.03935	3.5
67.05508	71.5
69.07066	17.3
69.33296	7.3
71.04977	1.7
77.03957	0.9
79.05495	34.6
81.07060	62.8
83.04977	1.8
83.08619	7.3
84.44218	0.8
85.06559	0.9
88.03870	0.8
91.05485	15.2
93.07047	37.7
95.04966	2.5
95.08611	49.9
95.45155	0.8
97.06535	2.8
97.10173	2.3
99.08080	1.2
105.04523	1.4
105.07034	9.5
107.08595	16.2
109.06506	2.3
109.10157	19.5
111.08154	0.9
117.07024	3.8
119.06078	1.1
119.08611	8.5
121.10148	15.2
123.08094	1.2
123.11728	6.4
131.08549	5.4
133.10120	6.3
135.07957	1.0
135.11699	9.7
137.09624	1.3
145.10156	2.8
147.10612	1.0
147.11713	4.3
149.13268	4.5
159.11693	3.0
160.04280	0.9
161.13234	3.1
163.14796	1.3
173.13324	2.5
175.14879	1.1
187.14880	2.0
205.16200	1.0
261.22177	3.3
317.80862	1.0
335.25848	100.0
336.26181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75864	0.7
54.55553	0.8
55.05509	1.0
57.02579	0.7
57.03428	0.8
57.56898	0.7
67.05504	1.5
69.23110	7.3
71.04979	0.8
79.05498	1.1
81.07050	2.2
82.79855	0.6
85.06537	0.8
89.43777	0.8
91.05456	1.1
93.07027	2.3
95.08604	2.1
105.07011	1.4
107.08601	1.2
109.06470	1.0
109.10152	1.7
117.06899	0.8
121.10148	1.3
131.08507	1.2
131.32819	0.7
196.63737	0.7
252.63934	0.7
261.14905	0.8
278.15555	0.8
303.15915	1.1
306.55655	0.7
311.85153	0.8
317.20737	1.9
335.21915	100.0
336.22168	1.6
339.37167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	2.4
55.01850	1.0
55.05516	13.9
55.75332	1.2
57.03199	1.3
57.03440	16.1
57.07067	1.8
61.31054	1.0
65.03929	2.9
67.05507	62.7
69.03448	1.2
69.07068	15.7
69.25349	10.3
71.04993	2.2
79.05076	2.3
79.05500	27.4
81.07058	56.8
83.04989	2.1
83.08606	5.5
91.05486	16.6
93.06490	2.2
93.07048	34.3
95.08611	52.7
97.06527	2.5
97.10154	2.6
99.08115	2.1
105.07043	9.7
107.08602	17.0
109.06522	1.6
109.10163	24.0
117.07016	2.6
119.08583	6.9
121.10146	15.1
123.08041	1.6
123.11731	4.7
131.08577	5.0
133.10164	5.8
135.11697	10.6
137.13232	1.8
145.10146	3.9
147.11691	3.0
149.13251	4.5
159.11694	3.3
161.13248	4.7
163.14742	1.7
165.12767	1.2
173.13214	2.9
187.14865	2.0
207.81575	1.2
211.11775	1.3
243.21153	1.9
261.22137	7.6
273.20056	1.2
335.25818	100.0
336.25977	2.0
349.78543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.6
58.99586	4.0
59.05009	2.8
61.87654	1.5
63.62251	2.2
65.03916	2.2
67.05518	7.4
69.03432	2.2
69.07057	3.6
70.39317	5.5
70.39663	2.2
71.04986	1.7
76.02235	18.4
79.05499	4.6
81.07073	5.4
83.04972	2.2
83.08620	2.0
85.10174	2.7
86.09721	2.1
91.05494	3.6
93.07043	3.6
95.04987	4.1
95.08617	4.1
100.02209	5.1
101.00620	2.2
102.00141	4.2
105.07047	5.4
107.08618	6.8
109.06499	3.3
109.10208	2.7
117.00108	2.8
119.08604	3.0
120.01208	4.0
120.04499	2.2
121.06489	2.6
121.10152	3.0
122.02766	4.7
122.06017	3.8
123.08121	2.8
133.10178	3.2
135.08076	2.9
137.05975	2.5
137.09612	2.4
138.09163	2.7
143.08522	2.7
144.01183	17.8
148.00642	7.0
156.02940	3.5
161.09645	2.8
162.02217	42.4
164.07068	2.0
171.11725	2.9
190.01703	18.5
201.13927	5.9
208.00853	1.3
208.02757	38.3
212.10709	7.1
214.12509	2.5
215.08168	5.4
215.11880	1.9
227.08200	2.2
228.08972	8.7
229.09795	5.0
229.13411	27.5
240.10294	3.3
242.10616	5.6
243.11343	17.6
257.12881	100.0
259.14481	3.0
285.12366	69.7
303.13416	90.7
317.17419	3.5
317.20917	3.1
335.12659	2.4
335.18591	4.6
335.22415	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	335.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.3
57.03423	2.4
61.02921	2.3
69.03086	1.5
69.03433	18.8
70.06573	1.1
71.04991	5.1
71.37071	2.0
79.77405	0.9
81.03423	31.8
84.08113	0.9
85.02908	65.1
97.02909	5.0
98.90852	1.0
99.04461	34.8
103.03948	65.6
109.02139	1.5
109.02885	27.9
110.08591	1.0
112.72596	1.0
127.03924	100.0
145.04961	11.9
155.07050	1.2
163.05898	1.1
187.06020	11.7
233.10269	2.0
253.07080	4.8
271.08124	2.2
311.81320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16998	1.0
53.03943	1.1
55.01861	1.7
55.05487	1.4
65.03929	1.8
67.05509	6.8
68.05044	1.0
70.06602	6.2
71.04990	1.1
71.51865	1.0
71.52263	1.6
72.08154	1.4
74.06066	0.9
79.05492	2.6
80.05041	1.0
81.03416	1.3
81.07055	2.3
83.04971	1.2
84.04492	1.7
84.08131	2.2
85.02914	1.7
85.06580	0.9
86.09702	4.1
91.05491	2.5
93.07041	3.2
94.06553	1.0
95.04954	3.5
95.08619	2.1
97.06514	1.2
98.06047	1.0
105.06999	2.0
107.04951	1.2
107.08585	1.4
109.02895	1.9
109.06496	1.3
109.10126	1.6
110.06027	3.5
117.07013	1.6
119.04985	1.9
119.08542	1.4
120.08082	4.9
121.06490	1.2
122.06057	3.5
124.04783	1.2
124.07607	1.7
127.03920	1.4
129.06999	1.0
130.05017	1.3
131.08586	1.5
135.08009	1.0
136.07545	2.2
137.02335	2.0
138.05487	6.4
143.08644	1.1
145.10091	1.4
146.05968	1.8
147.04428	5.7
150.05527	2.2
152.07065	3.6
153.06607	3.1
154.04994	2.8
156.08022	1.1
157.07608	1.7
158.05994	2.0
158.08046	1.4
160.07607	1.4
164.07045	1.5
166.05005	7.8
168.06560	1.4
170.09641	2.4
171.25784	1.0
172.11223	1.1
174.09140	1.8
178.05003	1.3
183.06702	1.1
184.07512	2.4
185.08380	1.4
185.10881	1.1
186.07755	1.2
186.09180	2.6
188.07089	1.4
198.05432	1.2
198.09177	6.7
199.08615	2.3
200.07135	1.4
200.10793	1.9
201.10333	2.6
202.08769	1.6
208.88243	1.0
210.09146	1.3
211.08736	1.6
212.07133	5.0
212.09200	1.2
213.07988	1.7
213.10117	1.6
214.08611	3.8
215.08134	4.6
215.11737	2.0
217.09595	1.2
224.07095	1.5
225.06505	1.1
225.10225	3.8
226.08754	10.1
227.07903	5.8
229.09782	7.3
230.06693	3.7
230.08273	3.7
231.07747	2.3
231.11240	1.4
233.09384	1.2
238.08620	1.5
239.08113	2.6
240.06645	2.1
240.08763	6.9
241.09723	3.9
242.10487	3.0
243.07639	2.5
243.11372	5.1
244.09651	3.6
245.10812	4.8
253.09726	3.7
254.08159	7.0
255.08736	1.1
255.11365	2.8
256.09647	1.4
257.09305	9.7
258.07492	1.2
258.10074	2.4
259.10791	3.2
261.08643	1.4
263.16428	1.9
268.08517	2.9
269.09338	1.3
271.10785	7.2
272.09213	8.1
273.09738	1.1
275.10342	4.9
281.09155	1.4
282.07626	1.7
286.09479	7.1
287.10217	3.6
289.11865	24.8
299.10278	19.9
300.08679	4.0
317.11322	100.0
335.12363	78.2
336.12918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01866	1.2
62.64900	0.5
65.03932	1.0
67.05492	1.2
69.03420	0.6
69.07066	1.6
69.77787	2.5
70.06592	4.7
72.08157	1.0
79.05464	0.5
80.05015	0.7
81.07049	1.1
84.04518	1.0
84.08125	2.3
85.02882	0.7
86.09686	1.5
91.05478	1.0
93.07036	0.6
94.06581	1.0
95.01289	0.5
95.04958	1.1
95.08594	1.0
96.04497	1.2
97.02850	0.8
97.06507	0.5
105.06990	0.6
108.04441	1.3
108.08080	0.5
110.06029	1.2
110.07160	1.2
120.04472	1.5
120.08090	1.3
121.02837	0.5
122.06025	2.5
124.03928	1.0
124.07561	1.3
127.03938	0.6
128.06256	0.9
129.07005	1.5
129.10190	0.6
130.06509	1.1
131.07291	0.6
131.08545	0.8
132.08063	1.4
136.03899	0.9
136.07599	4.1
137.05956	0.8
137.09518	0.5
140.01704	0.6
141.31438	0.5
143.07353	0.6
143.08485	1.1
144.08072	2.8
146.06015	1.5
146.09605	0.8
147.09145	0.5
148.03888	1.0
150.05492	0.9
152.07095	1.2
154.06583	0.9
155.07310	0.8
155.08549	0.7
156.08096	2.9
157.07651	0.6
157.08873	1.2
158.06050	0.9
158.08354	1.4
158.09639	2.4
159.09169	0.7
160.07605	2.8
161.10739	0.6
164.07051	1.8
168.08102	1.2
170.09601	3.3
171.07935	0.7
171.09239	0.8
172.07588	8.0
172.09950	2.0
172.11261	1.3
173.10751	3.5
174.07869	1.3
174.09163	2.5
175.08647	5.6
182.08327	0.8
183.06761	0.6
183.09233	0.8
184.06076	0.7
184.07600	10.0
185.06984	0.9
185.08388	1.1
186.07805	1.0
186.09160	6.4
187.08652	1.6
187.12326	5.7
188.06990	1.4
188.09393	1.3
188.10793	1.2
189.10246	3.5
196.07593	0.8
197.10739	1.3
198.09183	11.4
199.08615	3.9
200.07065	12.3
200.09395	3.8
200.10774	2.2
201.06505	0.8
201.10213	12.2
202.08725	1.2
203.08215	1.4
211.08591	4.2
212.07185	3.5
212.08939	0.5
213.06596	2.0
213.10310	1.2
214.07219	2.2
214.08714	2.1
214.11031	1.4
215.08418	2.7
215.11804	15.2
216.08746	1.2
217.09727	7.2
225.10120	2.7
226.08633	5.1
227.08197	8.7
228.06561	2.8
228.08928	2.4
229.09727	32.5
230.10396	1.2
231.11368	0.8
239.08180	2.4
241.09714	1.7
242.10506	3.1
243.07663	1.0
243.11307	30.3
244.09940	1.1
245.09242	31.0
253.09744	7.9
254.08083	1.2
256.08347	0.9
257.09232	11.8
258.10013	2.1
259.10776	6.6
260.09119	0.9
261.12399	0.9
269.09311	0.6
271.10776	100.0
273.12335	3.6
275.10010	0.6
281.09222	14.8
281.12283	0.9
282.07620	0.8
287.10269	33.0
288.10861	1.2
289.11832	13.0
299.10281	31.3
304.10141	0.6
305.11328	12.1
307.12878	0.7
317.11325	26.9
335.12402	14.1
335.15933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
55.05505	4.5
57.07064	3.7
67.05511	16.2
69.07078	18.8
70.18374	4.8
71.08640	10.9
72.04530	13.2
79.05499	9.0
81.07062	20.9
83.08605	3.5
85.06553	3.0
86.08863	1.5
91.05480	5.8
93.07063	18.2
95.04971	17.4
95.08619	20.9
97.06525	5.3
98.09711	4.0
99.08096	4.4
105.07031	8.4
107.08598	11.5
109.06533	19.6
109.10163	5.7
112.07543	1.5
114.09161	8.2
117.07030	1.6
119.08572	6.7
121.06517	4.5
121.10160	3.9
123.08130	1.5
128.10718	3.3
131.08600	8.8
133.10147	6.5
135.08070	3.7
135.11690	1.5
137.09651	2.5
140.10783	1.6
142.12225	1.5
145.10155	3.4
147.11717	2.6
149.09674	1.9
149.13243	4.9
151.14815	1.9
156.13844	1.8
159.11702	3.0
163.11269	2.1
163.14919	2.7
165.12769	100.0
166.57408	1.5
173.13268	9.0
175.11209	3.4
175.14824	2.6
177.12950	1.5
180.13889	2.7
182.15465	11.1
184.13367	4.4
191.14299	9.5
201.12723	4.6
205.43816	1.5
212.16466	15.0
220.16985	7.0
221.48320	1.3
229.19527	2.1
236.20116	24.5
271.20590	8.4
278.21210	1.7
289.21625	13.6
291.23398	2.5
316.26547	6.8
334.27457	72.6
335.25668	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
62.98244	5.0
70.19312	11.2
94.93044	5.4
98.75294	4.3
98.98460	9.9
104.10710	10.6
122.82635	4.3
206.86952	4.3
214.84082	10.2
295.88455	4.3
296.97818	4.3
322.14813	4.2
325.24225	4.9
335.07358	100.0
335.09851	41.8
349.50568	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	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
65.59740	2.1
70.80700	2.5
70.81046	3.2
72.16130	2.1
126.94659	1.6
180.25363	1.9
194.87888	1.9
335.07083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37971	1.3
55.05510	7.2
68.04311	1.3
70.94254	1.3
71.50679	1.7
72.08157	100.0
94.77630	1.3
94.93005	2.3
98.98449	1.8
118.08660	76.7
149.99272	1.4
162.22293	1.3
189.97626	2.9
190.08368	1.4
243.95280	1.4
261.95856	1.6
322.49359	1.5
335.09427	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	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
53.25677	0.6
55.01877	4.1
55.05510	4.4
57.03418	1.0
57.07076	9.1
58.07388	1.3
65.03930	0.7
67.05503	12.4
67.48066	0.5
69.07071	6.6
69.08907	0.6
69.75534	1.4
69.75938	2.4
71.04991	0.7
71.08631	13.5
72.04519	68.8
72.08951	1.0
75.04480	0.8
79.05491	7.2
79.05916	1.0
81.06592	1.2
81.07059	15.8
85.04511	0.8
85.06532	2.7
85.10163	2.0
86.10524	1.0
88.07619	1.5
89.06046	4.3
89.26862	0.6
90.06347	1.2
91.05479	4.5
92.08157	0.6
93.07043	12.0
95.04968	16.7
95.08611	18.6
97.06522	3.8
97.10236	0.7
98.09669	1.7
99.08093	4.8
100.07617	2.5
105.07034	7.5
107.08602	12.2
108.05688	1.0
109.06524	24.1
109.10156	4.5
111.08092	0.7
114.09172	18.5
117.07031	1.3
119.08585	6.3
121.06503	3.0
121.10153	3.1
123.08080	1.6
128.10727	6.9
131.08556	4.9
133.08588	0.8
133.10129	9.0
135.08069	2.6
135.11659	1.0
137.09622	2.5
140.10683	1.4
141.12697	1.1
142.12277	3.4
145.02888	0.7
145.10098	3.1
147.08080	0.9
147.11742	3.2
149.09633	2.3
149.13252	3.7
151.09633	2.9
151.11081	0.6
151.14870	1.1
152.09990	1.1
154.12256	1.1
156.13821	2.6
158.32161	0.7
159.11641	2.1
163.11148	1.5
163.14850	1.0
165.12758	100.0
166.12265	1.4
168.13828	0.7
170.15454	1.0
173.13261	6.5
175.11160	3.4
179.14340	1.6
180.13850	3.3
182.15399	14.8
183.11723	1.1
184.13307	3.0
184.16917	1.7
187.14807	1.4
191.14305	7.2
194.15402	1.9
201.12718	5.1
212.16460	11.0
215.14241	0.9
220.16960	15.3
224.72565	0.7
229.19487	3.3
236.20100	41.9
238.21593	0.9
253.19586	1.2
261.22095	0.7
271.20529	8.0
278.21164	1.7
289.21616	8.5
316.26309	8.0
334.27432	79.2
335.25906	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.96560	1.0
67.05495	1.3
69.07061	1.5
71.52630	0.9
79.05499	0.8
79.78078	0.4
81.07051	1.9
83.08591	0.5
84.51356	0.5
85.06564	0.7
91.05482	1.7
92.12103	0.5
93.07042	1.5
95.08614	1.1
98.98476	10.8
100.98881	0.8
105.07029	1.3
105.40305	0.5
107.08589	1.5
108.30001	0.6
109.10169	3.2
116.00267	0.5
119.08566	1.8
121.06482	0.5
121.10114	1.2
123.08087	0.8
127.03902	0.5
127.11190	0.7
131.08580	0.8
133.10146	1.9
135.08038	0.9
143.08591	0.7
145.10162	1.1
147.11697	0.6
151.07526	0.6
158.25165	0.5
161.09703	0.5
173.13223	0.5
176.98972	1.6
181.04900	0.6
189.12732	0.6
231.13942	0.6
232.64986	0.4
245.11879	0.5
289.34198	0.6
300.66422	1.3
301.16544	0.6
309.66913	1.4
310.17401	0.6
315.19147	0.6
315.28699	1.0
316.07440	0.6
321.17538	0.7
333.20370	100.0
333.29739	3.5
334.20471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01883	0.4
55.05507	1.0
57.03430	0.4
57.07076	0.9
67.05496	1.6
69.07063	1.0
71.53033	0.7
79.05486	1.3
81.07050	1.4
91.05477	2.0
93.07047	2.7
95.04947	0.7
95.08617	0.9
96.99709	0.5
97.06516	0.5
98.98471	6.9
105.07039	2.5
107.08585	1.6
109.06499	0.5
109.10161	1.1
117.06992	0.7
119.08585	1.8
121.10139	1.0
123.08052	0.6
131.08582	1.5
133.10143	2.2
135.08055	0.9
143.08595	0.7
145.10103	0.9
147.11705	0.7
161.09659	0.5
162.58983	0.4
165.80826	0.4
169.10063	0.5
171.11722	0.5
173.13274	0.4
176.98952	0.6
192.73250	0.4
193.04962	0.7
196.12506	0.5
211.14890	0.9
224.65755	1.2
285.80362	0.4
333.20364	100.0
333.76202	0.5
334.20566	0.6
347.95129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05510	2.0
55.97006	0.7
57.06364	0.7
67.05493	2.3
69.07061	1.5
71.52283	1.2
76.43088	0.7
79.05491	0.9
81.07034	1.7
83.04984	1.1
83.08593	1.1
91.05473	1.6
93.07052	2.0
95.04982	0.8
95.08619	1.7
98.98470	14.8
105.07036	2.9
107.08585	2.3
109.06503	1.2
109.10165	3.7
119.08588	2.0
119.10413	0.8
121.10148	1.8
131.08588	1.4
133.10138	1.3
135.08099	0.9
136.02263	0.8
137.05952	0.9
143.08580	1.1
153.09210	0.9
153.26424	0.8
157.10161	0.9
159.08015	0.9
173.13263	0.8
176.98866	2.1
196.75601	0.8
199.11249	1.1
235.13007	0.8
246.01454	0.8
301.18155	0.8
333.20370	100.0
334.20737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05267	1.3
55.05516	12.4
56.05029	3.5
57.03440	1.5
58.25493	0.8
59.04995	1.4
61.02919	1.7
67.05513	2.4
68.05042	4.3
69.03434	4.6
69.07069	2.8
70.06606	5.1
71.04999	9.8
72.08163	47.8
73.02917	1.0
73.06560	6.4
77.20779	0.9
79.05497	1.8
80.55670	0.8
81.03412	2.3
81.07064	11.7
82.02971	1.4
82.06579	4.0
83.04971	1.8
84.04514	55.5
84.08154	3.2
85.02914	21.2
85.06549	2.0
86.09720	13.5
90.09198	2.7
91.05501	1.6
93.07052	10.9
94.06567	2.9
95.04996	1.1
95.07365	1.0
95.08620	5.3
96.04504	5.7
96.08124	2.3
97.02899	5.4
97.06540	4.1
98.98482	11.9
99.04439	1.3
100.98885	1.0
102.05553	6.6
103.05461	0.9
107.08604	6.6
109.02896	1.9
109.06615	0.8
109.10174	2.6
110.09693	72.6
111.08070	1.5
118.96752	1.3
120.08113	2.9
123.04436	0.9
123.11735	5.0
125.09663	1.0
127.03938	3.1
127.11226	1.6
132.10205	5.8
135.11713	10.2
137.05995	2.1
138.09154	87.6
140.14362	1.3
141.06580	0.9
141.12758	16.6
145.04985	2.4
147.04388	1.1
150.46527	0.8
153.09109	1.0
153.11520	1.6
153.12766	31.9
155.14221	0.9
156.10219	40.9
163.03893	1.4
166.08661	3.2
167.07082	2.2
171.10257	1.4
171.12321	0.7
171.13809	20.8
174.11276	100.0
175.11577	1.0
176.98953	2.1
184.09509	0.8
197.12903	3.7
243.13402	5.8
251.17529	6.0
269.18698	0.9
279.17007	1.1
287.09335	1.4
297.18121	70.5
315.09775	1.8
315.13483	1.3
315.19186	22.9
329.96832	0.8
333.10818	2.5
333.20236	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09488	1.2
53.03930	1.5
55.01890	1.5
55.05272	1.4
55.05516	14.1
56.05034	3.6
57.03429	2.6
57.07082	1.3
59.05018	1.4
67.05499	2.0
67.20416	1.5
68.05038	6.2
68.42042	1.4
69.03424	7.4
69.07067	5.2
69.37728	1.4
69.41644	9.7
70.06598	8.0
71.04999	9.9
72.07758	2.2
72.08159	45.9
73.02924	1.7
73.06557	9.0
79.05507	4.6
80.05023	1.5
81.03412	3.4
81.07068	13.7
82.06559	4.0
83.04968	4.0
84.04508	53.4
84.08136	5.5
85.02905	21.0
86.06024	1.3
86.09708	16.9
87.04472	1.9
90.09190	3.0
91.05479	3.4
93.07064	10.7
94.06574	2.8
95.04985	2.1
95.08607	4.7
96.04498	4.2
96.08138	2.5
97.02896	5.6
97.06548	3.2
98.98467	21.1
99.04462	1.8
102.05547	6.2
107.08601	7.4
108.04470	3.1
108.48035	1.3
109.02895	2.8
109.06523	1.5
109.10178	4.6
110.09688	63.9
111.04428	1.6
111.08096	2.0
120.04435	1.5
120.08098	4.4
122.06115	1.4
123.04419	2.4
123.11698	3.2
125.09631	1.8
127.03955	3.3
129.10201	1.4
132.10214	3.8
135.11688	12.9
136.07588	1.6
137.06015	5.8
138.09146	84.6
141.12766	20.0
145.04927	3.4
147.04420	4.0
148.03911	2.0
151.03963	1.3
152.07094	3.5
153.05493	1.5
153.09113	2.2
153.12744	36.0
156.08997	2.3
156.10214	32.0
166.05020	4.3
166.08646	3.3
167.07089	3.4
168.06621	3.8
170.11768	2.4
171.10143	3.1
171.12207	3.3
171.13802	29.2
174.11267	100.0
176.98975	3.8
197.12889	4.4
225.09462	1.4
241.09966	1.6
243.13441	4.0
251.17619	6.4
269.18771	2.0
279.17200	1.5
287.09900	2.4
297.18100	76.6
301.11685	1.8
309.70612	1.5
315.09695	5.9
315.13278	1.6
315.19141	22.1
333.02353	1.6
333.10989	4.0
333.20221	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.191
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.27464	5.2
55.01850	17.1
55.05496	23.6
57.03433	45.9
57.07071	64.4
60.04536	7.7
61.02921	17.8
62.08157	5.7
67.05495	16.3
69.03426	27.4
69.07056	26.1
70.06586	22.5
71.04972	8.4
71.51883	8.1
72.07818	6.0
72.08160	44.4
75.65277	6.1
75.92609	5.3
79.05471	13.3
81.03414	13.9
81.07056	70.0
83.04986	33.7
83.08611	14.4
84.04485	38.3
84.08136	43.8
84.59216	6.3
85.02905	99.4
85.06544	30.5
86.09709	26.6
91.03967	14.5
91.05470	14.4
93.07035	21.9
95.04964	15.6
95.08613	31.6
97.02916	27.4
97.06530	13.9
98.98468	100.0
99.04457	9.9
99.08107	56.6
102.05544	11.0
105.07016	15.9
107.08578	16.8
109.02903	10.9
109.06538	13.8
109.10152	66.4
110.07193	12.3
110.09721	32.3
110.10371	8.3
111.04427	7.6
111.08093	9.3
113.10889	8.4
119.08554	5.7
120.08089	28.9
123.11701	8.6
127.03929	27.2
127.11198	63.3
129.10222	26.4
130.06618	7.0
135.08029	19.7
135.11684	19.1
137.05971	10.4
137.09637	8.3
137.13226	7.1
138.09143	47.8
145.04962	31.7
147.11685	5.9
149.09598	10.8
151.11163	12.5
153.05444	11.2
153.12750	69.2
155.14320	70.8
156.10239	10.1
161.09547	8.2
163.11230	6.2
171.13823	68.2
174.11264	43.6
175.08736	10.2
176.98891	13.5
195.13728	13.3
197.12901	8.8
241.09750	10.0
259.10736	7.6
271.14761	6.2
273.12323	8.8
283.10654	7.2
297.18094	37.4
301.11893	28.3
315.09427	6.4
315.19257	9.3
333.10681	6.4
333.14105	7.4
333.17264	6.5
333.20340	44.6
342.82523	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	333.116
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
51.89615	1.0
54.33800	0.9
56.62972	0.9
65.54639	0.8
69.03398	1.1
70.06579	1.3
70.35303	2.9
70.35719	1.8
72.08160	1.0
73.06461	0.9
84.08145	2.4
85.02905	3.0
86.09702	1.5
91.05447	1.3
97.02889	1.6
98.98479	21.1
100.98911	1.3
106.41124	1.0
131.06870	1.2
134.43719	1.0
137.06013	1.2
147.04317	1.2
151.03990	1.3
153.05244	1.6
171.06331	8.8
175.07286	1.0
176.98958	4.2
185.04306	1.2
194.82484	1.1
203.05286	6.2
271.11603	2.0
287.11047	41.9
306.03781	1.4
333.11591	100.0
333.15039	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	333.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.0
57.03428	2.7
61.07852	1.6
67.05506	15.2
69.03435	2.8
69.07063	3.8
71.05015	2.0
71.52484	1.7
74.82573	1.7
79.05492	4.8
81.03415	2.0
81.07056	6.7
83.04971	3.8
83.08598	2.0
85.02904	3.3
91.05477	5.7
92.05037	1.8
93.07059	4.4
95.04963	5.3
95.08595	5.7
97.02912	2.0
97.06516	2.0
98.98482	29.5
100.98911	2.7
105.07044	5.4
107.08614	4.5
109.02889	2.7
109.06530	3.2
109.10180	8.7
109.89868	1.7
111.04472	2.6
117.06989	2.5
119.08555	6.6
121.06493	2.8
121.10152	3.5
123.04404	3.8
123.08098	4.0
127.03860	1.8
131.08618	1.8
135.08096	2.6
136.07478	1.9
137.05992	7.7
141.07011	2.1
145.10153	3.1
147.04384	2.7
149.09656	2.2
151.07524	2.9
153.09084	2.0
155.08542	2.7
157.10123	3.3
159.07993	2.0
163.11206	1.5
165.09137	2.1
167.07036	6.0
169.10132	1.9
170.08424	2.1
173.11740	6.2
176.98976	3.0
181.04968	2.1
182.09636	3.6
184.11310	2.4
187.08736	2.7
187.11244	2.9
198.07800	3.1
198.09401	1.8
199.12361	5.5
210.09148	6.5
211.08740	2.8
212.09238	9.0
212.11140	2.6
213.10219	6.7
225.06552	2.8
226.07420	2.3
227.11818	24.4
229.14357	4.0
237.10205	2.8
238.08644	3.6
239.08159	2.7
240.08972	13.1
241.09776	30.2
245.09988	2.0
247.17087	2.0
253.09735	1.9
255.11322	100.0
257.12918	6.6
283.07916	3.0
283.10828	40.3
301.11874	77.6
302.12225	2.2
333.09961	2.3
333.14294	6.7
333.20618	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	333.1157
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
57.03422	0.4
67.05503	0.6
69.03426	1.1
69.95684	1.0
69.96068	1.4
70.06605	0.5
70.28993	0.4
72.08148	1.6
72.23428	0.5
73.08489	0.5
84.08154	1.0
84.68723	0.5
85.02895	1.9
86.09695	0.9
87.04506	0.5
97.02847	1.0
98.98475	4.9
108.08135	4.5
109.07892	0.5
109.08466	4.6
110.01231	0.5
119.01935	0.8
123.05547	2.1
124.07588	0.9
125.07908	0.5
128.81183	0.4
131.01910	1.0
135.06396	0.5
136.06181	1.6
136.07639	0.5
137.07957	1.0
143.01918	0.7
145.03471	0.9
152.07074	3.6
153.05232	1.9
153.07437	3.1
155.01857	0.8
159.55994	0.4
171.02582	0.9
171.06296	5.0
171.08389	0.5
173.02968	0.5
176.98782	0.6
177.02406	0.5
183.04016	0.9
185.02798	0.7
185.04234	1.4
185.06627	0.9
191.97197	0.6
203.04007	1.9
221.05101	4.3
222.76808	0.5
227.03958	1.1
244.04242	0.5
245.04921	0.5
271.11557	1.9
273.04590	0.5
287.10703	5.5
305.10855	4.3
315.01974	0.5
315.05594	0.6
315.12762	4.1
333.11502	100.0
334.11829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2183
Annotation	Ile Ser Leu
Peak:m/z	Relative Intensity
51.33368	0.4
55.05506	0.5
57.49910	0.3
60.04530	16.2
60.05634	0.4
67.05501	0.4
69.07072	1.1
70.06603	2.1
71.03103	0.9
72.08151	0.5
81.03399	0.5
81.07057	0.6
83.05000	0.5
84.08150	2.0
85.02903	1.1
86.09711	100.0
87.04470	0.4
87.05595	0.9
95.04992	0.4
97.02882	0.6
98.98475	8.0
99.04466	0.6
109.10146	0.5
110.09716	0.6
115.10779	0.4
119.04963	0.4
120.08134	1.0
124.58527	0.4
125.10811	2.1
127.60842	0.3
128.10776	1.8
129.10263	0.5
130.06569	0.5
130.72928	0.3
132.09221	0.8
132.10217	15.1
132.98888	0.3
137.05962	0.5
138.09154	0.6
147.04422	0.5
154.84195	0.3
155.11819	3.0
156.10103	0.4
169.12245	0.9
170.12610	1.7
173.12865	24.2
176.98965	0.5
179.54646	0.4
183.11272	2.1
190.09547	0.5
201.12352	28.7
202.10701	0.4
219.13408	26.8
229.11916	1.0
252.38142	0.4
296.19806	0.8
314.20712	2.5
327.18936	0.4
332.12332	0.5
332.17725	3.1
332.21893	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	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
61.02922	2.4
65.03951	1.2
67.05495	2.7
69.03439	7.0
70.06588	1.8
70.48159	0.7
71.05017	1.0
71.36674	1.3
72.08153	1.4
73.02924	2.3
79.05501	1.5
80.24156	0.6
81.03414	1.6
81.04529	0.9
81.07059	1.2
84.08150	1.2
85.02906	7.7
87.04479	1.8
91.03994	0.7
93.05776	0.8
94.93034	4.8
96.08150	1.0
97.02880	3.8
98.98477	3.6
99.04476	1.4
104.10737	2.4
106.06544	6.2
108.08124	100.0
109.02839	1.0
123.06815	5.1
124.07606	16.3
127.03927	1.4
134.06032	11.3
136.06558	0.8
136.07584	14.3
136.77101	0.8
144.10248	0.7
152.07074	87.9
153.07498	1.0
154.08627	2.2
170.08110	11.2
170.09357	1.7
185.85567	0.8
185.90350	1.0
196.86736	6.2
203.91241	0.9
204.87013	5.8
212.84267	9.3
245.49826	0.7
253.93051	0.7
278.83664	1.0
314.12350	41.5
332.13443	77.4
333.11279	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	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03945	1.1
57.03435	2.1
58.27290	0.7
61.02920	3.1
65.03949	1.0
67.05508	1.8
69.03429	6.4
70.06586	4.2
71.03284	1.4
71.18127	0.6
73.02925	1.9
79.05488	1.6
81.03418	1.6
81.07056	1.1
84.04502	0.8
85.02911	11.6
86.09683	1.0
87.04449	2.1
93.05765	1.0
96.08151	0.9
97.02899	4.5
98.98511	0.9
99.04510	1.1
106.06549	7.8
108.08120	90.1
108.71106	0.7
109.02871	1.5
114.05588	0.8
116.07071	1.8
123.06824	3.9
124.07597	23.5
127.03933	1.8
134.06021	11.7
136.07574	12.2
145.04979	0.9
147.07672	0.9
152.07068	100.0
154.08655	1.9
170.08128	21.8
247.40240	0.7
314.09604	0.9
314.12332	38.0
332.13409	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14373	2.2
53.61744	2.4
55.27813	2.3
56.70015	2.4
57.03423	4.6
61.02918	8.7
62.09204	2.6
63.24120	2.4
69.03430	16.9
70.06575	6.1
71.04979	2.6
71.51255	2.8
72.08139	5.5
73.02904	6.4
73.06451	2.4
81.03433	5.0
84.08136	3.9
85.02907	100.0
86.09308	2.7
86.09716	31.8
87.04487	3.2
89.69631	2.5
91.03938	3.9
97.02887	27.7
98.06090	2.8
98.98471	49.0
107.04958	28.5
109.02891	7.9
111.77298	2.5
124.07618	3.5
127.03911	19.9
145.04971	52.2
150.60732	2.7
152.07040	12.8
153.05482	12.9
163.06049	12.0
163.75974	2.5
170.08138	19.3
173.06000	4.7
176.98955	2.8
180.08676	18.1
199.18018	6.1
213.15952	3.9
219.06517	5.9
227.17580	4.2
230.57837	2.5
274.88736	2.2
332.13412	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	331.2842
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05510	9.6
57.03428	5.0
57.07077	79.4
65.03966	1.7
67.05507	21.7
69.07072	15.0
70.84625	3.9
71.08633	57.0
75.04477	3.7
79.05486	2.9
81.06599	2.2
81.07056	33.5
83.08623	21.2
85.06506	2.2
85.10184	30.1
89.06018	3.0
91.05453	2.7
93.07030	3.4
95.04976	3.0
95.08611	44.8
97.06444	1.1
97.10172	12.8
98.98470	100.0
99.08073	1.7
100.98892	1.7
104.49834	1.2
105.07043	1.5
107.08566	2.4
109.10156	22.6
111.11727	4.6
117.06999	1.8
119.08567	2.6
121.10155	1.5
123.11703	11.0
125.13236	3.5
129.07011	1.3
131.08551	1.9
131.21509	1.3
137.13258	6.2
139.14799	1.7
140.01044	1.4
145.10100	2.3
149.09518	1.4
151.14793	3.7
161.13167	1.7
165.16345	1.9
174.99242	5.3
176.98985	11.0
221.22687	2.2
239.23680	27.5
252.99660	2.0
257.24765	5.6
313.27393	66.5
331.22592	3.9
331.33929	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48383	1.2
52.02149	1.1
53.15668	1.1
55.01873	2.0
55.05508	2.9
55.35862	1.3
56.05038	2.3
58.06602	1.2
65.03937	1.5
70.06602	9.2
70.07686	5.4
71.60246	1.4
72.08180	6.7
74.06083	3.5
84.04490	4.0
84.08163	6.1
85.02928	1.7
86.09716	11.8
91.05490	6.1
95.04951	3.2
95.68909	1.1
98.97578	1.4
98.97723	1.4
98.98476	25.0
100.98909	1.4
107.04954	7.5
109.02878	3.3
118.06566	12.4
119.04952	3.8
119.07332	75.5
120.05680	1.9
120.08149	2.8
121.06499	2.2
123.04443	2.0
125.02352	4.0
128.10730	1.7
129.10252	3.1
131.04897	2.1
134.06026	1.8
135.08040	2.4
137.06020	3.3
138.09183	1.4
142.12280	1.5
148.05051	1.8
151.03889	2.0
152.04680	2.0
153.28729	1.2
158.06038	1.4
165.07050	1.4
167.06966	1.6
167.08527	1.6
170.12059	1.3
173.12872	7.9
176.98930	1.2
181.06477	2.0
187.14426	2.8
194.07251	1.6
195.08035	8.3
199.07549	32.0
201.12497	1.3
210.06787	3.0
215.13904	2.9
219.13455	2.3
223.07552	45.4
223.09770	2.2
224.08015	1.5
225.09123	11.9
227.07040	48.3
240.10202	71.6
241.08580	5.9
251.07022	8.3
269.08093	42.2
271.09625	2.9
273.07617	18.1
273.60236	1.5
286.10757	100.0
302.35095	1.1
315.08618	40.5
332.11255	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05515	12.0
57.03448	8.9
57.07080	100.0
67.05506	22.5
69.07077	17.8
69.75430	5.5
70.06590	2.2
71.08636	66.0
75.04482	3.8
79.05490	1.8
81.07062	34.6
83.08624	24.6
85.10187	37.8
88.07652	2.9
89.06055	2.0
90.54787	1.5
91.05528	2.3
91.63672	1.4
93.00844	1.3
93.07018	1.7
95.08611	52.3
97.10171	11.1
98.21422	2.0
98.98477	39.9
99.11727	4.1
106.08679	2.8
109.10165	27.5
111.11745	4.6
113.13264	1.4
123.11722	13.3
125.13278	3.1
137.13290	7.3
139.14804	1.9
151.14833	2.4
165.16403	2.4
174.99226	2.5
176.98923	3.0
221.22586	3.1
239.23741	28.4
257.24759	8.2
267.32047	1.5
298.27670	1.5
313.27377	73.0
313.33054	2.9
331.33994	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	331.2479
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
53.03946	1.1
55.01876	1.5
55.05510	7.7
67.05504	9.0
67.69144	0.6
69.03430	1.0
69.07069	5.4
69.91903	1.0
69.92324	2.6
71.05005	1.2
71.08630	0.7
79.05486	6.5
81.07060	12.0
83.04970	1.2
83.08627	6.0
84.08144	0.8
86.09726	0.8
91.05477	7.2
93.07042	10.0
95.04964	2.7
95.08606	7.8
97.06530	2.2
98.98469	100.0
99.08119	0.9
100.98897	2.6
105.07034	5.5
107.08595	5.9
109.06537	1.9
109.10159	3.7
111.08074	2.6
116.39133	0.7
116.99516	1.5
117.07010	1.3
119.08602	6.0
121.06517	0.7
121.10180	5.8
121.80851	0.6
123.04433	0.8
123.08021	1.3
123.11697	1.1
125.09624	0.8
129.07021	1.3
129.09114	1.1
131.08565	2.4
133.10146	4.5
135.11681	4.2
137.05974	0.8
137.09625	1.0
139.11137	1.0
143.08578	1.0
145.10085	3.3
147.04420	0.8
147.11702	5.3
149.09645	1.2
149.13248	4.2
151.03899	1.1
151.07570	2.2
151.11223	1.1
153.01892	1.0
157.08904	0.7
157.10168	2.3
159.11691	2.6
161.13249	1.3
163.14772	1.0
165.12802	1.8
171.11723	1.7
173.09547	0.8
173.13292	1.2
174.99257	5.3
175.11261	2.1
176.98930	9.0
177.12724	1.4
179.14359	0.7
184.07530	0.9
185.13327	0.8
189.12732	1.4
193.12352	1.1
195.13786	3.6
197.13220	0.8
207.13779	1.9
217.04926	3.5
221.15359	0.9
228.04160	1.3
229.05046	0.8
245.04482	6.1
252.99722	1.7
253.05058	0.7
259.20609	2.1
273.03979	6.6
277.21677	10.2
285.03848	1.2
287.05594	3.1
288.06284	2.9
295.22687	4.8
300.02689	1.8
301.03412	10.9
313.17822	1.0
315.04959	15.6
316.05777	46.2
317.06100	1.5
325.85431	0.8
331.08133	63.8
331.11292	2.3
331.18948	3.6
331.22720	2.1
331.26251	0.9
332.08432	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.248
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.03947	2.0
53.27050	1.3
55.01876	3.5
55.05516	21.2
57.03442	4.2
57.07073	3.4
59.84715	1.3
65.03942	2.0
67.05509	54.4
69.03448	3.1
69.07074	24.1
70.10719	5.3
71.04993	17.3
71.08615	1.5
72.63182	1.4
75.04497	2.2
79.05497	34.8
81.03442	1.9
81.07062	60.8
83.04993	5.0
83.08625	9.5
85.06542	9.7
91.05477	20.4
93.07050	54.8
95.04990	4.9
95.08614	49.4
97.06538	7.4
97.10159	10.7
98.21429	1.8
98.98473	100.0
99.08104	15.7
100.98895	2.5
105.07043	12.9
107.08593	28.7
109.06508	2.3
109.10160	24.0
111.08103	4.4
113.09649	3.4
113.97086	1.5
115.32412	1.5
116.99523	1.7
117.07024	3.1
119.08610	10.8
121.06522	2.2
121.10151	54.0
123.08083	3.4
123.11711	6.0
125.09648	7.1
129.07047	2.8
131.08563	6.5
131.10690	1.9
133.10107	8.8
135.08124	2.8
135.11699	33.7
137.05907	1.3
137.09676	2.9
137.13223	1.3
139.11182	10.2
139.12077	1.3
143.08606	3.3
145.10139	10.2
147.11681	8.9
149.09624	3.4
149.13263	11.0
151.11125	1.9
157.10141	2.2
157.12241	1.6
159.11722	5.7
161.13278	5.0
163.11217	3.3
163.14897	2.1
165.12825	2.3
167.10693	2.4
171.11649	4.4
173.11781	3.2
173.13274	2.9
174.99261	6.2
175.14874	2.7
176.98924	7.6
177.12703	2.1
181.12282	2.6
183.13861	1.7
185.11726	6.7
185.13220	3.4
189.11191	2.4
189.93446	1.4
195.13855	4.1
201.14775	3.3
203.12798	6.4
207.13818	1.7
221.15398	2.0
241.19476	5.6
252.99792	2.0
259.20624	17.5
277.21643	57.9
295.22641	25.5
313.23712	3.9
331.11990	2.4
331.19055	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	331.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
55.13955	0.6
57.03445	0.7
57.07074	1.8
59.05008	1.5
67.05508	3.9
69.03436	1.3
69.07074	1.9
71.04994	0.8
71.53236	0.9
73.06574	1.3
77.19875	0.6
79.05512	2.9
81.07053	5.9
83.04977	1.1
83.08643	1.7
85.06565	1.5
85.10208	0.8
86.99437	0.6
87.04459	0.8
91.05486	5.9
93.07048	4.5
95.04976	10.6
95.08611	4.2
97.06499	1.2
98.98478	100.0
100.98907	2.5
101.06039	1.9
105.07044	8.5
107.08592	6.6
109.06546	2.6
109.10165	8.4
111.08109	0.9
115.05487	0.6
116.99532	1.1
117.07033	2.0
119.08590	9.3
120.68452	0.6
121.06518	2.0
121.10169	3.8
123.08080	2.9
125.05984	1.9
125.09647	1.2
129.07042	1.7
131.08574	5.6
133.10130	3.8
135.08061	5.8
137.09647	1.8
139.07530	4.5
139.11212	1.7
140.01071	1.2
142.07805	1.8
143.08578	4.3
145.10126	4.9
147.08089	1.7
147.11723	3.2
149.09608	3.9
151.07533	1.0
151.11223	0.6
153.09100	0.7
155.08534	1.2
156.09375	3.0
157.10156	4.6
157.17845	0.7
158.10890	0.9
159.08083	4.5
159.11752	1.8
161.09647	3.1
161.13333	1.1
163.07530	0.8
163.11217	1.1
165.09126	4.0
167.10690	0.8
169.10168	2.1
171.10237	1.0
171.11691	7.8
173.09663	1.4
173.13292	4.5
174.10480	0.9
174.40582	0.7
174.99205	5.3
175.11234	1.9
176.98933	9.6
177.09079	0.7
181.10184	1.3
182.10945	1.4
183.11736	1.1
184.12502	0.8
187.11226	1.1
187.14876	1.0
189.12720	4.8
192.09322	0.8
195.11795	0.8
197.13368	1.6
199.14900	1.9
203.14369	2.6
204.15045	1.1
205.15999	1.0
206.11020	0.6
207.11856	0.9
213.12799	0.8
221.15335	6.6
223.17014	1.4
225.12817	2.2
239.18158	1.0
252.99765	1.6
257.15582	0.8
263.18109	0.8
269.30405	0.9
271.20715	0.8
281.19043	2.7
299.20068	2.9
313.21548	1.7
331.14911	1.1
331.18903	23.3
331.22760	3.6
331.30313	1.6
331.34100	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.7
55.01871	0.8
55.05512	2.6
55.28711	0.7
56.37750	0.7
57.07066	1.0
60.40867	0.6
67.05497	2.0
67.27975	0.7
69.07071	1.5
70.06597	1.6
71.13805	0.7
71.29877	0.7
71.98296	0.6
79.05507	2.9
81.07063	3.0
83.04985	1.3
83.08619	1.7
84.08160	0.8
86.09712	5.7
86.54556	0.6
91.04915	1.2
91.05493	18.2
93.07044	1.7
94.04196	1.4
95.04970	3.7
95.08604	1.5
97.06554	0.7
98.09669	0.6
98.98479	100.0
100.11243	2.3
100.98901	1.9
103.05478	2.5
105.07041	3.7
105.62482	0.7
107.04967	4.8
107.08621	1.7
109.06528	2.9
109.10149	1.4
111.04417	0.9
115.05487	2.1
116.99509	1.6
117.07044	0.9
119.04953	11.1
119.08578	1.8
121.06506	4.4
122.03684	5.1
123.04399	0.9
123.08060	1.6
128.06267	2.9
129.07024	9.1
131.04933	3.3
131.08583	2.4
132.10216	2.9
133.06499	1.3
133.10123	1.0
135.08043	3.5
136.05220	1.6
137.05995	48.5
141.05498	0.7
141.07043	0.7
143.04988	1.6
144.04506	1.6
145.06487	2.3
145.10181	0.7
146.03642	0.9
147.04446	0.8
148.05150	0.7
149.06026	9.1
151.03993	1.9
151.07564	59.5
152.06258	1.9
153.07039	0.8
154.07811	1.0
155.08548	0.8
157.06494	9.3
157.10107	1.0
161.05998	12.1
161.09654	2.6
163.03874	1.2
163.06277	1.2
163.07559	9.9
165.07013	7.6
165.09204	2.1
166.07794	1.7
167.07227	1.4
167.08577	9.1
169.06673	1.0
169.10155	1.2
172.03920	4.8
174.06828	4.9
174.99232	4.1
175.07527	3.7
176.98950	8.7
177.09145	2.0
178.07822	4.3
179.08589	2.4
181.06432	3.6
182.07364	2.2
182.15468	1.4
183.08086	1.0
184.08772	0.9
187.03960	1.5
189.02156	0.7
189.09134	20.1
190.05013	36.6
191.08574	1.1
192.09381	1.4
193.06508	5.5
193.10173	5.4
194.07321	1.9
195.08047	11.2
197.05936	3.4
197.09668	0.8
202.07813	0.9
203.08719	1.6
206.07288	1.2
207.08031	1.9
207.10199	4.4
209.06128	1.9
209.09644	2.1
210.06769	6.5
210.14981	1.2
211.07600	2.6
212.08400	2.4
215.03403	3.8
221.06081	6.3
221.09602	6.4
222.06648	1.0
223.07542	5.5
224.08347	2.3
225.05521	1.0
225.09103	7.4
227.07094	1.8
227.10690	14.9
234.06651	0.9
235.07576	1.2
237.05559	0.9
237.09193	1.6
238.06250	3.3
238.10010	1.0
240.07903	2.4
241.08630	1.5
241.12370	0.9
243.02957	3.5
244.03835	1.8
249.09138	3.9
252.07944	2.3
252.99780	2.4
253.08617	8.5
253.12192	9.2
254.99292	1.3
255.06570	1.3
255.07310	1.4
255.10211	15.4
267.10117	4.1
269.08176	3.0
269.11880	1.0
270.08810	1.3
271.02490	2.7
271.09872	0.7
272.10507	2.6
281.11740	4.4
284.10474	1.4
285.11267	13.8
287.12811	30.9
299.09433	1.3
299.13779	2.1
303.05090	4.0
313.14429	10.5
313.17825	0.8
331.04547	22.5
331.07675	0.9
331.11670	3.8
331.15778	7.3
331.19232	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17970	0.9
55.01872	1.9
55.05507	1.8
57.07062	1.4
67.05497	2.6
69.03429	4.7
69.07063	1.7
70.06587	2.8
71.05000	2.4
71.13378	2.0
73.02901	0.9
79.05489	3.0
81.03433	2.2
81.07045	5.9
83.04996	2.5
83.08624	1.5
84.08142	1.4
85.02912	5.2
85.06527	4.8
86.09715	3.1
91.05479	20.0
93.07053	2.0
94.04188	1.1
95.04977	4.9
95.08604	1.8
97.02843	1.4
98.98470	100.0
99.04445	2.2
100.98912	2.2
103.05459	3.7
104.70151	0.9
105.07043	4.5
107.04957	7.2
107.08604	1.1
109.02907	1.9
109.06523	5.8
109.10149	4.6
111.04491	1.2
111.08089	2.5
113.05999	2.2
116.99509	1.7
117.07056	2.2
119.04923	10.7
119.08544	1.0
120.08099	1.5
120.70365	0.9
121.06541	4.4
121.10159	1.6
122.03642	6.1
123.04430	2.6
123.08021	1.5
123.11720	5.4
127.03941	1.7
127.22275	0.9
128.06259	2.5
129.07016	10.6
131.04961	4.6
131.08531	1.7
133.06519	1.8
133.10100	1.7
135.04434	2.3
135.08063	5.2
136.05208	2.0
137.05983	55.5
139.11182	1.9
143.04921	1.5
145.02780	1.2
145.06473	3.0
145.98186	1.1
146.03638	1.0
146.07292	0.9
147.04420	2.3
149.05980	9.0
151.03888	4.2
151.07549	67.7
151.11147	2.4
152.06183	1.9
153.12766	1.0
157.06485	9.0
159.04538	1.0
161.05978	17.9
161.09601	4.9
163.03848	5.0
163.07552	16.4
165.07027	5.9
165.09134	3.1
166.07689	1.2
167.08554	9.6
169.06554	1.3
169.12238	38.4
174.06796	3.5
174.99249	4.7
175.07564	3.3
176.98907	9.7
177.05557	0.9
177.07025	1.8
177.09135	2.2
178.07787	4.5
179.03401	1.4
179.08505	1.3
181.05011	1.8
181.06508	3.2
182.07321	3.1
187.07631	1.1
189.09105	24.3
192.09320	1.4
193.06593	4.8
193.08339	1.3
193.10156	4.3
194.07256	1.4
195.08064	15.0
197.06020	3.3
203.08592	1.7
205.06552	1.2
206.07358	1.2
207.10161	8.7
209.06076	1.5
209.09637	2.5
210.06837	4.6
211.07542	2.2
212.08360	3.4
213.09346	1.0
220.08861	1.1
221.05978	7.3
221.09590	8.7
223.07541	8.6
224.08331	2.2
225.05504	1.6
225.09032	6.9
227.07100	1.9
227.10677	19.3
234.06825	1.3
237.09122	2.5
237.39554	0.9
238.06285	3.1
238.09801	1.0
239.06973	1.1
239.10605	1.5
240.07776	2.6
241.12331	1.9
243.11392	1.9
249.09125	3.9
252.07942	2.3
252.99730	1.9
253.08603	9.9
253.12233	11.7
255.06493	1.7
255.10159	21.1
256.11057	1.3
267.07556	1.0
267.10223	3.6
269.08286	1.5
270.08963	1.2
272.10449	3.3
281.11710	4.2
284.10342	1.6
285.11169	15.2
287.12784	34.0
301.14334	1.3
303.13275	1.3
313.08255	1.6
313.11349	0.7
313.14377	11.9
331.09058	1.3
331.17557	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01863	2.1
55.05500	1.8
57.03434	0.8
60.23856	0.7
67.05512	1.8
69.03416	1.2
69.07062	2.2
69.94225	0.9
69.96473	1.3
69.96875	2.6
70.06586	0.8
79.05499	4.1
81.07066	3.3
83.04976	1.3
83.08656	0.8
91.05484	19.6
93.07043	2.1
94.04173	2.0
95.04967	4.5
95.08608	1.9
97.02868	1.1
97.06551	0.8
98.98470	100.0
100.11278	1.3
100.98897	2.5
103.05469	3.2
105.07048	5.6
107.04958	5.6
107.08611	2.1
109.05838	0.9
109.06471	3.7
109.10157	1.7
111.04467	1.6
115.05489	1.5
116.98670	0.8
116.99492	0.8
117.07029	3.0
119.04947	13.6
119.08591	1.8
121.06521	5.8
121.10153	1.1
122.03648	5.7
123.04408	2.0
128.06242	2.9
129.07008	9.5
131.04922	3.3
131.08569	1.8
133.06490	2.0
133.10107	2.3
134.03644	0.7
135.04396	1.4
135.08052	5.1
136.05203	1.8
137.05986	53.4
139.07549	1.1
140.01030	0.9
143.04921	1.0
143.08554	1.6
145.06514	2.8
146.03677	1.7
147.04463	1.7
147.08052	1.1
149.06000	9.7
150.06807	1.0
151.03896	2.8
151.07549	75.5
152.06204	2.6
153.07042	1.3
157.06497	8.6
157.10193	1.0
159.11467	0.8
161.06000	8.2
161.09663	3.0
163.03839	0.8
163.07541	15.2
165.06990	9.2
165.09052	3.8
166.07809	2.9
167.07216	1.1
167.08560	11.8
168.05624	0.9
169.06496	1.4
169.10121	1.2
174.06717	5.0
174.99211	5.6
175.07585	2.8
176.98914	8.9
177.06990	1.3
177.09113	2.4
178.07776	4.4
179.03392	0.9
179.08655	1.0
181.06500	2.2
181.10181	1.1
182.07304	2.6
183.08067	1.2
187.07578	1.2
189.07414	1.4
189.09116	26.4
191.08598	0.7
191.10730	1.0
192.09351	1.6
193.06544	5.5
193.10167	6.5
194.07275	1.9
195.08055	17.7
196.08875	1.2
197.05988	3.9
197.09616	0.9
199.11113	0.8
203.08600	1.4
205.06482	1.1
206.07259	1.9
207.08351	0.8
207.10175	3.9
209.06006	2.6
209.09636	3.0
210.06743	7.1
211.07649	2.3
212.08371	3.7
213.09065	1.1
219.08005	0.8
220.08853	0.9
221.06013	7.5
221.09633	7.4
223.07521	9.0
224.08366	3.0
225.05576	1.5
225.09134	7.1
227.07047	2.1
227.10663	21.4
229.08574	1.0
235.07465	1.2
237.05463	0.9
237.09193	2.1
238.06261	3.0
238.09787	1.7
239.06972	1.4
239.10648	1.6
240.07860	2.9
241.08617	2.0
241.12381	1.3
249.09143	4.4
252.07793	1.8
252.99809	2.1
253.08632	9.7
253.12288	11.9
255.10175	25.6
266.09241	1.3
267.10153	4.2
269.08105	3.6
269.11719	2.0
269.19550	0.9
272.10519	2.8
281.11716	4.2
284.10617	1.2
285.11234	15.6
285.14459	1.4
287.12793	42.4
298.11823	0.8
299.13391	1.1
301.14426	1.8
313.14291	13.8
313.17572	1.4
316.05722	1.1
331.08386	1.4
331.11823	2.5
331.15497	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03938	1.7
55.01853	2.0
55.05495	1.2
57.03418	1.4
57.07069	1.3
57.42518	0.9
59.04990	3.1
65.03930	1.5
67.05502	5.2
69.03426	2.2
70.06573	2.2
71.04984	2.5
71.28553	2.0
72.24325	0.9
79.05486	4.4
81.03409	1.0
81.07064	8.9
83.04994	1.0
84.08126	1.5
85.02905	6.3
91.05486	29.8
93.07057	2.1
94.04184	2.0
95.04974	6.8
95.08619	2.5
98.98469	73.3
99.04448	2.6
100.98871	1.9
103.05462	4.2
105.07041	5.2
107.04969	8.0
107.08590	3.6
109.06532	7.1
109.10165	4.9
111.04436	2.0
111.08094	11.1
113.05951	1.5
115.05476	2.2
116.99465	1.4
117.06996	2.1
119.04944	17.9
121.06516	7.9
122.03649	8.1
123.04400	1.4
123.08051	4.2
123.11707	12.8
128.06186	5.2
129.06999	18.1
131.04933	6.1
131.08554	3.4
133.06491	3.9
133.10127	2.0
134.03580	1.2
135.04480	1.1
135.08069	6.3
136.05200	3.4
137.05986	86.6
139.07542	1.3
141.07008	1.2
141.12779	1.5
143.04962	1.6
145.06465	4.4
145.07491	1.1
146.03658	1.3
146.07341	1.0
147.04463	1.5
147.08023	1.7
148.05087	1.4
149.06001	14.4
151.04007	5.4
151.07547	100.0
151.11130	4.8
152.06200	2.5
153.06924	2.7
157.06491	14.0
158.07294	1.3
159.08029	1.2
161.05991	17.1
161.09598	5.3
162.06804	1.4
163.07549	22.2
165.07014	12.7
165.09111	5.3
166.07785	3.3
166.29742	0.9
167.07085	1.8
167.08557	17.8
169.06435	1.3
169.12242	29.8
174.06778	7.4
174.99231	4.1
175.07559	5.3
176.98904	7.9
177.06990	2.1
177.09084	1.3
178.07799	8.1
179.08540	2.5
179.10678	1.3
181.06491	3.7
182.07283	4.3
183.08093	1.3
187.07558	1.6
189.09117	36.0
191.08607	2.2
192.09386	1.5
193.06505	8.5
193.08493	1.4
193.10152	8.8
194.07300	2.6
195.08058	25.0
196.08855	2.7
197.05965	6.3
197.09663	2.2
197.11678	1.7
202.07790	2.1
203.08611	2.7
205.06522	1.4
206.07286	3.3
207.08211	2.1
207.10165	7.1
209.05934	3.1
209.09633	3.7
210.06711	9.6
211.07521	3.9
212.08356	5.0
219.08046	1.6
221.06061	8.5
221.09573	13.3
223.07545	12.4
224.08324	3.7
225.05478	2.2
225.09108	12.1
227.07025	3.5
227.10669	30.6
235.07639	1.3
237.05429	1.8
237.09259	3.7
238.06239	6.5
238.09749	1.7
239.06935	2.3
239.10692	1.6
240.07813	3.5
241.08463	2.7
241.12196	1.3
249.09111	7.6
251.07048	1.3
252.07796	2.0
252.99799	2.5
253.08595	14.8
253.12241	17.0
254.09221	1.3
255.06651	2.1
255.10191	30.5
259.13239	1.1
266.09317	1.4
267.10156	7.2
269.08099	6.2
269.11673	2.7
270.08871	2.2
272.10434	3.5
281.11682	9.3
285.11240	26.1
287.12778	56.7
299.13513	3.9
301.14420	1.5
313.08408	2.2
313.14334	20.5
316.05746	2.0
331.08405	2.1
331.11703	2.7
331.15277	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
65.03961	1.4
67.05499	3.4
69.97740	1.2
70.05859	4.5
79.05492	4.0
81.03418	12.8
81.07037	3.5
83.05000	1.7
85.02895	1.8
86.09692	2.0
91.05486	23.8
93.07035	1.7
94.04186	2.9
95.04948	5.8
95.08611	1.7
98.20753	1.3
98.98472	100.0
102.00636	1.3
103.05486	2.8
105.07040	4.7
107.04974	5.9
107.08590	1.9
109.06512	3.5
109.10159	3.2
111.08076	1.3
116.73740	1.2
116.99506	1.5
117.07075	1.6
119.04958	14.5
119.08543	1.4
121.06525	5.8
122.03660	5.1
123.04437	2.0
123.11703	3.2
128.06236	3.2
129.07016	10.0
131.04929	4.6
133.06561	1.6
135.08090	5.3
136.05278	2.9
137.05983	66.6
143.04846	1.3
145.06511	2.6
147.04443	1.9
147.08127	1.4
147.09186	5.4
149.05986	8.7
151.03957	11.9
151.05011	2.4
151.07552	69.6
152.06215	3.4
153.06989	1.7
157.06479	8.7
161.05991	9.2
161.09570	2.9
162.06834	1.1
163.03812	1.5
163.07565	15.5
165.07036	8.8
165.09059	2.1
166.07753	2.1
167.08586	10.1
169.12285	4.5
174.06779	4.4
174.99240	4.4
175.03958	3.1
175.07442	2.6
175.08682	3.7
176.98952	10.0
177.07004	1.9
177.09102	1.5
178.07816	4.6
179.07051	5.0
179.08530	1.9
181.06503	3.2
182.07237	2.6
183.08095	1.9
189.09129	25.5
191.08328	1.4
192.09381	1.5
193.06491	4.8
193.10109	5.6
194.07259	1.5
195.08051	18.4
196.05067	1.5
196.08810	1.4
197.06012	5.2
203.08510	1.5
207.06509	8.5
207.08369	1.8
207.10225	5.1
209.09645	2.8
210.06798	6.6
211.07538	4.0
212.08315	3.0
219.08081	1.6
221.06067	7.1
221.09579	9.2
223.07536	9.1
224.08398	2.1
225.05528	2.1
225.09047	8.9
227.06963	1.4
227.10663	16.6
237.08995	2.6
238.06241	5.5
238.09840	1.5
239.07062	2.2
240.07890	2.3
241.08739	3.0
243.11241	4.0
247.09615	1.9
249.09084	4.6
250.38535	1.2
252.07765	2.3
252.99637	1.4
253.08583	11.6
253.12158	11.4
253.14214	1.3
255.06586	2.1
255.10150	24.0
267.10156	4.5
269.08096	3.3
269.11432	1.8
271.10675	2.8
272.10452	3.2
281.11795	5.2
285.11185	14.1
287.12790	44.1
298.12207	1.3
303.13156	2.1
313.14490	15.2
331.04575	1.7
331.12457	9.1
331.16016	4.5
337.63745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01881	4.0
55.05516	16.5
57.03445	5.4
57.07059	1.1
59.05001	1.7
61.02918	1.3
65.03938	1.1
67.05510	5.6
68.99795	3.1
69.03432	21.0
69.07071	4.9
69.92582	3.8
70.06578	1.7
71.04995	9.7
71.08636	0.8
73.02897	0.8
79.05489	5.3
81.03420	14.9
81.07053	10.0
82.04205	1.5
83.04987	7.9
83.08619	8.9
84.08131	1.2
85.02437	1.0
85.02913	13.0
85.06535	1.1
86.09706	1.0
87.00822	3.4
87.04459	0.9
91.05482	14.3
93.07049	7.7
95.04960	6.1
95.08612	8.3
97.02907	8.5
97.06522	3.0
98.09734	0.7
98.98470	100.0
99.04461	4.9
99.08095	1.5
100.98879	2.8
103.05460	1.6
105.01852	0.9
105.07025	6.0
107.04951	3.2
107.08603	3.5
108.05785	1.0
109.02871	7.1
109.06542	5.4
109.10150	3.0
111.04440	3.5
111.08081	13.2
113.05996	0.9
113.09646	4.9
115.03957	2.5
115.05453	1.1
116.99494	1.2
117.07021	2.0
119.04944	7.0
119.08583	3.6
120.08118	1.7
121.06531	5.4
121.10152	2.8
122.03645	2.0
123.04461	1.0
123.08102	4.8
123.11716	1.8
125.05993	1.9
125.09647	1.3
127.03916	16.3
127.07556	1.3
128.06177	1.2
129.06992	5.5
131.04930	2.1
131.08592	1.7
133.06496	2.3
133.10129	0.8
135.08078	8.8
136.05191	1.4
137.05981	27.6
137.09616	1.9
139.07549	9.2
139.11208	0.9
140.01030	0.8
141.09114	9.4
145.06461	2.0
145.10124	2.1
147.08025	1.8
147.11684	1.3
149.06001	5.7
149.09615	1.4
150.06656	0.9
151.03877	2.6
151.07549	37.1
151.11229	1.5
153.09131	2.3
155.10640	1.6
157.06502	4.4
159.02843	1.0
161.05959	5.6
161.09581	2.3
163.07547	6.3
163.11194	1.4
163.45615	0.7
165.07008	4.3
165.09135	3.3
166.07750	1.0
167.07297	0.9
167.08533	4.9
167.10680	2.1
169.07570	1.1
169.12270	4.6
173.09587	1.2
174.06776	1.7
174.99257	6.4
175.07500	1.2
175.11142	0.9
176.98926	11.1
177.09081	1.0
178.07787	1.9
179.10687	2.0
181.05028	1.7
181.06511	2.7
181.12274	1.2
182.07265	1.2
189.09100	10.6
191.10683	4.1
192.09344	1.3
193.06398	1.5
193.10153	2.4
194.07253	1.3
195.05531	1.3
195.08022	8.0
197.05910	1.9
197.09688	1.1
199.07536	1.1
206.07428	0.8
207.10155	2.4
209.05939	0.9
209.09697	1.8
209.11722	11.3
210.06807	3.3
211.07391	1.3
212.08282	2.1
217.04945	2.6
221.05978	2.5
221.09639	3.4
223.07549	3.2
225.06960	0.7
225.09019	3.9
227.06860	0.9
227.10666	8.7
227.12837	1.9
231.05034	1.9
238.06203	2.1
239.08307	0.9
240.07744	1.6
245.04434	5.4
249.09105	2.4
251.07016	0.8
252.07713	0.9
252.99644	1.6
253.08487	5.4
253.12123	4.8
254.99443	1.2
255.06459	1.1
255.07697	1.0
255.10161	8.3
267.07596	1.3
267.10275	2.2
269.08203	1.3
271.07172	2.8
271.13467	0.9
273.04010	7.0
281.11856	2.3
285.08447	2.0
285.11252	7.6
287.05289	0.8
287.12769	18.5
295.11816	11.0
299.10114	2.6
299.13858	3.4
301.03458	13.4
313.08200	8.5
313.14484	4.9
315.04855	1.4
316.05786	15.7
331.08191	35.8
331.12045	3.1
331.15576	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06067	0.9
54.43130	0.9
55.01881	2.4
55.05513	28.7
57.07077	1.1
58.89840	0.8
59.05015	1.6
62.15010	1.1
65.31397	0.9
67.05504	12.0
69.03425	3.7
69.07066	5.4
71.08626	2.6
79.05496	6.7
81.07047	8.6
83.04986	1.8
83.08631	16.3
87.04460	1.8
91.05489	3.1
93.07028	5.8
95.04960	1.6
95.08611	3.5
97.10171	37.3
98.98472	100.0
99.08082	2.1
100.98903	1.3
105.07005	2.5
107.08585	12.5
109.10153	3.9
111.08085	1.7
117.07011	1.3
119.08584	2.3
121.10182	2.0
125.09637	32.2
126.12814	2.4
127.41308	1.0
133.10136	1.6
135.08069	3.0
135.11671	1.8
143.10698	1.9
147.11700	1.4
151.11203	3.5
153.09120	2.5
161.13271	1.3
171.10156	6.0
174.99168	5.5
175.99554	2.6
176.98924	7.3
189.11229	57.9
241.19675	1.3
251.94043	1.1
252.99883	1.3
259.20676	1.9
277.21631	28.6
293.49210	1.1
294.74170	1.2
295.22665	7.9
323.99765	1.1
330.21213	2.0
330.29944	2.5
330.33701	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	330.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05512	7.6
56.05038	0.7
57.05817	0.7
58.38816	0.4
60.04509	0.7
62.06083	0.8
67.05521	0.5
69.03419	1.5
69.07067	4.1
70.06589	5.7
71.51849	0.7
72.08158	100.0
79.05502	1.1
81.03430	0.5
81.07076	0.8
84.04517	1.5
84.08153	1.5
86.06070	3.7
86.09711	17.4
88.04015	0.9
91.05476	0.8
97.06522	0.8
98.09718	1.2
98.98472	35.3
100.07647	0.7
100.98895	0.7
101.02415	0.9
105.07062	1.4
105.24768	0.4
109.06523	1.9
111.08084	0.9
116.07127	0.6
116.10747	1.7
116.99554	0.7
119.08569	0.6
120.08130	0.5
121.10132	1.2
122.02760	1.6
125.09641	0.4
132.10222	1.4
133.06532	1.2
134.09685	0.5
137.06012	1.3
154.14653	0.4
167.10704	0.5
168.06583	1.3
170.11754	1.1
171.14934	34.2
172.81303	0.5
174.99287	1.9
175.99533	0.5
176.98962	2.0
185.16524	5.7
187.92990	0.6
191.14362	1.8
192.10283	1.6
195.44249	0.4
198.11284	7.8
199.14424	23.6
209.15454	1.9
213.15967	3.1
216.12314	12.3
231.17068	4.6
312.18170	1.6
330.19690	0.9
330.29184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81992	1.4
55.05505	3.5
56.05018	1.8
57.07075	3.1
58.79183	1.2
58.99586	4.4
67.05516	3.7
69.03434	55.7
69.07079	14.9
70.02956	1.8
70.06600	28.1
71.04996	1.7
71.51513	1.6
72.08154	16.2
75.09091	1.3
75.82874	1.2
76.02245	10.0
79.05481	5.2
79.52379	1.2
81.07056	10.0
83.04974	5.2
83.08593	1.8
84.04510	6.9
84.08159	6.5
85.02909	3.0
85.06544	3.1
86.09713	26.6
86.99025	1.7
91.05479	3.6
93.07053	14.1
95.08614	10.3
97.02900	2.1
97.06528	5.4
98.09686	1.9
98.98473	91.3
105.00101	2.5
105.07041	6.7
106.07378	1.3
107.08599	17.0
109.06522	6.2
109.10143	3.4
111.08084	3.1
111.11620	1.2
119.08594	6.9
121.06516	3.4
121.10154	25.9
122.02734	41.0
123.08063	5.9
123.11698	10.2
125.09631	24.0
127.03918	2.1
129.10219	2.5
130.04973	3.8
131.08582	7.6
133.06508	1.4
133.10115	6.0
133.79713	1.2
135.08067	12.8
135.11662	7.3
137.05960	2.7
140.07072	1.8
144.09283	1.4
145.10139	4.1
147.11673	3.8
149.09637	9.5
149.13234	5.2
151.07513	1.8
151.11166	2.7
153.09129	8.3
157.06822	1.6
158.10910	3.6
161.09583	1.8
162.02222	1.9
163.11163	3.8
163.14822	5.9
165.12827	3.8
167.10689	11.4
168.06558	3.8
171.11639	1.6
171.14981	3.7
173.13281	26.2
174.99226	4.9
175.99599	1.6
176.12056	1.4
176.98923	4.3
179.04756	1.9
181.05037	2.8
181.06688	1.7
185.16536	1.3
189.03336	1.6
191.14320	92.9
197.10036	2.6
198.11293	2.8
199.14420	2.5
209.15378	100.0
216.12260	2.0
229.15486	2.7
241.12596	18.4
250.08699	1.5
256.09662	5.0
312.08636	5.1
330.10049	1.5
330.16580	2.8
331.09976	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2323
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.64453	0.5
53.03949	0.8
55.01862	0.9
55.05511	5.4
57.07064	0.6
65.03915	0.6
67.05502	10.7
69.03423	0.9
69.07074	4.9
69.37344	3.5
71.05000	7.2
74.22247	0.5
79.05066	0.9
79.05495	8.9
81.07057	8.0
83.04980	3.4
83.08620	2.3
85.06552	1.1
91.05482	8.8
93.07047	11.1
95.04975	1.9
95.08618	5.8
97.06536	4.2
97.10163	3.2
98.21604	0.7
98.98470	100.0
100.98925	0.5
105.07050	5.9
107.04952	0.7
107.08599	5.0
109.06528	1.6
109.10163	3.0
111.08092	2.1
112.12808	0.5
116.99516	1.5
117.07019	2.2
119.08591	3.7
121.06506	0.6
121.10140	4.1
123.08065	1.2
123.11687	0.9
125.09632	1.4
129.06996	0.6
129.09135	1.6
131.08566	3.8
133.10130	3.6
135.08093	0.8
135.11691	0.9
137.09544	0.6
139.11195	2.4
140.01031	0.8
143.08578	0.5
145.10158	2.1
147.11717	1.7
149.09628	1.5
157.10101	1.1
159.11720	1.6
161.09576	0.6
161.13329	1.3
163.11203	0.8
169.09871	0.7
171.11717	1.0
173.11787	0.8
173.13304	1.1
174.99239	9.5
175.11237	0.6
176.98912	4.5
185.11761	0.8
189.11218	1.1
194.07927	0.5
197.13503	0.6
199.14842	0.6
203.12749	3.6
209.09686	0.7
223.17065	0.6
225.14917	0.7
250.99799	0.5
252.99796	2.3
257.19016	1.1
275.20102	8.0
275.22870	0.9
293.21017	3.5
311.22324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05516	3.2
57.03427	0.8
60.81059	0.6
65.14209	0.6
67.05512	5.6
69.07078	5.4
71.52161	0.8
71.52602	0.7
79.05496	4.0
81.03423	1.3
81.07058	8.5
83.04983	1.1
83.08623	1.6
85.06570	0.8
91.05490	4.3
93.07040	5.0
95.04967	1.7
95.08620	4.5
97.06530	1.8
97.10162	1.1
98.98472	100.0
99.98939	0.8
105.07030	3.4
107.08602	3.9
109.06538	1.5
109.10173	1.4
111.04396	0.9
111.08079	0.9
116.99516	1.5
117.07036	1.6
119.08593	3.4
121.10155	2.0
123.08054	0.8
125.09614	1.0
129.06967	0.6
131.08585	1.8
133.10156	3.4
135.11714	2.7
137.09631	1.3
140.01051	1.0
145.10156	2.0
147.11676	1.7
149.09648	1.1
149.13251	1.6
159.11691	1.0
163.11230	1.2
169.90559	0.6
171.11661	0.7
174.99242	10.7
175.99577	1.5
176.98917	4.2
177.12897	0.7
181.12195	3.0
195.13843	2.1
199.13145	0.7
209.09628	0.7
251.00002	1.1
251.61473	0.5
252.99779	1.4
275.20081	4.2
293.21173	2.3
328.15680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45717	1.4
53.03944	2.0
55.01875	1.7
55.05516	12.4
57.03442	2.9
65.03963	1.5
67.05511	33.8
69.03439	4.5
69.07074	24.4
70.60052	1.2
71.04980	3.7
79.05498	22.9
81.03434	3.6
81.07061	49.0
83.04990	4.4
83.08635	6.7
85.06545	3.6
91.05489	20.7
93.07048	24.2
95.04971	7.8
95.08611	19.3
97.06541	9.5
97.10169	3.7
98.09705	2.3
98.21535	3.6
98.98474	100.0
105.07037	22.3
107.04948	2.9
107.08608	14.7
109.06508	6.1
109.10202	7.9
109.10825	1.2
111.08088	5.2
117.07015	4.9
119.08585	17.5
121.06528	2.8
121.10149	9.1
123.08046	6.6
123.11696	7.5
125.09634	1.6
129.07018	3.1
131.08595	7.9
133.10153	13.2
135.08083	2.4
135.11696	17.0
137.05978	1.4
137.09622	3.2
145.10155	7.5
146.31128	1.2
147.11703	13.4
149.09634	3.7
149.13281	7.6
151.11104	1.2
151.24139	1.3
157.10109	1.9
159.11711	8.1
161.13263	3.0
163.11234	6.1
165.12721	1.3
171.11783	1.8
171.63184	1.2
173.13251	3.2
174.99255	8.4
175.11049	2.2
176.98999	2.6
177.12839	3.6
181.12238	12.4
193.12337	2.4
195.13881	12.2
207.13892	1.4
217.77921	1.3
239.18060	2.0
247.20634	1.8
257.18906	3.3
275.20096	18.9
293.21146	5.9
328.18765	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01868	2.0
55.05519	9.3
57.07093	2.0
59.09348	1.2
67.05519	7.2
69.07064	5.8
70.00224	1.6
70.06570	1.8
79.05502	6.5
81.07050	7.8
83.04979	4.6
83.08620	7.3
88.07633	3.9
90.54751	1.1
91.05469	4.7
93.07039	8.2
94.04780	1.4
95.04979	20.4
95.08593	3.9
97.06535	2.8
97.10187	4.9
98.98474	100.0
99.04481	1.4
105.07034	5.5
106.08710	1.4
107.04963	2.7
107.08598	9.9
109.10157	2.9
111.04450	5.9
111.08090	1.9
116.99532	2.0
117.07139	1.4
119.08546	4.6
121.06548	2.6
121.10166	4.4
123.08116	1.4
125.09621	5.2
131.08525	1.9
133.10124	3.4
135.08052	2.3
135.11694	2.5
139.11121	1.4
145.10135	5.4
147.08090	2.3
147.11667	1.4
149.09590	10.0
153.12773	1.6
159.11591	1.6
163.11174	8.5
174.99243	10.5
175.99562	2.0
176.99004	3.5
187.11215	1.4
189.11250	5.5
205.12436	1.8
214.99068	1.4
223.13303	23.7
226.90828	1.6
257.18979	4.3
275.20062	23.2
275.22836	2.4
293.21130	33.2
311.22253	7.5
316.47253	1.4
328.32089	24.7
344.02060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01858	1.1
55.05512	10.5
57.03442	2.4
57.83627	1.0
65.03933	1.5
67.05510	24.8
68.65376	0.9
69.07071	18.8
70.84599	1.5
70.84904	1.8
71.04983	2.2
71.51381	1.0
79.05076	1.5
79.05502	18.9
81.02572	1.0
81.03413	3.5
81.06601	2.2
81.07063	36.0
83.04973	3.4
83.08636	6.3
85.06538	3.4
85.81689	1.1
91.05480	13.5
93.07049	17.1
95.04971	5.1
95.08620	14.4
97.06524	5.6
97.10162	1.7
98.09701	2.1
98.20898	1.1
98.98472	100.0
105.07035	13.0
107.04961	2.3
107.08603	11.8
109.06517	4.2
109.10169	7.3
111.08047	1.4
116.99468	2.3
117.07010	4.3
119.08591	10.8
121.06519	1.8
121.10150	7.1
123.08099	5.2
123.11698	3.4
125.09635	1.5
129.07001	1.8
131.08565	5.7
133.10136	11.9
135.11697	13.7
137.09573	2.2
145.10107	4.6
147.11684	9.6
149.09645	2.9
149.13266	5.2
151.11121	2.3
157.10089	1.7
159.11688	4.4
161.13194	2.2
163.11220	3.9
165.12727	2.3
171.11588	1.3
173.13242	1.7
174.99248	9.4
175.99583	1.9
176.98930	4.3
177.12746	2.7
179.04129	1.1
179.14336	1.8
181.12257	10.4
193.12381	1.1
195.13788	7.7
229.19478	1.5
239.17897	1.6
241.50180	1.2
246.00285	1.0
247.20465	1.1
252.99738	1.3
257.19016	1.4
275.20047	16.4
293.21143	3.3
328.19119	2.3
329.21011	1.2
352.56744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01877	8.0
55.05514	48.9
59.05012	2.3
59.40322	1.4
65.03949	1.1
67.05508	22.9
67.05849	0.8
68.95297	1.1
69.03434	5.3
69.07070	40.2
70.49151	2.2
70.49518	2.1
71.04552	1.2
71.04974	2.8
76.56085	1.1
79.05500	28.1
81.03412	1.8
81.07058	23.8
83.04990	4.5
83.08622	34.7
85.06535	1.9
88.09345	1.2
91.05482	17.0
93.07044	13.4
95.04966	2.6
95.08606	12.2
97.06554	5.9
97.10177	66.9
98.05949	1.1
98.98471	99.2
99.08089	8.3
101.09695	1.5
105.07034	17.0
107.04958	2.8
107.08600	76.2
109.06522	3.2
109.10158	5.1
111.08074	2.8
115.07536	1.1
116.99506	2.2
117.07024	4.3
117.14278	1.1
119.08588	9.2
121.06506	2.6
121.10129	5.7
123.08035	1.7
123.11733	1.8
125.09638	65.7
131.08580	4.6
133.06601	1.2
133.10139	10.9
135.08098	6.9
135.11699	4.7
141.07047	1.1
143.10658	3.0
145.10141	9.8
147.11693	8.7
149.09628	12.8
149.50360	1.2
153.09099	4.6
155.50867	1.0
159.11682	5.5
161.09662	1.4
161.13266	5.7
163.11177	4.9
171.10173	8.3
171.11549	1.9
173.11876	1.6
173.13272	2.6
174.99232	10.2
175.11168	1.5
175.99556	2.2
176.98915	3.8
177.12823	1.9
179.14314	5.2
181.12244	3.0
183.11664	1.6
187.11288	1.7
189.11227	86.5
198.14920	1.4
229.19421	1.6
239.17989	4.8
247.20442	2.5
252.99812	2.6
257.19000	10.8
264.19614	1.4
269.77371	1.3
275.20074	100.0
279.19598	11.5
291.42047	1.5
293.21088	15.6
294.46255	1.2
328.15854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.04710	1.5
59.05009	30.9
60.04527	1.5
61.02928	1.2
69.03426	2.7
69.97929	2.2
69.98347	1.8
70.06599	4.9
72.08149	2.6
73.06561	100.0
81.03429	0.9
83.31693	0.8
84.04549	0.7
84.08151	3.4
85.02909	7.8
86.09724	5.9
89.06044	2.3
97.02870	1.7
98.98475	83.2
99.08126	1.0
109.02914	1.7
110.07178	1.5
115.06796	0.7
117.09150	5.6
120.08119	1.2
124.07539	1.2
127.03979	1.0
129.10243	1.5
131.10707	11.5
133.08621	1.1
136.07561	1.1
145.05005	1.2
147.04472	1.0
149.11742	52.4
174.99242	9.1
176.98972	2.5
181.04991	2.7
252.99933	1.4
276.65686	0.8
283.17642	2.3
308.54047	0.8
328.19205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75835	0.5
57.03447	5.4
57.07078	5.4
61.02926	0.7
67.05512	5.0
69.03438	3.0
70.06586	1.2
71.02702	1.3
71.04993	2.1
81.03432	1.0
85.02916	10.0
85.06551	12.6
87.04470	0.7
95.04986	10.6
97.02893	1.8
98.98476	37.8
103.07590	100.0
104.07914	0.8
109.02902	1.1
113.06017	25.0
125.65528	0.6
127.03941	1.8
131.07053	1.1
145.05034	0.9
147.04431	1.4
149.08109	37.7
163.03915	0.7
166.48116	0.6
174.99260	4.1
175.99612	1.1
176.99052	0.6
185.03792	0.7
191.65154	0.5
206.59358	0.5
304.05865	0.6
333.58316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01867	2.5
55.05515	9.7
57.03424	2.0
57.07080	6.0
59.05004	1.0
65.03950	0.8
67.05508	17.9
69.03451	1.2
69.07072	11.1
69.72909	4.0
71.04984	2.5
71.08627	1.5
77.01565	0.8
77.03915	0.7
77.70634	0.6
79.05502	10.9
81.03417	7.1
81.07061	19.8
83.04981	4.6
83.08627	4.8
85.02931	0.9
85.06537	2.1
85.10188	8.6
91.05486	11.7
93.07049	22.1
95.04369	1.3
95.04973	19.7
95.08611	19.7
97.06542	4.3
97.10176	3.8
98.98472	60.1
105.07040	17.8
107.04955	1.6
107.08595	13.3
109.06516	5.4
109.10155	13.3
111.08091	1.6
113.09637	7.7
115.05456	1.1
117.07014	5.7
119.08591	10.4
121.06535	3.3
121.10143	8.0
121.10960	1.1
123.08104	4.3
123.11727	2.8
125.09654	2.4
128.06206	0.7
129.06996	2.3
130.07834	1.3
131.08575	5.4
133.10136	10.1
134.06358	0.7
135.08072	5.4
135.11700	4.5
137.09622	1.4
141.06979	0.8
142.07790	2.1
143.08574	3.0
145.10126	10.6
147.08044	1.8
147.11691	4.5
149.09631	3.2
149.13255	1.5
151.11140	3.5
153.09097	1.1
153.12630	0.8
155.08635	1.0
156.09386	0.9
157.10146	5.4
158.10934	1.3
159.08058	1.2
159.11710	5.2
161.09616	2.2
161.13272	2.7
163.11176	4.5
165.12762	16.1
167.08589	1.3
167.14330	0.8
169.10138	2.5
171.11684	3.3
173.13272	2.1
174.99219	11.2
175.11215	1.5
175.14812	3.3
179.14305	1.7
181.10103	0.8
182.10872	1.1
183.11691	1.7
185.13327	1.7
187.11221	1.4
187.14853	1.9
191.14375	1.5
193.12241	0.7
197.13342	1.1
199.14842	1.3
201.16595	0.7
205.15814	1.9
207.11755	1.3
207.13815	1.6
209.13239	1.6
211.14891	1.2
215.14281	1.1
217.15913	1.1
227.86562	0.7
251.00050	1.7
259.20526	1.6
273.18530	2.3
277.21640	36.3
291.19528	4.5
295.22696	100.0
296.22968	0.9
309.24448	5.9
327.07843	0.8
327.19601	1.3
327.23163	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	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75598	1.6
53.03938	7.5
55.01867	4.2
55.05510	13.8
57.07059	9.4
59.04983	2.7
65.03938	2.9
67.05508	33.2
69.03429	2.9
69.07070	17.2
69.34003	7.4
69.34438	7.8
71.04986	3.6
79.05498	29.2
81.03424	5.1
81.07065	37.4
83.08612	8.1
85.06559	4.2
91.04905	2.9
91.05481	48.1
93.07047	96.5
95.04976	91.3
95.08612	67.2
97.06543	24.5
97.10146	2.0
98.98470	100.0
99.08101	2.4
103.05461	3.8
105.04514	2.8
105.07034	74.5
107.08597	45.4
109.06520	13.5
109.10168	22.3
111.08092	2.2
115.05459	5.6
116.06246	2.5
117.07034	20.8
119.08584	75.5
121.06521	22.3
121.10146	37.2
123.08076	17.2
123.11740	11.5
128.06233	8.0
129.07022	12.5
130.07796	7.5
131.08582	37.8
133.06488	3.5
133.10139	59.1
135.08058	12.5
135.11703	13.5
137.04128	1.9
137.09619	5.8
141.06984	3.6
142.07768	11.7
143.08585	22.7
144.09320	6.3
145.10124	51.3
147.08044	6.4
147.11668	18.2
149.09602	6.3
149.13284	3.8
153.06989	2.5
155.08578	6.9
156.09358	8.8
157.10153	36.2
158.10875	5.4
159.08037	5.6
159.11696	47.1
160.12447	2.7
161.09647	17.1
161.13260	6.2
163.11188	2.0
169.10121	17.4
170.10901	4.6
171.11702	21.0
173.09650	5.0
173.13310	20.8
174.99231	12.6
175.11171	2.5
175.14821	28.1
179.08597	3.9
180.09238	2.9
181.10156	3.8
182.10944	3.9
183.11729	10.2
184.12456	3.3
185.13313	12.1
187.11166	8.5
187.14828	18.3
189.16380	3.4
193.10153	4.2
195.11620	6.7
196.12526	3.9
197.13226	12.4
199.14825	13.7
201.16336	5.9
203.14413	2.7
206.11060	2.4
207.11702	4.1
209.13344	11.7
211.14745	9.0
213.16382	5.7
215.14349	4.3
217.15875	6.0
221.13206	2.8
223.14893	4.3
225.16299	5.2
227.14226	3.4
229.15866	5.6
235.14850	4.9
237.16537	3.1
239.14336	2.4
239.17958	4.4
243.17374	1.9
253.15900	5.3
253.19409	2.3
265.19571	3.6
271.20416	2.4
291.21216	3.4
296.49338	2.1
303.83783	2.1
309.22189	12.2
327.07794	2.4
327.23120	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.0
53.03940	5.4
54.36767	1.7
55.01857	3.4
55.05515	14.8
57.03444	2.9
57.07073	6.8
65.03931	2.9
67.05507	33.6
69.03416	2.9
69.07068	17.4
70.69296	4.3
70.69639	1.9
71.04330	1.8
71.05001	3.6
77.03931	2.9
79.05495	29.4
81.03411	4.0
81.07062	33.9
81.31773	1.7
83.04975	4.8
83.08607	6.8
83.65447	1.6
85.06512	3.5
90.17289	1.5
91.04897	2.9
91.05480	49.5
93.07048	100.0
95.04973	86.9
95.08611	67.3
95.09113	1.1
95.09241	1.7
95.90779	1.7
97.06542	21.4
98.98470	44.2
99.08155	1.8
103.05476	2.5
105.04528	2.5
105.07035	71.6
107.04965	3.2
107.08598	46.4
109.06525	17.4
109.10160	22.3
115.05434	6.1
117.07018	22.5
119.08585	77.2
121.06509	17.5
121.10149	39.6
123.08078	19.2
123.11694	9.5
128.06224	5.8
129.07007	6.8
130.07770	7.2
131.08566	36.5
133.06503	4.3
133.10138	51.3
135.08026	11.2
135.11694	13.4
137.09613	7.8
141.07045	3.4
142.07784	13.0
143.08575	19.7
144.09323	6.3
145.06464	2.3
145.10138	45.2
147.08031	3.9
147.11691	18.8
149.09610	6.7
149.13245	6.1
151.14737	1.8
153.06992	2.4
154.07790	3.2
155.08557	7.8
156.09381	8.8
157.10147	41.1
158.10912	4.2
159.08099	5.4
159.11697	51.2
161.09645	18.6
161.13264	5.1
163.11200	4.3
163.14854	2.2
165.06975	2.4
167.08600	4.2
168.09331	3.6
169.10146	17.0
170.10857	4.0
171.11682	18.6
173.09589	4.3
173.13251	20.4
174.99234	7.1
175.11205	5.5
175.14818	28.0
177.12737	1.9
179.08575	2.8
180.09282	2.1
181.10124	6.6
182.10924	4.5
183.11749	11.6
184.12460	3.0
185.09628	2.6
185.13263	12.6
186.14066	1.9
187.11140	9.1
187.14807	15.7
189.12660	2.8
189.16386	3.1
193.10057	3.9
194.10889	4.8
195.11624	8.1
196.12518	3.0
197.13275	13.4
199.14771	11.2
200.15331	2.2
201.12747	3.8
201.16374	4.8
203.14296	2.1
205.15895	3.0
206.10956	3.1
207.11638	5.2
208.12431	2.0
209.13252	10.7
211.14827	10.4
213.16396	6.0
215.14345	6.5
217.15921	7.6
220.12637	1.8
221.13292	3.1
223.14841	5.3
225.16415	6.8
227.09172	1.5
227.14293	4.1
235.14888	4.7
236.32722	2.1
239.14311	2.0
239.18036	3.9
249.16412	1.8
251.17870	2.0
253.15871	5.1
253.19493	3.5
265.19373	2.0
271.20535	2.9
281.22668	1.8
283.20355	2.3
291.21014	3.5
307.12802	2.0
309.22156	7.9
327.07953	2.3
327.23221	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	327.2319
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.03938	2.0
55.01860	4.5
55.05515	11.7
57.03421	4.1
63.66304	1.2
64.26417	1.3
67.05513	15.6
69.03417	4.5
69.07069	10.3
70.01331	6.2
71.04998	14.9
79.05495	12.7
81.03411	2.2
81.07071	12.5
82.83988	1.3
83.04959	3.3
83.08617	2.4
89.05999	1.8
91.05492	20.7
93.07049	41.2
95.04972	29.9
95.08612	45.9
97.06540	4.2
98.98473	100.0
105.04558	1.3
105.07036	44.6
107.04914	1.3
107.08604	33.4
109.06533	8.0
109.10159	3.1
115.05463	3.5
116.06281	1.9
116.99490	1.4
117.07015	18.3
119.08582	16.2
121.06489	8.8
121.10138	11.4
123.08093	9.5
123.11707	3.3
128.06192	1.8
129.06927	2.7
130.07794	8.5
131.08575	4.0
133.06621	1.3
133.10127	7.5
135.08063	29.9
135.11711	13.7
137.09627	2.3
143.08582	3.7
145.10133	49.8
147.08133	1.6
147.11670	4.9
149.09625	4.7
153.32146	1.4
155.08517	2.0
157.10149	6.1
159.08200	2.0
159.11751	3.1
161.09642	2.6
163.11186	38.1
163.14923	1.5
165.12776	5.5
171.11717	2.1
173.09644	1.9
173.13251	2.7
174.99225	13.0
175.11234	2.0
175.14912	1.9
175.24417	1.3
187.11198	3.3
187.14931	2.0
191.14310	13.8
193.15894	6.6
195.11665	1.8
199.14752	1.3
201.12717	1.6
205.15883	26.0
211.14888	1.5
213.12738	1.7
213.16489	2.1
217.15862	5.1
225.16403	1.4
247.16945	5.3
251.00027	3.4
270.19858	4.0
309.21997	2.0
327.23184	77.6
328.23544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03917	1.2
55.01862	3.8
55.05270	1.3
55.05515	19.1
57.03439	1.8
58.72054	0.8
59.04967	1.2
67.05509	10.0
69.03416	3.4
69.07069	7.5
71.04993	1.7
72.57728	0.9
76.26535	0.9
79.05504	13.2
81.03435	5.0
81.06596	1.7
81.07066	27.2
83.05006	4.8
83.08623	10.6
91.05503	4.6
93.07054	7.9
95.04964	4.0
95.08615	7.2
97.06530	3.3
97.10178	18.9
98.56485	1.0
98.98475	100.0
99.08088	2.8
105.07047	5.7
107.05024	0.9
107.08605	9.3
108.60573	0.9
109.06493	1.9
109.10181	4.6
111.04437	3.8
111.08086	2.8
116.99534	1.0
117.06999	3.1
117.65182	0.9
119.08569	5.7
121.06560	1.7
121.10158	3.5
123.08074	12.6
125.09636	18.4
129.07025	1.2
131.08548	3.9
131.85242	1.1
133.10114	2.1
135.08020	2.5
135.11690	3.5
137.09607	2.3
137.16347	1.2
139.11249	1.1
145.10150	3.1
147.11644	2.3
149.09671	2.2
149.13182	0.9
153.09106	2.6
153.12825	1.6
157.10133	1.2
163.11185	6.5
165.09076	3.7
171.10210	4.4
173.09592	1.2
174.99246	15.5
175.11143	2.0
181.12207	3.3
182.13525	1.0
189.11218	19.3
191.10664	2.8
193.12239	4.2
211.13187	2.2
223.13271	2.2
227.12784	2.5
227.18007	1.1
229.56763	1.6
245.18829	0.9
251.00056	2.0
273.18494	10.0
291.19568	41.6
309.20660	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	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01870	5.0
55.05513	33.6
57.03439	2.8
61.67262	1.4
65.03947	1.5
67.05507	20.6
69.03423	4.9
69.07069	13.3
69.76305	7.7
75.22795	1.9
79.05499	21.0
81.03419	8.2
81.06591	2.5
81.07062	41.2
83.04994	9.0
83.08620	19.2
85.06532	1.7
91.05489	7.5
93.07053	11.0
95.04966	6.3
95.08625	10.9
97.06556	3.1
97.10176	35.7
98.98475	100.0
99.08094	4.5
105.07043	9.8
107.04948	2.7
107.08595	13.4
109.06522	3.8
109.10168	6.1
111.04479	8.7
111.08070	4.0
117.07024	4.8
119.08568	7.4
121.06510	2.0
121.10154	6.0
123.08082	15.1
125.09646	32.2
131.08588	4.1
133.10115	3.7
135.08076	4.6
135.11699	3.0
137.09599	5.0
139.11192	4.7
145.10107	5.8
147.08063	3.8
147.11722	3.8
149.09633	1.8
153.09140	3.8
153.12819	2.8
157.10117	3.2
163.11188	10.9
165.09102	4.5
168.72963	1.6
171.10188	7.2
174.99231	17.2
175.11194	2.5
180.53105	1.6
181.12273	3.3
189.11230	39.1
191.10605	3.6
193.12251	8.0
211.13342	4.9
223.13400	2.6
227.12825	3.1
247.20552	1.9
263.20190	1.8
273.18521	14.0
291.19565	62.9
309.20621	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	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03941	0.9
55.01865	1.2
55.05511	12.0
56.96564	0.4
57.03433	1.3
57.07083	3.5
59.04997	1.3
60.05653	0.4
61.02922	0.8
67.05505	7.7
69.03429	2.4
69.07069	100.0
70.06594	2.1
70.07393	0.4
71.04999	1.5
71.08636	0.8
71.52431	0.4
72.08146	0.4
73.02910	1.5
73.06561	0.7
78.37441	0.4
78.46280	0.4
79.05491	4.5
81.03418	1.1
81.07056	19.3
83.04988	1.8
83.08614	4.4
84.08145	2.3
85.02914	1.2
85.06545	3.5
88.61891	0.4
91.05473	3.8
92.05834	0.4
92.85031	0.4
93.07047	9.7
95.04977	1.9
95.08608	17.9
97.06542	4.7
97.10168	3.6
98.42409	0.4
98.65528	0.4
98.97601	0.8
99.08083	3.2
101.06028	1.5
105.03401	0.4
105.07033	4.4
105.56686	0.4
107.04964	1.0
107.08589	6.2
107.09293	0.4
109.02842	0.6
109.06561	1.3
109.10156	8.1
111.04463	0.6
111.08050	1.9
111.11723	26.4
112.08722	0.4
113.09722	0.6
118.93423	0.4
119.08574	4.6
121.06503	1.6
121.10144	7.8
123.04411	0.5
123.08112	1.6
123.11713	5.4
125.06004	0.4
125.09650	1.6
125.13272	0.5
127.03935	0.6
127.11233	1.2
129.10275	0.5
129.12772	2.4
131.00172	0.9
131.08601	1.2
133.10143	2.6
135.08142	0.5
135.11688	5.1
136.07576	1.0
137.05956	0.4
137.09685	0.6
137.13268	1.9
139.07553	0.4
139.11182	24.2
145.02846	0.4
145.10153	1.7
147.11707	1.4
149.01234	0.9
149.09634	1.3
149.13254	3.2
151.07608	0.4
151.11235	0.8
151.14799	2.6
153.12785	1.5
155.08591	0.5
157.12242	5.3
159.11685	3.3
161.13251	3.1
163.03896	1.2
163.11214	0.8
163.14851	2.0
165.12749	2.4
167.14360	1.0
172.07515	0.4
173.09642	0.4
173.13310	1.4
175.07852	0.4
175.14828	0.7
177.09157	0.4
177.12785	0.7
177.16441	0.5
179.14365	1.3
185.15359	0.4
187.14867	1.2
189.11234	0.6
189.16417	1.0
191.18024	0.4
192.72166	0.4
219.13924	0.4
233.15396	0.9
244.09627	3.2
244.59975	0.6
263.06891	0.4
263.23584	2.0
271.24341	0.5
275.20102	1.2
277.25159	0.4
284.06958	0.4
289.18121	1.2
289.25208	3.6
293.21176	0.9
295.26315	4.7
307.09515	0.5
307.15372	0.4
307.19012	0.9
307.26300	19.2
313.67578	0.5
325.12149	3.0
325.16351	1.9
325.20203	0.7
325.27356	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.22532	0.4
53.03941	1.1
55.01852	0.8
55.05512	12.0
57.03439	1.0
57.07077	2.6
59.04998	1.7
61.21213	0.4
67.05511	6.5
69.03436	1.4
69.07069	100.0
69.15952	2.8
69.16360	1.4
70.06611	0.7
71.04993	1.3
71.08633	1.5
73.02926	0.9
79.05481	3.7
81.03430	1.1
81.07056	16.1
83.05015	0.7
83.08619	4.2
84.08141	1.5
84.93361	0.4
85.06541	2.0
88.63851	0.4
90.49038	0.4
91.05491	2.0
93.07040	6.5
95.04990	1.2
95.08611	15.8
97.06528	5.5
97.10188	2.5
97.76655	0.4
98.20727	1.0
99.04408	0.5
99.08079	2.3
101.06020	1.3
105.07047	3.9
107.04958	0.5
107.08604	6.0
109.06534	0.8
109.10155	7.7
111.08109	1.7
111.11721	27.8
119.08582	5.2
120.66873	0.4
121.06529	1.1
121.10141	8.0
123.08104	1.8
123.11679	2.7
125.09622	1.0
127.07648	0.5
127.11200	0.6
128.10736	0.7
129.12755	2.6
131.08607	1.1
133.10161	1.7
135.08105	0.7
135.11708	4.4
136.07558	0.5
136.45358	0.5
137.09645	0.8
137.13280	0.8
139.11179	25.9
143.90373	0.5
145.10168	2.0
147.11716	1.9
149.13269	3.3
151.07539	1.5
151.11215	0.8
151.14839	2.8
157.10219	0.5
157.12245	6.4
159.10510	0.4
159.11679	2.6
161.09596	0.7
161.13234	2.6
163.03940	1.4
163.11147	0.6
163.14862	1.3
165.12836	1.5
167.14272	0.5
169.10249	0.5
170.15446	1.2
173.13364	1.1
175.14865	0.7
177.16400	0.7
179.14348	0.9
187.14952	1.1
189.16458	0.9
198.14961	1.9
201.16364	0.5
210.14948	1.3
238.14478	1.0
263.23724	2.3
289.18030	1.2
289.25171	2.9
295.26315	4.9
307.19064	1.1
307.26306	16.2
325.11575	1.3
325.20490	1.7
325.27621	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	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01870	19.1
55.05510	36.5
55.43210	4.5
57.03448	6.9
57.07073	7.0
59.04993	6.1
67.05511	74.6
69.03421	10.5
69.07076	36.0
71.04979	16.5
72.53574	4.6
72.71709	4.2
79.05505	51.3
81.03416	7.8
81.07067	100.0
83.04964	18.3
83.08639	23.2
85.02878	5.6
85.06532	4.9
91.05493	51.2
93.07045	65.5
95.04977	50.4
95.08619	58.1
97.06554	27.5
97.10178	8.2
98.20808	12.4
105.07038	66.2
107.04955	14.3
107.08619	43.8
109.06549	27.6
109.10159	39.1
111.04433	6.7
111.08106	12.7
117.07005	18.9
119.08596	59.9
121.06506	12.0
121.10155	34.5
123.08083	15.6
123.11671	10.4
125.09640	8.2
127.07462	5.4
129.07013	15.1
130.07732	5.9
131.08577	35.8
133.06509	5.0
133.10143	57.1
135.08063	12.7
135.11702	23.5
137.06085	4.1
137.09618	19.4
137.13318	4.9
139.11137	4.2
142.07771	6.2
143.08560	12.8
145.10124	34.3
147.08044	10.5
147.11705	36.6
149.09653	28.2
149.13240	8.4
151.11197	9.8
155.08565	10.0
157.10126	15.3
159.08067	7.6
159.11742	26.0
161.09642	10.5
161.13287	7.9
163.11212	14.6
165.12737	12.8
169.10133	9.5
171.11667	7.5
173.13266	13.2
175.14856	5.0
177.12778	4.4
183.11697	12.0
185.13226	6.5
187.11090	7.1
189.12801	5.5
195.11703	6.6
197.13315	7.7
203.14372	5.0
215.14432	5.0
223.13145	10.1
223.15059	6.4
229.19740	6.7
229.21883	6.0
239.17905	8.6
250.78809	4.4
257.19019	14.4
263.20087	25.4
275.20071	88.8
275.22781	6.3
289.21634	13.6
293.21133	18.4
295.22556	10.8
307.23096	26.2
325.21497	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	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.54444	1.9
53.03938	5.8
55.01870	14.5
55.05519	17.0
57.03428	5.0
57.07074	4.2
65.03945	2.6
67.05508	48.6
69.03430	2.6
69.03844	1.9
69.07070	32.2
69.35617	13.1
69.36022	4.7
71.04984	6.0
71.08638	2.3
79.05497	37.9
81.03418	5.9
81.07059	100.0
83.04978	10.4
83.08625	19.0
85.06551	3.6
91.05486	29.6
93.07047	32.3
95.04967	19.9
95.08611	33.8
97.06525	23.5
97.10201	4.7
98.20768	3.1
99.08086	9.8
105.07032	35.8
107.04967	11.9
107.08591	18.0
109.06516	33.7
109.10161	20.1
111.04443	2.2
111.08087	5.2
117.07007	8.3
119.08593	27.3
121.06508	6.8
121.10158	20.0
123.08060	14.9
123.11736	5.7
125.05971	3.5
125.09658	7.3
129.07014	7.7
131.08563	19.8
133.06471	2.5
133.10129	23.3
135.08035	7.4
135.11699	9.6
137.09647	3.7
139.07532	2.8
141.06873	3.2
143.08554	4.8
145.10139	20.4
147.11707	22.5
149.09634	11.2
149.13246	8.5
151.11180	6.7
151.94528	2.2
155.08562	3.6
157.10149	8.7
159.11693	13.1
161.09619	3.0
161.13261	5.9
163.11182	14.3
163.14793	2.9
165.12758	8.0
169.10028	3.0
171.11670	4.8
173.09523	2.6
173.13240	6.8
175.11238	6.4
177.12769	7.1
181.12259	3.0
183.11615	3.1
187.14795	2.0
189.12741	2.8
193.12283	5.7
195.13759	2.5
197.13153	4.4
207.13892	4.0
213.16379	2.5
215.14075	2.5
219.13838	2.3
227.14267	2.2
229.19513	2.6
238.36684	2.5
239.17918	5.0
247.20602	6.5
257.19080	11.4
265.21933	2.2
275.20078	72.0
290.22592	2.1
293.21136	16.0
307.22751	17.4
309.22543	2.1
325.21634	17.6
325.25241	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	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
53.90345	2.6
55.01869	14.0
55.05514	38.9
57.03431	7.6
57.07077	3.8
60.54639	2.9
67.05511	56.4
69.03436	9.6
69.07071	30.3
69.79204	17.1
71.04985	5.5
79.05494	41.3
81.03422	13.7
81.07059	78.2
83.04990	13.9
83.08617	20.8
85.02893	3.3
85.06537	7.1
88.75674	3.4
91.05482	52.2
93.07047	48.1
95.04977	38.3
95.08615	56.7
95.09201	6.2
97.06525	19.7
97.10175	12.1
99.08115	6.7
105.07038	60.5
107.04964	10.2
107.08595	43.7
109.06532	13.0
109.10154	34.0
111.04459	6.6
111.08083	9.1
115.05521	3.7
116.62711	2.8
117.07032	20.5
119.04914	3.7
119.08593	54.7
119.09387	5.8
121.06519	11.5
121.10146	29.7
123.08057	18.2
123.11715	10.9
125.09641	14.6
126.92599	2.9
129.05438	3.8
129.07008	6.8
131.08575	24.3
133.06529	7.6
133.10143	43.2
135.08064	13.8
135.11717	15.1
137.09610	9.9
139.07518	5.6
141.07021	5.0
142.07808	4.5
143.08614	14.6
145.06479	4.8
145.10133	32.7
147.08060	6.6
147.11668	22.8
149.09647	19.2
149.13272	8.6
151.11183	11.3
153.09071	4.5
155.08548	8.0
155.10655	3.6
157.10187	14.5
159.08046	5.9
159.11702	27.5
161.09642	7.7
161.13235	5.4
163.11220	17.3
165.09155	3.6
165.12807	3.2
169.10164	15.6
171.11700	12.4
173.09642	7.3
173.13298	10.1
175.11171	5.6
177.12752	8.3
179.08662	4.5
181.10106	7.3
183.11694	13.3
185.13347	5.0
187.11230	9.9
187.14886	9.2
189.12839	6.6
193.10229	4.8
194.10991	3.7
195.11665	8.4
195.13692	2.8
197.13269	7.3
199.11258	3.4
201.12769	4.6
203.12738	5.1
205.15903	4.1
207.11665	4.9
209.13277	7.7
211.14876	6.3
213.16322	6.1
219.11908	4.1
223.13068	5.7
223.14864	9.1
229.19649	4.5
233.13242	4.8
233.15414	5.7
237.16420	6.3
239.17973	11.4
241.14293	8.6
247.20639	5.5
249.18637	3.7
251.14418	5.1
257.18945	19.7
265.21683	5.6
269.15457	5.2
271.17068	4.9
275.20074	100.0
289.17963	20.4
289.21606	12.8
293.21152	18.2
307.19687	6.4
307.23056	6.6
313.67233	3.1
325.21548	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01871	14.8
55.05270	3.4
55.05515	39.5
57.03420	7.3
57.07078	5.2
63.41671	3.5
65.03954	4.0
67.05511	67.8
69.03434	9.7
69.03786	2.8
69.07071	36.4
71.05002	18.9
71.52306	4.1
71.52680	4.3
73.06569	8.7
79.05506	47.7
80.74358	3.1
81.03425	6.9
81.07064	100.0
83.04989	12.6
83.08625	27.1
85.02892	4.6
85.06553	8.6
91.05492	52.0
93.07054	68.8
95.04977	49.3
95.08613	56.9
97.06522	26.2
97.10174	4.6
98.08973	3.4
99.08096	6.7
105.07042	48.3
107.04967	12.8
107.08597	40.4
109.06529	17.7
109.10175	34.6
111.08105	10.1
113.09614	4.2
115.05473	3.8
117.07024	16.0
119.08591	45.2
121.06496	13.6
121.10152	33.9
121.33019	3.5
123.08077	15.4
123.11737	10.8
123.16100	3.1
125.09629	9.6
128.06256	3.5
129.06993	8.6
131.08578	27.8
133.06470	5.0
133.10135	43.7
135.08044	9.2
135.11716	20.6
137.09625	12.2
139.11205	3.2
141.07014	3.8
142.07776	4.2
143.08549	10.0
145.05026	4.1
145.10129	29.3
146.53613	2.9
147.08066	7.0
147.11691	29.7
149.09656	26.5
149.13257	8.8
151.11234	8.4
157.10114	16.2
159.07983	7.7
159.11687	20.6
161.09647	4.9
161.13315	7.2
163.11221	23.1
163.14777	4.1
165.12785	6.8
169.10172	7.5
171.11739	9.1
173.13272	8.1
175.11139	6.3
177.12766	6.2
181.10146	3.5
183.11684	4.5
185.13235	3.7
187.11234	4.2
189.11290	5.8
189.12825	5.4
191.14297	3.8
193.12238	4.4
197.13246	9.0
197.15048	3.1
207.11693	3.2
207.13737	4.0
223.13348	9.5
227.14642	3.1
229.19553	6.4
233.15311	4.9
235.16954	5.5
239.17941	9.8
247.20708	9.3
252.15588	3.1
257.18939	21.5
263.20096	24.0
275.20084	89.6
289.21765	5.9
293.21179	22.1
295.22733	7.1
307.22787	30.9
325.21521	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.6
55.01879	17.8
55.05514	46.2
57.03431	7.7
57.07079	6.5
61.38327	3.0
65.03962	4.8
66.24995	2.8
67.05511	66.2
69.03431	7.9
69.07067	60.3
70.03418	13.5
71.04993	8.2
73.06535	3.5
79.05492	57.5
80.39100	3.1
81.03430	10.1
81.07061	86.9
83.04984	19.4
83.08619	35.9
85.06528	4.4
91.05487	68.2
93.07049	100.0
95.04976	69.9
95.08611	88.7
97.06537	26.5
97.10175	14.5
98.59148	3.4
103.05473	3.7
105.07042	65.0
107.04279	3.0
107.04967	14.0
107.08600	61.6
109.06538	19.4
109.10159	51.2
111.04473	6.5
111.08106	11.8
111.69559	3.2
113.09676	11.2
115.05492	6.0
117.07017	21.4
119.08588	63.7
121.06513	31.1
121.10146	53.6
122.07334	6.0
123.08070	21.5
123.11734	13.7
125.09636	19.8
129.06996	9.6
131.08571	35.5
133.06516	39.5
133.10147	49.9
135.08041	24.7
135.11681	24.5
135.53096	3.4
137.09621	44.0
139.11165	16.3
141.07031	4.4
143.08598	14.8
145.06509	8.6
145.10133	43.6
146.07330	5.5
147.08020	21.0
147.11691	38.1
149.09627	27.8
149.13206	4.6
151.11176	9.0
153.12767	7.0
155.08562	9.3
156.09380	5.6
157.10115	16.2
159.08083	7.5
159.11732	29.2
161.09657	11.4
161.13281	13.1
163.11160	38.6
165.12738	4.8
169.10149	11.9
170.10963	3.8
171.11702	13.1
173.09627	9.2
173.13252	23.2
175.11266	8.6
175.14848	6.0
177.09308	5.0
177.12753	8.3
179.08701	5.3
181.10248	4.6
181.12308	6.1
183.11711	13.3
185.09660	3.9
185.13304	9.3
187.11174	13.4
187.14775	5.3
189.12759	7.8
191.10628	3.6
191.14282	16.6
193.78008	3.3
195.11716	4.9
197.13303	7.9
199.85616	3.4
203.14340	27.6
205.12193	3.8
205.15952	9.9
207.11736	4.4
209.13280	8.4
215.14348	24.3
219.13773	4.7
223.13287	9.7
223.15128	4.8
225.12801	3.6
229.19505	5.9
233.13316	4.8
233.15480	3.9
237.12721	4.4
239.14191	4.1
239.18018	10.5
255.13724	6.4
257.19165	16.8
265.21698	7.4
275.20099	95.0
289.21735	5.4
293.21179	42.5
307.22891	26.3
325.21295	34.0
339.09552	3.5
342.10577	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.49032	2.3
50.60047	3.3
53.27335	2.2
55.01868	12.4
55.05516	50.1
57.03431	7.4
67.05511	33.0
69.03419	5.7
69.07072	16.3
69.17994	11.2
69.18421	15.8
71.04974	4.1
75.14418	2.8
79.05505	36.9
81.03417	6.7
81.07060	35.4
83.04992	23.7
83.08619	40.1
85.02907	7.5
85.06557	5.0
91.05483	18.8
93.07053	32.4
95.04974	80.7
95.08631	16.5
97.06535	6.9
97.10184	23.3
99.04462	6.2
105.07041	19.3
107.04941	9.4
107.07979	3.4
107.08610	36.5
107.56097	2.8
109.06535	6.9
109.10146	11.4
111.04456	37.0
111.08089	9.6
117.07008	9.3
119.08593	17.0
121.06481	5.5
121.10162	20.0
123.08064	5.2
125.09628	33.0
131.08559	16.4
133.10126	12.6
135.08031	11.2
135.11690	14.1
145.10115	25.2
147.08047	3.7
147.11673	8.5
149.09618	40.2
153.09283	3.5
153.12752	12.6
155.08540	3.7
159.11745	6.4
161.13200	3.5
162.66695	2.7
163.11215	42.4
165.12738	3.3
171.10139	7.5
171.11584	4.6
173.09711	3.5
173.11792	3.5
177.12796	4.0
181.12239	13.6
183.11632	3.6
187.01913	2.7
187.11188	4.9
189.11244	26.4
191.10675	11.7
197.13159	3.3
201.44644	2.7
205.12363	6.9
209.11760	4.5
218.89412	3.2
223.13292	75.6
227.12961	5.3
237.14848	4.9
257.19037	11.5
275.20090	94.1
284.33978	3.1
293.17844	5.1
293.21127	100.0
307.22668	10.1
325.23767	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	325.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01873	17.1
55.05519	30.8
57.03432	7.9
57.07061	5.1
63.29240	2.6
67.05512	57.1
69.03429	3.7
69.06732	4.8
69.07074	59.3
69.66727	3.0
71.05006	4.9
71.35829	3.0
75.16634	2.7
78.25894	2.9
79.05499	45.8
81.03403	4.2
81.07057	55.7
83.04990	15.1
83.08624	22.1
91.05485	64.4
93.06486	6.3
93.07050	100.0
95.04975	75.6
95.08616	74.2
97.06542	26.5
97.10168	6.8
98.20766	9.3
103.05492	3.4
105.04493	3.5
105.06390	5.6
105.07036	57.5
107.04951	9.1
107.08601	53.2
109.06508	15.4
109.10160	36.6
111.04453	3.9
111.08064	9.6
113.09644	13.5
114.03221	3.0
115.05457	6.1
117.07034	25.3
117.47482	3.6
119.04929	4.8
119.08595	54.1
121.06522	34.4
121.10160	50.3
122.05169	3.1
122.07291	9.0
123.08082	29.0
123.11704	5.2
125.09595	9.8
128.06230	6.1
129.06993	9.1
130.07788	5.8
131.08603	28.7
133.06500	49.5
133.10149	33.4
135.08084	19.8
135.11699	23.0
137.09624	51.7
139.11220	17.3
141.06963	4.9
142.07782	7.5
143.08582	12.7
144.09354	5.9
145.06480	11.8
145.10136	40.6
147.08057	16.1
147.11703	33.2
149.09639	21.6
151.11183	8.9
153.12798	4.2
155.08548	6.2
156.09392	5.3
157.10136	19.1
159.08054	5.8
159.11678	28.0
161.09648	8.7
161.13260	10.8
163.11229	21.2
163.14798	5.0
168.09384	4.8
169.10138	12.8
171.11694	14.5
173.09613	10.8
173.13228	11.6
175.11186	11.3
175.14891	3.4
179.08553	3.3
181.10132	5.6
183.11688	8.9
185.09636	7.7
185.13272	9.9
187.11169	13.6
187.14845	9.6
189.12779	7.8
191.14296	16.0
193.10214	3.4
194.10789	3.8
195.11668	6.8
196.47867	3.2
197.13297	8.6
199.11145	4.6
199.14877	5.8
200.11922	4.0
201.12723	4.1
203.14316	32.6
204.69189	3.3
205.12093	3.3
205.15891	15.6
207.11713	4.1
209.13319	9.2
211.14899	5.0
212.65169	3.1
213.12788	5.2
215.14340	31.3
223.13261	8.2
223.15112	4.7
225.12877	4.1
229.19254	4.7
237.12761	5.3
239.17992	7.0
247.20480	4.2
251.14375	5.7
255.13849	14.3
257.19009	11.2
269.18982	4.8
273.14822	3.7
275.20044	47.0
281.18973	4.5
293.21249	22.9
307.20334	8.7
307.23257	4.8
325.21484	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60923	3.1
51.63652	3.0
53.03948	5.0
55.01870	11.3
55.05503	14.5
57.07071	5.9
65.09575	2.8
67.05512	31.8
67.87142	2.6
69.07072	62.8
71.04996	3.0
72.71536	3.0
79.05490	40.2
81.03406	6.8
81.07054	39.4
83.04984	7.8
83.08617	6.8
91.05482	48.6
93.06489	6.3
93.07047	100.0
95.04972	68.1
95.08064	5.0
95.08615	64.0
97.06532	22.7
103.05424	6.0
105.04498	5.1
105.07039	64.8
107.04957	4.0
107.08608	49.2
109.06493	14.0
109.10163	42.0
111.08084	7.7
113.09633	13.6
115.05430	4.7
117.07019	21.3
119.04898	4.9
119.08594	51.6
121.06497	33.6
121.10149	53.7
122.07273	11.9
123.08077	22.2
123.11716	5.3
128.06247	4.8
129.06992	9.4
130.07779	4.9
131.08577	30.4
133.06508	56.6
133.10135	23.4
135.08054	20.2
135.11673	10.3
136.65390	3.0
137.09612	57.4
139.11172	21.6
142.07777	12.5
143.08597	22.4
144.09329	6.4
145.06479	14.6
145.10136	42.7
146.07297	3.3
147.08112	17.2
147.11708	37.3
149.09633	14.4
149.13261	6.9
153.07022	3.9
155.08577	10.7
156.09383	8.4
157.06560	4.4
157.10132	31.1
158.10880	4.1
159.07999	9.9
159.11713	22.7
161.09610	12.4
161.13243	11.6
163.11214	17.2
163.14786	5.3
168.09319	3.7
169.10147	12.2
170.10910	4.7
171.01379	5.1
171.08032	3.7
171.11768	15.8
172.12436	4.0
173.09660	9.4
173.13275	11.1
175.11168	12.5
175.14882	3.9
179.08568	7.1
181.10165	8.4
182.10928	4.8
183.11710	9.8
185.09583	6.1
185.13235	10.0
187.11206	20.1
187.14778	13.0
189.12738	8.4
191.14293	18.9
193.10115	3.4
195.11723	11.9
197.13213	13.5
199.11171	6.0
199.14806	3.9
203.14342	43.6
205.15933	18.2
207.11691	4.8
208.12393	4.0
209.13254	15.2
211.14726	8.0
213.12769	5.5
215.14366	36.8
221.13216	3.7
223.14973	5.6
227.14317	5.0
229.15858	7.7
233.13245	6.8
235.14813	4.1
237.12642	5.5
251.14352	6.2
255.13893	18.3
255.16255	2.8
255.17340	2.9
257.19025	4.4
269.15503	5.7
275.20148	5.7
276.74146	3.1
279.21140	3.4
281.19034	7.0
293.21179	6.2
303.17981	4.0
307.20505	13.8
325.21634	76.0
325.25473	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	325.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01861	9.5
55.05519	18.5
57.03424	4.1
57.07078	4.4
59.04998	5.8
59.61718	3.3
60.19604	3.8
64.41585	3.3
65.53220	3.3
67.05515	46.2
69.03434	11.7
69.07059	15.5
70.85126	5.3
71.04990	5.0
79.05497	70.5
81.03413	5.2
81.07063	100.0
83.04984	17.9
83.08611	11.9
85.06532	4.4
91.05488	60.0
93.06487	5.1
93.07048	82.7
95.04375	5.7
95.04976	89.4
95.08613	34.9
97.06520	26.3
98.06882	3.3
99.08128	3.2
103.05448	4.4
105.07043	95.4
107.04946	6.5
107.08604	68.4
109.06530	54.1
109.10170	34.4
111.04443	6.0
111.08071	14.8
115.05439	5.7
116.06219	3.2
117.07037	19.6
119.08588	89.8
121.06512	29.7
121.10145	49.7
122.07265	4.1
122.97605	3.1
123.08066	11.2
123.11700	4.9
125.09640	8.3
128.06212	11.2
129.06990	17.4
130.07837	6.0
131.08592	40.5
133.06506	6.6
133.10152	51.1
135.08072	18.7
135.11690	14.9
137.09605	27.7
141.07013	6.8
142.07831	16.2
143.08575	36.1
144.09354	10.4
145.06464	5.5
145.10121	52.1
147.08049	12.3
147.11684	28.7
149.02344	7.9
149.09601	25.2
149.13249	4.0
151.07416	4.2
151.11166	8.6
153.07010	3.7
155.08543	14.5
156.09360	11.6
157.10143	47.6
158.07300	4.4
158.10837	9.6
159.08073	12.6
159.11714	47.9
161.09607	22.2
161.13286	11.6
163.11142	8.4
165.07021	4.4
167.03471	5.1
167.08577	7.0
169.10130	16.8
170.10938	5.3
171.07904	5.3
171.11723	32.5
173.09578	15.3
173.13240	21.1
175.11200	11.2
175.14874	4.8
177.12662	4.3
179.08542	11.1
180.09348	5.9
181.10068	14.9
182.10924	6.0
183.11703	21.0
185.09621	6.9
185.13228	15.7
187.11192	25.8
187.14815	6.1
189.12747	11.4
191.14444	4.9
192.09274	4.0
193.04948	4.8
193.10115	10.4
194.10936	5.4
195.11703	18.1
197.09811	3.5
197.13260	19.1
198.14113	3.8
199.11182	6.0
201.12746	7.6
203.14322	10.9
207.11734	14.1
208.12502	8.5
209.13326	19.7
211.14700	8.4
213.12762	7.6
213.16449	5.5
215.14352	8.0
218.10956	3.8
221.13197	6.8
223.14850	20.4
227.14240	6.3
233.13264	7.2
236.11923	4.4
237.16399	9.0
239.18121	3.9
241.15833	12.8
247.14651	5.2
247.37643	3.5
249.16507	4.0
251.14281	12.8
255.17438	4.2
257.19000	6.3
263.17935	5.6
267.17554	3.9
269.08295	4.8
269.15259	9.4
275.20135	20.6
279.21109	7.7
293.21075	5.8
297.22318	4.9
307.19897	9.2
307.22641	32.0
325.17996	7.4
325.21649	74.4
325.25946	11.2
336.53967	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.8
53.72407	3.2
55.01864	15.6
55.05514	87.8
57.03441	5.4
57.07055	5.0
59.04985	9.4
65.03934	5.3
67.05177	4.6
67.05508	57.9
69.03429	14.9
69.07072	25.4
70.75807	4.3
70.76141	5.2
71.04978	10.0
73.56887	2.8
75.57319	2.8
79.05081	5.0
79.05497	59.1
79.05926	6.3
81.06590	5.5
81.07060	63.0
83.04973	33.2
83.08154	5.6
83.08622	82.0
85.06527	3.5
91.05482	74.6
93.07046	98.3
95.04977	100.0
95.08603	45.7
97.06525	31.9
97.10162	6.7
99.08108	5.6
103.05462	5.5
105.04544	2.7
105.07039	89.3
107.04946	9.8
107.08597	88.7
109.06516	26.9
109.10165	49.3
111.04491	4.3
111.08081	23.8
115.05434	4.2
116.06356	3.8
117.07018	33.6
119.06042	3.4
119.08582	88.5
120.80053	2.9
121.06523	30.0
121.10147	52.8
122.07314	3.9
123.08052	20.1
123.11670	6.4
124.05158	4.5
125.05943	3.1
125.09638	20.2
128.06233	11.3
129.07010	18.9
130.07797	7.5
131.08577	46.7
132.31627	3.0
133.06487	7.0
133.07442	4.0
133.10135	60.5
135.08073	21.1
135.11707	13.4
137.06000	3.9
137.09622	38.5
139.11201	3.3
141.06967	8.5
142.07780	21.1
143.08543	30.8
144.09334	7.5
145.06488	8.4
145.09064	4.8
145.10135	58.7
147.08052	12.5
147.11696	29.3
149.09622	24.5
149.13269	5.3
151.11145	7.8
153.09116	12.1
153.12691	4.4
154.07809	4.3
155.08517	14.2
156.09334	14.4
157.10139	48.5
158.10880	8.3
159.08066	14.8
159.11685	41.1
161.09668	22.0
161.13234	12.6
163.11183	12.8
165.12723	5.2
167.08565	7.7
167.10710	3.1
168.09355	5.9
169.10139	19.7
170.10889	4.8
171.11681	31.9
173.09619	12.4
173.13315	22.0
175.11180	8.0
175.14784	7.1
177.12747	4.7
179.08549	8.9
181.10147	17.0
181.12273	3.3
182.10954	6.3
183.11639	12.3
184.07431	6.4
185.09694	4.3
185.13228	14.4
187.11234	21.4
187.14740	5.2
189.11214	7.8
189.12700	6.9
191.14273	4.0
193.10107	9.7
194.10867	6.7
195.11720	12.8
197.13252	9.5
197.15343	4.8
199.11212	4.7
201.12781	4.4
203.14299	7.1
205.12294	4.7
207.11682	12.2
208.12415	5.0
209.09818	3.8
209.13277	13.4
213.12767	3.3
213.16447	4.1
215.14401	7.1
221.13161	4.5
223.15015	14.9
227.14322	4.3
229.15930	3.6
239.17914	5.6
241.15851	12.1
251.14293	13.1
263.17761	3.5
269.15353	7.4
275.19995	22.7
293.21057	28.5
307.20416	8.2
325.21381	50.5
342.54987	3.4
344.08640	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.5
53.92007	3.7
55.01876	10.9
55.05517	31.9
57.03437	8.6
57.07072	6.7
65.03938	7.6
67.05507	52.8
69.03418	5.4
69.07066	32.9
69.20593	15.0
69.21017	26.7
71.04987	12.3
73.06572	4.5
79.05495	59.3
80.05817	4.5
81.03416	17.4
81.07059	83.9
83.04972	24.2
83.08624	22.5
85.06535	12.3
91.05474	61.5
93.07040	58.3
95.04973	70.9
95.08614	49.8
97.06535	16.1
97.10178	8.9
103.05450	5.5
105.07034	62.3
107.04975	12.5
107.08587	43.3
109.06522	31.6
109.10151	30.4
111.04464	7.1
111.08079	11.0
113.06010	3.7
115.05482	7.5
117.07005	13.4
119.08584	41.7
121.06523	13.5
121.10169	36.0
123.08067	14.9
124.66744	4.9
125.06054	5.5
125.09650	9.6
128.06244	8.4
129.06985	16.0
131.08571	41.1
133.06525	5.3
133.10129	36.0
135.04370	5.6
135.07999	20.8
135.11665	13.3
137.09631	10.5
139.07582	9.6
139.11174	7.1
141.07014	8.2
142.07787	18.8
143.08588	36.0
145.10135	32.5
147.08043	16.8
147.11702	13.2
149.05951	4.9
149.09589	15.2
151.07584	6.9
151.11061	4.8
153.07079	4.8
153.09097	7.5
153.68428	3.8
154.07770	7.3
155.08553	14.6
156.09369	15.8
157.10126	46.8
158.10986	6.8
159.08023	18.7
159.11681	26.2
161.09630	15.0
163.11185	12.4
165.06955	6.5
166.07835	4.4
167.08556	13.0
168.09265	7.7
168.83548	3.5
169.10120	29.0
170.10927	6.1
171.11711	26.3
173.09663	9.4
173.11845	6.8
173.13138	18.4
177.09126	14.1
179.08565	13.0
179.14293	4.7
180.09361	6.6
181.10156	18.1
182.10930	9.5
183.11638	22.0
185.09607	9.9
185.13234	12.9
187.11157	11.7
187.14886	6.3
191.10626	8.2
191.14328	4.7
192.09323	9.3
193.10130	17.2
193.12195	6.9
194.10883	11.3
195.11682	28.1
197.13225	34.2
199.11140	8.4
199.14815	12.8
205.10127	4.3
205.12314	7.5
206.10947	8.1
207.11708	22.9
207.13524	4.5
208.12476	9.9
209.13232	30.2
210.10425	4.7
211.14848	11.7
213.12735	13.4
218.10991	8.6
219.11708	7.5
220.12468	6.3
221.13295	14.6
222.14162	6.4
223.11212	6.7
223.14851	23.0
224.15475	4.6
225.12872	12.9
225.16396	5.8
227.14365	14.5
229.15839	5.5
231.11661	3.7
233.13342	7.1
233.15425	5.3
234.14136	4.8
236.11989	4.1
237.12703	6.9
237.16463	8.0
238.16962	4.6
239.14406	7.6
239.17969	7.7
241.15955	11.3
243.17451	6.4
251.14348	22.8
257.19043	6.4
261.18445	7.2
263.17923	5.0
265.15909	5.2
269.15573	5.9
271.17007	9.8
275.20038	17.4
279.21088	15.5
289.17865	63.7
293.21121	13.6
297.22015	19.6
307.20596	37.5
325.21606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2163
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03943	6.7
55.01854	4.2
55.05513	14.3
57.03428	3.9
57.07077	5.3
59.05014	3.7
65.03952	2.1
67.05509	20.1
69.07062	15.3
70.23479	7.2
71.04994	2.8
79.05501	29.6
81.03409	4.0
81.07059	36.7
83.04977	7.0
83.08624	8.1
85.06551	7.2
91.05482	31.7
93.07046	44.7
95.04974	53.2
95.08614	19.1
97.06537	24.1
97.10191	3.0
97.34167	1.9
98.77776	2.5
103.05511	3.8
105.07040	57.6
107.05006	4.6
107.08596	23.0
109.06519	19.0
109.10171	9.8
111.04425	3.0
111.08113	3.2
115.05463	4.7
117.07042	12.3
119.07804	3.3
119.08595	38.9
121.06522	8.0
121.10153	22.7
123.08086	6.9
123.11658	2.7
125.09640	4.2
128.06218	11.0
129.07001	14.1
130.07787	4.2
131.08594	21.0
133.06514	4.1
133.10156	23.5
135.08081	7.9
135.11743	4.8
141.07007	7.3
142.06952	2.0
142.07813	20.3
143.08580	31.0
144.09354	4.9
145.06471	3.8
145.09048	3.5
145.10133	36.1
147.08069	9.4
147.11696	9.8
149.09653	6.3
149.13239	2.5
153.06993	3.5
154.07840	4.9
155.08537	19.7
156.09306	11.7
157.10130	40.3
158.10866	5.4
159.08113	8.5
159.11703	16.3
161.09602	12.6
161.13309	2.2
163.11194	2.8
165.07022	7.9
166.07841	4.4
167.08603	14.1
167.10609	2.5
168.09337	9.4
169.10127	25.0
170.10883	3.8
171.11703	14.8
173.09628	3.4
173.12013	2.3
173.13251	13.9
177.12766	3.3
179.08574	15.0
180.09409	5.0
181.10126	21.9
182.10924	11.1
183.08186	2.3
183.11703	34.3
185.09669	19.0
185.13252	10.6
187.11154	3.8
187.14897	4.1
189.12856	3.5
191.08597	5.5
191.14301	3.1
192.09338	6.0
193.10170	16.0
194.10954	8.1
195.11708	19.2
196.12454	4.3
197.09612	2.1
197.13281	22.6
198.14024	2.7
199.11211	7.3
199.14877	5.2
201.12759	4.9
203.08562	2.7
203.14368	2.7
205.10265	5.3
206.10957	9.2
207.11732	20.4
208.12505	8.4
209.13246	22.1
210.10454	2.3
210.14076	3.0
211.11287	3.5
211.14839	13.5
213.12727	5.9
213.16417	2.2
215.14288	3.9
216.15282	2.3
217.10077	4.8
218.10924	8.7
219.11635	6.5
219.13692	2.7
220.12451	3.8
221.09613	4.5
221.13240	10.1
222.10371	2.3
222.13940	4.9
223.11288	3.7
223.14854	25.2
225.12770	12.0
225.16476	2.7
227.14340	8.0
231.11725	4.4
233.13272	14.0
233.15329	4.4
234.14070	4.6
235.14871	5.1
237.12733	5.3
237.16428	12.5
238.17070	2.5
239.14363	3.8
241.15982	9.3
247.14870	7.4
248.15601	2.4
249.16360	7.2
251.14359	19.0
251.18201	2.6
257.19003	2.6
259.14905	2.4
263.17950	7.6
265.15952	5.4
265.19485	4.9
266.16614	3.1
269.15466	12.6
274.17203	2.9
277.15710	2.2
279.21127	10.1
281.19141	3.9
283.20746	2.5
289.19931	4.0
293.20935	3.3
297.22147	10.9
307.20575	41.2
309.42294	1.9
325.21643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.6
55.01877	37.1
55.05515	39.6
57.03437	33.1
65.03951	4.5
65.36327	3.8
67.05512	87.5
69.03431	3.8
69.07067	21.0
69.90079	14.3
71.04991	6.2
77.03934	5.4
79.05496	77.1
81.03409	13.3
81.07059	75.2
83.04988	34.3
83.08623	8.2
85.06553	5.0
87.81072	3.5
91.05486	71.7
93.07050	57.3
95.04974	81.0
95.08610	43.3
97.02908	5.8
97.06541	8.9
97.10169	11.7
98.07323	9.4
104.65755	3.1
105.07033	61.4
107.04962	100.0
107.08617	30.3
108.05760	4.7
109.06526	46.1
109.10165	28.2
110.07366	3.7
111.04456	12.9
111.08081	6.4
112.05251	8.6
113.06027	4.3
115.05431	7.4
117.07036	29.9
119.04960	9.0
119.08584	44.1
121.06494	21.2
121.10146	10.2
122.07291	36.9
123.04433	13.3
123.08075	11.2
123.11699	4.9
125.09622	7.8
128.06232	10.0
129.07030	13.2
131.04921	5.8
131.08607	33.4
133.06538	23.2
133.10124	18.2
135.08090	19.9
135.11702	8.8
137.09642	37.4
141.07024	8.5
142.07776	3.9
143.08572	12.5
145.06499	18.3
145.10165	24.9
147.08047	34.3
147.11702	9.7
149.09654	8.6
151.07582	6.2
155.08580	5.2
157.10110	4.1
159.11708	9.4
161.09628	27.6
161.13242	4.7
163.11201	13.7
165.09114	8.7
169.10187	7.8
171.11745	9.7
172.61017	3.1
172.65717	3.3
173.13248	16.5
173.49130	3.0
175.11234	8.8
179.14384	4.6
187.14867	13.8
189.11218	5.0
189.12703	5.0
197.13248	8.6
198.14136	3.7
203.14407	5.9
205.15894	10.5
215.14371	20.9
233.15370	92.1
251.16386	29.6
261.14856	5.1
261.18564	3.8
273.18466	14.4
290.18710	24.5
291.19522	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.07178	4.0
53.03954	8.5
55.01874	21.6
55.05513	79.3
57.03448	5.9
57.07067	4.4
59.24769	4.3
60.05661	5.3
65.17202	3.9
67.05509	65.7
67.23177	4.1
69.03442	12.7
69.07066	61.1
70.02885	16.4
71.04997	8.2
73.06550	5.3
79.05489	66.1
81.03428	13.9
81.07059	100.0
83.04980	25.0
83.08620	42.5
85.06564	7.1
91.05491	49.1
93.07045	80.8
93.45516	4.5
95.04969	62.8
95.08614	32.8
97.06541	14.8
97.10166	56.9
99.08128	5.1
105.07029	31.1
107.04958	22.1
107.07905	7.0
107.08585	56.0
109.06528	56.5
109.10173	25.2
111.04465	12.4
111.08081	12.1
117.07045	13.7
119.08575	39.0
121.06519	17.3
121.10130	20.9
123.04471	11.0
123.08070	24.4
123.11772	9.3
125.09630	44.5
129.07062	9.3
131.08578	16.6
133.06541	8.9
133.10103	22.8
135.07100	8.5
135.08067	70.9
135.11719	10.4
137.09618	95.9
139.07550	19.5
139.11220	5.1
139.74486	4.7
143.08549	13.6
145.06465	8.1
145.10141	19.8
147.08092	10.9
147.11676	5.6
149.09608	11.5
153.09123	25.6
153.12756	7.9
155.08524	6.5
157.06609	5.1
157.10167	8.6
159.08102	11.9
159.11668	7.4
161.09637	8.2
163.07574	46.5
163.11139	9.2
165.12672	8.5
167.10664	11.0
169.10118	9.5
173.09607	9.8
173.13298	5.2
181.12143	4.2
185.13266	5.0
189.11177	25.2
191.10634	10.7
191.14311	5.3
193.12260	40.4
195.11752	4.9
199.47038	5.0
229.12398	4.6
243.17476	11.0
249.14838	5.7
261.18521	15.2
271.17029	19.3
289.18042	98.1
289.21381	11.2
307.19095	42.1
307.22705	11.5
325.15533	7.4
325.21756	31.0
325.24945	5.0
330.46259	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	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01867	8.3
55.86643	2.3
55.93521	15.1
56.03626	2.3
56.93576	4.1
57.03444	13.5
59.16376	2.2
61.02927	8.6
69.03432	38.0
71.25272	4.0
71.93016	8.9
72.93064	3.2
72.93788	10.5
73.02921	6.7
79.05456	2.9
81.03416	6.9
84.08154	3.6
85.02908	100.0
89.03903	3.3
89.94057	3.8
90.94825	6.5
91.03970	2.8
91.62001	2.2
97.02898	50.6
99.04476	9.4
101.02382	8.1
102.94802	2.6
107.95046	3.1
109.02921	5.0
115.03927	3.9
118.08691	3.2
127.03922	65.7
128.96359	3.2
131.95056	3.2
132.95833	9.1
135.04405	6.6
144.06511	2.4
144.95836	11.2
145.02882	5.3
145.04968	51.5
145.07579	22.8
145.96104	4.6
149.96159	4.6
160.95354	2.7
161.96086	6.1
162.96629	4.4
163.03922	38.3
163.06012	11.4
163.08679	11.0
174.96855	5.6
181.04900	3.0
186.96753	9.4
188.97903	3.8
198.96532	3.4
200.97910	4.1
204.97501	3.1
216.97568	6.7
227.30000	2.5
228.97458	3.0
233.98376	2.9
234.98531	4.7
240.97401	3.6
252.99869	8.2
294.89453	2.3
325.01675	3.0
325.09116	3.8
325.13928	16.8
325.17438	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.2
55.01888	2.4
55.05520	0.9
57.03434	3.5
59.05000	1.2
60.04541	0.8
60.05639	0.9
61.02932	1.2
64.77523	0.5
67.05523	1.6
69.03436	16.7
69.07059	1.1
70.06594	3.9
71.01371	1.1
71.04997	5.7
72.08145	1.5
73.02925	1.7
75.15942	0.6
77.18404	0.5
79.05517	1.1
81.03423	17.5
81.07056	1.5
83.04991	1.1
83.08636	0.6
84.04527	0.7
84.08144	4.4
85.02916	4.6
85.06554	0.7
86.09726	1.3
86.91908	0.5
87.69202	0.5
91.05494	2.1
93.07047	1.5
95.04964	0.6
95.08611	0.9
97.02902	2.1
97.06550	0.5
98.97592	0.9
99.04447	7.9
103.03975	2.3
105.07040	1.2
107.04996	0.6
107.08618	0.7
109.02898	1.0
109.06542	0.6
109.10182	1.6
110.07160	1.0
117.05483	2.7
118.06545	4.0
119.08602	1.2
120.08141	0.8
121.06499	1.0
121.10162	1.6
123.04420	0.7
124.07587	0.7
127.03918	4.0
129.06967	0.7
129.10248	0.9
131.05017	0.5
131.08577	1.1
133.02879	1.0
135.04422	1.0
135.08017	0.8
135.11751	0.8
136.07619	1.0
137.05969	1.2
145.04974	2.5
145.07610	6.3
147.04445	1.1
147.09164	6.6
149.02368	4.0
149.09630	1.7
159.11580	0.7
161.09584	1.1
162.07823	1.0
163.02559	1.2
163.03908	18.3
163.05992	0.9
163.07417	0.7
163.08688	1.0
163.11174	1.5
167.10614	1.0
173.07121	12.5
175.08691	6.4
175.11150	1.4
177.03174	0.6
181.04942	1.1
187.11201	0.6
191.08162	100.0
205.09808	0.6
205.12242	0.7
229.04482	0.6
231.11241	0.7
233.06017	0.6
233.09233	1.5
245.09071	0.6
271.10730	1.1
289.11618	1.8
293.06152	0.9
307.12897	32.8
313.67230	0.9
325.13861	32.9
327.15457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
54.27023	0.7
55.05504	1.3
55.41392	0.6
57.03439	7.4
57.05000	0.6
59.04982	0.7
69.03424	2.8
69.07935	0.7
70.06593	1.3
71.04988	2.3
71.08634	6.2
71.48190	1.0
71.65472	0.7
79.05493	4.4
81.07062	19.4
83.04995	0.7
84.08141	1.1
85.02910	9.2
85.06542	2.9
89.24551	0.6
90.37227	0.6
93.18095	0.6
97.02903	1.7
99.08099	22.1
105.03384	0.7
109.02905	1.0
109.06519	22.2
110.14601	0.6
117.09137	100.0
127.03949	1.2
127.07560	44.2
134.90869	0.6
136.07533	0.6
145.02945	0.7
145.04970	1.3
145.08617	1.4
163.03920	3.6
163.06091	0.6
163.09654	11.2
175.51088	0.6
301.66830	0.7
312.47403	0.6
346.72989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05738	2.8
55.01866	9.8
55.93526	14.3
57.03432	10.3
61.02926	3.7
67.05509	4.1
69.03437	44.5
70.75599	6.4
70.75953	2.4
71.05013	3.1
71.93011	6.0
72.93797	11.1
73.02924	4.8
81.03425	6.1
82.03741	3.8
84.08147	6.8
85.02912	100.0
87.04427	3.6
89.68706	2.5
89.94057	3.5
90.94835	8.9
91.78674	2.7
97.02896	51.6
99.04456	11.7
101.02373	5.9
102.94816	3.0
103.03973	2.8
109.02885	5.7
115.03938	6.2
118.08655	3.1
119.84400	3.1
127.02993	3.8
127.03929	69.1
131.95059	5.2
132.95865	7.1
135.04388	6.5
136.95302	2.8
144.95848	11.9
145.02954	3.6
145.04980	56.5
145.07603	17.0
145.96049	6.4
149.96104	5.1
161.96051	10.5
162.96938	4.4
163.03952	34.1
163.06015	6.9
163.08650	11.2
163.97279	2.8
168.21463	2.9
174.96777	9.2
181.04871	5.2
185.96147	4.4
186.96672	10.9
200.98018	4.2
202.06963	3.1
204.97610	3.9
215.97093	3.6
216.97414	6.8
233.98201	2.7
234.98593	7.5
252.99664	6.7
290.99536	2.7
325.14084	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	325.0922
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03943	1.5
53.90793	0.3
55.01851	0.3
57.03428	0.9
61.02925	0.8
69.03440	7.2
69.65461	1.8
70.06577	0.8
75.26096	0.3
77.03925	0.6
79.05495	1.2
81.03411	0.8
84.08157	0.5
85.02919	2.8
86.09707	0.8
95.04976	0.9
97.02899	1.9
98.21511	0.5
99.04483	0.7
103.05467	0.5
105.03402	0.8
105.04517	0.4
107.04986	0.3
121.02859	0.5
127.03934	4.0
131.04953	0.9
133.02884	6.4
135.04445	4.7
145.02921	0.3
145.04994	0.6
145.06444	0.4
147.04355	0.5
149.02364	23.4
159.04402	1.9
163.03923	100.0
164.04256	0.6
165.82463	0.3
176.03462	1.0
181.04994	3.9
187.04158	0.3
201.05598	0.7
215.03441	2.1
250.00188	0.3
250.06290	0.3
253.08467	0.4
325.10419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05503	1.6
55.18145	0.4
59.92397	0.5
65.42728	0.5
67.05520	3.8
69.07076	9.4
70.34441	0.5
70.69913	0.6
70.70281	1.4
74.02429	0.5
76.24337	0.5
79.05497	2.8
79.85429	0.5
80.29888	0.5
81.07060	7.1
83.04980	3.7
86.09712	100.0
91.05492	7.9
93.07052	11.1
95.04980	2.8
95.08617	2.0
105.07038	13.6
107.04931	0.5
107.08600	2.5
109.06520	8.8
109.10182	1.6
111.08086	3.8
117.07020	0.7
119.08565	3.4
121.10184	1.2
123.11730	0.7
123.78737	0.5
128.10733	4.5
129.07034	0.7
129.24030	0.5
131.08577	4.2
132.10217	29.8
133.06494	1.2
133.10138	17.1
135.08133	0.5
137.09692	0.5
147.11702	12.3
149.09641	1.2
149.13287	0.7
151.07565	3.3
151.11191	43.8
156.10193	1.5
157.10146	0.8
165.12810	1.7
167.14346	0.6
175.11197	3.4
193.12286	3.9
222.14864	1.1
260.20102	7.7
278.21191	29.9
306.20627	7.6
324.21722	22.2
324.25613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93387	15.2
55.05519	21.9
65.05253	17.2
69.03403	18.1
70.06588	51.6
76.89170	15.1
81.07040	27.5
84.04485	29.2
84.08159	28.0
85.02903	22.8
85.06549	31.0
88.03985	19.6
92.01698	16.8
99.08089	100.0
113.05988	23.0
115.07565	24.4
116.07053	23.5
117.09140	30.6
119.04959	16.4
123.04443	16.7
127.07548	58.2
130.05034	42.9
131.07036	30.5
134.06041	29.2
142.08522	15.4
145.08585	51.3
147.04367	24.4
162.05498	66.3
170.06908	16.8
174.04079	20.6
177.03201	24.7
284.78925	15.5
324.10660	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
54.09884	0.4
55.01871	1.1
55.05506	1.8
56.05033	0.5
57.03440	1.1
57.07071	2.2
61.02936	0.8
67.05518	1.0
69.03426	1.9
69.07087	1.0
70.06582	2.1
70.76984	1.2
70.77311	0.6
71.04997	11.1
72.08143	0.8
73.06542	1.6
74.00664	0.6
75.04485	1.1
76.03990	1.0
79.35616	0.5
81.07075	0.9
83.08604	1.2
84.04503	1.4
84.08139	0.7
85.02914	5.2
86.09720	1.5
87.08105	1.7
92.01735	0.7
97.02889	1.8
98.97581	0.8
109.02895	0.7
109.10168	4.5
110.81003	0.5
115.07649	0.6
119.67030	0.5
120.08118	0.9
127.03909	1.2
127.11204	26.4
130.05003	1.9
145.05046	1.3
145.12248	100.0
146.06017	0.9
147.06343	0.7
156.45081	0.5
163.03896	0.8
177.03333	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	324.1074
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01871	0.4
57.03439	0.5
61.02903	0.7
66.03054	0.3
69.03416	1.2
70.06576	0.5
71.50744	0.4
72.08146	0.9
73.02931	0.4
74.00670	0.4
75.03315	0.3
81.03416	0.8
84.04510	0.6
85.02911	3.6
85.04025	0.4
88.03979	0.7
91.03956	0.5
97.02892	1.6
115.08685	0.4
117.03422	0.3
120.08140	1.9
121.08474	0.6
127.03927	1.4
130.05025	0.3
134.06027	0.9
136.07510	0.8
145.02789	0.3
145.04962	0.7
146.05992	0.4
147.04326	0.3
148.11192	0.4
156.03001	0.4
157.07663	0.3
162.05511	100.0
163.03922	3.0
163.05980	0.7
166.08672	0.4
174.03969	1.1
177.03319	0.7
182.08134	0.4
203.08188	0.5
250.05872	0.5
324.06842	0.3
324.10818	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	323.9777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.93531	90.0
56.94310	4.6
58.82177	2.2
63.67606	1.9
68.02657	5.1
69.03439	12.2
69.67708	3.3
69.68105	12.7
69.95078	2.2
70.95848	2.8
71.93011	41.1
72.08154	5.5
72.93791	71.6
73.94582	15.4
74.95354	11.6
81.03426	8.0
81.42754	1.9
82.17134	2.0
84.04507	2.5
85.02914	16.3
86.95333	3.2
89.94060	27.1
90.94833	47.5
97.02894	7.0
100.43703	2.0
102.94804	11.3
105.93533	9.5
107.95090	15.2
108.95876	3.9
109.02843	2.5
113.94068	2.2
113.97621	2.8
114.94823	3.0
115.95571	6.7
116.56429	2.2
117.93501	3.3
118.08716	5.2
118.94305	11.8
120.95881	4.5
123.94567	3.7
125.21604	2.7
125.96101	4.7
126.94850	4.3
127.03922	7.6
128.96373	17.1
130.94266	2.9
130.96753	2.3
131.95062	31.9
132.95859	35.2
133.96584	7.1
134.06012	3.9
136.95329	3.4
141.97139	4.8
142.94257	5.7
143.95070	6.0
144.04221	2.9
144.95836	100.0
145.96602	8.2
146.97400	5.8
149.96140	31.5
150.96906	9.7
151.97668	6.9
155.95062	14.0
156.95821	13.1
157.96634	21.1
158.97430	7.2
159.94518	5.2
159.98230	4.7
160.95364	11.8
161.96129	72.3
162.05470	7.1
162.96893	32.5
163.97708	3.8
167.97372	6.0
168.95834	8.3
169.96635	11.3
170.97461	2.8
171.94566	3.4
172.95279	4.1
173.96127	30.0
174.96890	21.4
175.97691	15.9
177.52811	2.0
177.95641	9.5
178.96330	3.3
179.97162	7.2
181.96640	9.8
182.97435	3.9
183.94521	2.7
185.96109	66.4
186.95396	3.9
186.96916	33.9
187.97716	28.0
189.95589	6.8
190.96402	3.4
191.97191	13.7
192.97870	2.7
197.96098	16.8
198.96861	4.2
199.97685	30.8
200.98601	2.5
201.95612	9.1
203.97157	29.9
204.97963	8.4
210.97014	2.2
211.97670	8.5
215.95087	4.1
215.97188	82.5
217.98723	8.8
219.96648	4.5
221.94598	5.3
227.93640	4.3
227.97176	28.6
229.98820	4.8
231.96667	4.9
233.98227	50.1
235.99776	3.6
239.97198	12.5
240.98056	2.8
245.94583	9.8
246.99088	4.7
251.97073	3.7
251.99333	34.8
257.94980	2.6
257.97958	3.3
261.97684	3.1
262.01434	3.9
269.98251	6.8
282.50171	2.5
287.95859	3.3
287.99213	8.9
305.96686	9.5
306.00015	4.4
321.99814	7.0
324.01498	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.3
55.01862	13.9
55.05511	42.1
57.03437	7.6
57.07067	5.1
65.03920	6.2
67.05508	81.9
68.97372	3.2
69.03412	11.9
69.07068	37.9
71.04987	5.6
79.05501	56.4
81.03399	6.5
81.06590	7.1
81.07057	97.0
83.01329	6.4
83.04969	21.3
83.08626	16.2
85.06538	7.9
91.05486	67.0
93.07047	79.0
95.04979	22.3
95.08620	41.8
97.06527	12.7
97.10146	7.0
105.04473	3.8
105.07036	69.0
107.04927	12.9
107.08590	58.1
109.06564	17.0
109.10160	64.7
111.04430	12.5
111.08083	13.2
117.06988	14.4
119.08584	33.3
121.06504	24.4
121.10136	20.8
123.04435	3.5
123.08038	9.9
123.11701	20.7
125.05979	6.3
125.09574	5.6
128.06178	3.9
129.06996	8.6
131.08568	26.2
133.06491	16.4
133.09126	5.1
133.10132	100.0
135.08054	12.5
135.11684	14.4
137.05960	4.5
137.09619	6.1
139.07533	9.5
142.07851	3.8
143.08554	13.3
145.06468	4.3
145.10165	21.1
147.08041	16.7
147.11670	12.3
149.09653	19.2
149.13251	5.3
151.11200	86.1
155.08563	6.0
157.10126	10.6
159.08044	7.9
159.11702	9.2
161.09619	21.4
161.13281	6.4
163.11165	9.8
164.37413	3.3
171.11694	14.9
175.11192	9.2
177.09093	13.5
179.10692	38.5
181.08604	3.9
183.13826	35.2
185.13287	5.4
189.12694	5.9
199.11079	5.5
207.13786	4.4
211.13232	5.9
217.12206	4.9
223.13264	4.0
227.17892	4.5
229.04913	4.2
237.16373	3.9
245.19006	20.0
255.17570	6.1
256.62628	3.5
263.20206	19.4
273.18491	59.7
277.21448	4.5
291.19559	93.6
292.15112	4.5
302.43524	3.5
305.21243	17.8
305.24182	3.8
323.22394	42.0
335.44608	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03949	6.7
55.01874	13.5
55.05516	34.2
55.86282	1.8
57.03436	7.4
57.07075	3.9
61.01184	2.3
65.03941	3.8
67.05508	73.7
69.03436	9.4
69.07067	23.0
70.96752	4.1
71.05001	6.8
79.05071	3.6
79.05498	51.9
81.03416	7.3
81.07065	100.0
83.01339	2.4
83.04984	25.6
83.08620	13.3
85.06547	7.1
87.02703	2.0
91.05486	62.6
93.07051	57.2
95.04985	13.9
95.08607	29.8
97.02895	1.9
97.06548	11.5
97.10157	5.0
99.08051	2.3
105.07037	65.2
107.04973	12.3
107.08601	51.1
109.06537	13.6
109.10164	57.4
111.04447	7.0
111.08055	12.6
117.07014	14.5
119.08594	28.8
121.06519	13.0
121.10146	19.5
123.04439	5.6
123.08056	10.4
123.11705	14.2
125.05949	3.8
125.09629	2.8
127.02143	1.9
127.07562	2.5
128.06195	2.1
129.07031	5.7
131.08586	20.8
133.06506	15.1
133.10136	98.2
135.08054	9.8
135.11705	8.9
137.06039	2.3
137.09604	5.2
139.07527	6.0
141.09084	2.9
143.08611	11.2
145.06496	2.0
145.10118	15.1
147.08073	8.0
147.11693	10.7
149.09630	15.0
149.13300	2.8
151.11194	81.7
157.10129	7.3
159.08101	5.1
159.11693	5.9
161.09601	12.4
161.13316	3.6
163.11209	4.4
163.14822	2.0
165.09201	2.7
165.12726	3.0
168.80132	1.9
171.08124	1.6
171.11723	7.3
173.13274	4.1
175.11249	7.1
177.09105	12.1
179.10699	11.7
183.12111	2.5
183.13812	31.0
185.13231	4.3
187.11153	2.1
189.12729	3.3
193.12265	6.6
199.11255	2.1
201.12743	2.4
203.14375	4.3
207.13863	3.8
211.13232	2.4
217.12224	2.3
227.17868	5.1
229.14371	4.5
245.19014	12.8
255.17429	6.1
263.20181	13.5
269.97141	1.7
273.18524	34.6
275.20071	16.8
287.19931	2.3
291.19565	56.0
305.21158	21.3
323.22083	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	323.2217
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03945	2.4
55.01874	11.8
55.05516	16.5
57.03441	27.8
57.07070	2.4
61.96991	1.8
67.05508	36.2
69.03428	4.3
69.07066	6.9
70.25681	6.7
71.04986	4.7
79.05071	2.9
79.05499	30.8
81.03419	3.5
81.07069	47.5
83.04985	20.6
83.08636	7.5
85.02907	4.7
85.06548	25.6
85.28943	1.7
86.19139	1.6
91.05476	16.6
93.07058	25.2
95.04988	38.8
95.08601	10.6
97.06537	5.8
97.10180	5.6
105.07030	13.7
107.04961	5.8
107.08613	17.4
107.27708	2.0
109.06520	35.1
109.10178	9.4
111.04446	29.5
111.08116	7.9
113.06015	100.0
115.05407	2.3
116.06212	1.8
117.07034	14.5
119.08597	21.1
121.06497	5.9
121.10149	10.9
123.08084	7.0
125.09642	5.5
129.07022	4.5
131.08556	12.0
133.10104	5.1
135.08060	19.5
135.11714	12.4
143.08589	5.3
145.10146	17.9
147.08060	8.9
147.11732	3.4
149.09622	7.9
153.12750	14.6
157.10153	4.4
159.07976	1.7
159.11678	3.8
161.09584	4.8
163.11177	19.8
165.09137	2.5
170.23183	2.0
173.09663	4.7
180.73640	1.7
181.12257	17.3
189.11162	3.8
191.10716	12.5
209.11745	3.9
217.15916	7.3
223.13348	3.4
227.12827	19.8
237.16298	2.9
249.14844	3.1
255.17458	3.7
273.18536	32.7
291.19562	83.0
305.21136	5.3
323.22360	2.3
343.64420	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48737	1.4
53.03935	5.5
55.01863	5.2
55.05511	10.3
57.03425	1.5
57.07070	7.2
65.03937	2.5
67.05503	23.2
69.03435	2.1
69.07077	8.0
71.04974	3.6
72.45712	1.5
73.61750	1.3
77.03929	1.3
79.05496	31.8
81.03416	6.7
81.07059	84.4
83.04970	4.4
83.08618	3.4
85.06523	5.1
86.16045	1.3
91.05492	16.9
93.06489	1.7
93.07045	21.8
95.04977	22.3
95.08600	13.4
97.06519	5.2
97.10160	3.0
97.79583	1.5
99.08152	1.4
105.07027	13.3
107.04946	7.7
107.08606	11.7
109.06522	73.7
109.10143	5.6
111.04468	3.1
111.08092	2.7
113.06013	2.8
117.07037	6.7
119.05009	1.6
119.08588	10.5
121.06504	4.1
121.10148	8.9
123.04473	1.4
123.08049	6.2
123.11752	1.5
125.09600	3.8
125.54525	1.2
129.07030	3.1
131.08536	8.5
133.06572	1.6
133.10078	7.5
135.08061	9.4
135.11688	4.1
137.05978	14.2
137.09589	3.8
141.07082	1.4
142.07751	1.6
143.08565	4.8
145.06453	1.7
145.09111	1.7
145.10081	10.1
147.08020	4.3
147.11678	1.9
149.09659	8.1
151.11150	2.1
153.09105	3.8
153.12686	1.5
157.10213	1.8
159.11708	4.8
161.09608	11.0
161.13255	1.6
163.11227	6.9
169.10190	1.7
171.11647	3.3
173.09633	3.6
175.11180	3.3
177.12700	1.5
179.10750	2.1
181.10068	1.9
181.12141	1.5
185.13240	2.2
189.12714	1.5
189.16064	1.3
191.10684	2.7
206.04391	1.5
211.14740	1.8
221.15369	100.0
227.12848	1.6
227.17889	1.6
237.16592	1.7
245.18990	2.2
255.17403	1.6
263.20291	1.6
273.18460	14.9
291.19534	18.0
305.21091	12.3
323.22412	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.6
51.51838	1.4
53.03944	2.8
55.01873	11.6
55.05515	16.9
57.03431	2.7
57.07072	3.8
61.28847	1.2
64.75652	1.2
67.05508	27.3
69.03431	2.8
69.07072	11.7
69.07397	2.0
71.04993	5.2
73.06581	1.5
79.05497	27.9
81.03426	4.1
81.07062	60.8
83.04986	22.5
83.08623	11.8
85.02900	6.0
85.06554	4.5
91.05487	19.3
93.07048	25.5
95.04971	13.1
95.08611	15.9
97.06541	9.1
97.10165	7.9
98.20779	2.1
99.04457	3.0
99.08089	4.0
105.04533	1.3
105.07041	14.7
107.04971	12.5
107.08598	18.2
109.06516	10.9
109.10175	10.1
111.04450	32.8
111.08096	12.1
113.05998	2.2
117.07028	9.5
119.05013	1.5
119.08588	23.4
121.06510	6.7
121.10162	15.2
123.08059	10.2
123.11704	1.2
125.05989	2.0
125.09624	6.8
129.07004	5.7
131.08554	12.5
133.06541	2.3
133.10129	6.8
135.08086	9.3
135.11697	14.2
137.05972	2.7
137.09628	3.6
139.07509	1.6
143.08582	4.5
145.06488	1.5
145.10123	17.9
147.08052	10.2
147.11671	6.5
148.14035	1.2
149.09605	8.4
149.13245	1.6
151.11211	2.3
153.09183	2.6
153.12746	14.6
157.10120	6.4
159.08025	2.4
159.11731	4.2
161.09657	5.3
163.11183	21.6
163.14873	1.5
165.09134	2.8
169.10201	1.4
171.07935	1.3
171.11684	3.8
173.09598	5.8
173.13371	1.5
175.11217	5.8
179.10640	1.4
181.12238	20.7
183.11710	1.6
185.13377	1.7
189.11264	4.3
191.10664	19.0
193.12241	3.0
203.10672	1.6
203.14288	1.4
209.11729	4.2
221.15266	1.4
221.17422	1.7
223.13333	4.1
227.12779	29.2
227.17958	2.1
229.08855	1.4
249.14832	3.2
255.17476	4.4
263.20135	1.8
273.18469	25.9
277.21738	1.6
291.19559	100.0
305.21164	10.6
323.22354	13.2
338.25516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1638
Annotation	Lonchocarpene
Peak:m/z	Relative Intensity
53.83533	0.2
56.29051	0.2
69.66376	1.0
70.06618	0.2
70.39406	0.2
84.08147	100.0
85.08491	0.3
86.09714	0.4
89.68219	0.2
91.52715	0.2
92.52730	0.2
96.73510	0.2
98.21487	0.2
135.35727	0.2
163.03917	0.3
164.07411	25.0
165.07773	0.2
185.27333	0.2
197.47583	0.2
323.16354	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	323.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	18.7
55.05514	25.5
57.03441	3.6
57.07087	2.3
58.06596	2.0
59.04995	4.3
64.95745	2.1
65.03938	3.4
67.05506	25.3
69.03430	6.1
69.07073	28.0
70.06612	11.2
71.04996	16.1
71.14901	4.2
72.08150	3.9
73.06538	8.1
79.05492	32.2
81.03408	7.3
81.07054	32.3
83.04987	21.2
83.08620	21.3
84.04495	7.1
84.08165	10.6
85.02893	5.7
85.04044	2.3
85.06540	10.6
86.09728	13.2
86.75415	2.0
87.04483	3.6
91.05076	2.1
91.05489	22.1
93.07039	24.4
95.04957	9.9
95.08598	16.2
97.06541	20.9
99.04460	8.1
101.06007	14.9
105.07043	11.1
107.04981	11.5
107.08608	20.3
109.06496	6.2
109.10167	7.4
110.07163	4.0
111.04449	19.2
111.08082	14.1
113.05991	4.2
113.09634	2.8
115.03927	3.4
115.07575	7.7
117.03353	2.4
117.07035	12.1
119.04926	6.9
119.08580	10.4
120.08099	5.5
121.06507	22.0
121.10146	8.1
123.08080	5.1
125.06013	16.4
125.09631	46.5
127.07578	4.7
129.05495	17.5
129.06993	3.7
129.09103	14.8
129.10098	3.4
130.05078	3.5
131.08588	14.5
133.06448	2.9
133.10150	3.4
135.04410	3.5
135.08051	11.2
135.11673	2.9
136.07552	2.4
137.05983	5.9
137.09604	2.7
139.07526	11.7
141.06935	3.6
141.09103	4.9
143.07048	6.4
145.10118	8.1
147.04420	31.0
147.08060	3.9
147.11646	3.6
149.06010	14.0
149.09583	3.7
151.07518	4.0
153.09099	3.3
157.10101	5.1
159.08047	3.2
159.11678	8.6
163.03893	11.0
163.07515	13.8
165.06985	4.0
167.07076	5.4
173.13266	30.2
177.09077	5.0
179.10493	2.5
181.08646	11.0
183.11743	6.0
191.14299	10.7
192.94614	2.1
193.06488	2.9
194.03537	4.1
195.10121	3.7
201.12726	15.9
207.07619	4.4
209.15450	3.8
219.13786	34.9
221.05939	6.7
231.08083	3.8
237.14865	100.0
249.05486	5.5
251.16460	10.7
255.15872	7.3
269.17465	8.8
269.20584	2.1
277.04987	5.2
295.05997	5.1
305.04800	2.9
323.05301	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	323.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.0
70.06581	2.1
71.05002	0.9
71.51379	0.9
76.55980	0.9
81.03391	0.7
81.07033	0.9
83.04961	1.0
84.04504	5.6
84.08153	1.8
85.02907	1.2
86.06069	1.4
86.09697	0.9
87.04465	4.3
91.05470	1.3
98.97589	0.9
103.05486	1.7
104.07126	5.9
115.05457	1.5
115.07613	1.1
118.06543	1.3
123.04437	1.4
123.05445	0.8
128.04951	1.5
130.05103	3.9
130.06535	35.1
132.04463	1.8
135.04375	0.9
145.07623	1.0
146.06018	36.1
148.03908	2.4
148.11227	9.8
149.11516	0.9
155.06004	1.3
156.04453	11.1
157.07663	4.2
157.97275	0.7
158.06027	100.0
162.05521	1.1
163.03943	1.8
169.03532	0.8
173.07123	45.8
174.05528	12.4
175.08702	1.5
175.11884	1.9
188.09192	1.3
197.07118	1.2
198.05608	0.9
199.05023	1.0
201.06627	4.3
202.03391	0.8
202.05038	7.8
219.07655	1.1
243.07587	4.1
249.05496	1.4
259.07181	20.8
261.08765	8.7
273.98318	0.9
287.06665	6.1
295.06131	1.5
305.07584	4.1
323.05298	2.0
323.12585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38598	1.7
62.25631	1.5
70.15465	5.4
70.15815	2.1
72.24959	1.6
76.02231	2.0
76.04010	4.9
78.95638	23.8
84.04513	29.4
84.08142	2.4
91.64249	1.6
94.93016	87.1
109.02884	2.6
109.91698	5.1
112.89616	2.6
123.03015	1.6
124.93786	2.9
126.99165	1.6
127.03913	2.3
130.05011	12.5
131.04495	4.3
132.90640	2.7
142.93851	24.9
142.94827	27.5
143.01862	1.9
158.92271	3.2
160.90144	3.1
161.02988	1.9
167.50389	1.6
172.92307	9.3
176.93626	2.3
177.03256	2.8
179.04889	3.1
180.89462	1.8
180.93051	3.7
188.89638	100.0
190.89166	4.4
191.04437	2.9
194.96674	3.2
196.86746	11.8
202.91269	3.2
203.05283	19.1
204.87091	2.4
210.94029	4.3
228.92827	2.2
231.04333	4.1
248.89473	2.0
250.91545	3.2
304.94547	2.0
323.07358	44.1
323.12103	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	322.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60563	1.4
55.01883	2.0
55.05505	3.4
55.92340	1.6
56.38458	1.5
57.07057	1.5
59.47883	1.3
61.46732	1.5
66.43144	1.4
67.05504	5.8
69.03442	2.0
69.07079	15.9
70.06615	2.0
71.32669	2.6
79.05517	7.1
81.07065	3.9
83.04977	3.5
84.04568	1.6
84.08135	1.8
86.09715	100.0
91.05487	18.2
93.07063	6.9
95.05000	3.8
95.08626	2.4
103.05462	1.7
105.07043	19.8
107.04939	1.9
107.08598	10.4
109.06532	5.2
109.51967	1.6
115.05448	2.4
116.06252	2.0
117.07033	19.2
119.08578	7.7
120.08087	3.5
121.06489	2.6
121.10149	3.8
123.08083	1.8
128.10748	2.9
129.07018	5.4
130.07799	8.3
131.08578	55.3
131.09541	3.1
132.10205	34.7
132.11182	2.3
135.08090	3.8
135.11719	1.5
143.08603	3.1
145.06512	2.1
145.10138	50.9
147.04428	2.3
147.08070	5.2
147.11693	7.0
149.09637	26.9
155.08577	2.3
163.11188	7.1
173.09615	9.6
182.23189	1.5
191.10699	22.9
206.15448	2.2
258.18570	15.5
265.15317	1.5
276.19592	26.4
304.19141	15.5
322.16870	2.6
322.20432	13.2
323.12933	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60941	1.3
70.06580	1.2
71.50816	1.6
71.51237	1.6
78.95666	3.4
85.02917	2.3
111.05579	4.3
118.97528	1.3
123.05549	3.7
123.55627	1.2
141.06619	9.2
146.08418	6.7
158.92288	2.6
159.06462	1.5
159.07620	6.4
164.92065	1.3
182.18767	1.6
188.97289	1.2
194.57614	1.4
216.94896	14.9
222.21498	1.5
243.99422	1.5
260.95346	1.3
302.96664	2.6
320.97537	14.2
321.05692	5.7
321.11841	100.0
322.05359	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.6
54.00720	2.6
55.01861	12.3
55.05511	39.5
57.03440	67.3
57.07077	2.8
57.52112	2.7
59.04983	3.1
67.05508	44.9
69.03426	5.3
69.07064	21.0
69.59887	2.8
69.84724	15.5
71.05002	7.8
72.30679	2.9
73.06566	4.6
79.05492	44.3
79.05917	3.6
81.03442	5.3
81.06592	4.8
81.07060	51.5
83.04987	50.5
83.08626	11.1
85.06543	10.4
91.05489	48.4
93.07051	48.8
95.04966	16.3
95.08613	33.8
96.58263	3.3
97.06509	7.8
97.10201	13.9
98.20825	4.2
99.04449	6.2
99.08094	7.3
105.07044	46.3
107.04951	52.6
107.08607	26.4
109.06513	32.5
109.10154	15.1
111.04441	34.7
111.08069	6.7
113.06007	9.6
117.06999	19.2
119.04980	3.4
119.08578	39.8
121.06524	22.7
121.10124	18.0
123.04472	5.1
123.08082	18.1
125.06031	6.5
125.09667	5.6
126.74718	3.1
128.06230	3.3
129.07027	14.2
131.04935	3.6
131.08572	24.4
133.06474	16.3
133.10123	27.8
135.08049	28.0
135.11700	5.5
137.05981	6.4
137.09656	10.8
137.13251	4.2
141.06973	5.5
143.08595	8.2
145.06476	10.5
145.10121	22.5
147.08075	16.9
147.11687	9.9
149.05988	10.3
149.09596	6.8
151.11229	8.7
155.08575	9.6
157.10129	7.9
159.08055	42.5
159.11667	16.2
161.05920	3.5
161.09612	18.4
161.13319	3.8
163.07564	9.9
163.11197	11.7
169.10150	9.5
171.11717	9.5
173.09593	14.3
173.13246	6.9
175.07613	3.3
175.11221	5.5
177.09137	10.1
177.12773	12.7
178.13452	3.9
179.14285	4.7
181.10120	3.2
185.09595	3.9
187.11176	6.0
187.14848	7.3
189.12683	4.1
191.10709	3.8
193.12267	5.9
197.13254	6.8
199.11201	8.6
201.09132	5.7
201.12762	4.0
205.15953	9.6
215.14336	17.0
217.12207	3.2
223.13110	2.9
225.16394	5.9
229.15683	3.4
233.15388	49.5
238.24760	2.7
243.17494	14.0
247.47751	3.4
253.15895	15.5
261.18536	22.7
271.16949	37.9
289.18027	100.0
289.21323	7.3
303.19629	5.3
321.14825	3.6
321.20715	9.5
321.24286	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01868	4.4
55.05512	6.0
57.07084	7.7
58.02964	14.6
60.83224	1.1
67.05245	1.0
67.05515	11.0
69.07074	17.3
69.47487	3.7
69.47913	4.3
70.80927	1.2
71.08639	11.6
79.05499	7.7
81.07055	14.3
83.04957	1.3
83.08607	2.0
85.06544	4.3
91.05474	6.3
93.07047	12.9
95.04447	1.7
95.04985	16.2
95.08610	23.2
97.06525	5.0
98.09758	1.1
99.08106	6.2
100.07619	7.4
105.07045	7.1
107.08601	11.5
109.06528	25.9
109.10160	6.3
111.11668	1.4
114.09161	3.9
117.06991	2.4
119.08582	6.1
121.06522	4.9
121.10144	4.6
123.08044	3.6
123.11726	1.6
126.09155	1.7
128.10722	4.5
131.08575	4.3
133.10139	8.3
135.08058	5.2
135.11694	1.9
137.09622	3.2
142.12285	3.2
142.68642	1.2
145.10126	3.7
147.11707	4.0
149.09639	2.9
149.13249	4.7
155.33606	1.2
156.13861	2.0
158.15288	1.3
159.11725	2.2
161.13307	1.8
163.11185	3.6
163.14835	3.5
165.12766	100.0
166.12254	3.3
168.13841	11.3
170.11720	2.3
173.13268	7.8
175.11240	5.2
177.12750	1.3
179.14378	2.1
191.14316	11.6
198.14882	12.7
201.12752	4.7
206.15424	8.9
222.18552	23.1
229.19540	3.1
253.19577	2.3
261.22131	2.5
264.02316	1.3
264.19675	2.5
271.20663	8.7
289.21628	17.3
302.24716	3.9
320.25870	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01884	2.8
55.05507	3.3
57.07056	1.2
59.04993	2.0
65.03938	1.3
67.05501	5.8
69.03422	2.4
69.07071	15.9
70.06606	6.4
71.04995	3.6
71.51964	1.5
73.06557	3.0
79.05496	10.7
81.03424	1.7
81.07070	11.6
83.04990	4.0
83.08646	1.2
84.08125	2.1
85.02906	2.7
85.06546	1.9
86.09747	1.9
87.04487	1.4
89.06052	1.7
91.05474	8.8
92.04994	1.8
93.07057	8.3
95.04966	4.0
95.08620	4.7
97.06533	10.5
99.04474	1.2
99.08088	1.5
100.11241	1.1
101.06023	5.9
105.07053	5.1
107.04934	4.9
107.08613	2.7
109.02883	1.0
109.06518	3.7
109.10170	2.1
110.07169	1.7
111.04475	5.6
111.08098	1.2
113.06009	1.6
115.07597	3.2
117.07037	3.1
118.06622	1.1
119.08576	4.4
120.08112	2.3
121.06517	4.3
121.10156	3.6
122.09699	1.4
123.04489	1.2
123.08069	4.0
125.05988	9.3
127.03944	1.9
127.07561	1.2
129.05479	7.9
131.08543	5.2
133.10155	2.3
135.08087	2.3
135.11760	1.1
136.07582	2.9
137.05965	2.6
138.05492	6.6
139.07562	2.9
139.11203	1.3
141.06999	1.7
141.09087	2.2
143.07053	14.6
143.08551	2.6
145.10081	5.5
147.04456	3.1
147.08084	2.1
147.11720	2.0
149.05977	7.0
149.09569	1.1
151.03906	1.3
151.07573	1.4
152.03439	1.3
155.08572	3.1
159.11707	3.6
161.08118	9.0
161.09509	1.9
163.11205	2.2
166.05017	17.5
167.07191	3.9
169.08772	2.0
169.10173	6.0
170.09639	1.3
171.11646	1.3
173.09628	3.6
177.12679	1.7
182.04480	1.1
182.09737	2.3
187.11191	10.0
189.09163	3.5
189.12691	1.3
191.10661	3.8
199.08762	1.4
199.12387	3.0
205.12248	11.7
209.12035	4.8
210.09157	3.0
211.12381	1.1
212.10896	2.2
213.10269	1.7
214.08606	2.1
215.10742	7.0
223.13300	2.4
227.08218	2.4
227.11830	3.1
230.11766	3.0
233.11731	42.6
237.10208	2.4
238.08778	1.3
239.11746	1.1
243.07770	1.3
245.09300	15.2
247.13290	2.1
251.12793	20.9
255.11308	18.6
255.13908	1.3
257.12711	1.7
259.10843	1.0
260.09091	1.6
265.09833	3.7
265.14352	18.8
269.13828	10.2
270.10007	4.1
273.04059	1.4
273.12384	19.0
283.10803	19.5
283.15530	2.6
301.11835	100.0
318.66443	3.3
319.07663	2.3
319.12839	3.8
319.16101	1.5
319.22742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00306	1.3
55.01871	4.8
55.05515	9.6
55.90918	1.3
57.03448	1.5
57.29624	1.3
59.04998	2.8
67.05501	10.0
69.03429	3.6
69.07071	35.6
69.71510	1.4
70.06591	3.0
70.50421	1.5
70.97936	3.1
70.98319	1.8
71.04996	3.7
73.02901	1.9
73.06564	7.5
78.05512	1.3
79.05493	24.1
81.03417	5.7
81.07066	22.2
83.04980	12.0
83.08612	2.6
84.08143	2.6
85.02897	3.1
85.06545	3.1
87.04465	3.5
89.06049	3.3
91.05488	12.3
93.07048	16.6
95.04981	4.3
95.08614	5.6
97.02864	2.0
97.06540	19.8
99.04459	3.8
99.08064	1.8
101.06026	20.2
105.07034	7.8
107.04959	7.9
107.08584	4.0
109.02933	2.8
109.06509	7.2
109.10147	2.4
111.04436	11.2
111.08047	3.2
113.05997	2.8
114.09221	1.7
115.03963	1.8
115.07546	8.1
117.07040	5.2
119.08604	5.0
121.06502	13.7
121.10150	3.7
123.08044	4.1
125.05986	22.1
127.03938	3.9
127.07580	1.6
128.06244	1.7
129.05492	23.2
129.07008	3.1
131.08589	7.6
133.06509	2.3
133.10133	2.3
135.04437	2.0
135.08089	2.8
135.11684	2.4
137.02361	1.8
137.05962	7.4
139.07568	4.5
139.11206	2.4
141.06996	5.2
141.09096	4.3
143.05920	2.0
143.07036	30.5
143.08630	2.8
145.06543	2.6
145.10146	13.9
147.04399	2.3
147.08043	4.2
149.05998	16.0
151.07558	2.5
151.46272	1.6
153.09163	1.3
155.08548	2.2
159.11670	8.0
161.08115	16.3
161.09607	4.7
163.03958	2.6
163.07524	3.1
163.11212	3.5
167.07080	4.3
169.08763	3.3
169.10150	11.9
171.11745	1.3
173.09657	6.6
177.12807	1.9
181.08612	2.7
185.13307	1.7
187.11188	23.8
189.09079	9.7
189.12817	1.5
191.10690	8.7
197.09579	1.9
205.12222	26.5
205.13985	2.4
207.10199	2.0
209.11765	11.0
215.10709	18.4
219.13737	2.1
223.13350	4.6
233.11740	100.0
247.13283	5.6
251.12784	41.0
255.11317	3.9
265.14355	39.5
269.13876	18.4
273.03973	4.3
273.12384	2.9
283.10834	2.5
283.15332	8.3
301.11874	11.5
301.16391	5.0
319.04578	5.6
319.12524	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
55.93534	0.7
56.05040	1.2
60.97718	0.6
69.03426	1.6
69.60019	0.8
70.06602	2.4
70.16492	2.9
70.98144	0.8
71.04996	1.5
72.08155	1.4
72.93792	1.6
84.04501	3.1
84.05007	0.7
84.08150	2.8
85.01455	0.7
85.02899	2.2
86.09711	71.7
87.10054	1.0
90.94801	1.0
100.07625	2.3
102.05550	2.4
107.77997	0.7
110.06020	1.3
111.69132	0.7
113.00890	1.3
114.05564	1.3
116.07121	0.9
119.96744	0.7
121.06506	1.2
122.06858	2.3
128.07088	1.2
129.10194	0.7
130.05014	1.1
131.01897	2.2
132.10214	61.7
133.03468	1.3
136.06207	0.9
137.05949	1.0
138.05504	5.5
138.06387	1.1
139.05865	7.7
142.05016	1.2
142.08659	1.4
143.01894	1.8
145.03462	1.7
146.08134	0.8
147.01427	1.4
148.06076	1.4
156.06552	4.0
157.03535	1.1
157.04744	7.4
157.06914	4.0
161.02971	6.3
172.80710	0.8
175.04488	1.1
177.02446	0.8
184.06343	1.3
185.04218	1.4
186.09489	0.9
188.09210	3.8
195.01270	1.0
199.00941	1.9
201.02101	1.9
203.04031	1.3
213.02446	4.7
215.04015	1.6
223.00920	1.1
227.03989	2.2
229.05521	0.6
241.01965	1.8
244.03929	0.9
245.04996	1.9
259.02948	5.5
273.04578	3.1
277.04068	1.6
287.02686	2.1
301.04031	3.9
301.09204	0.9
301.15714	1.2
319.09995	100.0
319.13666	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	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15111	0.3
52.56913	0.2
53.03937	0.6
55.05513	1.6
56.05034	0.3
57.03416	0.3
61.87680	0.3
65.03938	0.4
67.05500	0.7
68.05031	0.4
69.03431	0.7
69.07063	1.0
70.06591	2.9
71.03220	0.4
71.05002	0.6
72.08150	0.5
79.05496	5.6
80.05009	1.6
81.03413	0.4
81.05802	5.3
81.07059	3.8
82.06571	0.6
84.04488	0.6
84.08150	1.4
85.02896	0.9
85.06542	0.4
86.09707	2.3
91.05471	0.6
92.04994	0.5
93.07045	0.5
94.06580	1.7
95.04974	0.6
95.08608	0.5
96.08132	22.4
97.02881	0.3
97.06548	0.5
99.04427	0.3
105.07046	0.4
106.06551	4.0
107.04994	0.6
107.08582	0.5
108.04498	0.3
109.02882	0.4
110.06048	0.8
115.07599	0.3
118.06501	0.3
119.04948	0.3
120.04510	0.6
120.08090	0.6
121.29281	0.3
122.06006	0.5
122.09698	0.4
124.07592	100.0
127.03935	0.9
129.10223	0.4
134.06081	0.4
136.03969	0.5
136.07588	1.6
138.05519	0.6
138.09140	2.7
140.10709	2.8
144.08124	0.4
149.05959	0.5
150.09151	0.7
151.03847	0.6
152.03395	0.4
154.05043	0.4
155.08318	0.4
157.12250	0.3
164.03432	0.5
166.05043	0.5
167.07120	0.4
174.09122	0.3
177.05460	0.5
178.05035	3.4
180.02910	4.7
182.04492	5.9
184.07687	0.4
185.08412	0.4
187.08743	0.8
198.04019	0.6
200.09212	0.3
201.13831	0.4
210.08986	0.4
211.08859	0.4
212.09145	0.4
212.10857	0.8
214.12259	0.7
227.08327	0.4
227.11855	1.5
228.10332	0.5
229.09840	0.4
229.13284	1.7
230.11786	0.6
240.10274	0.6
241.06184	0.5
241.09703	0.9
255.07515	0.4
255.11301	3.5
256.09857	0.4
257.12918	2.0
258.11237	0.4
259.10776	1.0
270.09915	2.3
271.21133	0.3
272.07965	2.1
273.03992	1.3
273.12299	2.5
275.13898	1.0
283.10706	1.6
291.13068	0.4
301.11841	9.1
319.04724	1.2
319.12885	48.7
320.13190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94195	0.8
53.03938	0.9
55.01871	0.8
55.05503	2.5
57.61168	0.8
59.79717	0.8
60.05649	1.2
65.03934	1.9
67.05490	3.2
69.03427	1.3
69.07054	3.6
70.06600	6.7
70.77425	2.3
71.05002	1.1
77.60715	0.8
79.05498	2.6
81.03422	1.1
81.07051	4.8
83.04969	2.5
83.08622	1.5
84.08151	2.7
85.02920	1.8
85.06501	0.8
86.09694	2.3
91.05480	3.0
93.07048	3.4
95.04946	2.5
95.08608	3.2
97.02893	1.1
97.06524	2.2
105.07040	2.7
107.08582	1.9
108.08147	1.1
109.02875	1.2
109.06537	1.5
110.07158	0.8
111.04407	1.6
111.08056	1.0
113.06036	0.9
119.08551	1.4
120.08100	1.7
121.06491	1.6
121.10123	1.5
122.01083	0.8
123.08093	1.5
125.05991	1.5
127.03948	1.0
129.05469	1.9
129.07014	1.6
129.10275	1.4
130.06552	1.9
131.08531	1.8
135.08031	1.0
136.07574	5.0
137.06001	1.4
138.05493	6.0
143.07048	2.3
143.08511	0.8
145.10077	1.8
147.04338	1.5
147.08026	1.1
148.07570	1.3
149.05978	2.0
149.09645	1.2
151.03897	1.3
151.07561	1.2
158.06026	1.2
159.11655	1.8
161.08141	1.4
166.05009	14.6
167.07274	1.6
169.10120	1.0
177.05466	1.6
180.16608	0.9
182.09714	2.3
184.11310	2.1
185.13225	1.0
187.11153	1.6
191.10715	1.0
194.08365	1.3
199.12349	2.6
205.12311	1.3
209.10718	3.9
210.09140	2.9
212.09143	1.4
212.10863	2.6
214.08640	2.5
227.08229	2.0
227.11803	4.3
230.11778	4.0
232.09827	1.2
233.11737	6.6
237.10226	4.4
238.08786	1.0
240.10190	1.2
241.09769	1.1
243.07635	1.1
245.09233	10.8
247.16949	1.3
251.12796	3.3
255.11322	20.0
257.12888	1.6
258.11264	1.1
260.09232	1.3
265.09763	4.0
265.14282	2.0
269.13373	1.7
270.10022	2.9
273.04071	1.4
273.12350	14.7
283.10788	17.7
301.11838	100.0
318.66467	2.1
319.12729	3.2
319.16074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
53.12197	0.4
55.05503	0.6
60.05637	0.4
65.03945	2.6
67.05489	0.9
69.03422	0.5
69.07069	0.5
70.06599	2.3
71.04987	0.4
71.24973	0.6
79.05479	1.3
80.05023	1.1
81.07055	1.2
83.04966	0.6
84.08146	0.8
86.09721	0.4
91.05487	1.6
92.05009	4.4
93.03429	0.6
93.07059	1.2
95.04974	0.5
95.08596	0.8
96.08118	0.8
97.02898	0.4
97.06507	0.6
99.78146	0.4
100.11239	0.3
104.05006	0.5
104.95280	0.4
105.07050	0.7
106.06565	0.6
107.04955	0.6
107.08572	0.5
108.04458	1.5
109.02874	0.3
109.06487	0.5
110.06049	1.1
110.09675	1.2
111.04457	0.3
117.07047	0.7
118.06516	0.4
119.08582	0.5
120.04482	1.3
120.08119	0.6
120.55122	0.3
121.06514	0.5
121.10148	0.5
122.05982	0.4
123.08096	0.3
124.07626	1.9
125.05981	0.3
129.07031	0.8
130.06503	0.6
131.08630	0.6
132.04497	0.5
133.10146	0.5
134.05998	0.5
135.08073	0.5
136.03943	6.6
136.07603	1.1
137.05968	0.6
138.05486	1.1
138.09157	18.3
142.06671	0.4
142.07779	0.4
143.08557	0.5
144.08121	0.6
145.10162	0.3
146.06032	0.5
149.06007	2.8
149.09647	0.4
150.05441	0.5
150.09090	0.5
151.03914	4.9
151.05000	0.7
151.07530	0.4
153.07016	0.7
154.05003	2.8
155.08577	1.7
156.08089	0.6
157.08824	0.6
157.10101	0.8
158.09712	0.7
159.09198	0.7
159.11702	0.9
160.11185	0.5
164.03435	5.3
165.10318	0.5
167.07269	1.1
167.08574	0.5
168.08058	0.5
169.08879	1.2
170.06006	0.5
170.09665	0.7
171.09193	0.7
171.10457	0.4
172.07591	0.4
172.09920	0.7
174.12804	1.2
175.09918	0.4
176.03372	1.9
177.05481	5.4
178.05048	0.5
182.04517	15.1
182.05930	0.6
182.09705	1.6
183.08037	0.5
184.09819	0.5
184.11353	1.9
185.07071	0.5
186.09210	0.7
186.12854	0.5
188.10689	0.7
194.04457	1.1
195.06778	0.4
196.10025	0.9
198.07869	1.3
199.08604	1.6
199.12344	1.0
200.09459	1.3
201.10260	0.4
201.13878	7.2
202.12347	0.6
209.10782	0.9
210.09132	1.5
211.08688	1.4
211.12340	0.8
212.09399	2.1
212.10814	1.9
213.06676	0.4
213.10226	0.7
214.08876	0.6
214.12302	1.5
215.11804	0.4
226.07376	0.7
226.11032	0.7
227.08171	1.5
227.11790	3.7
228.08784	3.2
229.09668	1.4
229.13383	34.4
230.11743	0.7
237.10275	0.6
238.08553	1.9
239.08278	0.7
239.11896	0.8
240.08936	1.7
240.10524	0.6
241.09682	1.1
245.09306	0.7
255.07440	0.4
255.11308	9.3
255.13948	0.6
256.09631	0.8
257.12872	22.2
258.11249	1.4
259.10751	0.9
272.07809	1.6
273.04062	0.7
273.08878	0.5
273.12415	8.6
283.10806	9.7
284.09195	12.8
290.08951	0.7
291.13477	2.1
301.11850	32.8
319.12906	100.0
320.13181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.0
55.89386	1.1
56.05030	1.3
58.51249	1.2
60.04530	30.0
62.73554	1.2
69.07052	1.9
70.02952	2.3
70.06597	10.9
71.51757	1.9
72.08160	74.4
81.03408	1.5
81.07047	1.3
84.04518	1.5
84.08147	6.9
85.81538	1.3
86.09712	82.7
87.05602	17.4
91.05501	1.4
93.07014	1.6
94.06636	1.2
96.08125	1.4
98.09670	1.3
98.97602	1.4
100.07638	1.3
110.07102	1.5
114.09179	18.9
118.08645	10.1
120.08114	8.1
125.10704	1.3
127.03883	1.3
128.10706	2.7
129.10249	3.7
130.06516	2.2
132.10204	6.5
136.07553	1.5
138.05542	1.7
144.07974	1.0
149.85013	1.1
155.11806	1.6
155.58170	1.1
156.06599	1.4
157.07591	2.5
159.11304	100.0
163.03915	1.5
173.12889	32.8
173.38533	1.1
187.10789	40.2
199.08583	1.3
201.12354	28.8
203.08026	2.6
205.11858	21.2
215.14381	1.3
272.10461	1.9
300.19220	2.3
301.15421	5.3
318.20157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0813
Annotation	CHEBI:68128
Peak:m/z	Relative Intensity
51.02372	0.2
53.00316	0.2
53.03951	0.2
53.13910	0.2
55.01881	1.4
55.05508	0.3
57.03450	0.2
60.04518	0.2
65.03929	0.3
65.35563	0.2
67.05496	0.5
68.99792	0.8
69.03419	0.5
69.07060	0.4
69.32819	0.2
69.85428	1.0
70.06589	0.8
71.01347	1.0
72.08131	0.2
76.54572	0.2
79.05476	0.4
81.03407	0.4
81.07041	0.3
83.01334	0.3
83.04974	0.4
84.08131	0.4
85.02893	0.5
86.09709	0.5
91.05481	2.4
93.07044	0.4
93.72022	0.2
95.04971	0.5
95.08586	0.3
97.02885	1.0
105.03368	0.3
105.07030	0.3
107.04949	0.4
107.08632	0.3
109.06517	0.2
109.10194	0.2
111.04438	0.6
119.04121	0.4
119.04950	7.3
119.08583	0.3
121.02876	0.5
121.10121	0.2
123.00790	0.3
123.04434	19.2
125.02391	0.2
125.05923	0.2
127.03916	0.2
131.08611	0.3
133.74159	0.2
135.04379	0.3
136.07553	0.2
137.02367	0.4
137.05942	0.7
139.03908	2.9
141.01828	1.0
147.04417	21.1
148.04729	0.2
151.03937	0.9
153.05498	0.2
155.03415	0.5
165.01852	15.1
165.05481	12.4
167.03407	100.0
168.03737	0.6
179.03423	2.7
181.04991	1.3
183.02895	4.2
186.09212	0.2
188.10767	0.3
191.03432	0.2
197.04448	2.0
209.04459	1.1
212.09445	0.2
214.08629	0.3
240.09042	0.4
241.09729	0.3
255.11374	0.6
259.10889	0.2
273.12350	0.7
283.06116	0.3
301.07037	1.5
301.11856	2.2
318.66440	0.6
319.08142	6.0
319.12860	1.8
319.16135	0.4
319.19516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2025
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05517	6.0
56.05041	1.8
56.96577	1.4
58.68758	1.0
60.04525	33.2
66.23003	0.9
67.05486	1.6
69.03406	1.3
69.07066	2.5
70.02954	2.5
70.06593	10.9
72.08160	77.5
79.05491	1.2
81.07043	1.4
84.04528	2.3
84.08141	8.2
85.02904	4.4
86.09710	84.8
87.05593	14.7
91.05472	1.8
93.07037	1.2
94.06554	1.7
96.08137	3.1
98.97556	1.2
103.05492	1.1
107.04981	1.3
110.07135	1.4
114.09178	16.8
118.08667	9.9
120.08089	6.5
124.07553	1.4
125.10772	1.4
128.10732	2.2
129.10277	3.9
130.06563	2.0
132.10225	6.3
136.07593	2.3
138.05458	1.2
140.12535	1.0
145.05067	1.1
155.11803	2.4
157.07607	3.0
159.11299	100.0
173.12871	32.0
183.11250	1.4
187.10780	40.0
191.33932	1.1
199.08832	1.4
201.12337	30.7
203.08078	1.4
205.11841	22.8
205.83607	1.0
221.09079	1.6
231.17110	1.7
299.27966	1.1
300.19189	1.6
301.15482	4.7
318.09836	2.4
318.19858	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02763	0.3
53.03938	0.5
55.01869	0.3
55.05508	0.6
56.05032	0.7
56.96584	0.3
57.03427	1.3
60.04530	0.7
61.02915	1.3
67.05502	0.7
69.03429	3.7
69.07058	1.2
70.06599	2.7
70.41289	1.1
72.08142	1.5
73.02914	1.0
79.05496	0.5
79.22713	0.4
81.03415	1.8
81.07041	0.4
82.06588	0.8
83.05001	0.8
84.04482	0.8
84.08145	2.0
85.02912	8.2
86.09706	5.3
87.04470	0.5
87.10009	0.4
88.03990	0.4
91.05466	0.6
93.07040	1.4
95.08589	1.5
96.04492	2.5
96.08118	2.3
97.02912	3.6
97.05266	1.4
97.06528	1.1
99.04495	0.4
100.07623	1.0
103.05457	0.4
109.02857	0.6
109.06512	0.6
110.06044	5.5
110.07199	0.8
110.09672	3.3
111.04429	0.9
111.08076	1.0
120.08112	1.8
121.06511	1.3
125.08397	0.7
126.09159	9.3
127.03918	1.8
129.10214	0.8
130.06532	0.7
137.07698	0.3
138.09145	20.8
139.07613	1.5
144.04395	1.0
145.04942	1.5
146.08134	0.3
152.10690	0.5
156.10205	100.0
157.10556	0.6
168.10229	1.4
172.03845	0.4
173.12891	1.2
175.11928	0.4
180.10251	0.5
181.05014	0.8
190.01613	0.4
198.11179	0.7
201.12416	0.5
256.72678	0.5
272.06192	0.4
272.11240	0.4
309.08279	0.3
318.11850	1.1
318.15521	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	318.1451
Annotation	Polanrazine F
Peak:m/z	Relative Intensity
55.05511	1.6
56.05019	0.8
61.02927	1.0
61.35218	0.6
69.03444	1.1
70.06599	100.0
71.06922	0.6
72.08152	4.9
74.06095	1.7
78.02690	0.5
79.11277	0.6
84.04537	1.4
84.08150	1.9
85.02911	4.9
86.09725	1.7
97.02909	1.0
110.07187	1.0
111.04479	0.8
114.05539	0.7
116.06330	0.5
116.07115	2.8
120.08128	1.6
121.02943	0.7
121.06502	4.6
125.07143	1.0
127.03957	1.2
128.10712	0.9
130.06548	10.7
132.04460	3.4
132.08153	0.7
138.05492	1.0
139.03893	0.8
145.04993	2.3
147.04414	0.7
155.08287	0.7
157.07625	12.7
157.08870	0.7
158.06036	10.0
159.09187	3.6
173.12985	1.0
175.08687	15.1
185.07089	3.4
186.86496	0.7
187.07497	0.7
187.41859	0.7
190.19746	0.6
201.12437	1.6
203.08160	5.9
219.13455	0.8
221.09239	20.8
256.14624	1.5
272.09766	0.6
300.13461	11.8
318.14597	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	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03949	3.3
53.23320	2.2
55.01874	4.3
55.05515	19.7
59.04999	5.4
65.03934	4.9
67.05196	2.5
67.05512	42.3
69.03421	12.0
69.07057	10.8
71.04967	5.7
71.51728	2.4
79.05486	17.3
81.07058	31.0
83.04981	12.4
83.08632	23.5
84.08150	4.4
85.02888	5.5
85.06530	9.0
87.04462	3.5
91.05466	20.3
93.07043	26.8
95.04980	35.1
95.08611	27.0
97.06538	18.5
99.04424	3.4
105.07040	35.4
107.04938	4.6
107.08600	52.6
109.02760	2.5
109.06538	21.7
109.09480	4.7
109.10162	63.8
111.08057	4.5
113.09631	5.8
117.06998	7.4
119.08582	51.2
121.06471	9.0
121.10155	26.3
123.08070	21.8
123.11691	3.0
125.09663	12.5
129.07002	2.7
130.07747	2.7
131.08585	19.6
133.06505	4.2
133.10133	27.1
135.07990	13.1
135.11674	8.1
137.06024	3.2
137.09619	38.8
141.06972	3.3
142.07773	4.3
143.08546	12.3
143.10626	4.7
145.10141	29.8
147.08051	7.0
147.11642	10.4
149.09619	11.4
151.07568	38.7
151.11186	4.2
153.05484	3.8
153.09097	3.4
155.08626	4.0
156.09314	5.4
157.10112	11.0
159.08058	8.1
159.11716	10.4
161.09647	24.1
161.13229	4.2
163.07590	3.1
163.11153	5.9
165.09106	6.0
169.10103	4.0
171.11674	11.0
173.09602	5.7
173.13264	8.2
175.11188	10.0
177.09111	4.3
179.10622	2.9
181.08569	4.4
183.11737	5.5
185.13280	4.4
186.98996	2.9
187.11098	3.7
189.12741	16.0
191.14175	2.9
193.10156	3.5
195.11893	3.1
195.13799	3.0
197.13206	6.4
199.11221	4.5
199.14864	6.3
201.12738	6.2
203.14354	4.6
207.13751	14.0
213.12675	3.1
213.16254	3.7
215.14392	6.5
217.12230	4.5
217.15950	5.2
221.15349	11.9
225.12700	4.7
231.13741	2.8
233.15346	8.7
237.14835	14.4
241.15793	5.9
243.13791	6.1
259.16943	5.3
285.18417	4.7
299.20013	21.3
317.06552	6.8
317.17554	8.7
317.21091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.99515	0.9
53.03934	2.1
55.01868	2.7
55.05518	9.5
55.24054	0.9
57.07074	5.9
59.05001	4.7
60.04525	1.8
63.28621	0.9
64.52289	0.8
65.03931	1.9
67.05511	42.2
68.64185	0.8
69.03430	2.8
69.07090	4.3
69.65629	1.0
70.06593	1.8
70.25389	3.6
71.04994	1.7
79.05492	6.8
81.03393	1.0
81.07066	22.7
83.04971	1.9
85.06551	2.6
85.47869	0.9
88.07621	1.3
91.05485	11.7
93.07047	14.8
95.04970	23.9
95.08611	15.4
97.06557	4.3
105.07034	12.0
107.04926	1.3
107.07876	1.8
107.08603	33.6
109.06530	13.9
109.10165	83.3
111.08081	2.2
117.07008	3.4
119.05072	1.0
119.08587	48.3
120.25829	0.9
121.06493	3.1
121.10144	4.2
122.07353	1.5
123.08076	16.1
125.05984	1.7
129.07002	1.1
131.08536	5.1
133.06511	2.1
133.10141	7.9
135.08058	8.0
135.11690	1.9
137.05988	2.1
137.09627	65.0
139.07564	1.5
141.06998	1.1
142.07758	1.1
143.08575	4.2
145.10130	6.0
147.08066	5.1
147.11652	3.4
149.09631	2.8
151.07552	37.5
153.05496	4.6
153.06682	0.8
156.09302	2.5
157.10141	3.3
159.08061	1.9
159.11684	4.2
161.09618	7.1
161.13298	2.1
163.07507	1.5
163.11169	3.8
165.09137	4.2
167.07095	2.1
167.08548	1.8
169.10201	2.1
171.11690	3.2
173.09592	2.6
173.13287	2.5
174.10451	1.2
175.11244	1.6
177.09129	3.0
181.08595	5.0
181.10028	1.7
181.12263	2.7
183.11717	3.1
187.11203	1.0
189.12776	14.7
191.06883	1.0
197.13293	2.0
199.11234	2.8
201.12735	2.3
203.14397	1.9
205.12323	1.1
207.13803	13.4
209.13329	1.1
213.12784	1.6
215.14273	2.5
217.12227	2.7
219.13728	2.1
221.15366	2.4
225.12758	1.1
233.15375	1.6
237.14850	5.8
243.13792	7.2
256.26370	3.5
261.14877	4.2
281.19070	2.2
299.20026	9.6
300.67169	0.9
317.21130	100.0
317.28830	3.3
318.21292	1.1
318.29971	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.38567	1.9
55.01868	4.1
55.05513	16.1
56.96550	7.7
57.03424	4.0
57.07059	6.1
59.04995	5.9
67.05508	49.6
69.03413	7.9
69.07082	11.7
69.63906	11.4
71.04974	6.1
79.05501	17.4
81.03419	2.3
81.06607	2.2
81.07062	43.1
83.04968	8.6
83.08624	16.3
85.02897	4.0
85.06533	5.4
91.05486	24.3
93.07049	27.6
95.04966	38.5
95.08611	20.7
97.02914	2.6
97.06548	15.9
98.97569	6.7
99.04424	2.6
105.07031	32.3
107.04945	5.0
107.07884	3.1
107.08603	47.5
109.06517	19.6
109.10163	80.6
111.04427	2.8
111.08073	3.6
113.06021	1.9
113.09622	3.1
115.05470	2.7
116.98625	2.7
117.06998	7.1
119.08585	61.4
121.06506	9.9
121.10148	23.8
123.08079	21.6
123.11684	3.6
125.06003	2.0
125.09617	6.3
128.06165	4.7
129.06964	2.8
131.00151	5.5
131.08540	12.1
133.06421	2.7
133.10136	28.2
135.08057	15.1
135.11702	7.1
137.06010	2.2
137.09628	50.6
142.07784	3.6
143.08556	12.9
145.10126	26.3
146.07181	2.0
147.08041	7.5
147.11703	14.4
149.01251	6.2
149.09645	11.2
151.07545	36.4
153.05469	3.7
155.08530	3.5
155.10713	3.1
156.09349	5.2
157.10115	10.5
158.07245	2.1
158.99646	3.1
159.08063	4.8
159.11702	7.9
161.09607	25.2
161.13249	5.4
162.05484	3.0
163.11185	9.8
165.09125	4.6
167.10733	2.5
168.09305	2.1
169.10101	6.3
171.11656	8.6
173.09602	7.8
173.13316	5.9
175.11183	4.9
175.14757	2.3
177.09088	4.8
177.12756	1.9
179.10684	4.2
181.08565	4.4
181.10069	2.6
181.12305	4.1
182.10945	2.7
183.11681	5.2
185.13284	3.7
187.11229	3.5
187.14877	4.2
189.12770	21.6
191.10678	2.4
191.14249	4.2
195.13692	2.2
197.13258	7.2
199.11163	5.4
199.14763	4.5
201.12689	4.9
203.10667	2.3
203.14375	4.8
207.13785	15.9
211.14839	2.4
213.16435	2.9
215.14288	7.3
217.12154	2.6
217.15813	3.1
221.13338	3.4
221.15387	7.0
223.14902	3.1
224.08067	5.9
225.12740	3.3
229.07481	4.6
233.15421	7.3
237.14737	11.1
241.15816	6.0
243.13795	8.6
253.19402	2.8
259.16986	6.7
261.14789	4.1
271.20511	3.6
275.19934	2.5
281.18863	5.2
299.19995	19.0
317.17636	6.8
317.21100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2115
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03946	1.4
54.46478	0.6
55.01865	2.9
55.05520	11.8
57.03435	1.3
57.07074	4.9
59.05006	4.6
60.04531	4.1
61.79901	0.7
62.45089	0.7
65.03938	1.7
67.05512	46.9
69.03438	4.1
69.07070	4.6
69.75877	1.4
69.76289	3.0
71.04992	2.8
79.05509	7.3
81.03420	1.0
81.06594	1.2
81.07069	23.4
83.04991	2.4
83.08638	0.8
85.02901	1.2
85.06547	2.8
88.07680	0.9
91.05487	14.0
93.07051	17.7
93.67551	0.7
95.04977	20.9
95.08621	17.1
97.06548	6.2
101.36248	0.8
103.05524	0.8
105.07044	14.6
106.21494	0.7
107.04963	1.5
107.08604	36.1
109.06529	15.1
109.10168	75.7
111.08088	1.5
117.07029	4.8
119.08593	48.2
121.06524	3.9
121.10149	6.3
122.07307	1.6
123.04475	1.0
123.08090	18.7
125.05988	2.4
128.06253	1.5
129.06981	1.2
131.08589	6.4
133.06509	4.1
133.10147	7.6
135.04492	0.9
135.08072	8.2
135.11684	1.9
137.06018	1.7
137.09633	62.8
139.07532	1.2
142.07811	1.6
143.08592	5.3
145.06487	0.9
145.10135	7.6
147.08107	3.8
147.11671	4.3
149.05995	0.8
149.09689	4.3
151.07559	47.7
153.05470	5.7
153.09138	1.3
155.08620	2.1
155.31708	0.8
156.09370	2.7
157.10214	3.6
159.08084	2.9
159.11690	5.3
161.09647	7.6
161.13269	1.4
163.07578	2.4
163.11156	3.7
165.09154	5.7
167.07117	1.3
167.08537	0.9
169.10150	2.3
171.11696	5.2
172.08907	1.0
173.09642	3.0
173.13284	2.6
173.96956	0.7
174.10327	1.1
175.11139	2.0
177.09128	3.1
179.10696	1.9
181.08629	4.4
181.10095	1.5
181.12260	2.5
182.10909	1.4
183.11752	3.4
184.08900	0.8
185.09592	0.9
185.13275	1.3
187.14793	1.0
189.12772	20.3
191.10744	1.3
191.14256	1.3
192.11401	1.4
195.11752	1.2
197.13251	2.7
199.11261	3.6
201.12770	1.9
203.14314	2.2
207.13806	20.7
211.15027	0.9
213.12830	1.7
215.14374	2.8
217.12222	2.2
219.13857	1.8
221.15369	2.9
223.15083	1.0
225.12791	2.2
231.13834	1.6
233.15390	2.3
237.14882	3.9
243.13869	8.1
248.15730	0.8
256.18051	0.9
257.19009	1.4
261.14877	3.9
281.19019	2.8
299.19989	11.0
317.21149	100.0
318.21625	1.8
318.30069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03954	1.0
55.01864	2.9
55.05517	12.0
57.03424	1.0
57.07085	6.1
59.05013	4.8
60.04525	11.3
61.04870	2.0
65.03945	2.3
67.05506	51.6
69.03427	5.4
69.07075	5.8
70.13611	4.2
71.04984	2.6
79.05515	8.0
81.03463	1.2
81.07057	26.6
83.04974	1.4
85.06542	3.0
91.05479	14.9
93.07054	16.3
95.04980	23.9
95.08612	20.6
97.06525	4.4
103.05441	1.1
105.07045	13.7
107.04996	1.5
107.08601	38.4
109.06519	14.8
109.10162	90.9
110.43175	1.0
111.08064	1.3
117.07020	4.2
119.06100	1.3
119.08586	56.8
121.06515	4.4
121.10137	3.6
122.07271	1.2
123.04472	1.3
123.08070	20.2
125.06017	2.3
129.07016	1.0
131.08571	5.1
133.06480	2.5
133.10135	7.5
135.08084	8.0
135.11665	1.7
137.05968	1.7
137.09622	77.7
139.07544	2.0
142.07813	1.7
143.08551	3.0
145.10112	6.6
147.08051	3.9
147.11696	3.3
149.09592	4.8
151.07555	47.0
153.05513	6.4
153.09145	1.5
155.08586	1.6
156.09299	2.1
157.10112	2.9
159.07988	2.3
159.11682	5.0
161.09633	6.9
161.13300	1.6
163.07501	2.0
163.11186	4.2
165.09140	4.2
167.07060	3.1
167.08427	1.0
168.09450	1.1
169.10117	1.9
171.11749	4.7
173.09601	1.9
173.13251	4.5
175.11162	2.9
176.11940	1.1
177.09157	2.2
181.08585	3.8
181.10019	1.2
181.12256	3.0
183.11705	2.3
185.13199	1.9
189.12749	21.6
191.14307	1.5
197.13281	3.2
199.11208	3.3
199.69031	1.2
201.12755	1.9
202.13470	1.2
203.14436	2.0
207.11899	2.0
207.13789	17.3
209.89352	0.9
213.12715	1.6
215.14294	2.8
217.12292	2.0
219.13850	2.5
221.15428	2.2
225.12653	1.9
233.15343	2.5
237.14851	5.2
239.18015	1.6
243.13852	9.0
257.18997	1.0
261.14850	4.7
277.41388	1.1
281.18927	2.9
299.20013	12.4
299.27686	1.1
317.21127	100.0
317.28751	6.5
318.21298	2.1
318.29837	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03925	1.3
55.01870	1.2
55.05518	4.0
57.07062	1.2
59.05011	2.1
65.03922	2.0
67.05500	7.9
69.03436	5.5
69.07064	9.2
69.24647	2.6
69.25069	4.5
71.04951	1.0
79.05497	7.6
81.07051	8.7
83.04981	2.1
83.08598	3.1
84.08134	0.9
85.02899	1.4
85.06551	1.4
91.05488	13.5
93.07044	23.3
95.04968	100.0
95.08607	6.5
97.06553	4.3
103.73794	0.8
105.07035	12.0
107.04961	1.3
107.08594	17.0
109.06502	4.2
109.10158	4.7
111.11700	1.6
115.05452	1.0
116.06221	2.3
117.07022	1.6
119.04892	1.9
119.08575	8.2
121.06506	11.2
121.10149	30.8
123.04448	0.8
123.08062	2.6
123.11690	2.2
125.09602	2.6
128.06180	1.3
129.06989	3.6
131.08569	16.2
131.36365	0.8
133.06413	1.3
133.10165	5.3
135.08073	4.8
135.11703	1.3
137.09613	2.4
139.11160	1.9
141.06944	1.0
143.08568	2.2
145.10106	3.6
147.08089	2.7
147.11670	2.6
148.35472	0.8
149.09622	15.1
153.09157	1.1
155.08554	1.4
157.10147	4.1
159.08054	24.8
159.11682	1.8
161.09669	4.2
161.13264	1.3
167.10680	52.1
169.10106	1.4
171.11644	2.6
173.09706	1.1
173.13271	2.3
175.11188	2.8
177.09102	6.1
182.10921	1.1
183.11708	1.6
185.13148	1.1
189.12721	2.4
191.14302	1.0
194.06561	0.9
197.13220	1.5
199.11234	1.1
207.11758	1.1
207.55180	0.8
211.14891	1.4
215.14290	2.6
225.12758	1.5
233.15384	8.7
243.13782	0.9
259.16937	2.7
275.15875	0.8
281.19083	4.1
299.16846	1.5
299.20038	5.0
299.22882	0.8
317.17450	3.4
317.21097	13.4
317.24713	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
57.46521	0.5
58.99576	1.0
66.38753	0.6
67.05489	1.0
69.94740	3.2
70.06596	2.4
72.08150	2.0
79.05486	2.4
81.07069	3.6
84.04484	0.8
84.08166	2.8
85.02923	0.8
86.09717	3.8
88.04018	0.7
90.24525	0.6
91.05490	2.1
93.07036	5.7
98.06053	0.8
98.09669	0.7
98.20856	1.2
105.07028	1.6
107.04952	1.0
107.08589	2.7
109.06523	1.8
109.10306	0.6
110.06015	1.1
120.08089	0.9
121.10146	6.6
123.04425	1.9
123.11684	1.4
125.06036	0.8
126.09148	1.0
130.06541	0.9
131.08575	2.7
132.08115	1.2
132.99567	3.2
137.09636	0.7
138.09207	0.5
139.06369	0.7
142.06549	2.2
149.09624	17.1
154.08636	100.0
157.07616	1.5
159.09192	5.1
160.09904	0.5
165.09145	0.9
167.05292	0.6
167.10684	5.1
177.09103	20.9
185.07182	1.0
189.09070	1.2
191.80318	0.7
192.10275	1.3
193.06888	0.7
195.10175	31.2
253.08987	0.9
257.07898	0.7
269.08316	0.7
270.08560	0.8
270.11578	16.3
271.09875	1.4
273.25290	0.7
299.09485	9.2
299.12585	0.8
316.12143	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03936	0.1
65.03946	0.8
67.01837	0.1
67.05510	0.2
68.99793	0.4
69.03428	0.2
69.07066	0.2
70.06558	0.1
71.52483	0.2
71.52889	0.2
79.05514	0.2
81.03410	0.1
81.07053	0.5
83.04987	0.1
84.04518	0.1
85.02892	0.2
91.05465	0.3
92.02619	2.5
93.03409	2.6
93.07051	0.4
94.04178	0.1
95.01309	0.1
95.04968	0.3
95.08601	0.4
97.02869	0.2
97.06551	0.1
97.19407	0.1
99.00811	0.2
105.07021	0.3
107.04961	0.2
107.08585	0.2
109.02875	0.3
109.10219	0.2
110.79872	0.1
111.00784	0.4
117.06974	0.2
119.08562	0.3
120.02103	0.1
121.02864	2.1
121.10143	0.2
122.03680	0.3
123.04361	0.1
126.03131	1.0
127.03974	0.1
128.06233	0.1
131.04947	0.2
131.08653	0.2
133.02815	0.2
133.10132	0.3
135.07967	0.1
137.02330	0.6
137.05971	0.1
138.09081	0.1
139.03897	1.7
145.06479	0.2
147.04427	0.2
147.11772	0.2
149.02342	0.2
151.03918	1.2
151.05003	0.2
152.01053	0.1
153.01831	15.7
155.04936	0.3
155.93080	0.1
161.09613	0.2
163.03920	0.3
165.01854	1.1
165.05513	0.1
165.12874	0.1
166.02667	0.3
170.02119	0.1
173.05962	0.4
176.04808	0.1
177.05522	0.4
179.03354	0.3
183.02963	0.3
183.04405	0.2
187.03946	0.3
189.05441	0.1
190.02737	0.2
190.06271	0.2
191.03439	0.1
192.04118	0.2
193.47787	0.1
200.04657	0.6
201.05463	1.3
203.03342	1.4
204.04128	0.2
211.03917	0.1
217.04968	2.6
218.05722	1.2
219.02928	0.5
225.11287	0.1
228.04170	3.1
229.04967	6.0
231.02902	0.9
233.04608	0.1
233.07942	0.1
236.02747	0.1
239.03339	0.2
243.06570	0.3
245.04478	3.2
246.05226	2.9
247.02501	0.1
256.03601	0.5
257.04459	4.1
260.03210	0.7
261.07620	0.4
263.16418	0.1
271.06027	0.3
273.03925	2.9
274.04712	6.4
274.45514	0.1
284.03259	0.8
285.03934	6.9
286.04562	0.2
287.01810	0.2
288.06204	0.4
299.09903	0.2
299.15033	0.2
301.03500	0.4
302.04211	19.7
317.06552	100.0
318.06909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05508	0.6
57.03432	1.7
61.02925	1.9
61.71249	0.6
61.80375	0.5
62.06085	0.7
69.03429	3.6
69.18668	1.3
69.19073	4.5
70.06595	1.7
71.04997	13.3
73.02914	0.7
76.02233	0.8
77.26243	0.6
81.03427	1.3
84.04510	7.9
85.02910	16.3
89.06037	100.0
90.05537	1.2
94.89427	0.6
97.02887	6.4
98.21463	1.4
99.04463	3.7
109.02879	1.5
113.44879	0.6
117.05521	2.0
121.02885	1.1
122.03236	1.0
127.03920	2.4
130.05035	3.8
135.06540	38.3
136.06184	6.8
136.50368	0.5
140.81050	0.6
145.04991	2.6
153.88658	0.7
186.05530	0.9
231.04410	1.2
232.06007	0.8
235.01971	0.8
250.07198	0.7
297.11884	0.6
314.09229	0.7
314.13086	0.6
314.18259	1.4
323.48798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28687	1.3
60.02840	1.2
69.03423	2.3
69.71178	1.3
70.06586	2.9
71.51577	1.7
72.08158	3.2
73.06559	54.0
84.04496	2.0
85.02905	10.9
86.09699	1.7
89.06036	22.2
97.02884	4.2
98.97599	1.5
105.07072	1.5
111.97836	1.3
116.07091	3.1
117.09123	4.1
122.96035	1.4
127.03928	2.9
132.10181	1.6
135.10175	100.0
136.06186	4.3
152.01700	2.0
152.07040	3.2
219.23105	1.3
305.58206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2531
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.03919	1.6
53.47600	1.5
55.05511	13.3
57.07077	4.9
59.33910	1.8
65.03944	2.3
67.05505	76.5
69.07069	15.8
70.96380	3.0
71.04982	3.3
78.50296	1.5
79.05482	13.7
81.07057	81.4
83.04974	2.9
83.08623	11.7
85.06533	2.9
91.05481	9.4
93.07056	16.8
95.04984	3.4
95.08609	100.0
97.06538	3.9
97.10152	6.4
105.07032	10.0
107.08601	16.8
109.06513	3.0
109.10161	45.4
111.11797	2.6
113.09645	16.3
117.07018	3.8
119.08578	6.1
121.06480	3.4
121.10144	11.1
123.11707	15.8
131.08583	7.1
133.10124	7.7
135.08076	11.6
135.11673	9.5
137.09544	1.8
137.13248	6.6
141.08974	1.7
143.08630	2.5
145.10118	4.9
147.08020	2.2
147.11693	6.7
149.09644	2.4
149.13263	6.0
151.07483	2.2
153.12698	2.1
159.11662	5.7
161.09576	3.2
161.13274	3.8
163.14798	2.2
165.12709	3.1
173.13237	4.2
177.12733	3.4
179.14301	3.6
181.12231	2.2
187.14888	2.4
191.32329	2.2
195.13824	6.8
197.13321	1.7
209.15436	5.8
211.14931	2.4
223.16982	2.5
243.21060	5.6
261.22083	6.7
273.18378	1.7
279.23190	26.9
297.18564	2.2
297.24237	4.2
315.16064	2.4
315.19547	13.8
315.22891	3.2
315.26971	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.9636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97374	0.2
54.98661	0.4
55.51848	0.3
56.96570	10.9
70.06588	0.4
71.52699	0.7
71.95273	3.6
98.97591	100.0
99.97924	0.4
101.95074	0.6
113.96385	0.3
115.81957	0.3
116.98629	56.8
134.99669	19.3
136.06180	0.7
140.00211	6.3
142.85767	0.3
153.00693	1.5
158.01262	3.4
160.98717	0.4
181.02872	0.4
188.91592	0.6
206.92709	0.6
213.92395	0.3
230.92691	0.8
236.98686	0.6
248.93689	3.7
262.89578	0.3
266.94702	0.9
272.90686	0.4
272.93698	14.9
290.94754	62.8
291.94992	0.5
308.95804	9.1
313.27515	0.5
313.96326	9.6
314.13934	0.5
331.97424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.03939	4.9
55.01862	6.7
55.05512	45.4
57.03423	6.0
57.07069	6.3
59.04983	4.1
62.60799	2.6
65.03931	2.8
67.05508	100.0
69.03407	7.0
69.06734	3.3
69.07074	45.0
69.79617	2.4
69.91695	2.4
71.04992	18.9
71.53379	2.6
73.06574	2.8
79.05499	60.5
81.03407	6.1
81.07060	85.7
83.04980	13.0
83.08625	24.5
85.06552	17.1
88.65266	2.7
91.05484	37.7
91.34173	2.6
93.07045	92.7
95.04958	12.1
95.08610	75.5
97.06528	15.2
97.10172	29.8
99.08073	8.2
105.07037	26.8
107.04939	4.0
107.07863	4.5
107.08592	54.8
109.06516	5.9
109.10168	38.3
111.08081	10.9
111.11716	2.6
113.09631	4.0
115.05457	2.7
115.07534	3.3
117.06989	6.9
119.08588	20.9
121.10152	81.1
123.08058	6.4
123.11694	9.7
125.09634	19.9
129.06996	8.3
131.08612	12.4
131.24388	2.4
132.91806	2.8
133.10135	24.8
135.08020	6.7
135.11699	56.5
137.06012	4.8
137.09630	6.7
137.13275	3.5
139.11174	14.8
143.08508	2.7
145.10106	10.7
147.11682	11.0
149.09645	3.5
149.13246	20.7
151.03902	3.0
151.07610	3.7
153.12769	2.6
157.10110	3.9
159.11697	10.0
161.13252	10.7
163.11217	4.7
163.14796	4.4
165.12721	3.3
167.10622	4.1
171.11694	8.9
173.13252	5.3
175.03879	2.7
175.14793	5.0
177.12732	2.9
181.12256	5.0
185.13307	6.0
189.11180	6.3
189.12732	3.8
195.13770	7.1
203.12778	10.5
221.11751	2.6
221.15392	4.8
231.21030	2.9
241.19525	9.8
259.20566	34.0
276.23572	3.1
277.21655	83.4
281.12711	3.3
295.22681	32.3
313.10782	4.8
313.17673	4.6
313.23831	8.8
313.27274	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	313.2372
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
53.03934	2.9
55.01869	1.8
55.05516	11.2
57.03431	1.7
57.07074	5.8
67.05506	17.1
69.03446	1.5
69.07070	10.5
69.85348	1.7
69.85744	1.1
71.04984	2.6
71.08630	0.7
79.05495	12.1
81.03419	7.5
81.07053	18.2
83.04989	6.1
83.08607	4.4
85.02917	0.8
85.06527	1.4
85.10183	11.5
91.05482	10.3
93.07048	11.8
95.04985	8.9
95.08067	1.0
95.08617	9.7
97.06520	1.5
97.10181	4.3
105.07039	8.7
107.04951	0.8
107.08604	9.8
109.06526	3.1
109.10161	11.2
111.08122	0.9
113.09640	7.5
113.36712	0.7
115.05405	0.7
117.07020	1.6
117.62734	0.7
119.08596	4.8
121.10133	5.1
123.08035	2.3
123.11742	3.5
125.05988	0.7
125.09650	2.6
129.07021	1.4
131.08571	2.8
133.10129	6.2
135.08101	1.2
135.11668	3.0
143.08556	1.4
145.10106	2.9
147.08069	0.7
147.11693	3.8
149.09616	3.1
149.13278	1.1
151.11169	4.4
153.12668	1.0
155.08517	0.8
157.10072	1.7
159.11679	1.3
161.09593	0.9
161.13283	2.3
163.11180	1.5
165.12749	15.0
169.12204	1.1
171.11708	2.1
173.13245	0.9
175.11046	0.9
175.14851	0.9
179.14342	1.9
207.13742	1.5
259.20627	1.9
277.21634	29.6
295.22693	100.0
313.18021	1.3
313.21518	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	313.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01884	2.2
55.05518	10.2
57.03429	2.2
57.07075	7.1
57.20127	1.1
65.03938	3.0
67.05509	14.2
69.07082	8.5
69.73846	6.6
71.04987	3.5
71.08641	3.6
79.05492	11.9
79.08659	1.1
81.07072	16.1
83.04974	4.8
83.08633	3.5
85.06558	2.7
85.10172	2.1
91.05486	100.0
93.07050	21.1
95.05001	6.7
95.08605	13.6
97.06552	2.5
97.10175	2.1
101.06014	2.6
103.05449	2.4
105.07031	27.8
107.04955	1.5
107.08604	16.2
109.06534	3.2
109.10145	11.1
111.08041	1.7
111.96350	1.2
113.06007	2.2
117.07027	6.3
119.08588	18.7
121.06570	1.7
121.10155	35.1
123.08081	4.0
123.11695	5.8
125.06021	10.0
128.06218	2.2
129.07022	4.1
130.07796	2.8
131.08566	10.0
133.06520	1.8
133.10133	16.2
135.08084	2.8
135.11687	6.4
141.06946	1.8
142.07828	8.5
143.08580	9.8
145.10132	18.2
147.08037	1.5
147.11679	6.0
149.02345	31.0
149.09663	2.1
155.08559	4.2
156.09326	1.8
157.10149	17.4
159.08044	1.7
159.11685	7.1
161.09610	9.2
161.13251	1.9
163.11269	1.4
165.09128	1.9
169.10109	6.9
170.10968	1.8
171.11671	7.5
173.09691	3.6
173.13297	6.8
175.11177	2.8
175.14807	2.9
179.08568	2.3
181.10132	2.6
183.11716	6.8
185.13286	6.0
187.14934	2.1
191.10652	3.5
193.10176	1.4
193.12259	1.3
195.11722	4.2
196.12346	1.1
197.13271	4.8
199.14809	9.7
201.12729	1.4
203.14388	2.3
206.10983	2.8
207.11699	1.5
209.13278	5.6
211.14880	4.1
213.12869	1.8
213.16360	3.1
219.13725	1.6
221.13290	4.2
223.14812	2.0
224.15633	1.6
235.14894	2.0
237.16338	2.5
239.14299	2.9
239.17995	3.4
253.19424	1.6
257.15317	2.1
265.19537	2.6
267.21136	1.8
277.19470	3.3
295.20673	5.5
313.18265	2.2
313.21664	27.2
313.27386	12.8
313.33075	2.2
313.36804	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	313.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01863	1.1
55.05498	3.2
57.03419	1.0
57.07081	6.7
59.04997	5.2
67.05505	4.5
69.03431	9.1
69.07057	1.8
69.22870	5.0
69.23287	1.9
73.06567	1.8
75.04479	10.5
78.72186	0.8
79.05486	5.1
81.03409	1.3
81.07061	10.2
83.04980	3.8
85.02893	2.2
85.06538	3.7
91.05474	6.5
93.07050	8.1
93.96358	0.9
95.04984	5.1
95.05495	0.8
95.08609	8.4
97.02890	2.3
97.06525	2.2
99.04449	1.7
99.08104	2.1
100.44378	0.8
101.06035	1.2
101.38791	0.7
103.05468	1.1
105.07034	12.9
107.04958	2.0
107.08559	6.9
108.05671	0.9
109.02851	1.1
109.06524	4.5
109.10143	3.8
111.04420	2.1
111.08070	0.9
115.07553	9.5
117.05479	2.3
117.07001	2.6
119.08586	15.6
120.31103	0.8
121.06508	5.9
121.10143	11.4
122.07310	1.1
123.04485	0.9
123.08067	24.6
125.06030	4.2
127.03908	2.1
129.05486	1.4
129.06979	3.0
130.07777	1.0
131.08533	4.4
133.06519	6.3
133.10165	5.6
135.08066	4.2
135.11684	3.8
137.05951	1.8
137.09639	4.9
142.07764	1.2
143.08578	3.1
145.06558	1.0
145.10107	7.5
147.08049	22.5
147.09221	1.1
147.11681	1.9
149.05986	5.5
149.09569	4.2
151.07547	68.7
153.09123	1.1
155.20053	1.0
156.09325	2.0
157.10095	2.7
159.08081	1.6
159.11671	2.4
161.09581	4.3
161.13258	2.6
163.07527	5.1
163.11205	3.6
165.09123	8.9
170.10883	1.7
171.08110	0.9
171.11694	3.0
173.09688	4.2
173.13252	1.5
174.10349	1.4
175.07588	6.0
175.11124	1.3
175.14839	1.8
179.10655	2.6
181.08617	1.5
181.12234	2.8
185.09644	1.5
185.13268	6.1
187.11201	2.3
188.11761	0.9
189.09157	2.3
189.12752	13.1
192.11465	3.7
193.08617	40.7
195.11700	2.8
195.13594	1.1
203.10690	1.4
203.14360	6.2
205.12376	1.0
207.10274	6.7
207.13814	31.6
213.12779	10.8
214.87540	1.0
221.11642	1.6
221.15337	6.9
221.17278	0.8
225.11217	1.7
231.13791	19.9
235.17020	1.8
239.12752	1.8
245.15332	8.1
249.14864	100.0
263.16452	8.4
281.17493	23.2
295.15796	1.8
295.19064	9.3
313.10608	1.2
313.16699	3.0
313.20078	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	313.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.7
53.03933	0.9
55.05473	2.5
57.03408	1.8
57.07035	6.7
59.05000	4.4
67.05512	5.6
69.03441	7.6
69.07025	2.4
70.06573	1.7
70.19627	0.7
71.08578	1.4
71.52531	1.1
73.02888	0.8
73.06529	2.0
75.04490	11.2
79.05511	4.3
81.03399	0.9
81.07058	11.7
83.04938	2.4
83.08588	1.6
85.02855	0.9
85.06511	2.6
86.09724	0.8
91.05486	8.6
93.07054	8.0
95.04970	6.8
95.08620	9.0
97.02854	2.5
97.06512	1.7
99.04419	1.3
99.08064	1.1
101.05982	2.3
103.05442	0.9
105.06433	0.9
105.07045	12.3
107.04924	1.7
107.08602	4.7
109.06525	3.4
109.10171	4.0
111.04395	3.4
111.08047	1.8
113.05958	0.9
115.05511	0.9
115.07586	11.1
117.05469	1.4
117.06983	3.1
119.04901	1.2
119.08593	13.6
121.06519	6.8
121.10157	12.4
122.07253	0.9
123.04444	0.8
123.08075	23.4
125.05999	4.0
127.03853	2.0
128.06177	1.0
129.05466	1.9
129.06970	3.0
130.07762	0.9
131.08516	3.3
132.05614	0.7
133.06544	6.4
133.10162	5.8
135.08047	5.0
135.11685	4.6
137.05968	1.4
137.09613	3.9
139.07425	1.1
139.11156	1.3
142.07777	0.9
143.07071	0.7
143.08559	3.7
145.10162	6.8
146.07246	1.4
147.04346	1.2
147.08054	21.5
147.11644	1.8
148.04726	1.1
149.05980	5.9
149.09645	5.1
151.07552	65.6
153.09084	1.0
156.09331	1.6
157.06451	0.9
157.10085	3.2
159.08015	2.3
159.11682	2.6
161.08334	0.9
161.09605	2.4
161.13245	3.3
163.07553	6.7
163.11218	3.6
165.09119	8.2
170.10875	2.5
170.15382	2.1
171.08017	1.3
171.11676	3.7
173.09717	3.5
173.13284	1.3
175.07596	7.4
175.11148	1.7
175.14848	1.8
178.09814	1.3
179.10646	2.3
181.08611	1.7
181.12305	2.3
185.09631	1.1
185.13220	4.9
187.11189	2.1
189.09119	1.8
189.12752	13.2
192.11429	2.4
193.08623	39.8
195.10149	1.0
195.11848	1.4
198.10463	1.3
198.14929	5.0
203.14287	5.5
205.12251	1.6
207.10239	5.8
207.13800	24.6
213.12787	11.7
221.15424	5.1
225.11113	0.9
226.14391	2.4
231.13812	17.3
245.15436	7.3
249.14876	100.0
250.15292	0.9
263.16437	8.8
264.91193	0.8
281.12979	1.1
281.14075	1.1
281.17480	21.7
295.19064	8.2
313.20148	34.7
313.27740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51425	0.7
55.01878	1.3
55.05505	2.4
56.79705	0.7
57.07076	4.2
59.05004	5.3
67.05508	3.8
69.03426	8.8
69.07063	1.3
70.26130	2.9
73.02906	1.9
73.06550	2.4
75.04491	5.3
79.05494	3.8
81.07076	8.1
83.04973	3.2
85.06535	3.1
91.05479	6.0
93.07040	5.7
95.04983	4.5
95.08638	4.8
97.02884	1.8
97.06547	0.9
101.06051	0.8
105.07038	10.2
107.04945	1.2
107.08583	3.5
109.06516	3.6
109.10179	2.5
111.04462	1.0
111.08038	0.8
115.07581	17.9
117.07036	1.9
119.08595	12.4
121.06512	6.9
121.10138	5.2
122.07336	1.2
123.08078	29.9
125.06002	2.3
127.03889	1.0
128.06287	0.9
129.05519	1.4
129.07016	2.7
131.08585	2.8
133.06487	8.0
133.10124	5.7
134.10977	0.8
135.08069	4.9
135.11705	1.6
137.09618	5.1
143.08598	2.1
145.10138	4.2
146.07265	0.8
147.08063	19.7
149.05986	6.4
149.09656	6.1
151.07559	67.3
151.11131	1.4
153.09125	0.8
156.09296	1.4
157.10139	1.4
159.08064	1.1
159.11725	2.6
161.09650	3.5
161.13281	2.7
163.07571	5.4
163.11159	2.1
164.40231	0.9
165.09132	10.6
170.10962	1.6
171.11694	3.0
173.09688	1.8
173.13261	0.8
174.10468	1.0
175.07585	5.7
175.11169	1.5
177.09193	0.8
177.12672	0.9
178.09982	0.9
179.10727	2.8
181.08572	1.6
185.09615	0.9
185.13185	4.5
187.11264	1.6
189.09152	1.1
189.12753	12.2
191.10765	1.2
191.14291	1.1
192.11461	2.9
193.08614	43.3
195.10126	0.9
195.11729	2.3
203.14268	7.2
205.12296	1.1
207.10342	5.8
207.13818	40.8
213.12775	10.4
221.15361	8.3
225.11136	1.9
231.13821	18.3
239.12747	1.2
245.15453	2.2
249.14880	100.0
257.33017	0.8
263.16418	9.4
281.17493	25.2
295.19113	16.9
313.20111	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03939	1.4
55.01865	1.5
55.05515	40.8
57.03162	0.8
57.03440	16.6
57.07079	20.9
67.05511	7.2
69.07071	46.2
71.05004	0.8
71.08632	12.2
79.05491	5.6
81.07059	11.0
83.04977	1.6
83.08624	38.2
83.80232	0.5
85.06521	0.7
85.10188	4.9
91.05488	2.8
93.07050	6.2
95.08614	6.1
97.06534	4.3
97.10173	25.5
98.21526	1.5
105.07025	1.0
105.62374	0.5
107.08598	3.9
109.06516	0.6
109.10155	3.0
111.04462	1.0
111.08078	3.3
111.11734	7.6
119.08588	0.7
121.10149	6.4
123.11713	1.4
125.05865	0.6
125.09634	1.3
125.13268	1.9
127.17870	0.6
131.08578	1.0
133.10138	1.6
135.04420	1.4
135.11745	4.2
137.13252	0.6
139.11147	0.8
139.14816	0.7
145.10182	0.9
149.13226	3.0
153.05496	0.6
153.12689	0.9
163.11270	0.7
163.14839	0.9
209.11691	3.8
219.21118	1.9
229.19635	0.7
237.11311	2.6
237.22057	0.9
255.12366	0.8
264.46652	0.5
275.20160	0.9
284.62918	0.6
311.25830	100.0
312.26178	1.2
331.45621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.01841	0.9
55.05474	1.8
56.96532	0.8
57.07076	5.0
59.05004	5.0
65.03894	0.7
66.23303	0.5
67.05510	3.7
69.03436	8.0
69.07035	2.2
70.21884	2.2
73.06516	2.3
75.04485	3.0
79.05497	3.5
81.07062	6.5
82.71297	0.7
83.04935	2.2
83.08586	0.6
85.02882	0.5
85.06525	1.4
91.05482	5.4
93.07049	6.5
95.04967	4.2
95.08609	6.7
97.02898	1.3
97.06509	1.3
98.20716	0.8
101.05950	0.6
105.06431	0.7
105.07037	10.5
107.04910	0.9
107.08604	3.4
109.06498	3.2
109.10166	2.8
109.84504	0.5
111.04393	1.0
111.08081	1.0
115.07571	14.1
117.07030	2.7
119.08583	13.1
120.93678	0.5
121.06493	5.6
121.10152	3.7
123.04407	0.7
123.07244	1.2
123.08070	17.5
123.11582	0.6
125.05946	2.5
129.06946	1.7
131.08519	1.9
133.06496	5.5
133.10149	3.9
135.08032	4.0
135.11665	1.8
137.05946	0.9
137.09612	4.0
139.07529	0.9
142.07770	0.9
143.08548	1.8
145.10086	3.0
147.08049	25.0
147.11687	1.5
149.06003	6.0
149.09650	2.9
151.07547	46.9
151.11168	1.5
156.09322	0.9
157.10132	2.1
159.08023	0.7
159.11662	1.9
161.09610	2.4
161.13216	2.4
163.07533	6.8
163.11133	1.3
165.06982	0.6
165.09125	11.5
165.12733	0.8
170.10887	1.6
171.07974	0.8
171.11665	2.4
173.09621	1.7
173.13213	0.6
174.10335	0.7
175.07568	3.9
175.11156	1.3
175.14836	1.2
177.09116	0.9
178.09883	1.1
179.10628	2.1
179.11967	0.7
181.08533	0.8
185.13255	3.0
187.11118	1.0
188.12022	0.7
189.09053	1.1
189.12737	9.2
191.10692	0.7
192.11478	1.0
193.08609	45.7
195.10088	1.3
195.11636	1.4
199.14993	0.6
203.14313	7.1
207.10205	5.4
207.11887	1.2
207.13786	16.6
213.12727	6.0
217.15926	0.8
221.15370	9.7
225.11238	1.1
231.13803	12.8
235.16985	0.7
239.12767	0.7
241.11125	0.6
245.15431	1.2
249.14864	100.0
253.11116	1.6
263.16418	6.8
271.12183	2.0
272.08487	0.9
277.18066	1.0
277.21643	0.9
281.17477	23.5
295.19043	18.7
295.22363	1.1
313.20114	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03939	4.0
55.01877	3.8
55.05518	22.5
55.59544	2.0
57.03424	4.2
57.07075	5.5
65.03934	3.3
67.05513	37.4
69.07071	53.4
69.15884	22.3
71.04999	3.2
77.03903	2.5
79.05496	25.6
79.80865	2.2
81.03436	3.6
81.07068	42.5
83.05006	2.8
83.08620	14.3
83.55067	2.4
91.05488	41.5
93.07050	100.0
95.04983	61.0
95.08616	97.7
97.06531	31.6
97.10153	4.9
105.07032	66.6
107.08595	47.8
109.06518	17.0
109.10157	35.7
115.05470	3.1
117.07018	18.2
119.08591	61.3
121.06509	16.1
121.09323	4.8
121.10154	49.7
123.08068	19.2
123.11723	15.0
129.07027	5.8
130.07788	6.4
131.08591	25.3
133.10143	36.0
135.04393	2.5
135.08128	12.0
135.11700	16.6
137.09647	4.2
137.13274	4.2
142.07776	9.2
143.08563	13.2
144.09349	4.8
145.10123	38.3
146.10832	2.6
147.08012	2.8
147.11691	20.3
149.09636	4.3
149.13277	4.6
155.08588	4.4
156.09357	4.6
157.10159	26.3
159.08083	4.6
159.11707	50.0
161.09659	6.5
161.13235	14.4
163.11269	3.6
169.10101	11.4
170.10907	2.5
171.11647	14.4
173.09666	3.8
173.13249	13.0
175.14868	16.7
177.16396	22.2
183.11729	6.4
185.13243	8.4
187.11191	5.6
187.14839	7.5
189.16446	14.0
195.11639	5.8
197.13280	6.7
199.14827	7.0
201.16405	10.8
203.17999	4.7
211.14790	6.4
213.16394	5.7
215.17960	6.5
219.17438	5.3
223.14746	4.7
227.17999	2.5
237.16376	4.8
239.18103	2.4
255.21016	5.0
267.21252	2.9
293.22708	4.4
311.23697	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03946	4.7
55.01862	8.4
55.05511	28.2
57.03427	3.5
57.07074	4.7
65.03955	1.8
67.05507	63.4
69.03436	6.5
69.06734	2.5
69.07076	30.8
69.11400	1.7
69.66870	1.7
70.06596	3.1
70.60584	4.1
70.60968	3.8
71.04997	3.7
71.08624	2.4
79.05058	3.5
79.05493	32.3
80.05784	2.2
81.03419	5.9
81.07063	61.5
83.04996	12.9
83.08627	21.8
85.02913	5.4
85.06522	5.7
91.05487	30.9
93.07047	38.9
95.04954	14.1
95.08607	45.8
95.65537	1.9
97.06522	11.0
97.10160	10.8
99.08085	6.2
100.11224	3.4
105.07046	34.6
107.04948	7.1
107.08594	42.1
109.06524	14.0
109.10158	27.6
111.04437	4.9
111.08099	10.5
115.05476	1.9
115.35280	1.8
117.07014	13.1
119.08581	32.4
121.06495	5.6
121.10139	22.2
123.04458	2.4
123.08065	9.0
123.11711	7.1
125.05994	3.1
125.09641	32.0
129.06979	4.2
131.08571	18.5
133.06447	3.0
133.10136	27.4
135.08066	9.5
135.11682	12.0
137.05956	5.4
137.09641	9.4
139.07651	2.2
139.11186	3.7
141.07027	3.4
143.08528	2.8
145.10130	16.1
147.08151	3.9
147.11691	16.7
149.02368	2.3
149.09622	16.0
149.13249	4.0
151.07529	4.5
151.11172	6.3
153.09149	5.0
157.10170	5.6
159.08022	3.0
159.11729	15.7
161.09665	5.1
161.13260	8.4
163.11185	8.9
165.09195	2.6
165.12746	4.3
169.10097	2.1
171.11714	4.5
173.11771	7.7
173.13348	6.2
175.11206	5.5
177.09088	2.5
177.12784	4.5
179.07132	2.9
183.11719	2.6
189.11224	4.8
189.12733	2.8
195.10150	3.3
195.13818	2.3
197.04462	5.3
197.13281	2.8
201.12746	3.1
211.14841	2.5
219.08060	2.2
219.10138	3.2
221.08109	3.2
229.19505	3.3
233.15327	2.5
233.18962	2.5
237.11177	2.3
239.17924	6.2
247.20538	4.1
249.18695	2.8
251.16553	2.4
257.19040	18.0
265.21777	2.4
275.20065	100.0
293.21066	27.7
311.12604	4.1
311.18414	2.5
311.22296	3.8
311.29404	2.0
316.44025	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.03151	0.7
53.03932	2.3
55.01625	1.4
55.01870	12.2
55.05512	48.8
57.03452	4.0
57.07074	12.9
59.05015	1.6
65.03925	2.3
67.05502	29.7
68.99775	1.0
69.03423	3.2
69.07066	17.7
69.85989	4.2
71.04994	6.5
79.05493	32.7
79.54333	0.8
81.03407	6.2
81.07053	30.4
82.85714	0.8
83.04492	1.7
83.04976	29.2
83.08620	34.5
85.02899	6.8
85.06518	3.2
91.05476	17.0
93.07046	31.3
93.07636	1.8
95.04968	70.8
95.08607	17.2
97.02899	0.8
97.06530	6.0
97.10174	22.8
98.21487	1.5
99.04446	6.2
99.08089	2.1
101.02406	0.9
105.06410	1.0
105.07037	16.3
107.04957	10.2
107.08591	38.4
109.02855	1.8
109.06507	7.5
109.10157	11.3
111.04441	48.3
111.08070	11.8
113.05963	1.2
117.07012	7.3
119.08575	15.7
121.06506	5.3
121.09346	1.2
121.10147	21.9
123.08068	5.5
123.11690	2.3
125.06007	5.2
125.09634	25.1
127.07548	0.8
129.06979	2.2
131.08568	12.2
133.10121	11.3
135.04379	1.9
135.08060	7.1
135.11688	10.9
137.09593	2.8
139.07491	1.0
139.11197	2.7
141.09082	1.2
143.08536	1.8
143.10660	1.7
145.09056	1.5
145.10129	20.2
147.08058	4.8
147.11694	8.0
149.09624	38.3
153.05464	6.6
153.09084	3.4
153.12755	6.7
155.08554	1.5
157.10133	1.7
159.11700	6.2
161.09616	2.0
161.13257	2.3
163.11179	31.1
165.09091	1.3
167.10693	1.3
169.10110	1.0
171.10168	6.7
171.11554	1.7
173.09595	2.4
173.11812	1.6
173.13252	2.5
175.11160	1.0
177.12761	3.1
181.05064	1.2
181.12227	13.9
187.11171	4.8
189.11218	26.5
191.10652	11.8
191.14362	1.0
193.05103	1.3
193.12244	3.2
197.13206	1.9
205.12306	5.4
209.11729	45.5
211.13242	2.4
219.10237	1.0
223.13286	84.2
227.12708	4.2
229.19473	3.0
237.11215	42.6
237.14929	2.3
238.11438	0.9
239.18042	4.0
247.20554	2.9
255.12236	9.5
257.19025	10.0
274.91660	0.9
275.20050	81.3
276.20477	1.5
293.17630	3.7
293.21091	100.0
294.21442	1.1
311.18457	5.5
311.21899	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	311.2219
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03949	4.5
55.01875	14.9
55.05518	38.8
57.03419	5.5
57.07083	15.6
58.69200	2.8
60.92132	2.6
67.05510	68.1
69.03426	5.3
69.06735	3.6
69.07079	30.9
70.06847	12.9
71.04985	8.9
79.05504	41.6
81.03420	5.2
81.07066	70.0
83.04986	18.7
83.08627	33.9
85.06531	5.7
85.76134	2.4
89.26067	2.6
91.05489	37.0
93.07046	51.1
95.04975	34.9
95.08616	58.0
97.06513	15.0
97.10160	11.9
99.04478	3.0
105.07032	38.7
107.04960	14.2
107.08601	42.2
109.06508	13.7
109.10159	41.8
111.04440	11.8
111.08068	10.5
117.07051	15.8
119.08607	30.5
121.06497	7.4
121.10152	22.1
121.46024	2.6
123.08057	13.4
123.11744	6.8
125.05978	5.1
125.09626	12.8
127.07515	5.4
129.07077	3.9
131.08597	19.7
133.10132	29.9
135.08064	9.6
135.11707	12.8
137.09631	8.0
141.53627	2.8
143.08560	2.9
145.10150	22.5
147.11705	16.0
149.09642	25.1
149.13251	5.0
151.11194	14.3
153.05457	4.5
153.12730	4.1
157.10132	5.4
159.11694	12.3
161.13264	6.6
163.11197	28.5
171.11722	7.0
173.13240	11.1
175.11192	3.9
175.14822	4.8
177.12759	5.2
181.12207	7.2
183.11816	3.2
189.11214	8.5
191.10663	9.7
197.13292	4.8
201.12848	3.6
207.13811	4.6
209.11749	42.7
215.14325	2.7
219.13910	3.4
223.13316	20.2
229.19550	5.7
237.11189	36.6
239.17976	11.5
247.20523	5.3
255.12343	10.6
257.19012	14.5
265.18530	2.6
265.21637	7.3
275.20078	100.0
293.17834	3.7
293.21124	83.0
311.22150	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03939	5.6
53.25809	2.6
55.01867	11.8
55.05275	4.0
55.05513	58.9
57.03427	4.3
57.07080	24.0
63.98062	3.0
65.03943	2.7
67.05180	3.4
67.05508	42.8
69.07070	30.5
69.15726	27.0
70.04057	4.2
71.04976	5.6
71.08612	8.8
74.67675	2.3
79.05500	29.8
81.03406	6.5
81.07063	63.4
83.04493	5.4
83.04984	100.0
83.08642	14.0
85.06515	4.1
91.05489	29.1
93.07055	32.6
95.04977	27.8
95.08611	43.7
97.06554	13.3
97.10161	11.1
99.08074	11.1
105.07031	30.7
107.04944	8.6
107.08600	25.7
109.02874	4.3
109.06506	9.2
109.10148	21.5
111.04449	35.6
111.08070	6.3
117.07022	10.5
119.08588	29.8
121.06496	8.2
121.10155	19.1
123.08095	13.1
123.11678	13.0
125.05995	4.7
125.09632	10.0
129.06969	4.2
131.08568	13.7
133.10139	22.8
135.04416	2.8
135.08040	10.0
135.11687	10.5
137.09634	6.6
139.11171	3.0
141.06972	3.4
143.08572	7.4
145.06473	3.3
145.10117	16.2
147.08075	3.1
147.11757	21.3
149.09613	12.6
149.13304	5.9
153.05486	12.4
153.09050	3.8
155.08549	2.6
157.10114	6.8
159.11699	9.7
161.09596	7.0
161.13246	3.7
163.11180	12.0
165.12741	9.5
169.10136	3.5
171.11726	6.6
173.09546	3.5
173.13255	5.5
175.11160	3.4
177.12761	8.8
181.10213	3.1
181.12254	7.2
183.11713	3.6
185.13272	2.6
187.11223	3.8
189.11247	6.6
191.10666	11.7
193.08534	3.2
195.11731	6.1
195.13574	4.0
197.13206	3.4
205.12094	3.3
209.11726	72.2
209.13646	4.9
215.14250	2.9
219.93695	2.6
223.13257	9.3
237.11214	60.2
237.14764	4.6
247.20595	3.8
255.12350	15.4
257.18967	6.9
265.21600	3.3
275.20074	53.7
293.17535	8.8
293.21048	52.7
311.15762	8.2
311.19632	9.2
311.24725	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	310.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75208	2.2
53.03943	6.0
55.01872	14.0
55.05515	46.4
56.02208	3.2
56.05837	9.9
57.03436	5.2
57.07078	3.5
58.18356	2.0
59.05003	5.8
60.69561	2.4
61.65571	2.1
62.35118	2.7
67.05505	31.9
68.05830	9.3
69.03423	9.3
69.07070	27.3
70.07398	7.2
71.04988	7.3
71.52724	3.3
77.63637	2.4
79.05491	32.5
80.05824	14.2
81.03423	13.2
81.06591	4.6
81.07057	81.7
81.07533	4.4
82.03753	4.8
82.07395	30.0
83.04986	16.8
83.08619	20.6
84.05280	4.9
84.08932	11.6
85.02898	4.6
85.06536	10.0
91.05492	17.8
92.05816	7.3
93.07050	33.3
94.07362	10.0
95.04974	13.5
95.08611	43.7
96.05288	3.9
96.08936	13.5
97.06519	7.9
97.10170	27.1
98.06873	3.4
98.10505	12.7
99.04473	3.8
99.08074	3.0
105.07037	20.5
106.07363	8.1
107.04960	6.2
107.08582	23.7
108.05293	5.8
108.08932	8.5
109.06527	9.8
109.10180	14.3
110.06837	3.4
110.10500	4.9
111.04442	13.8
111.08077	9.4
112.04768	5.9
112.08412	4.7
113.06036	3.2
113.09638	17.4
117.07000	5.9
118.07359	4.3
119.08586	20.2
120.08913	8.8
121.06503	2.7
121.10156	17.1
122.10470	6.1
123.04443	3.0
123.08069	27.1
123.11729	3.3
124.08405	18.2
125.06031	3.7
125.09623	18.9
126.06293	2.1
126.09967	13.9
129.06984	4.0
131.08598	8.2
132.08904	5.9
132.42090	2.1
133.10146	12.4
134.10484	4.1
135.08040	16.5
135.11699	6.5
136.08409	2.9
136.12036	4.6
137.05919	2.5
137.09642	14.5
138.09979	4.8
139.11215	3.4
141.09088	2.4
143.08548	4.8
145.10136	8.9
146.10478	7.5
147.08064	3.3
147.11688	6.6
148.08340	4.9
148.12000	3.2
149.09627	10.0
150.09927	4.3
151.11172	2.7
154.09480	3.1
154.13104	5.0
157.10136	6.7
158.10526	2.7
159.10445	2.4
159.11703	9.7
161.09633	6.7
162.09883	3.1
163.11221	15.8
164.11528	17.1
165.09128	6.4
166.09431	5.9
171.11641	2.8
173.13301	3.5
175.11220	9.2
176.11592	5.2
182.12608	6.7
189.11247	16.2
190.11571	13.3
191.10500	2.7
192.11047	5.9
193.12247	13.4
194.12561	6.1
199.14844	8.1
201.12753	4.5
211.13383	3.6
212.13640	4.0
219.13812	22.8
228.13130	5.2
228.18211	2.8
237.14827	23.3
246.19183	2.6
256.17740	4.6
257.19019	6.6
259.41354	2.4
264.20340	3.9
273.52567	2.1
274.18872	24.0
275.20050	35.5
277.62540	2.0
292.19907	100.0
292.26462	3.1
293.21112	96.2
310.21069	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	310.037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87802	0.6
64.86342	0.6
70.06575	0.7
71.15565	1.3
84.08139	1.3
98.97593	0.8
101.00899	5.9
102.00956	0.7
103.00610	1.2
119.01926	10.4
120.02007	2.3
121.01674	2.0
134.99852	0.9
137.02933	1.6
140.98766	0.8
158.99866	1.9
160.99651	0.9
161.99683	1.1
171.99289	0.6
176.00128	1.7
177.00967	10.5
178.01097	1.0
179.00691	4.7
180.00757	7.4
188.02695	0.6
200.00090	1.8
201.00778	1.0
203.00714	1.4
203.02505	1.1
203.54431	0.7
204.00874	2.0
218.01244	11.6
219.02002	12.0
219.03969	1.4
220.02072	1.4
220.04030	1.6
221.01830	7.4
222.01900	14.5
227.00706	0.9
227.98534	1.1
228.00946	2.2
233.03558	1.5
234.00735	1.0
245.01755	3.1
245.99440	2.0
246.01923	12.4
250.00182	2.2
255.05469	0.6
256.17233	0.6
261.03082	1.3
262.03162	1.0
263.02875	29.8
264.00452	48.4
264.03040	100.0
265.02863	1.0
269.03586	1.1
282.01614	11.2
284.02045	0.6
286.04486	0.9
287.02036	9.9
287.04742	5.6
313.24991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.5
53.11438	0.9
55.01864	2.9
55.05515	13.7
57.03437	2.6
57.07079	11.5
59.05003	5.3
67.05178	1.5
67.05512	19.2
69.03419	4.5
69.07076	47.2
70.06583	1.9
71.05000	2.4
71.08634	1.6
73.06557	1.9
79.05496	13.3
81.03423	1.7
81.07066	86.8
83.04987	4.9
83.08620	10.9
85.02916	1.9
85.06554	7.0
86.64851	1.0
91.05479	8.9
93.07047	20.7
95.04987	5.3
95.08615	31.6
97.06553	7.9
97.10175	2.8
98.97587	1.8
99.08072	3.3
105.07037	8.6
107.04981	1.6
107.08608	15.3
109.06514	4.5
109.10168	14.2
111.04421	3.1
111.08102	4.6
111.11735	15.4
113.05892	1.2
113.09663	1.1
117.07031	2.2
119.04987	1.6
119.08591	8.5
121.06505	2.4
121.10165	6.8
123.04382	1.1
123.08102	7.1
123.11719	100.0
125.09608	2.8
125.13244	1.5
127.07520	1.7
129.07051	1.5
129.09070	1.0
131.08582	4.5
133.10167	5.0
135.08096	2.8
135.11707	12.9
137.05966	1.6
137.09647	3.1
137.13304	1.6
139.07576	2.4
139.11217	1.4
143.08585	2.1
145.10141	4.4
147.04466	2.3
147.08005	1.7
147.11682	3.5
149.09650	2.8
149.13310	5.7
151.11189	1.8
153.12750	19.3
159.11726	1.8
161.09659	2.2
163.11197	2.3
163.14828	1.7
165.09146	1.5
165.12764	1.2
169.12184	1.5
171.11768	2.0
189.11169	1.9
189.12764	1.6
193.12173	1.3
199.14848	1.5
207.13728	1.5
213.12750	1.3
217.15947	1.7
233.15248	1.1
251.12708	1.2
273.18484	4.6
276.01395	1.1
291.16254	1.3
291.19547	11.7
291.26901	1.9
309.11124	2.4
309.16821	10.6
309.20679	5.7
309.27808	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	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01867	5.7
55.05521	21.6
57.03432	6.9
57.07078	2.3
60.85001	1.8
65.03911	2.8
67.05510	49.7
69.03419	2.3
69.07072	26.4
71.04990	6.3
71.08636	44.8
79.05499	53.4
81.03419	8.1
81.07060	67.6
83.04987	13.5
83.08642	13.3
85.06540	3.7
88.41073	2.0
91.05488	47.4
93.07052	100.0
94.89298	2.1
95.04980	37.4
95.08614	50.3
97.06532	22.4
97.10141	3.0
99.08096	41.6
103.05465	3.7
105.04486	3.1
105.07034	64.3
107.04973	8.2
107.08595	44.1
109.06503	13.9
109.10164	19.2
111.08092	2.6
113.09602	3.0
114.98506	2.0
116.06186	2.3
117.07012	16.4
119.08588	52.1
121.06497	7.3
121.10146	81.6
122.37187	1.9
123.08089	10.0
123.11759	4.6
127.11183	2.3
128.06204	5.0
129.07025	9.6
130.07832	4.5
131.08575	28.0
133.06523	3.0
133.10136	38.9
135.08038	3.3
135.11694	42.1
137.09612	4.8
139.11180	2.9
141.07025	4.7
141.09055	4.1
142.07793	7.6
143.08586	17.8
144.09332	3.0
145.10138	32.0
147.08186	2.7
147.11673	9.6
149.09650	3.3
149.13235	11.6
151.11197	18.3
153.12790	2.8
155.08583	5.6
156.09384	5.2
157.10155	20.3
159.11711	28.2
161.09673	6.4
161.13255	13.5
163.11165	12.0
165.12849	3.7
167.10712	2.4
169.10086	10.8
170.10857	2.3
171.11722	12.1
173.13275	9.2
175.14838	9.1
177.12831	3.5
179.12750	4.5
179.14326	88.7
181.10216	3.1
183.11690	4.2
185.13261	5.5
187.11198	6.9
187.14868	16.2
189.12790	4.7
192.09724	1.8
195.11722	3.4
197.13263	5.6
199.14819	7.5
201.12779	2.6
209.13181	3.4
211.14914	4.0
213.16391	2.2
221.15417	3.2
223.14777	3.1
224.60939	2.3
225.16473	2.7
229.08224	2.7
235.14845	3.4
235.16969	4.5
241.19565	2.5
247.15010	2.5
253.19484	2.4
259.20575	3.7
277.21640	63.2
291.20905	6.2
309.21991	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	4.2
55.01877	14.1
55.05518	90.7
57.03439	3.3
67.05511	50.9
69.03439	2.6
69.07075	24.1
71.05000	5.6
71.08635	2.9
79.05072	2.6
79.05507	32.4
79.90192	1.6
81.03417	7.7
81.07068	67.7
83.04996	11.7
83.08627	100.0
85.06541	5.1
91.05497	36.5
93.07053	36.9
95.04972	13.1
95.08620	29.3
97.06573	12.9
97.10178	7.7
97.36105	1.8
98.21542	4.9
99.08121	4.3
105.07043	33.0
107.04943	2.8
107.08604	23.5
109.06523	8.9
109.10184	10.5
111.04426	2.8
111.08090	28.0
117.07011	3.9
119.08587	21.6
121.10148	22.0
123.08099	6.6
123.11715	6.4
125.09618	3.6
127.07503	2.6
129.06982	9.5
129.09138	4.6
131.08566	10.6
133.10143	41.1
135.11696	9.7
139.11197	20.6
143.08604	1.7
145.10130	5.9
147.11702	31.1
149.09654	10.4
149.13263	29.2
151.11209	11.5
157.10158	15.1
159.11661	3.0
161.13278	8.3
163.11263	4.9
163.14835	3.2
165.12770	20.0
167.14381	5.1
171.11746	7.2
171.32825	1.8
173.13335	5.7
175.11226	16.4
175.14835	6.8
179.14342	5.5
181.12170	2.1
185.13275	3.6
185.39503	2.0
189.12735	3.2
193.12250	8.5
193.15808	3.1
203.14388	2.1
221.15387	2.7
224.66740	1.8
241.19511	10.3
259.20596	14.8
277.21646	72.1
291.19547	5.8
291.23218	8.2
309.24258	32.3
310.24277	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01826	2.1
53.03946	2.7
55.05505	9.2
57.03439	8.0
59.05017	2.4
67.05506	9.7
69.07076	11.0
69.09547	2.3
69.47243	5.7
69.47664	10.9
79.05508	19.8
81.07058	30.8
91.05482	19.3
93.07058	40.6
95.04978	21.5
95.08606	13.1
97.06535	14.7
98.21499	4.3
105.07040	52.9
107.08599	10.8
109.06524	10.2
109.10147	9.5
113.57735	2.3
117.07024	4.4
119.08604	24.8
119.14323	2.2
120.58271	2.3
121.10152	100.0
123.08099	6.2
128.06242	3.9
129.07030	8.2
130.07794	4.1
131.08566	14.1
133.07605	4.0
133.10153	19.8
133.66347	2.4
135.11723	2.6
142.07782	8.1
143.08594	13.1
145.10146	19.9
147.08113	2.7
147.11702	5.5
155.08490	3.4
156.09343	5.8
157.10143	14.6
159.11671	14.1
161.09618	4.7
161.13319	3.0
171.11728	7.6
173.13257	5.7
175.14894	4.2
183.11671	2.5
185.13322	2.5
197.13348	3.8
199.14828	3.6
211.14888	2.8
303.38089	2.5
309.22034	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03942	5.0
55.01866	6.3
55.05515	18.6
57.03419	4.8
57.07076	6.1
67.05508	30.0
69.07070	15.6
69.42685	4.2
69.43104	11.2
71.04963	3.4
79.05057	3.2
79.05497	27.2
81.03411	4.5
81.07063	39.4
83.08617	12.1
91.05480	32.2
93.07051	52.5
95.04455	3.3
95.04985	38.1
95.08052	3.8
95.08610	39.4
97.06528	17.4
97.10183	5.3
98.21490	4.7
100.02473	3.7
103.05500	3.0
105.07034	66.8
107.04955	4.3
107.08594	28.7
109.06518	9.4
109.10165	28.4
115.05468	2.4
117.07035	17.2
119.08592	52.0
121.06503	7.9
121.10146	53.4
123.08047	12.0
123.11705	6.1
125.09627	3.8
128.06242	6.3
129.06981	10.0
130.07767	3.6
131.08589	29.6
133.06516	2.4
133.10133	37.8
135.08040	4.6
135.11728	13.3
137.13062	3.1
141.06960	2.7
142.07809	13.9
143.08539	22.1
144.09410	4.7
145.06506	3.5
145.10132	42.8
147.08025	6.5
147.11694	15.8
149.09604	5.3
155.08530	14.1
156.09334	8.7
157.10120	28.8
158.10869	4.0
159.11697	29.4
161.09631	6.5
161.13228	6.2
163.03899	2.3
165.06987	3.3
167.08559	4.9
169.10156	18.3
170.10872	5.3
171.11691	21.4
173.13246	14.9
175.11195	3.3
175.14825	7.0
179.08554	5.0
180.09421	3.0
181.10117	7.5
182.10918	2.9
183.11673	19.3
185.09659	2.5
185.13292	14.7
187.11148	4.3
187.14844	19.8
193.10185	5.7
194.10793	3.6
195.11702	7.1
196.12511	3.2
197.13287	14.3
199.11099	2.5
199.14835	9.7
201.12848	3.6
206.10901	3.7
207.11729	7.0
208.12427	3.2
209.13385	10.9
211.11128	3.3
211.14766	5.7
213.12900	2.6
213.16469	5.8
215.14371	4.9
221.13373	2.8
223.14926	4.1
225.16429	7.8
234.52557	2.4
235.14839	6.2
237.16409	3.0
239.14316	2.4
239.17932	6.0
249.16377	4.4
251.17935	2.4
253.15924	6.6
265.19650	3.6
273.18430	3.2
277.18143	4.2
277.21689	3.1
281.22562	13.6
291.21121	15.5
309.22144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.27169	4.0
53.03947	6.5
53.23179	3.7
55.05508	16.8
57.03423	7.1
57.07062	5.8
59.04995	4.9
67.05505	26.5
69.03427	4.5
69.07066	18.2
71.04994	4.7
79.05492	28.4
81.03429	4.9
81.07060	49.2
83.04979	6.8
83.08617	6.8
91.05495	46.2
93.06480	6.9
93.07050	95.4
95.04976	53.2
95.08613	50.9
97.06555	20.5
103.05450	5.0
105.07041	100.0
107.08601	48.1
109.06513	14.0
109.10172	22.5
115.05447	7.1
116.06219	5.2
117.07040	21.9
119.08592	64.4
121.06520	12.9
121.10153	95.5
123.08064	13.5
128.06236	7.7
129.06998	12.9
130.07779	7.9
131.08565	41.3
133.06480	3.6
133.10115	37.3
135.08058	6.4
135.11743	9.8
141.07028	4.0
142.07779	12.0
143.08592	29.8
144.09363	8.9
145.10118	47.6
147.11729	10.1
155.08556	10.1
156.09355	11.4
157.10132	34.0
159.11684	38.8
161.09613	13.0
161.13318	4.4
169.10162	16.0
170.10918	4.4
171.11691	12.3
173.13229	17.9
175.14809	6.7
183.11710	8.2
184.12450	4.9
185.13234	9.0
187.11192	20.5
187.14851	18.0
192.09302	4.0
193.10202	4.7
194.10902	4.6
195.11703	4.9
197.13226	8.1
199.14842	10.9
209.13269	8.7
211.14815	4.8
215.14282	3.8
235.15053	3.8
309.22198	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.01863	6.6
55.05516	20.6
57.07061	7.7
62.66584	2.2
65.03935	4.9
67.05507	38.8
69.07067	31.4
69.39751	2.4
71.13114	2.1
79.05494	44.4
81.03417	6.7
81.07056	73.0
83.04983	4.2
83.08607	9.6
84.95358	2.2
91.05485	51.0
93.06488	4.5
93.07049	79.2
95.04967	60.3
95.08610	96.0
97.06531	18.7
98.21555	5.9
102.61671	2.6
103.05473	6.0
105.07031	100.0
107.04974	4.1
107.08588	47.4
109.06554	11.6
109.10165	32.6
115.05439	6.2
116.06261	3.1
117.07009	28.1
119.08585	78.0
121.06493	12.0
121.10148	90.4
123.08089	16.0
123.11707	53.4
128.06229	9.9
129.07016	21.5
130.07788	9.6
131.08568	54.6
133.06528	4.6
133.07538	2.8
133.10143	51.6
135.08032	7.1
135.11732	13.7
137.09618	4.0
141.06982	8.8
142.07782	25.4
143.08565	42.4
144.09378	16.2
145.06494	5.1
145.10130	60.9
146.07233	3.3
147.08060	4.5
147.11688	27.7
149.09624	5.6
149.13194	3.0
153.07011	4.1
154.07736	4.9
155.08559	14.5
156.09393	13.3
157.10135	63.7
158.07133	3.4
158.10910	5.5
159.08041	8.1
159.11694	73.3
160.88928	2.6
161.09593	13.3
161.13278	7.1
163.11195	3.2
165.07031	4.5
165.09109	3.8
167.08548	7.8
168.09273	3.9
169.10138	30.2
170.10944	7.8
171.11682	23.0
172.08754	2.8
172.12520	3.6
173.09647	7.7
173.13295	18.4
175.14861	14.0
178.07832	3.0
179.08530	7.0
180.09360	4.6
180.11482	7.9
181.10051	12.4
182.10892	7.7
183.11697	25.9
185.09590	5.0
185.13226	14.3
187.11200	47.2
187.14769	23.9
189.29369	2.4
192.09271	2.8
193.10136	9.0
194.10985	5.0
195.11685	14.0
196.12527	4.9
197.13281	16.5
199.11197	3.1
199.14832	10.6
200.15631	4.1
201.12708	4.6
201.16379	5.9
205.10092	3.9
206.10899	6.7
207.11716	8.7
209.13240	15.6
210.13962	3.5
211.11179	6.0
211.14725	12.8
213.12752	4.1
213.16336	4.6
220.12453	7.1
221.13298	7.7
223.14815	8.3
225.12834	3.4
225.16367	12.0
229.31192	2.6
229.83862	2.7
235.14906	11.9
237.16475	4.1
239.14362	4.7
239.17981	4.7
253.15865	23.7
265.19516	4.0
281.22656	8.2
291.21088	8.3
309.18558	4.8
309.22156	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01869	5.6
55.05518	19.8
57.03423	6.3
57.07074	2.8
59.57496	1.6
65.03944	2.4
67.05508	42.2
69.03433	2.9
69.07059	21.8
69.78979	4.0
69.79385	8.4
71.04984	3.8
71.08631	21.4
77.03920	2.4
79.05495	43.6
81.03420	6.3
81.07055	50.8
83.04980	5.5
83.08623	7.4
91.05478	43.8
93.07043	89.1
95.04968	49.4
95.08607	49.1
97.06524	25.4
99.08089	19.1
103.05468	3.8
105.04509	3.5
105.07028	75.3
107.04947	3.5
107.08595	40.1
109.06511	12.1
109.10165	22.4
111.08036	2.4
115.05441	2.2
116.06232	3.0
117.07014	15.6
119.07719	2.4
119.08580	57.9
121.06503	8.5
121.10140	100.0
123.08073	8.0
123.11697	5.4
128.06232	5.3
129.07013	14.4
130.07768	3.9
131.08574	29.8
133.06491	2.9
133.07568	2.2
133.10132	39.3
135.08076	3.8
135.11693	22.5
137.09615	2.1
142.07747	11.8
143.08549	23.9
144.09340	7.6
145.10121	35.2
147.08047	3.4
147.11676	11.3
149.09586	3.2
149.13283	4.8
151.11185	7.9
153.12709	2.4
154.07809	2.1
155.08553	6.8
156.09361	6.8
157.10123	24.6
158.10939	5.0
159.08012	4.2
159.11694	33.9
161.09625	7.8
161.13257	11.0
163.11212	5.5
167.08429	2.7
169.10100	12.5
171.11667	10.8
173.09610	3.1
173.13200	14.3
175.11153	3.2
175.14830	7.9
179.14319	36.4
181.10199	4.6
182.10956	3.6
183.11719	8.7
185.13341	8.9
187.11263	9.8
187.14778	17.2
189.12759	2.7
193.10126	2.1
194.10828	2.2
195.11639	3.9
197.13263	7.7
199.14815	8.3
207.11588	3.9
209.13326	5.9
211.11124	2.1
211.14871	4.6
213.16446	3.4
220.12674	2.1
221.13313	4.0
221.15257	3.2
223.14822	2.4
225.16409	3.8
235.14787	2.6
237.16557	2.2
249.16228	2.4
253.15892	2.6
265.19580	3.9
277.21643	28.1
281.22577	2.9
291.21042	5.0
309.22040	31.6
309.25427	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03942	4.5
55.01859	4.4
55.05512	10.4
56.40991	2.1
57.03430	3.8
57.07064	2.4
57.91486	2.0
59.95264	2.2
67.05511	27.2
67.45660	1.9
69.07081	13.1
70.59328	2.0
71.04980	2.9
79.05499	22.0
81.03408	6.1
81.07054	33.8
83.04970	2.8
83.08634	5.1
91.05482	28.9
93.07045	57.7
95.04966	35.6
95.08602	26.9
97.06528	16.8
97.10156	3.2
98.21510	6.1
103.05566	2.0
105.07028	53.9
107.08604	30.6
109.06541	10.1
109.10152	17.9
111.60979	2.1
115.05445	2.8
117.07010	14.3
119.08586	53.4
120.47884	2.0
121.06508	7.5
121.10147	58.8
123.08070	6.8
123.11674	4.2
125.22985	1.9
128.06238	5.9
129.07014	7.0
130.07771	5.5
131.08585	28.6
133.10135	33.6
135.08041	6.2
135.11693	7.7
137.09657	2.8
141.06990	3.6
142.07791	10.7
143.08580	22.4
144.09363	4.8
145.10127	35.9
147.08049	3.4
147.11668	12.5
149.09633	4.8
155.08585	7.7
156.09361	7.6
157.10139	26.0
158.10811	2.3
159.11690	30.8
161.09668	5.5
161.13252	7.0
167.08609	3.5
169.10146	15.9
170.10933	4.0
171.11674	16.0
173.13258	18.0
175.14857	5.8
176.02190	1.8
179.08688	2.2
181.10130	5.7
182.11028	2.9
183.11729	13.6
185.13258	13.5
187.11212	9.6
187.14825	17.8
189.12816	2.4
193.10136	4.8
194.10875	3.4
195.11641	6.1
196.12479	2.6
197.13165	9.8
199.14828	9.0
201.16342	3.6
207.11723	4.9
207.83295	2.0
209.13297	7.2
211.14850	9.0
213.16388	4.8
220.12582	2.6
221.13231	5.6
223.14882	4.7
224.15700	2.1
225.16380	4.6
235.14789	7.2
237.16414	2.8
239.18031	4.7
244.50459	2.7
249.16434	4.8
251.17969	2.1
253.15945	5.3
253.19456	3.0
265.19577	6.3
277.21671	7.6
281.22644	16.9
291.21118	17.1
309.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03937	6.6
55.01864	4.2
55.05510	10.2
57.03437	4.9
57.07076	3.2
65.03933	2.4
67.05508	26.1
69.07074	14.9
71.04966	1.8
77.03923	2.6
79.05495	26.8
81.03399	3.8
81.07061	38.5
83.04982	4.2
83.08622	5.0
89.11288	1.4
91.05486	43.6
92.80991	1.6
93.07047	76.3
95.04971	46.0
95.08609	33.2
97.06523	20.1
98.20770	5.2
102.20086	1.7
103.05460	4.4
105.04518	2.9
105.07034	80.2
107.08591	29.9
109.06510	12.0
109.10155	15.8
115.05463	2.2
116.06256	2.7
117.07025	17.5
119.07704	2.2
119.08579	63.3
121.06532	11.2
121.10145	100.0
123.08077	7.9
123.11703	2.8
128.06239	7.5
129.07011	10.0
130.07800	6.0
131.08574	37.4
133.06560	2.8
133.07611	3.2
133.10139	35.1
135.08078	4.7
135.11682	6.4
141.07019	7.3
142.07794	11.3
143.08572	25.1
144.09341	7.1
145.06480	2.0
145.10123	41.0
147.08023	3.8
147.11746	10.6
149.09641	2.2
153.08499	1.7
154.07736	3.7
155.08531	7.8
156.09369	8.6
157.10139	30.6
158.10895	3.6
159.08134	3.1
159.11703	35.9
159.13043	1.9
161.09657	8.9
161.10809	1.5
161.13306	5.8
165.07018	2.1
167.08601	3.1
169.10136	19.2
170.10957	5.5
171.11679	13.3
173.09720	2.6
173.13225	11.6
175.14841	6.3
179.08528	3.0
181.10127	4.1
182.10983	3.5
183.11697	8.0
185.09703	1.8
185.13248	8.2
187.11172	11.2
187.14832	14.7
189.12709	3.8
193.10139	2.4
195.11734	4.5
197.13306	6.4
199.14842	10.1
201.16490	2.0
206.10875	2.9
207.11760	2.7
209.13301	6.3
211.14854	4.8
213.16391	3.4
215.14420	2.7
221.13316	3.4
223.14796	3.7
225.16499	3.1
235.14795	4.4
239.17912	1.8
253.15877	2.4
253.19566	2.4
265.19650	2.0
281.22623	5.6
291.21011	5.7
309.18558	2.8
309.22104	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.71412	1.1
53.00309	1.0
53.03949	2.6
53.87867	1.0
55.01878	6.9
55.05270	2.0
55.05515	26.7
57.03435	3.6
57.07085	2.2
59.04999	2.1
62.19628	1.0
66.14967	1.1
67.05508	19.1
69.03436	4.6
69.07079	12.6
71.05002	1.9
71.52614	2.0
79.05502	17.3
81.03421	2.7
81.07059	33.8
83.04983	7.6
83.08627	15.4
85.02928	2.8
85.06550	1.6
91.05497	12.4
93.07046	14.7
95.04970	8.1
95.08617	10.8
97.02893	2.0
97.06532	2.3
97.10178	25.4
99.04480	1.7
99.08101	1.8
105.03397	1.2
105.07030	9.4
107.04964	3.6
107.08597	13.8
109.02817	1.3
109.06509	5.0
109.10148	6.1
111.04446	6.7
111.08096	4.2
111.80853	1.1
117.07026	3.9
119.08575	9.7
121.06501	4.2
121.10162	8.0
123.04439	1.4
123.08079	15.2
123.11741	1.3
125.09633	17.3
127.87469	1.4
129.07054	2.6
131.08603	5.6
133.06436	1.3
133.10172	5.2
135.08084	6.1
135.11734	2.8
137.09647	3.1
139.57843	1.1
143.08582	4.4
145.10118	7.7
147.08066	5.9
147.11699	4.1
149.09644	3.1
149.13318	1.5
153.09148	3.0
153.12714	2.4
157.10156	2.5
159.11745	3.8
161.09651	3.4
161.13179	1.2
163.11151	5.8
165.09123	3.5
169.10086	1.5
171.11691	1.8
173.09669	1.6
173.13268	1.8
175.11221	1.5
179.10733	2.3
181.12254	3.6
184.07382	2.9
185.13301	1.9
189.11247	17.7
189.12793	3.1
191.10709	3.0
193.12305	2.4
197.13443	1.4
215.08405	2.2
223.13307	5.8
227.12830	3.0
227.18047	1.4
231.17532	1.3
245.19023	1.6
273.18503	13.6
277.21649	1.9
291.19550	100.0
297.50934	1.0
309.16479	1.4
309.20639	9.9
309.23856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	4.7
55.01879	18.8
55.05515	25.9
55.60334	2.0
57.03432	4.1
57.50414	1.8
66.92739	1.8
67.05511	62.9
69.03426	6.6
69.07074	25.5
70.96991	3.4
70.97337	3.4
71.04990	6.1
71.08632	2.9
77.03956	2.5
79.05501	42.0
81.03413	3.7
81.07059	79.8
83.01362	3.0
83.04980	12.9
83.08616	10.3
85.06536	6.4
91.05486	47.7
93.07050	46.3
95.04962	13.8
95.08616	27.5
97.06534	8.7
97.10202	4.1
99.04456	4.3
99.08089	4.2
105.07042	46.0
107.04953	8.1
107.08601	47.0
109.06510	10.0
109.10166	80.7
111.04458	4.1
111.08088	10.6
113.06033	4.5
117.07017	5.3
119.04972	2.5
119.08601	16.3
121.06528	11.0
121.10126	13.8
123.04465	2.3
123.08080	10.3
123.11738	11.3
125.09628	6.6
127.07578	2.8
129.07013	6.8
131.08565	13.9
133.06500	8.2
133.10139	100.0
135.08063	5.6
135.11717	9.0
137.05960	2.7
137.09589	5.0
139.07541	5.1
143.08524	9.0
145.10132	13.3
147.08043	8.0
147.11696	8.5
149.09648	5.3
149.13229	2.7
151.11189	72.7
151.12373	4.4
153.09131	2.0
157.10143	4.3
159.11726	4.5
161.09628	13.2
161.13258	3.7
163.11172	6.0
165.09105	3.9
165.12704	2.7
169.12238	17.4
171.11740	5.3
173.09630	3.1
173.13353	2.7
175.11229	5.5
179.10741	4.2
181.08635	4.1
181.10300	1.8
181.12132	2.1
183.38440	1.9
185.13239	3.3
187.11191	1.9
189.11221	3.2
189.12781	6.3
191.20238	2.1
193.12291	3.4
197.11726	2.2
203.14291	4.4
215.12790	8.5
217.12239	1.9
217.19574	1.9
227.17903	4.1
229.60817	1.9
235.13333	2.3
245.19090	16.0
249.15005	2.0
255.17485	6.0
263.20074	12.3
268.40466	2.4
273.18494	32.9
277.21652	5.4
291.19568	72.1
309.20657	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	6.3
55.01865	11.7
55.05513	47.9
56.96544	5.4
57.03445	15.6
57.07065	7.9
59.04996	8.2
65.03945	3.9
67.05180	4.1
67.05510	52.2
69.03413	13.9
69.07076	59.2
71.04982	10.2
71.53320	4.8
75.04476	7.6
79.05493	52.7
81.03433	16.5
81.06596	6.5
81.07059	100.0
83.04995	23.9
83.08620	34.8
85.02906	14.8
85.06555	18.0
91.05487	43.8
93.07047	62.5
94.96300	2.8
95.04974	26.6
95.08611	60.7
97.02898	6.1
97.06541	21.4
97.10173	35.6
98.05958	2.7
98.98448	9.7
99.08102	24.2
105.07033	43.1
107.04958	23.9
107.08597	52.7
109.02895	5.2
109.06539	29.2
109.10156	38.2
111.04433	15.5
111.08099	16.3
111.11717	8.7
113.06014	8.5
113.09650	5.7
117.07010	16.8
119.04959	9.8
119.08594	50.6
121.06506	17.0
121.09333	5.9
121.10149	60.6
123.04414	7.6
123.08067	55.0
123.11716	13.8
125.06019	5.7
125.09647	29.2
127.07560	11.6
128.06197	3.6
129.06998	8.8
130.07813	3.1
131.08586	23.2
133.06479	7.4
133.10124	32.4
135.08041	19.5
135.11728	17.1
137.05959	8.0
137.09619	21.2
137.13284	5.7
139.11154	12.7
141.05424	3.5
143.08540	9.3
143.10693	5.5
145.10141	31.9
147.04434	25.5
147.08052	16.2
147.11691	24.5
149.09665	25.6
149.13240	5.3
151.07564	6.0
151.11185	5.9
153.09114	5.2
153.12749	6.6
155.10669	7.3
157.10178	16.1
159.08089	4.6
159.11700	8.9
161.09653	7.5
161.13261	10.9
163.07498	3.1
163.11168	23.8
163.14787	4.3
165.09108	9.4
165.12738	5.4
169.12218	4.3
171.11687	14.0
173.09636	7.5
173.11940	3.0
173.13254	14.2
175.07593	3.7
175.11171	12.8
179.14328	11.9
181.12253	9.3
185.13266	6.9
187.11182	3.8
187.14841	4.3
189.11223	20.2
189.12814	14.1
191.10701	9.3
191.14308	24.4
193.12292	5.7
199.11238	4.2
199.14771	3.0
201.16391	3.5
203.14333	7.3
207.13789	31.1
211.13205	6.0
213.12744	3.4
215.14313	7.4
217.15849	5.2
219.13567	3.7
221.15329	4.3
223.13293	3.5
225.14862	50.1
227.12775	7.6
227.17714	4.1
231.13948	7.3
231.17343	3.6
233.15372	68.7
249.18567	9.4
251.16393	5.5
255.17403	7.0
263.20047	5.0
273.18481	33.6
277.14349	6.8
291.16177	6.8
291.19540	83.9
291.26547	4.4
309.07779	3.4
309.11130	6.5
309.16965	18.4
309.20599	42.8
309.27307	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	3.4
55.01873	16.3
55.05512	50.0
56.27324	0.8
57.03429	4.9
57.07084	1.0
59.04990	1.7
65.03928	1.9
67.05504	45.1
69.03436	6.8
69.07069	23.8
69.76442	4.6
71.04984	3.6
79.05023	1.5
79.05493	43.5
81.03419	16.7
81.07056	100.0
83.04980	20.1
83.08619	29.4
85.02905	4.4
85.06530	2.0
91.05476	21.4
93.07045	28.5
95.04972	18.4
95.08609	27.3
97.02885	1.8
97.06530	11.5
97.10170	41.4
98.20740	1.0
99.04451	2.9
99.08099	5.2
105.07030	20.0
107.04955	7.5
107.08602	24.8
109.02811	1.1
109.06509	8.5
109.10165	13.2
111.04442	19.4
111.08083	12.9
117.07016	8.6
119.08577	20.6
121.06535	6.3
121.10146	10.9
123.04397	2.4
123.08071	43.1
123.11678	1.3
125.06031	1.6
125.09634	33.0
129.07014	5.1
131.08566	10.3
133.06491	2.4
133.10141	7.5
135.08057	7.6
135.11687	10.6
137.09627	10.3
139.11203	2.9
141.08995	0.7
142.07739	1.1
143.08548	2.8
143.10713	1.9
145.10126	13.6
147.08070	9.8
147.11665	5.0
149.09627	7.2
149.13252	3.9
151.11163	1.8
153.09146	5.8
153.12721	7.9
157.10121	5.4
159.08063	1.5
159.11685	4.2
161.09657	4.6
163.11180	30.3
165.09140	12.0
165.12750	1.6
169.10135	1.0
169.12267	0.9
171.10182	3.1
171.11670	2.5
173.09616	2.6
173.13231	1.3
175.11209	4.7
177.12787	2.1
179.10738	1.3
181.12238	10.1
185.13203	1.4
187.14783	0.9
189.11223	30.7
189.12634	1.1
191.10657	9.2
193.10638	1.2
193.12268	11.8
195.11830	1.0
195.13786	0.9
205.12277	1.7
209.11745	2.7
211.13231	7.0
211.14929	1.1
213.19962	0.8
221.11801	0.8
223.13235	6.1
227.12715	7.0
227.17940	2.0
231.13791	1.2
235.13219	0.9
241.14265	0.8
245.19006	2.6
247.20493	1.2
249.14891	2.8
255.17397	3.8
263.20041	3.3
273.18491	25.6
277.17465	0.8
277.20743	1.3
291.19547	91.0
292.19775	1.2
309.13235	1.9
309.16983	1.5
309.20618	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	2.1
54.94711	1.2
55.01875	9.6
55.05510	15.8
56.42444	1.2
56.71388	1.1
57.03423	4.3
59.04994	1.9
65.03944	2.1
67.05505	28.1
69.03418	3.4
69.07076	6.3
69.18774	11.6
71.04978	3.1
75.72518	1.3
79.05496	32.2
81.03404	5.0
81.07058	63.4
83.04984	19.3
83.08615	10.3
85.02910	6.5
85.06535	2.4
91.05482	16.2
93.07049	23.1
93.21297	1.1
95.04969	14.1
95.08614	11.4
97.06533	5.2
97.10172	8.0
99.04448	4.5
105.07034	12.8
107.04960	6.9
107.08585	12.9
109.06519	29.2
109.10152	8.4
111.03722	2.3
111.04449	30.5
111.08072	10.1
113.05995	1.8
115.05428	1.6
117.07025	12.7
119.08586	23.7
121.06491	6.7
121.10141	12.5
123.08056	6.9
123.11662	1.2
125.05983	1.3
125.09582	6.6
129.07008	4.1
130.07805	2.0
131.08553	9.9
133.06506	3.4
133.10141	5.0
135.08064	7.8
135.11699	8.7
137.09653	3.3
141.06940	1.2
143.08557	4.0
145.06419	1.8
145.10124	16.9
147.08025	13.3
147.11649	3.0
149.09634	5.2
153.09166	1.6
153.12775	7.4
155.08498	2.2
157.10092	4.2
159.11693	4.0
161.08429	1.2
161.09607	6.6
163.11192	16.7
165.09128	2.2
165.12735	1.7
168.49464	1.1
171.11673	2.5
173.09639	3.0
175.11140	2.4
181.12212	15.8
185.13234	3.3
189.11238	4.5
191.10692	15.7
193.12177	1.5
199.11179	1.5
203.14247	1.6
209.11740	3.3
223.13286	4.9
227.12767	9.8
238.28647	1.6
245.18852	1.3
248.40770	1.3
249.14856	6.0
255.17409	4.8
263.20352	1.2
268.90927	1.2
273.18488	26.5
277.21875	1.2
277.96927	1.2
291.19547	100.0
292.19766	1.9
309.16055	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.54482	1.2
53.03936	3.0
55.01873	12.0
55.05513	18.9
57.03434	3.8
63.17418	1.4
65.03931	2.4
67.05183	2.3
67.05508	28.8
67.22654	1.4
69.03397	3.2
69.07059	6.1
70.05947	6.8
71.04990	5.1
79.05494	29.1
81.03419	2.4
81.06604	3.2
81.07063	58.3
83.04988	22.4
83.08626	13.3
85.02884	6.6
85.06538	4.5
91.04974	2.0
91.05482	17.0
93.07053	21.7
95.04964	13.4
95.08611	10.2
97.06522	5.5
97.10151	7.8
98.20783	1.9
99.04454	3.2
105.07034	11.2
107.04942	5.0
107.08588	16.4
109.06525	15.8
109.10165	7.3
111.04449	40.4
111.08075	10.8
113.06014	7.2
117.07020	12.0
119.08585	26.0
121.06519	8.1
121.10142	15.0
123.08086	9.9
123.11703	2.2
125.09644	8.2
127.00780	1.4
129.06990	5.8
131.08563	10.5
133.06473	3.0
133.10144	3.2
135.08029	6.5
135.11713	9.7
137.09619	3.7
143.08554	4.1
145.06561	2.1
145.10136	16.4
147.08034	13.8
147.11717	3.0
149.09615	5.6
153.12732	10.5
157.10136	4.5
159.11658	2.7
161.09618	4.5
163.11188	16.8
165.09084	5.3
171.11658	3.1
173.09569	3.6
181.12227	17.2
182.10835	1.4
189.11180	6.0
191.10693	12.9
199.11226	1.9
209.11809	3.6
223.13228	5.8
227.12811	11.1
245.19051	2.4
249.14861	4.9
255.17331	4.4
273.18491	29.0
291.19550	100.0
309.20575	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	4.0
55.01880	13.8
55.05515	41.0
57.03437	5.5
57.07059	1.5
59.04991	1.9
67.05510	30.7
67.95845	0.9
69.03429	5.4
69.07074	15.9
71.04977	3.5
71.08620	1.0
73.02912	0.9
79.05500	31.9
80.05839	1.1
81.03427	8.9
81.07063	85.9
83.04993	16.5
83.08156	1.7
83.08627	25.6
85.02911	6.3
85.06549	3.4
87.04442	1.4
91.05481	14.7
93.03382	1.0
93.06480	1.7
93.07050	25.3
94.83650	0.9
95.04983	13.4
95.08616	14.7
97.02878	1.1
97.06537	6.8
97.10177	41.7
98.21474	2.0
99.04462	3.4
99.08096	5.7
105.07047	13.7
107.04969	5.4
107.08600	23.4
109.06538	8.8
109.10156	11.8
111.03710	1.8
111.04452	24.8
111.05208	1.3
111.08083	11.6
113.06037	1.3
117.07027	8.4
119.08585	16.6
121.06518	7.8
121.10152	12.0
123.04447	2.4
123.08076	40.3
125.05993	2.5
125.09640	41.0
129.07027	2.9
131.08560	11.2
133.06448	1.4
133.10155	4.5
135.08043	9.2
135.11711	9.9
137.06033	3.1
137.09634	5.1
139.11195	5.3
143.08594	3.5
143.10681	2.6
145.10135	11.6
147.08069	8.6
147.11684	5.2
149.09645	5.6
149.13208	1.1
153.09142	6.7
153.12737	9.0
155.08530	1.1
157.10144	5.2
159.08084	1.2
159.11746	2.4
161.09653	3.4
163.11194	13.9
165.09125	6.7
171.10185	6.7
171.11719	2.9
173.09628	4.7
173.13257	1.6
175.11200	3.4
177.12779	1.8
181.12263	13.5
185.13116	1.2
189.11223	46.7
191.10699	14.5
193.12262	3.9
199.11201	1.6
205.12256	1.3
207.13841	1.0
209.11694	3.7
223.13258	7.8
227.12816	9.7
227.18010	1.8
235.13469	1.5
237.18544	2.0
245.19135	3.0
249.14977	2.2
255.17451	3.9
263.20050	3.2
273.18509	22.2
291.19565	100.0
309.20639	37.3
309.23477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	5.3
55.01880	11.0
55.05512	36.1
56.96569	7.5
57.03442	10.5
57.07069	5.4
59.04992	5.1
61.02919	1.9
65.03937	1.6
67.05508	44.5
69.03427	8.8
69.07074	37.7
69.86419	3.9
69.86832	2.5
71.01359	2.2
71.05000	10.1
73.02901	1.4
78.48530	1.2
79.05498	43.6
81.03432	7.1
81.07060	100.0
82.07391	1.2
83.04979	21.6
83.08218	1.7
83.08627	18.3
85.02900	8.5
85.06550	8.2
86.71535	1.4
87.04498	1.5
91.03960	1.4
91.05483	25.0
93.06486	2.4
93.07050	38.1
95.04971	18.7
95.08615	40.6
97.02913	7.5
97.06539	10.7
97.10184	18.1
98.97582	16.4
98.98513	3.1
99.04447	1.9
99.08121	7.7
105.07041	24.7
105.07712	2.7
107.04959	8.9
107.08595	30.5
109.02882	1.9
109.06516	10.8
109.10157	22.7
110.97549	2.1
111.04443	24.3
111.08085	22.0
111.11719	3.4
112.99125	7.9
113.06004	1.5
115.05501	2.0
116.98607	4.1
117.07014	10.1
119.01826	4.2
119.08584	27.1
121.06492	8.1
121.10148	23.4
123.08076	18.3
123.11732	12.9
125.06019	2.7
125.09631	16.8
127.07544	2.3
129.07005	5.5
131.00174	12.6
131.08574	15.8
133.06491	4.1
133.10144	13.1
135.08040	10.7
135.11700	12.5
137.05942	1.3
137.09615	8.6
137.13249	5.3
139.07565	1.4
139.11214	3.1
143.00163	1.4
143.08559	6.8
144.83688	1.4
145.06482	1.5
145.10130	18.8
147.03072	6.3
147.04405	4.4
147.08049	9.9
147.11731	8.0
149.01245	12.8
149.09598	8.4
149.13284	7.2
151.11137	1.7
151.91154	1.4
153.09105	3.8
153.12753	8.0
155.08554	1.7
156.03632	6.2
157.10123	6.0
158.99721	6.2
159.08118	2.1
159.11717	4.6
161.01184	2.3
161.09636	8.6
161.13284	3.1
163.07442	1.4
163.11201	13.2
163.14890	2.1
165.09117	7.7
167.02295	1.6
167.10666	1.9
167.54414	2.0
170.99712	1.6
171.11716	3.4
173.01178	1.8
173.09621	4.2
173.13184	3.4
174.03632	3.6
175.11220	3.5
175.14839	1.6
177.00699	5.0
177.04123	2.0
177.12791	1.8
179.08463	1.9
179.10648	2.2
181.10167	1.1
181.10683	1.5
181.12260	15.2
183.04192	3.5
185.01038	1.5
185.11620	1.2
185.13182	2.7
189.11255	10.5
189.12773	2.2
189.16463	2.4
191.10741	10.9
191.17964	2.1
193.12250	4.7
194.54990	1.5
199.06459	1.5
199.14851	2.5
209.11745	3.0
209.19063	1.6
213.12767	2.1
213.16255	1.7
217.15930	3.8
217.19577	2.1
219.01733	2.4
219.13794	1.8
221.15126	1.4
223.07295	2.4
223.13307	7.5
224.08032	4.4
227.12801	9.1
227.17998	2.7
228.11942	2.1
229.07504	4.6
231.13844	3.4
233.15440	1.8
235.13289	1.9
237.08739	3.3
237.18529	2.4
239.12929	1.3
243.08813	2.0
245.18892	2.5
249.14886	4.3
251.10490	4.5
255.17413	2.9
263.20108	4.4
265.10287	1.9
273.18521	26.5
273.25754	2.1
274.10516	1.8
284.12643	2.0
286.12668	2.1
291.19547	77.3
291.26767	4.7
292.19690	2.2
293.05450	4.6
309.14117	9.5
309.17078	6.3
309.20227	19.5
309.27774	5.0
311.06223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03950	6.3
55.01878	17.9
55.05516	30.0
57.03442	7.4
57.07098	2.4
59.04994	2.5
65.03938	2.6
67.05509	54.2
67.40203	1.6
69.03432	7.7
69.07072	60.6
70.13722	6.9
71.04997	8.0
79.05499	53.7
79.05970	2.4
81.03413	11.4
81.07058	100.0
83.04983	18.6
83.08617	15.6
85.02897	2.5
85.06551	7.2
86.14362	1.7
91.05488	45.0
92.05811	2.9
93.07053	47.0
94.07340	1.9
95.04966	19.9
95.08612	31.7
96.05295	3.1
97.02898	2.1
97.06558	15.0
97.10181	12.0
98.21333	3.2
99.04474	2.9
99.08070	5.7
105.07037	39.3
107.04966	21.0
107.08601	30.6
108.05296	2.8
109.02886	2.3
109.06532	26.0
109.10170	16.4
110.06817	2.0
111.04435	16.2
111.08091	6.5
115.05479	3.2
117.07024	12.5
119.04981	2.8
119.08598	33.8
119.09396	1.5
121.06542	8.3
121.10159	26.3
122.07296	4.8
123.04435	7.1
123.08131	13.4
123.11716	13.1
125.05997	2.4
125.09659	11.4
129.07014	10.0
131.08580	18.7
133.06534	8.8
133.10144	18.2
135.08047	15.2
135.11703	10.6
137.05998	2.7
137.09654	14.0
138.09935	4.4
139.07532	3.2
139.98839	2.2
142.07782	2.1
143.08583	7.9
145.10141	14.8
147.08055	12.6
147.11681	27.4
149.09644	14.3
149.13257	5.2
151.07555	5.0
151.11157	5.6
153.09125	8.1
153.12794	2.3
155.08485	2.0
157.10133	10.8
159.11711	9.2
161.09610	11.6
161.13245	3.6
163.11212	12.1
165.09149	9.6
165.12770	6.4
166.09457	2.5
169.09981	1.6
171.11729	7.7
173.09659	3.9
173.11855	2.2
173.13240	2.9
175.11180	11.0
177.09198	1.9
177.12752	5.6
179.10681	5.0
181.12035	3.3
183.11752	1.9
185.09628	2.8
185.13222	3.4
187.14841	1.9
189.11241	6.7
189.12755	3.4
191.10741	3.3
193.12206	9.7
195.13783	5.9
199.14806	2.6
203.10657	3.7
203.14323	2.3
207.13774	3.8
211.13411	2.2
213.16359	2.1
217.15810	2.1
219.13791	4.9
221.11708	8.8
223.13383	4.3
227.17941	4.2
237.16455	3.2
239.12791	2.6
240.13168	7.6
245.19008	11.8
255.17607	10.6
263.20026	12.9
273.18494	65.5
291.19556	94.8
309.20367	28.1
309.23422	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	309.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
56.16412	0.4
57.03432	1.5
65.62548	0.3
67.05499	1.4
68.99798	1.1
69.03428	0.9
69.07068	0.7
70.02960	10.0
70.06593	1.1
70.31297	1.3
71.04993	1.2
72.08132	0.5
74.02437	1.7
79.05498	0.8
81.03442	0.7
81.07050	1.6
83.05013	0.7
83.08607	0.7
84.08135	1.8
85.02896	1.1
86.09712	0.7
88.03997	36.9
91.05472	1.6
92.05025	0.7
93.07053	1.4
94.06572	32.3
95.01536	0.4
95.04980	0.9
95.08601	1.1
96.66297	0.4
96.77245	0.4
97.06541	0.6
98.02419	0.8
98.09682	0.5
98.20823	0.5
99.00822	4.5
99.04426	0.7
100.03994	0.4
101.02383	8.8
103.03966	0.5
104.04985	3.1
105.07046	1.3
107.08578	0.6
109.06561	0.5
109.10196	0.6
116.03459	1.3
118.05027	25.9
118.06434	3.0
119.03434	2.9
119.04932	0.7
119.08587	1.1
120.03639	0.6
120.04472	8.9
120.05334	0.7
121.10150	0.6
122.06045	0.7
123.08103	0.6
125.09603	0.5
128.05029	0.8
129.10213	0.6
132.04457	6.7
133.10110	0.6
133.55165	0.5
136.07571	1.8
137.05995	0.6
144.06598	0.6
145.03151	0.5
145.10136	0.6
146.06017	100.0
147.04468	2.3
149.02324	1.0
150.05508	3.2
152.84351	0.5
163.03882	0.7
163.08685	1.5
164.07091	0.7
164.14409	0.5
170.04518	3.2
172.71004	0.4
174.05516	39.8
188.05539	13.0
192.06572	7.2
192.08192	0.6
209.09262	0.9
216.05043	17.3
259.07129	0.8
277.08566	0.5
291.09753	3.1
291.20792	2.6
309.10742	2.8
309.17255	0.6
309.21524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2221
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
54.40192	0.2
55.05512	0.5
57.07065	0.4
58.02943	0.3
65.03957	0.2
66.04728	0.2
67.05495	0.9
69.07057	0.8
69.38223	0.6
69.38644	0.8
70.99712	0.2
71.08627	0.8
79.05516	1.0
81.07053	2.1
82.07400	0.4
83.08649	0.3
84.04485	0.2
85.10188	0.2
88.07674	0.2
91.05483	0.7
93.07024	0.7
94.04185	1.8
95.04955	0.2
95.08604	0.8
96.81573	0.2
97.06552	0.2
99.08132	0.2
100.07600	0.2
104.44850	0.2
105.07020	0.2
107.08610	0.5
109.06537	0.6
114.09179	0.3
114.19753	0.2
119.08578	0.3
121.10161	0.3
122.03652	5.5
123.08073	0.2
125.09552	0.2
128.10741	0.2
133.10141	0.3
137.05983	100.0
137.13228	0.4
138.06299	0.7
148.12048	0.3
155.14363	0.4
165.12762	0.7
172.16963	1.6
184.16977	3.2
276.20346	0.5
284.22357	0.2
291.23203	2.2
308.22562	0.5
308.25949	1.0
308.29086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03943	0.9
53.12183	0.4
55.01877	4.7
55.05516	9.5
57.03433	1.1
57.07080	1.0
65.03934	0.8
67.05514	8.0
69.03426	0.7
69.06733	0.6
69.07078	9.3
69.52283	0.5
70.77137	0.8
70.77486	0.5
71.04991	2.1
71.08630	0.5
79.05502	7.3
81.07063	20.0
83.04981	1.8
83.08625	4.5
85.06550	1.2
91.05491	5.2
93.07053	10.1
95.04982	8.0
95.08620	10.5
97.06536	7.6
97.10175	2.8
99.08100	0.9
105.07036	6.2
107.04970	0.8
107.08594	7.8
109.06527	75.5
109.10152	3.3
111.04446	0.5
111.08091	0.9
111.11763	0.5
113.06072	0.7
117.07017	1.9
119.08598	5.2
121.06504	4.0
121.10162	4.7
123.08071	5.2
123.11708	1.4
125.09618	0.9
125.42218	0.4
131.08556	4.3
133.06593	0.6
133.10156	4.6
135.08069	2.9
135.11679	1.6
137.06003	0.5
137.09633	2.1
137.13274	0.5
139.11195	1.6
142.55081	0.5
145.10129	3.4
147.11693	4.2
149.09660	3.5
149.13313	1.2
151.11212	1.3
155.08557	0.5
159.11668	1.4
161.09657	0.5
161.13274	0.9
163.11223	3.0
163.14798	0.6
165.12762	5.2
169.10188	0.6
173.13206	2.8
175.11214	0.5
175.14801	0.6
177.12810	1.2
187.14798	0.8
191.14349	2.4
197.13292	1.0
201.12682	0.4
203.12769	0.9
215.14363	0.7
233.15356	1.3
239.16507	0.6
247.20505	0.9
251.16446	18.5
257.19049	0.5
261.22098	0.9
265.17990	0.8
275.20160	2.8
289.21643	10.7
291.23334	0.8
307.22699	100.0
308.22992	0.9
308.26041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.52173	1.3
53.03949	5.2
55.01870	11.0
55.05516	52.0
57.03434	3.6
57.07080	1.9
59.05008	3.5
60.64004	1.6
62.33125	1.2
67.05510	44.7
69.03438	8.7
69.07074	18.7
71.05000	4.1
79.05499	50.2
81.03420	9.0
81.07063	45.2
82.05697	1.3
83.04983	7.7
83.08624	33.1
85.02908	3.7
85.06568	3.7
88.96008	1.1
91.05486	29.9
91.06031	2.3
93.07053	39.6
95.04979	100.0
95.08618	26.4
97.06550	8.9
97.10177	31.3
99.08138	1.4
99.75158	1.3
105.07037	32.9
105.07697	2.6
105.78761	1.2
107.04974	13.6
107.08605	46.0
109.06522	10.4
109.10167	16.8
110.46363	1.3
111.04424	1.5
111.08104	8.3
111.83154	1.3
113.09679	1.4
117.07027	14.1
119.08588	27.0
119.09373	2.0
121.06519	10.2
121.10158	21.9
123.08093	8.5
123.11733	3.2
125.09635	41.1
128.06270	2.3
129.07043	4.7
131.08575	15.5
133.06535	1.9
133.10133	20.1
135.08075	14.6
135.11699	9.3
137.06007	2.6
137.09645	4.1
138.06335	2.0
138.41391	1.4
141.07030	3.0
143.08597	4.9
143.10561	1.2
144.09377	1.5
145.06522	2.7
145.10132	29.8
147.08073	10.9
147.11708	12.1
149.09639	45.9
149.13330	2.8
151.11217	3.8
153.09134	7.8
155.08588	2.2
155.10719	1.8
155.79201	1.3
157.10156	4.1
157.12323	2.5
159.08028	1.6
159.11707	13.1
161.09706	5.5
161.13310	5.3
163.11197	41.8
165.12794	5.6
169.10147	5.3
171.10324	1.9
171.11737	4.4
173.09669	3.3
173.11919	1.6
173.13330	4.9
175.11223	2.9
177.12820	5.5
179.10689	2.6
179.14406	1.7
183.11725	2.4
185.13234	3.1
187.11162	8.1
193.12115	2.2
197.13358	4.5
203.12794	24.7
203.14511	2.0
205.12267	15.1
207.13702	2.2
219.13843	2.6
219.17621	3.5
229.19583	4.0
237.14861	30.2
239.18019	6.0
247.20657	6.0
257.18982	14.1
275.20093	96.2
287.03232	1.6
289.21780	3.3
307.22791	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03950	4.0
55.01875	4.8
55.05516	10.4
55.43071	0.6
57.03439	1.6
57.07077	1.1
59.05017	0.6
59.77794	0.6
65.03938	1.8
67.05506	20.8
67.29547	0.6
69.03426	1.4
69.07066	8.6
69.78760	2.5
69.79171	1.2
71.04996	2.4
73.65023	0.6
77.03922	0.6
79.05499	32.9
81.03414	3.8
81.07059	100.0
83.05003	3.4
83.08628	7.4
85.06551	2.1
91.05482	17.5
93.07043	15.0
93.77817	0.6
95.04970	7.8
95.08607	11.4
97.06540	5.6
97.10174	1.4
99.08099	1.1
102.71060	0.6
105.07037	15.9
107.04959	4.7
107.08607	10.2
109.06523	46.4
109.10174	5.6
111.08101	2.6
117.07024	4.3
119.08588	12.9
121.06528	2.5
121.10157	8.0
123.08072	5.9
123.11716	2.4
125.09657	1.1
129.07037	1.4
131.08574	8.8
133.06502	0.9
133.10144	12.6
135.08064	2.5
135.11681	5.2
137.06001	0.7
137.09656	3.0
139.11168	0.6
143.08578	1.5
145.06435	0.6
145.10126	7.4
147.08116	0.9
147.11685	11.7
149.09633	5.1
149.13284	6.6
151.07639	0.6
151.11183	2.6
157.10152	2.1
159.11710	4.8
161.09686	1.8
161.13272	2.1
161.55072	0.5
163.11194	4.6
163.14844	2.9
165.09126	0.8
165.12753	4.3
169.10199	0.8
171.11705	0.7
173.09663	1.3
173.13242	3.3
175.11189	3.6
177.12691	1.5
179.14328	0.7
183.11737	1.1
185.13358	1.2
187.11203	1.3
187.14871	1.5
189.12758	0.9
191.10692	0.9
191.14272	0.7
193.12244	3.3
201.16525	0.7
207.13783	1.3
215.18080	0.7
219.13829	1.1
229.19469	3.0
233.19124	0.8
239.17957	2.8
247.20630	5.7
257.19028	6.1
275.20074	56.9
289.21606	0.8
307.22714	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03859	2.4
55.01783	3.7
55.02072	1.6
55.05422	9.9
55.05718	2.3
57.03373	1.0
57.06985	2.4
59.04933	1.1
59.05186	0.6
65.03874	1.0
65.21612	0.8
67.05409	22.5
67.05811	3.2
67.86656	0.7
69.03365	1.2
69.06971	17.1
69.07389	2.7
71.04897	1.7
71.05255	0.7
72.06349	0.6
72.31300	0.6
77.03848	0.6
79.05389	15.6
81.03359	0.8
81.06954	27.6
81.07484	2.6
83.04881	6.9
83.08509	4.8
85.06445	1.6
85.06888	0.6
91.05373	15.9
93.06940	23.5
93.07565	1.6
95.04962	6.4
95.08501	16.5
97.06417	3.9
97.10039	2.2
105.07037	23.3
107.04976	6.6
107.08581	12.6
109.06512	9.6
109.10159	8.4
111.07993	1.3
116.06224	0.8
117.07008	6.6
119.08582	14.3
121.06517	9.8
121.10138	7.4
123.08051	4.8
123.11581	3.0
125.09531	1.1
128.06122	0.9
129.06915	2.5
131.08577	14.0
133.06392	2.8
133.10127	17.4
135.08076	4.4
135.11697	3.9
137.05916	1.4
137.09521	2.7
141.06941	1.0
143.08434	2.4
145.06422	1.8
145.10138	9.7
147.07962	2.5
147.11679	10.5
149.09610	6.1
149.13164	2.3
151.10184	0.6
151.11180	8.1
155.08456	1.9
157.10143	3.6
159.08023	1.5
159.11668	7.6
161.09662	3.3
161.13165	2.5
163.11172	6.9
163.14691	1.3
165.12695	1.3
169.10100	1.4
171.11604	2.1
173.09532	1.9
173.13289	5.6
175.11098	2.6
177.12691	2.8
179.14241	1.0
183.11658	2.2
185.13252	1.2
185.53185	0.7
187.11179	1.4
187.14774	1.7
189.12730	1.0
191.14253	2.9
197.13162	1.8
201.12669	2.5
203.14302	0.8
205.15891	0.7
207.13847	4.0
213.16238	0.9
215.14201	1.9
215.17911	1.7
219.13840	6.0
221.15186	0.7
229.19423	2.4
229.33710	1.0
231.17433	0.8
233.15433	1.5
239.17953	4.2
247.20648	3.5
251.16606	1.0
257.18970	11.8
275.20071	100.0
276.20529	0.8
289.21500	3.7
307.22723	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	3.5
55.01631	1.0
55.01875	13.7
55.05517	26.5
57.03426	2.2
57.07064	0.9
59.04987	2.1
65.03938	2.2
67.05512	24.5
69.03419	2.7
69.07069	12.6
69.66531	0.8
69.68829	3.3
71.02114	0.8
71.04989	1.6
79.05500	47.6
81.03419	2.3
81.06594	1.5
81.07062	25.1
83.05000	5.1
83.08629	14.1
83.09103	0.6
84.71588	0.8
85.06536	2.8
86.51108	0.7
91.05489	28.3
93.07056	22.6
95.04964	7.8
95.08072	1.2
95.08617	15.8
95.45178	0.8
97.06538	20.4
97.10176	22.4
98.21496	1.3
103.05505	0.8
105.07043	32.8
107.04960	12.7
107.08602	100.0
109.06527	4.8
109.10168	7.5
111.08088	2.9
114.48146	0.8
117.06998	6.1
119.06072	2.7
119.08593	18.5
121.06503	2.4
121.10152	9.4
123.08060	3.1
123.11723	2.9
124.97482	0.7
125.09642	24.2
129.06992	3.6
130.07777	1.0
131.08583	10.6
133.06442	1.0
133.10144	20.7
135.08052	9.5
135.11694	6.3
137.05948	1.5
137.09650	2.3
137.13297	1.3
138.06323	2.2
139.07582	1.1
141.06996	1.0
143.08557	3.4
145.06458	1.4
145.10144	17.0
147.08043	1.9
147.11696	13.8
149.09625	20.1
149.13258	2.7
151.11171	3.5
153.09126	5.7
153.12689	1.9
155.08553	1.3
156.09285	1.0
157.10168	3.9
157.12242	2.2
159.08102	1.5
159.11699	8.4
161.09564	2.3
161.13309	6.1
163.11211	5.6
165.09087	1.7
165.12756	1.3
168.09326	1.0
169.10115	2.9
171.10266	1.1
171.11693	3.5
173.11855	1.6
173.13264	5.4
175.11189	2.5
175.14851	1.0
177.12775	2.9
181.10022	1.1
181.12242	3.6
182.10988	1.3
182.81224	0.9
183.11684	3.0
185.11792	0.9
185.13280	2.5
187.11203	3.1
187.14796	1.8
193.12236	1.3
197.13313	3.9
203.12799	24.3
207.11659	1.7
211.14885	1.5
213.16565	1.0
215.14351	1.1
215.18047	1.3
221.13150	1.0
229.19522	3.5
233.13205	1.2
239.17921	8.5
247.20613	2.5
257.19019	13.8
275.20084	65.2
289.21710	13.6
307.22998	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01867	8.2
55.05511	27.2
57.03434	7.4
57.07066	4.2
59.04993	4.6
59.46442	1.5
59.71771	1.2
60.95906	1.2
64.13518	1.3
65.03942	2.9
67.05510	43.1
68.90144	1.3
68.99808	1.3
69.03418	5.2
69.06735	1.5
69.07078	23.9
71.04989	12.7
71.08636	1.4
71.52526	2.3
73.06552	2.6
78.50050	1.3
79.05496	46.5
81.03417	5.6
81.07059	55.5
83.04986	8.1
83.08627	12.8
85.02901	2.5
85.06550	8.5
87.04444	2.5
91.04908	2.8
91.05482	51.2
93.07048	45.6
94.07334	1.3
95.04980	17.5
95.08612	30.9
97.02887	2.6
97.06538	18.8
97.10181	12.0
98.98542	1.6
99.04456	1.8
99.08091	1.9
103.05489	1.9
105.04498	1.6
105.07036	49.8
107.04953	12.0
107.08597	36.1
108.05747	1.8
109.02876	2.5
109.06528	25.5
109.10172	19.0
111.04443	4.2
111.08060	5.1
113.05985	2.3
115.05470	2.1
117.07028	17.9
119.08586	49.9
120.54393	1.2
121.02893	10.3
121.06516	22.5
121.09338	1.9
121.10146	22.0
122.07278	4.2
123.04430	5.4
123.08062	14.9
123.11708	4.6
125.02315	2.3
125.05981	1.5
125.09640	9.8
128.06198	1.6
129.06976	5.7
131.08583	17.3
133.06500	4.2
133.10136	36.3
135.04437	1.9
135.08060	20.0
135.11711	8.5
137.06013	4.3
137.09631	15.6
137.13329	1.8
139.07533	4.5
139.11191	2.7
141.07001	2.1
142.07758	2.5
143.08556	5.9
145.06535	3.6
145.10130	18.0
147.08040	7.0
147.11696	27.1
149.06015	2.2
149.09644	11.9
149.13260	3.1
151.07536	3.1
151.11182	13.0
153.09120	4.5
155.08548	3.8
157.10147	6.3
159.08067	6.9
159.11725	12.4
161.09583	7.4
161.13278	5.7
163.07605	6.6
163.11195	14.2
165.09158	4.6
165.12764	11.8
167.08530	1.5
169.10130	5.0
171.11726	4.6
173.09644	3.8
173.11971	1.6
173.13275	9.7
175.11212	4.6
177.09166	2.5
177.12724	6.8
179.10594	1.8
179.14325	3.7
181.08641	1.4
181.10167	2.0
181.12323	1.8
183.11697	4.6
185.13252	4.1
187.11105	3.0
187.14883	3.1
189.11256	2.2
189.12796	1.9
191.10661	3.6
191.14258	1.7
193.10339	2.2
193.12224	17.9
195.11653	2.4
197.13338	6.6
201.12778	2.7
203.12712	1.5
203.14404	1.6
205.12260	2.3
209.13341	1.9
211.14816	2.0
213.05508	3.2
213.16344	1.8
215.14369	3.6
215.17920	1.6
219.13782	4.1
223.14952	3.0
229.19522	5.4
233.15414	3.3
239.12749	2.7
239.17995	9.3
243.17436	4.1
247.16878	3.5
247.20621	5.7
249.18636	1.5
257.19046	9.1
261.18518	5.1
265.17981	2.0
271.17001	8.6
275.20084	68.8
289.18011	31.8
289.21500	3.9
307.09628	3.5
307.19107	32.9
307.22665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03943	6.9
55.01876	17.1
55.05513	32.4
57.03439	3.7
57.07067	2.3
59.04981	2.1
59.86378	1.3
62.80524	1.3
65.03915	2.9
67.05511	39.1
69.03427	2.6
69.06729	1.8
69.07070	21.6
70.50317	2.1
71.04984	3.3
79.05496	50.2
79.41475	1.7
79.80141	1.5
81.03408	6.3
81.07062	52.0
83.04994	7.4
83.08627	18.9
85.06523	2.1
91.05488	33.3
93.07050	38.6
95.04984	13.9
95.08067	2.1
95.08615	28.9
97.06536	22.9
97.10166	17.9
105.04533	1.4
105.07034	31.2
107.04958	15.2
107.07887	3.2
107.08600	61.0
109.06522	17.6
109.10156	13.1
111.08073	4.5
113.05970	2.0
114.47942	1.4
117.07008	10.1
119.06087	2.4
119.07806	2.2
119.08588	25.2
121.02874	1.7
121.06516	7.7
121.10158	19.8
123.08077	10.7
123.11684	3.3
125.08915	1.7
125.09644	20.7
129.06999	3.6
129.25801	1.4
131.08554	13.5
133.06517	2.8
133.10141	24.4
135.08066	12.4
135.11713	9.8
137.05968	1.8
137.09607	5.7
137.13240	2.7
139.07581	1.7
139.11182	1.6
143.08556	2.8
145.10133	20.2
147.08009	2.9
147.11671	13.8
149.09644	17.9
149.13266	3.7
151.07538	2.6
151.11166	6.0
153.09116	5.2
155.08571	1.8
157.10112	3.8
157.12271	1.5
159.07990	1.5
159.11693	11.1
161.09583	1.8
161.13232	6.2
163.11182	12.3
165.09029	2.7
165.12761	5.5
169.10089	4.5
171.11673	5.0
173.09541	2.2
173.13263	6.0
175.11136	2.7
177.12747	4.3
179.10674	1.3
179.14207	1.7
183.11682	3.1
185.13342	2.9
187.11237	2.8
187.14830	2.5
189.12837	1.7
191.14218	1.9
193.12180	2.0
197.13261	3.8
201.12759	2.1
203.12814	12.9
205.12231	1.8
207.13838	1.4
213.16446	1.4
215.14336	1.5
215.17865	1.5
217.14311	2.2
229.19475	5.1
231.52646	1.4
239.17976	8.8
247.20554	7.9
257.18945	14.2
275.20074	100.0
289.17984	4.7
289.21582	8.5
298.97095	1.6
303.37201	1.6
307.15427	2.1
307.19687	3.1
307.22812	28.2
326.57971	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.01876	21.9
55.05512	29.3
57.03428	8.1
57.07065	7.8
59.05000	9.8
62.00699	5.1
67.05505	66.0
69.03426	9.8
69.07064	34.8
69.22736	26.8
69.23163	18.1
70.09270	4.3
71.04971	7.6
74.02822	4.2
79.05490	60.7
81.03400	12.7
81.07051	93.6
83.04975	16.3
83.08598	15.2
85.06543	7.0
91.05481	81.6
93.07039	62.6
95.04962	57.5
95.08158	3.8
95.08612	43.4
97.06530	50.1
97.10144	8.3
98.21524	11.6
99.04452	5.4
103.05463	5.7
105.06400	7.4
105.07032	87.1
107.04927	16.2
107.08588	48.8
109.06519	34.4
109.10159	33.7
111.08078	5.8
115.05443	7.1
117.07011	30.2
119.08579	78.7
121.02842	11.0
121.06488	19.5
121.10117	35.4
123.04440	6.3
123.08069	19.9
123.11680	7.4
125.05993	5.0
125.09634	12.5
128.06226	16.5
129.07010	25.5
130.07761	10.4
131.08556	39.4
133.06485	5.5
133.10118	100.0
135.08054	25.2
135.11702	11.2
137.09653	7.6
139.07556	6.0
141.06960	15.8
142.07791	25.8
143.08562	67.1
144.09302	8.0
145.06477	13.1
145.10100	55.2
147.08014	14.2
147.11653	26.7
149.09573	21.4
149.13316	5.5
151.07535	6.4
151.11150	9.3
153.06963	5.6
154.07765	8.8
155.08566	24.5
156.09323	17.0
157.10130	44.3
158.10869	14.3
159.07991	10.5
159.11696	36.3
161.09552	17.0
161.13284	6.4
163.07472	7.7
163.11168	16.9
165.07004	7.4
165.12718	8.1
167.08586	22.1
168.09300	12.8
169.10107	50.4
170.10847	6.1
171.11690	31.1
173.09605	7.1
173.13216	25.4
175.11139	8.1
177.12793	6.9
179.08501	10.6
181.10048	22.1
182.10898	28.8
183.11765	30.0
185.09622	6.1
185.13171	7.0
187.11137	13.2
187.14778	9.7
191.08458	6.5
192.09282	8.3
193.10112	20.6
193.12267	10.5
194.10880	12.8
195.11615	22.5
195.94891	5.9
196.12543	4.8
197.13268	38.2
199.14757	9.9
205.10080	5.0
206.10951	11.7
207.11656	21.3
208.12477	13.8
209.13313	28.7
211.14818	14.2
215.14246	6.9
218.10944	9.4
219.11697	11.6
220.12352	8.6
221.13313	24.6
222.13972	6.4
223.14815	18.2
231.11615	8.2
232.12337	5.1
233.13185	19.3
233.15265	6.3
234.13924	9.0
235.14793	13.5
237.16289	12.8
239.17851	8.3
245.13216	8.3
246.13937	7.4
247.14796	13.1
248.15651	10.0
249.16402	12.1
251.14198	11.9
251.17970	6.1
257.18954	9.1
259.14795	19.1
263.17932	23.6
271.16977	8.8
274.17151	12.1
275.20041	60.9
284.53430	5.0
289.17676	43.2
292.18243	6.6
307.09659	5.5
307.20255	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2058
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03936	6.3
55.01862	8.3
55.05513	10.9
56.18488	2.6
57.03437	4.3
67.05505	22.5
67.58852	2.3
69.03412	3.0
69.07068	11.0
70.03553	3.4
70.03893	10.0
71.04964	2.6
79.05499	25.5
81.06595	2.5
81.07057	33.5
83.04979	6.0
83.08628	2.3
89.22538	2.2
91.05490	29.8
93.07050	21.6
95.04964	37.8
95.08614	10.5
95.85898	2.1
97.06531	23.5
98.20853	4.4
103.05460	2.6
105.04557	2.4
105.07036	56.0
107.04956	3.8
107.08581	12.5
108.91353	2.6
109.06511	8.1
109.10152	6.3
113.74374	2.4
115.05425	6.0
116.06223	4.4
117.07001	16.3
119.08589	48.0
119.98660	2.4
121.06534	4.8
121.10152	11.6
123.08053	4.5
123.11732	2.5
128.06232	18.4
129.06984	21.2
130.07784	7.2
131.08574	24.8
133.09119	4.2
133.10138	79.3
135.11670	4.8
141.06972	11.6
142.07782	23.2
143.08572	48.6
144.09320	9.7
145.06433	2.9
145.10133	36.1
147.08034	8.9
147.11702	9.4
149.09630	4.6
153.06981	6.5
154.07727	7.7
155.08595	14.6
156.09349	19.0
157.10139	40.5
158.10875	11.2
159.08116	2.8
159.11700	29.1
161.09610	9.0
163.11215	2.7
165.06973	7.1
167.08563	25.8
168.09273	4.6
169.10094	29.9
170.10916	5.7
171.11723	20.4
173.09622	3.3
173.13280	20.3
175.11186	3.4
178.07765	5.4
179.08574	12.6
180.09265	5.7
181.10117	22.9
182.10921	29.0
183.11716	16.7
184.12430	4.8
185.09624	2.6
185.13214	6.2
187.11176	8.8
191.08557	3.1
192.09312	7.8
193.10100	18.4
194.10886	10.3
195.11711	18.0
196.12471	9.0
197.13245	39.1
198.14044	4.4
199.14778	7.1
203.08600	2.5
204.09407	2.3
205.10181	3.8
206.10884	14.9
207.11731	24.9
208.12491	13.5
209.13242	23.7
210.14078	3.0
211.14908	15.4
217.10103	8.3
218.10962	5.3
219.11758	11.2
220.12482	10.4
221.13217	26.2
222.13994	7.5
223.14758	19.8
229.09990	3.2
231.11632	5.9
232.12440	7.0
233.13248	20.4
234.14050	11.0
235.14792	10.1
236.15486	3.8
237.16338	10.8
239.17868	4.0
244.12524	5.6
245.13208	6.4
246.14037	6.8
247.14726	10.4
248.15646	8.5
249.16339	7.2
250.17157	2.4
251.14285	7.4
251.18037	4.1
259.14780	15.0
260.15500	3.0
261.16324	4.6
263.17957	23.4
265.15814	5.0
274.17191	13.8
275.20065	11.5
277.15958	3.6
279.21057	5.8
289.19525	18.2
292.18225	4.8
307.20535	100.0
309.63248	2.4
325.47852	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1906
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03937	5.4
55.01634	2.3
55.01879	26.8
55.05518	42.5
57.03441	4.2
57.07065	3.6
59.05001	2.6
65.03925	4.7
67.05510	44.4
69.03422	5.9
69.06732	2.4
69.07072	23.1
71.04988	4.2
71.08659	1.9
73.85399	1.7
79.05496	60.8
81.03415	6.9
81.07062	100.0
83.01324	2.7
83.04996	10.0
83.08623	20.1
85.06530	5.7
85.10154	1.6
85.92867	1.4
91.05486	51.3
93.06487	2.8
93.07051	46.2
95.04977	24.1
95.08611	27.3
97.02876	4.4
97.06538	21.9
97.10165	16.5
98.21564	2.4
99.04436	1.8
99.08086	2.6
103.05489	2.1
105.04528	1.7
105.07040	48.6
107.04972	25.8
107.08602	62.2
109.02887	18.2
109.05804	2.7
109.06528	39.1
109.10163	15.3
111.04431	2.4
111.08075	7.3
115.05466	3.4
117.07028	24.6
119.04945	4.5
119.08595	37.6
121.02863	7.0
121.06517	12.9
121.10159	16.6
123.04422	4.8
123.08088	10.1
123.11713	4.0
125.09638	22.2
128.06227	3.3
129.06982	4.9
131.08578	22.8
133.06526	4.4
133.10130	30.6
135.04475	2.2
135.08069	28.5
135.11694	9.7
137.06023	13.5
137.09596	11.5
138.06316	7.2
141.06993	2.9
142.07724	4.0
143.08582	12.4
145.06493	5.0
145.10149	20.0
147.08044	9.3
147.11700	15.6
149.05930	1.9
149.09633	21.1
149.13194	4.0
151.07545	2.9
151.11246	8.7
153.09111	5.1
155.08559	4.0
157.10110	10.8
159.08052	10.2
159.11711	12.9
161.09653	12.3
161.13301	4.5
163.07527	10.8
163.11182	11.8
165.09113	5.0
165.12743	4.1
169.10136	8.0
171.08183	2.2
171.11700	8.5
173.09642	7.4
173.13271	8.7
175.11127	3.6
177.09160	1.8
177.12741	5.6
179.10735	14.5
183.11708	4.5
185.13272	6.0
187.11220	6.0
187.14839	3.6
189.09122	6.6
189.11197	5.1
189.12733	4.1
191.10710	2.1
191.14380	1.9
193.10207	2.6
193.12289	5.6
195.11736	2.1
196.12410	1.7
197.09488	2.1
197.13255	2.6
201.12811	3.5
203.12808	9.5
205.12247	3.0
207.10201	4.9
211.14864	2.7
213.14648	1.8
215.14211	1.9
215.17847	2.8
219.17326	1.8
225.11169	3.5
225.16449	3.5
229.19551	3.3
239.17981	8.1
243.17479	16.5
247.20581	4.1
253.15854	2.5
257.19037	10.9
261.18463	17.8
263.17789	2.4
271.16974	11.9
275.20099	76.8
279.20837	2.3
289.17972	71.1
289.21472	6.6
307.15607	2.0
307.20142	5.5
307.23013	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.33496	1.8
53.03938	6.8
55.01874	26.5
55.05516	41.7
57.03441	55.8
57.07073	4.8
59.05003	1.8
65.03934	5.4
67.05507	61.0
69.03419	4.0
69.07069	29.2
69.14769	20.5
71.04989	6.8
77.03943	2.5
79.05495	64.4
81.03407	7.3
81.07059	79.6
83.04984	47.9
83.08620	18.0
85.06529	8.0
91.05488	62.2
91.06053	1.3
93.06491	3.1
93.07048	55.0
93.07961	2.3
95.04970	21.4
95.08617	47.5
97.06541	28.6
97.10176	12.2
99.04475	3.2
99.08072	2.5
102.04343	1.8
105.07037	53.1
107.04958	61.4
107.08598	58.5
108.05726	3.4
109.06523	30.2
109.10173	23.6
111.04448	32.1
111.08081	6.8
113.06004	5.0
113.09663	2.1
115.05334	2.2
117.07020	28.5
119.04919	2.5
119.08585	48.2
121.02892	2.4
121.06540	17.0
121.10147	24.7
123.04401	5.5
123.08097	14.5
123.11723	6.1
125.05978	4.9
125.09632	12.6
128.06241	4.2
129.07028	14.9
130.07767	2.1
131.04904	2.7
131.08566	26.4
133.06509	8.8
133.10121	29.8
135.08066	22.1
135.11705	13.9
137.04993	3.2
137.05975	32.3
137.09602	11.7
138.06320	22.5
139.07516	3.1
139.11166	1.7
141.06967	3.5
142.07761	2.9
143.08562	8.2
145.06438	7.1
145.10132	26.8
147.08052	12.4
147.11702	24.6
149.05956	5.9
149.09630	20.1
149.13277	3.8
151.07576	4.5
151.11160	8.3
153.09116	3.8
155.08542	5.7
156.09367	2.3
157.10156	10.2
159.08055	24.4
159.11713	18.7
161.05984	2.3
161.09648	10.1
161.13240	7.2
163.07582	9.1
163.11195	18.7
165.09160	4.5
165.12750	6.6
167.08501	2.6
169.10129	7.3
171.11748	10.2
173.09680	9.1
173.13219	11.9
175.11176	7.6
175.14752	2.1
177.09082	5.5
177.12755	18.8
178.13570	2.2
179.14325	3.7
183.11697	6.5
183.15715	2.3
185.09598	2.8
185.13226	2.4
187.11197	6.6
187.14824	7.6
189.09129	2.9
189.12741	7.4
191.14348	3.4
193.12189	1.9
197.13255	8.0
199.11125	3.8
201.09152	2.1
203.10982	1.8
203.12755	7.9
205.12164	2.9
205.15843	7.6
207.13869	3.1
215.14294	10.0
215.17940	3.7
225.16411	3.1
229.19664	3.8
233.15385	27.1
233.18996	3.8
239.17940	6.5
243.17389	8.8
247.16901	2.2
247.20610	8.0
251.14455	2.1
253.15829	8.1
257.19058	12.6
261.18481	20.7
271.16962	19.5
275.20065	100.0
289.15109	2.2
289.18011	57.6
289.21603	8.6
307.19501	6.8
307.22784	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03934	2.4
55.01882	9.8
55.05267	2.9
55.05513	31.8
57.03430	5.5
57.07078	1.7
67.05506	21.6
69.03434	6.4
69.07071	16.7
69.56630	5.6
69.57050	4.6
71.04982	4.3
72.48463	1.7
77.81042	1.4
79.05497	34.2
81.03416	4.9
81.07060	29.7
83.04992	6.6
83.08620	15.9
85.06566	2.0
91.04916	2.2
91.05485	27.5
91.37646	1.8
93.07049	53.1
95.04971	7.4
95.08610	14.8
97.06544	4.6
97.10180	19.4
105.07034	18.9
106.22647	1.5
107.04941	10.5
107.08595	37.6
109.02895	4.6
109.06532	15.6
109.10187	7.1
111.04478	3.2
111.08091	2.7
111.93453	1.6
117.07027	12.7
119.08604	18.9
121.02859	7.0
121.06522	8.7
121.10155	8.2
123.04457	5.2
123.08092	5.2
125.02303	1.7
125.09641	15.7
128.06171	1.8
129.07008	4.3
131.08580	9.8
133.06528	3.4
133.10139	7.8
135.08058	84.2
135.11685	4.4
135.30006	1.7
137.05989	3.1
137.09627	6.6
139.07535	3.5
143.08588	5.0
145.06447	8.1
145.10104	8.8
147.08046	6.5
147.11691	5.0
149.09630	5.5
149.13306	2.5
151.07596	2.1
153.09077	4.9
155.08591	2.9
157.10086	2.3
159.08099	9.4
159.11713	4.6
161.09668	4.2
163.07555	64.2
163.11244	5.4
165.12807	3.8
169.10155	3.1
171.11760	1.9
173.09665	4.4
173.13289	2.8
175.11302	2.5
177.12695	1.9
181.08580	2.0
183.11688	3.3
185.09639	2.2
187.11148	2.3
189.09355	1.7
189.11249	6.5
189.12747	1.9
191.10704	7.2
191.14372	1.7
193.12279	24.5
197.13309	2.1
209.15434	1.8
211.11197	2.4
215.14391	2.5
233.15395	3.0
243.17456	7.4
248.25693	1.7
253.15895	3.1
261.18494	7.5
261.22382	2.2
263.16473	3.2
265.29129	1.6
271.16965	20.6
275.20020	3.4
289.18002	100.0
289.21567	21.4
307.15506	3.5
307.19049	56.1
307.22696	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	307.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01882	9.8
55.05267	2.9
55.05513	31.8
57.03430	5.5
57.07078	1.7
67.05506	21.6
69.03434	6.4
69.07071	16.7
69.56630	5.6
69.57050	4.6
71.04982	4.3
72.48463	1.7
77.81042	1.4
79.05497	34.2
81.03416	4.9
81.07060	29.7
83.04992	6.6
83.08620	15.9
85.06566	2.0
91.04916	2.2
91.05485	27.5
91.37646	1.8
93.07049	53.1
95.04971	7.4
95.08610	14.8
97.06544	4.6
97.10180	19.4
105.07034	18.9
106.22647	1.5
107.04941	10.5
107.08595	37.6
109.02895	4.6
109.06532	15.6
109.10187	7.1
111.04478	3.2
111.08091	2.7
111.93453	1.6
117.07027	12.7
119.08604	18.9
121.02859	7.0
121.06522	8.7
121.10155	8.2
123.04457	5.2
123.08092	5.2
125.02303	1.7
125.09641	15.7
128.06171	1.8
129.07008	4.3
131.08580	9.8
133.06528	3.4
133.10139	7.8
135.08058	84.2
135.11685	4.4
135.30006	1.7
137.05989	3.1
137.09627	6.6
139.07535	3.5
143.08588	5.0
145.06447	8.1
145.10104	8.8
147.08046	6.5
147.11691	5.0
149.09630	5.5
149.13306	2.5
151.07596	2.1
153.09077	4.9
155.08591	2.9
157.10086	2.3
159.08099	9.4
159.11713	4.6
161.09668	4.2
163.07555	64.2
163.11244	5.4
165.12807	3.8
169.10155	3.1
171.11760	1.9
173.09665	4.4
173.13289	2.8
175.11302	2.5
177.12695	1.9
181.08580	2.0
183.11688	3.3
185.09639	2.2
187.11148	2.3
189.09355	1.7
189.11249	6.5
189.12747	1.9
191.10704	7.2
191.14372	1.7
193.12279	24.5
197.13309	2.1
209.15434	1.8
211.11197	2.4
215.14391	2.5
233.15395	3.0
243.17456	7.4
248.25693	1.7
253.15895	3.1
261.18494	7.5
261.22382	2.2
263.16473	3.2
265.29129	1.6
271.16965	20.6
275.20020	3.4
289.18002	100.0
289.21567	21.4
307.15506	3.5
307.19049	56.1
307.22696	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	307.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19924	0.4
56.05038	2.3
58.06604	3.9
69.03425	1.0
69.07099	0.8
70.06624	0.5
70.09365	0.5
70.09701	1.8
71.74306	0.5
81.03429	0.9
81.37709	0.5
84.04514	24.9
84.08148	100.0
85.02906	3.4
86.06070	6.4
86.09711	7.0
88.04002	1.1
97.02932	0.9
97.80505	0.5
98.09723	0.5
99.04471	1.7
103.03945	2.8
105.07109	0.5
127.03919	4.0
130.04962	0.6
130.08669	1.4
139.03854	0.7
141.13861	5.9
142.08691	0.4
145.04956	1.5
147.04466	0.5
154.12242	0.5
163.06068	0.5
169.13377	9.2
198.11221	2.2
215.12312	0.5
215.13922	39.1
243.17058	55.8
249.09229	0.5
262.11081	4.2
307.16876	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	307.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38870	1.1
53.03940	5.4
55.01875	7.8
55.05511	7.4
56.87539	1.1
57.03443	6.9
61.02922	3.1
64.40095	1.3
67.05502	9.4
69.03431	31.5
69.07079	7.7
70.06586	1.9
71.01358	1.9
71.04990	17.2
71.51344	1.5
72.08157	1.4
72.78764	1.1
73.02917	4.6
76.03962	1.8
79.05494	11.6
81.03422	44.8
81.07069	13.0
83.01355	1.4
83.04987	7.7
83.08623	7.7
84.04500	5.8
84.08128	3.0
85.02909	87.8
85.06538	7.9
85.49706	1.2
87.04470	2.8
91.05483	9.8
93.07051	10.4
95.01326	1.6
95.04984	8.3
95.08611	6.3
97.02898	21.3
97.04034	1.4
97.06532	3.6
98.98466	1.5
99.04459	41.6
99.08073	7.9
100.84526	1.3
101.02355	1.8
102.40343	1.3
103.03948	72.6
105.03402	3.1
105.07047	8.9
105.07681	1.4
107.04964	13.0
107.08595	7.0
109.02882	21.9
109.06508	4.2
109.10174	4.0
111.04454	6.3
111.08100	2.6
113.02365	2.8
115.03932	2.3
115.07561	2.7
117.07004	1.8
119.04902	2.0
119.08561	3.7
120.08128	2.3
121.06511	3.5
121.10164	4.9
122.28448	1.1
123.04431	9.8
123.08025	2.3
123.11700	1.4
125.06013	2.2
125.09633	10.8
127.03922	100.0
127.07559	2.9
129.05446	1.9
129.07042	3.0
129.09158	1.4
130.05028	1.5
130.06497	1.6
131.08545	3.6
132.95821	1.4
133.02844	1.6
133.06468	4.2
133.10150	6.3
135.04457	1.6
135.08029	3.5
137.05945	3.9
139.03912	4.7
139.11172	1.4
140.07010	1.5
141.05476	1.7
143.07101	1.9
143.08296	1.2
145.04967	36.5
145.08578	2.3
145.10167	2.8
147.04428	10.2
147.08086	1.6
147.11678	4.3
148.18993	1.2
149.06052	1.5
149.09622	12.7
151.11218	1.8
155.07019	3.9
157.10132	3.7
161.06075	1.5
163.06055	6.5
165.05475	13.1
167.10666	1.5
171.11714	3.6
175.07445	1.9
175.11127	6.7
176.96968	1.9
179.03513	1.9
179.07008	3.8
181.10052	1.5
187.06050	14.2
189.12764	4.3
193.12233	5.0
199.11197	1.8
205.07140	8.1
207.13750	6.1
211.13321	5.4
215.13945	1.7
217.12207	9.7
235.13289	48.0
243.17172	1.5
253.14362	29.3
271.08130	2.0
271.15344	7.9
289.08975	1.6
289.16464	1.8
307.13086	4.9
307.16360	2.8
325.53613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1542
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
54.36621	0.4
55.01868	1.1
55.05511	3.2
56.05051	0.5
57.03436	1.0
57.07069	0.9
59.04990	0.6
67.05227	0.4
67.05509	3.7
69.03436	3.4
69.07076	3.7
69.34335	3.4
70.06580	1.1
71.04980	1.3
72.08157	0.5
73.02904	0.5
77.03948	0.4
79.05489	2.7
81.03410	2.3
81.07059	6.6
83.04990	1.2
83.08614	0.8
84.04486	0.8
84.08155	0.7
85.02911	5.1
85.06519	1.9
87.04469	0.7
88.07652	0.5
89.54962	0.5
91.05489	3.4
93.07029	3.5
93.79759	0.4
95.04965	1.2
95.08613	2.7
95.16659	0.4
97.02901	1.6
97.06536	0.9
98.21465	0.8
99.04453	3.9
103.03954	5.5
103.05453	0.6
105.07030	4.4
107.04950	0.5
107.08590	3.3
109.02866	1.9
109.06519	7.4
109.10153	2.4
110.07206	0.7
111.08089	1.4
111.11713	0.7
115.05445	1.3
117.07020	10.2
119.04935	0.8
119.08588	6.2
120.08143	0.4
121.06520	2.3
121.10166	1.8
123.08092	1.3
123.11709	1.2
125.06023	0.6
127.03931	7.4
127.07587	0.5
127.32626	0.4
128.06201	1.1
129.07002	2.1
130.06667	0.4
130.07799	0.4
131.08582	6.1
132.10193	0.9
133.06485	0.6
133.10185	1.3
135.08041	2.2
135.11641	0.7
137.05995	1.5
139.07532	1.6
139.11180	0.8
141.06998	1.7
142.07771	2.6
143.08572	3.9
144.09338	0.9
145.04976	1.7
145.06473	1.7
145.10139	3.8
146.07204	0.6
146.73962	0.4
147.08061	4.6
147.11691	1.6
149.02332	3.2
149.05965	1.3
149.09627	0.6
149.13254	0.8
151.07564	1.4
153.06993	2.2
155.08563	4.5
156.09348	0.5
157.10123	4.7
158.10875	0.9
159.08087	2.4
159.11710	5.1
161.09637	1.5
161.13206	0.7
163.06206	0.8
163.07535	4.6
163.11195	1.1
164.08302	0.4
165.09151	0.6
167.08548	0.7
167.10709	0.6
168.09357	6.8
169.10153	1.2
171.08159	0.8
171.11734	0.7
172.08862	1.2
173.09630	2.0
173.13254	4.5
175.07581	1.6
175.11186	1.1
175.14899	0.8
177.09177	1.0
177.12885	0.7
178.07959	0.4
179.14310	0.5
183.11700	17.5
185.09668	0.9
186.10379	0.8
187.06036	0.9
187.07487	0.8
187.11220	1.9
187.14755	0.6
188.08421	0.4
189.09106	1.4
191.10698	0.8
191.14449	0.6
193.10210	0.8
196.08788	0.9
199.07497	0.6
199.11322	0.4
201.12753	6.0
203.06898	0.5
203.10698	2.1
205.07043	0.9
205.12303	0.8
211.11108	2.9
214.09962	1.3
219.13824	1.5
229.12236	14.9
229.15701	0.6
233.11775	1.0
233.15312	0.6
247.13275	5.1
271.17050	0.5
289.14856	0.5
289.18051	1.7
289.25226	0.5
307.15411	100.0
307.26520	9.9
308.15900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74790	0.7
53.03948	5.8
55.01877	1.7
55.05503	0.7
56.81811	0.8
57.03440	4.6
61.02928	3.7
61.91149	0.7
67.05499	1.1
69.03440	24.8
69.42898	0.8
70.06593	1.9
70.90466	1.0
70.90825	1.3
71.05002	6.0
73.02927	5.6
73.52681	0.7
81.03427	27.2
84.04514	1.0
85.02915	83.8
86.09763	0.8
87.04497	0.7
87.63273	0.6
90.22151	0.6
97.02900	23.8
99.04465	43.5
101.02380	1.0
101.98801	0.6
103.03954	79.6
107.04939	0.9
109.02896	22.1
119.21633	0.6
127.03933	100.0
130.06573	1.0
131.08710	0.6
133.64629	0.7
139.03955	1.2
142.10727	0.7
142.59254	0.6
145.04973	28.9
149.04077	0.7
157.07664	0.7
158.06064	1.3
163.06027	6.8
187.06042	16.2
205.07120	7.8
253.07047	1.2
271.08081	3.7
289.09189	1.2
307.13202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1541
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
53.03955	1.0
54.87908	0.6
55.01871	2.4
55.05513	3.9
57.03430	1.5
57.07067	1.8
57.81714	0.6
63.59759	0.6
67.05513	6.6
69.03423	2.7
69.07070	7.2
70.06596	0.7
71.04996	1.1
71.52578	0.9
79.05502	6.7
81.03407	1.2
81.07064	13.0
83.04977	1.6
83.08620	3.2
84.08113	0.6
85.02921	1.2
85.06546	2.3
85.77484	0.5
86.84399	0.6
91.05481	5.7
93.07061	7.2
95.04989	3.4
95.08611	6.5
97.02872	0.7
97.06525	1.9
97.10178	1.1
98.98476	0.7
99.04431	0.8
103.03925	0.7
105.07052	6.1
107.04948	1.9
107.08609	6.9
109.06522	9.8
109.10184	4.9
111.04471	1.5
111.08096	1.4
111.11694	1.0
113.06062	0.8
117.07026	10.9
119.00014	0.6
119.08588	8.4
121.06490	3.3
121.10157	5.3
123.08086	4.1
123.11718	2.0
125.05997	0.7
125.09641	1.3
127.03976	1.0
127.07526	0.9
128.06212	1.5
129.07027	2.3
131.08571	7.1
133.06493	0.9
133.10144	2.9
135.08058	5.0
135.11708	2.9
137.06012	1.9
137.09633	2.1
137.13301	1.0
139.07558	2.8
141.07076	1.5
142.07808	1.3
143.08560	3.9
145.06519	2.3
145.10130	5.8
147.08054	5.2
147.11716	2.9
149.05977	1.4
149.09608	2.0
149.13272	0.8
151.07550	8.8
151.11195	0.8
153.07037	1.9
155.08534	4.2
156.09367	1.6
157.10150	5.6
159.08086	2.8
159.11707	5.2
161.05969	0.8
161.09636	2.4
161.13297	1.1
162.21098	0.8
163.07562	5.8
163.11182	2.3
163.14793	0.7
165.09140	1.2
165.12749	1.2
168.09370	4.8
169.10202	1.4
171.08098	1.0
171.11769	0.9
172.08803	0.9
173.09610	3.3
173.13249	4.5
175.07608	1.4
175.11194	1.7
175.14883	0.8
177.09041	0.9
181.10124	0.7
181.12247	0.9
183.11714	18.8
185.13222	0.8
186.10571	0.9
187.07484	0.7
187.11232	2.9
189.09164	1.5
189.11108	0.7
189.12801	2.4
191.10681	0.9
193.10217	0.7
193.12268	2.7
201.12675	6.4
203.10771	2.7
207.13866	2.6
211.11214	3.0
219.13794	1.4
229.12247	13.9
230.12453	0.8
233.11752	0.8
247.13310	4.6
247.16920	0.9
253.16054	1.1
261.18460	1.3
271.16980	2.7
289.14847	1.4
289.17914	7.6
289.25378	1.9
307.15454	100.0
307.19028	10.5
307.26123	7.6
308.15909	1.4
319.83902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01866	2.3
55.05497	1.3
57.03439	4.7
59.17261	0.7
61.02921	2.7
65.54868	0.7
67.05476	0.8
69.03432	27.2
69.07043	0.7
70.06567	1.0
70.84700	1.4
71.04996	7.3
73.02917	3.4
74.81060	0.7
75.52308	0.7
79.05504	0.9
81.03423	28.9
81.07068	1.0
83.01345	0.8
83.05011	0.9
85.02906	75.8
87.04481	1.0
91.05481	1.4
93.07063	1.4
95.04968	0.7
97.02296	1.4
97.02895	20.6
99.04456	42.9
100.11263	1.0
101.02375	1.0
103.03944	81.6
105.07034	0.8
105.74943	0.7
109.02882	21.5
109.10161	1.0
115.03951	1.1
121.10158	0.9
127.03919	100.0
130.06526	0.9
131.08586	0.7
145.04968	25.3
147.09148	0.7
154.14180	0.7
163.06036	6.7
169.04991	0.7
173.07088	1.5
187.06009	12.3
187.86327	0.7
191.08199	9.4
205.07050	9.7
244.74480	0.7
271.08179	2.8
307.06104	6.7
307.12958	8.9
307.19186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03711	1.0
53.03944	4.9
55.01863	2.1
55.05492	1.7
57.03443	5.2
61.02910	3.3
65.27225	1.1
67.65188	0.9
69.03433	30.7
70.06589	3.4
71.01346	1.1
71.04998	7.4
71.30267	1.3
71.30611	0.9
72.08128	1.0
73.02905	4.2
73.16299	0.8
81.03423	29.4
84.04478	1.4
84.08124	2.5
85.02911	86.5
86.09692	1.8
87.04449	1.3
88.08896	0.9
91.69733	0.8
97.02895	28.5
99.04458	46.4
101.02381	1.0
103.03947	79.7
107.24779	0.8
109.02894	21.8
115.03922	1.6
119.78963	0.9
120.35609	0.9
123.47190	1.0
127.03925	100.0
129.10234	1.4
130.06488	2.7
132.04424	1.4
145.04961	33.5
151.43283	0.9
157.07602	2.4
158.06032	4.2
158.07233	0.9
163.06012	5.2
169.05093	1.0
175.08688	2.4
187.04420	1.6
187.06024	17.1
205.07056	10.4
207.62851	0.9
227.59464	1.0
261.08771	2.5
271.07990	2.8
295.30383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01860	2.1
57.03430	4.3
61.02933	3.8
69.03436	25.2
69.96856	2.7
71.04999	6.3
72.08163	0.8
73.02906	5.0
79.05521	0.8
81.03428	24.4
83.04978	0.8
84.04510	1.1
85.02912	79.8
87.04479	2.2
90.42895	0.8
91.03967	1.2
97.02899	22.4
99.04462	45.3
101.02395	1.6
103.03952	77.8
108.04523	0.8
109.02892	22.5
115.03963	1.2
127.03928	100.0
139.03900	0.8
140.07042	0.7
140.95525	0.7
145.04968	29.9
163.06032	5.6
187.06020	16.8
188.34605	0.7
205.07042	7.6
235.13287	0.8
253.07141	1.7
271.08206	2.5
289.09186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01889	1.5
55.05511	1.2
57.03433	4.6
61.02930	3.2
64.85034	0.6
68.54506	0.7
69.03431	28.7
69.70560	3.3
71.04996	6.0
73.02931	3.9
79.05499	0.9
79.13257	0.6
81.03422	23.8
81.07054	1.4
83.01339	0.9
83.04998	0.8
84.04528	0.8
84.08148	0.9
85.02908	91.6
87.04464	1.4
91.03939	1.0
93.07043	1.1
95.08604	1.1
95.82220	0.7
97.02892	27.7
99.04456	46.1
101.02367	0.8
103.03946	80.5
103.94954	0.6
105.06928	0.7
106.96419	0.7
109.02885	19.9
109.10196	0.9
115.03922	0.8
120.08091	1.7
121.10107	0.9
127.03922	100.0
139.03915	0.9
145.04970	32.2
145.10107	0.9
147.04395	0.7
163.06052	7.6
187.06042	11.6
205.07097	7.5
248.96732	0.6
271.08112	3.3
289.09036	1.4
305.42596	0.7
307.19092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
54.84607	0.5
55.01871	2.1
55.05524	2.0
56.60332	0.5
57.03445	4.6
58.79360	0.5
61.02933	3.6
65.62753	0.5
67.05507	1.6
69.03437	26.7
69.07071	2.9
70.68800	1.4
71.01350	0.7
71.05000	7.3
73.02935	4.2
79.05518	1.7
81.03426	25.8
81.07069	3.0
83.04984	1.4
83.08643	1.0
85.02914	82.9
87.04456	0.8
90.24297	0.6
91.05484	1.6
93.07048	1.7
95.04990	0.8
95.08605	1.7
97.02901	23.8
97.03528	1.2
97.06560	0.9
99.04463	46.7
101.02380	0.8
103.03953	87.3
105.07068	1.4
107.08602	1.6
109.02891	23.5
109.06538	0.9
109.10170	2.3
111.08088	1.0
115.03946	1.0
119.08551	1.4
121.06515	0.8
121.10147	1.2
123.08044	0.7
127.03930	100.0
131.08594	0.9
133.10141	0.7
135.11731	0.5
139.03954	1.0
139.11189	0.7
145.04974	34.2
145.10191	0.7
147.08075	0.9
149.02435	0.7
150.94302	0.5
152.07036	0.7
163.06046	6.7
163.11218	1.2
165.12654	0.7
173.13255	0.6
179.34537	0.6
181.04863	0.8
187.06032	16.1
187.14752	0.6
205.07089	7.7
207.87509	0.6
218.66357	0.6
223.26984	0.7
233.11777	0.8
233.15396	1.0
241.05885	0.6
253.07230	1.0
271.08170	3.4
289.09018	1.4
289.17914	1.0
307.10031	1.3
307.15744	0.7
307.18842	2.8
307.26270	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	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
54.92043	0.5
55.01878	3.1
55.05518	1.1
57.03443	4.1
61.02945	3.1
62.11174	0.5
67.05508	1.4
69.03436	27.9
69.07062	0.8
70.10979	2.2
71.01352	0.6
71.04996	7.0
73.02927	4.2
79.05490	2.0
81.03424	24.8
81.07066	2.1
83.01333	1.0
83.04977	1.3
84.11716	0.5
85.02912	76.6
85.06543	0.7
87.04475	1.5
91.03953	0.7
91.05495	1.6
93.07059	2.2
95.04974	1.4
95.08606	1.8
97.02902	23.3
97.06525	1.0
98.98457	0.9
99.04463	38.5
101.02407	1.1
103.03951	79.5
105.07037	1.7
107.04934	0.8
107.08579	0.7
109.02890	21.8
109.06544	1.3
109.10139	1.0
115.03923	0.8
119.08598	2.1
121.06533	0.9
121.10148	0.9
123.08078	0.9
127.03927	100.0
127.77970	0.5
131.08562	0.8
133.10150	0.7
135.08032	1.1
139.03909	0.7
143.08607	0.7
145.04971	27.7
145.10239	0.7
147.08070	0.5
147.11760	0.8
149.09645	0.6
163.06020	6.2
182.65462	0.6
187.06042	15.8
187.07698	0.9
205.07089	8.7
213.12502	0.5
233.11780	0.6
261.15665	0.5
271.08044	2.5
289.09277	0.7
289.17969	1.3
307.09863	0.9
307.15750	0.9
307.19196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96579	1.3
53.03941	5.1
55.01869	2.2
55.05517	1.6
55.75856	1.1
57.03428	3.5
59.04995	1.7
61.02927	2.6
69.03088	1.8
69.03436	25.8
70.96229	2.5
71.04988	9.7
73.02917	4.7
80.10376	1.3
81.03421	22.5
84.78299	1.3
85.02912	87.8
91.04005	1.3
97.02907	24.4
99.04463	43.4
101.02412	1.6
103.03951	76.6
109.02887	19.3
110.46896	1.3
115.03876	1.4
127.03927	100.0
129.13419	1.3
130.06480	5.6
132.04530	1.8
145.04973	32.9
157.07611	6.9
158.06030	8.2
163.06029	6.1
175.08670	5.2
187.06049	14.8
205.07045	6.1
233.94371	1.2
253.31139	1.3
261.08795	3.4
271.08118	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
53.96014	0.5
55.01862	1.8
55.05508	0.9
55.40668	0.6
57.03439	4.3
60.06151	0.5
61.02923	2.4
66.20342	0.6
67.05518	1.5
69.03430	30.4
69.07064	0.8
69.76701	3.1
70.06561	0.7
71.04993	6.6
73.02912	4.8
79.05486	0.9
81.03423	27.9
81.07053	0.9
83.04985	0.9
84.08152	0.7
85.02908	80.3
87.04492	0.9
91.03956	0.8
91.05492	0.9
93.07074	0.8
97.02891	23.1
99.04458	40.2
101.02377	1.1
103.03944	77.4
107.08597	0.6
109.02886	23.2
109.10149	1.0
110.81504	0.6
114.71639	0.6
115.03974	1.2
119.08575	0.7
127.03920	100.0
136.07582	0.9
138.09132	1.3
139.03929	1.1
145.04965	29.8
152.07039	0.7
163.06041	5.5
164.07088	2.1
169.04922	0.8
187.04413	1.2
187.06027	17.3
205.07068	10.0
253.07001	0.7
261.09995	0.9
263.10330	0.9
264.89801	0.6
271.08072	2.6
279.34018	0.6
289.17917	0.8
307.10123	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75570	0.6
53.03951	4.0
53.31134	0.6
55.01875	1.0
55.05502	1.3
57.03439	4.6
61.02921	3.8
67.05517	0.9
69.03432	26.6
69.07084	0.9
69.33363	4.7
71.05000	5.9
71.30608	0.5
72.08144	0.6
73.02914	4.4
79.05493	1.3
81.03423	24.9
81.07056	2.3
83.04977	0.7
85.02908	76.7
87.04485	0.9
87.87237	0.6
89.00925	0.5
91.05491	1.5
93.07042	1.0
95.08617	1.2
97.02898	25.4
97.03535	1.3
98.97555	0.9
99.04459	42.4
101.02376	0.7
103.03946	81.8
105.07019	1.6
107.08575	1.3
109.02883	18.8
109.10164	1.1
115.03930	1.3
119.08527	0.8
121.06516	0.8
127.03923	100.0
133.10097	1.3
135.08009	0.8
139.03923	0.8
145.04962	32.2
157.10226	0.6
163.06046	5.7
169.04951	0.8
173.09554	0.7
187.06026	14.6
205.07086	8.9
250.48517	0.6
271.08151	3.4
289.09076	1.2
289.17911	1.1
291.91449	0.6
307.09970	1.8
307.19046	1.9
320.53546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06741	0.7
57.03439	0.8
60.21188	0.6
65.86155	0.8
69.03424	4.1
70.56269	0.8
70.56611	1.9
71.04969	0.9
71.53053	0.7
81.03412	2.0
82.02917	0.8
82.20738	0.7
85.02916	10.8
87.00819	2.9
94.06570	2.2
97.02882	3.1
97.61377	0.6
99.04464	4.7
102.75392	0.7
103.03951	11.5
103.05415	1.0
104.85169	0.7
109.02885	2.7
123.04423	1.1
126.16901	0.9
126.62611	0.8
127.03934	12.5
130.06531	94.7
132.04456	24.5
145.04950	4.8
146.06050	4.8
157.07619	85.1
158.06020	100.0
159.97595	0.7
166.18298	0.8
173.07089	4.7
175.08679	51.7
176.07076	1.3
187.06104	1.5
197.07091	2.2
199.08661	3.1
201.06567	6.0
203.08162	4.6
221.09267	3.7
225.06602	1.8
235.13214	0.9
243.07674	12.3
245.09218	2.3
247.07185	3.2
261.08713	54.9
271.07236	2.7
286.49603	0.9
289.08176	15.7
307.09302	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	306.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96029	0.5
57.07079	100.0
59.99112	11.8
59.99400	0.9
67.05495	1.1
79.05487	1.3
85.07682	1.7
86.06068	18.3
94.29230	0.5
95.04989	1.3
98.20814	1.8
102.03780	2.5
102.99653	1.0
106.06557	64.8
116.05321	45.9
137.05968	7.7
141.13876	0.9
142.12231	0.7
145.04314	11.3
172.77461	0.6
201.10576	76.1
202.10968	0.6
208.05403	5.3
250.10031	2.7
261.36755	0.8
306.16327	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	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.1
55.01859	0.1
55.05503	0.1
57.03431	0.1
57.07060	0.2
58.02946	0.3
65.03934	0.1
66.04716	0.3
67.05500	0.4
69.07072	1.4
70.81074	0.1
70.81417	0.2
77.03924	0.1
79.05499	0.6
81.07060	0.8
83.08607	0.2
84.08133	0.2
91.05487	0.6
91.58032	0.1
93.07024	0.5
94.03616	0.1
94.04184	1.6
95.04962	0.1
95.08592	0.3
97.06522	0.2
98.09708	0.1
98.19785	0.1
100.07623	0.3
105.07034	0.3
107.04942	0.2
107.08611	0.5
109.06518	0.2
109.10183	0.7
111.11732	0.1
112.07607	0.1
114.09190	0.4
122.03654	5.8
123.11700	0.1
126.09125	0.5
133.10138	0.8
135.11705	1.0
137.05980	100.0
138.06313	0.3
138.12761	0.1
147.11717	0.1
151.11186	0.4
153.12743	1.0
155.01886	0.1
170.15416	2.0
182.15413	3.3
249.07365	0.1
274.18887	0.1
306.20688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01884	6.8
55.05511	7.6
57.03443	1.6
57.07079	7.1
58.12848	0.9
67.05512	16.0
69.03416	3.4
69.07073	14.2
69.28885	8.1
70.06588	1.9
71.04974	2.3
71.08635	12.5
72.04510	0.9
72.08129	1.4
77.81241	1.0
79.05492	8.9
81.03415	1.3
81.07068	19.3
83.04967	2.4
83.08615	2.9
84.08125	2.7
84.89067	0.9
85.06537	3.8
86.06070	2.7
86.09698	1.9
86.64502	1.1
91.05488	9.8
93.07056	18.5
95.04975	19.1
95.08612	34.3
97.06535	7.5
97.10140	1.5
98.09670	1.1
98.20731	2.5
99.08104	9.1
100.07634	1.6
105.07049	11.0
107.08605	12.7
109.06525	31.0
109.10166	9.9
111.08070	1.7
112.07573	1.2
112.11242	1.8
117.07028	3.9
119.08604	10.4
121.06541	9.8
121.10183	4.7
123.08088	5.1
123.11736	1.4
123.49876	1.0
131.08585	9.7
133.10165	6.8
135.08083	5.6
135.11691	2.1
137.05984	25.5
137.09599	6.5
141.09099	1.4
142.12289	1.2
143.08598	1.3
145.10164	5.3
147.11705	4.8
149.09654	2.4
149.13264	2.2
151.14847	1.7
153.12733	2.7
154.12302	8.1
157.10175	1.2
159.11809	2.1
163.11209	6.6
163.14798	3.0
165.12767	100.0
165.50119	1.0
171.11757	1.7
173.13275	9.0
175.11252	6.9
175.16762	0.9
177.12766	3.8
177.44289	0.9
179.14337	2.7
183.11684	2.0
184.13377	5.1
187.14890	1.3
191.14317	16.2
192.13844	1.8
201.12741	3.1
205.15895	2.3
208.17036	3.2
221.15460	2.4
243.20981	1.5
250.18108	2.8
252.78818	1.1
253.19608	1.3
261.22192	3.6
271.20581	7.1
288.23212	2.8
289.18356	1.8
289.21643	56.3
306.24313	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	16alpha-Hydroxydehydroepiandrosterone
Peak:m/z	Relative Intensity
52.27804	3.0
52.91415	3.1
53.03941	6.7
55.01858	7.8
55.05516	24.5
57.03410	3.5
57.07077	7.7
59.04987	6.3
67.05508	30.0
68.26755	3.2
69.03425	8.2
69.07069	19.6
69.21006	11.3
69.21431	20.0
70.06584	3.3
71.04989	14.8
79.05498	32.9
79.95191	3.2
81.03416	14.8
81.07063	71.1
83.04979	12.9
83.08610	14.9
85.06550	35.5
91.05465	31.1
93.07053	38.9
95.04970	26.2
95.08615	29.0
97.06529	7.9
98.20721	7.4
105.07037	38.4
107.04952	14.3
107.08594	39.4
109.06521	35.0
109.10164	18.3
111.08096	15.7
113.06013	69.4
117.07026	12.1
119.07816	4.1
119.08595	41.5
121.06480	17.3
121.10151	28.8
123.04433	3.5
123.08073	32.7
123.11723	3.1
125.05989	7.2
125.09641	14.4
129.07007	8.6
131.08560	28.4
133.06493	10.0
133.10133	24.0
135.08052	15.1
135.11697	14.6
137.05995	11.6
137.09624	11.2
141.07071	4.5
142.07771	7.9
143.08598	20.8
144.09352	3.6
145.10133	31.0
147.08078	19.1
147.11679	20.6
149.09668	17.8
149.13225	5.5
151.11179	11.9
153.09077	11.9
155.08524	4.3
156.09392	9.3
157.10130	24.8
159.08072	7.8
159.11740	15.4
161.09654	15.7
161.13261	3.9
163.11136	16.4
163.14790	5.0
165.06857	4.3
165.09143	5.9
167.08531	4.1
169.10139	6.7
171.11691	24.7
173.09648	13.1
173.13290	17.2
175.07527	5.8
175.11186	12.2
175.14862	10.0
177.12738	8.2
181.10153	8.9
183.11679	5.7
185.09653	4.1
185.13248	11.1
187.11153	6.1
187.14857	6.2
189.12671	18.9
191.10510	4.0
191.14276	7.0
193.12271	11.5
195.11603	5.3
197.13290	9.4
199.11209	9.8
203.14354	5.8
205.12285	4.5
207.13889	4.3
209.13248	3.8
211.14781	5.6
213.12822	5.1
213.16400	10.9
215.14384	4.5
217.12309	7.1
227.14325	3.5
227.17960	8.4
229.15897	4.8
231.13766	9.7
231.17404	5.0
237.16402	9.0
245.18886	7.3
247.17003	16.9
255.17430	28.7
263.16534	3.6
269.15118	3.7
269.19095	5.4
273.18512	66.6
287.16534	9.0
287.20050	28.5
305.05566	3.6
305.17456	27.8
305.21115	100.0
305.28519	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	305.2113
Annotation	Flavoglaucin
Peak:m/z	Relative Intensity
53.03939	5.5
55.01874	11.5
55.05275	1.9
55.05514	26.5
57.03432	1.4
57.07070	1.6
59.04988	1.7
59.74105	1.3
65.03938	1.9
67.05507	24.8
69.03439	6.6
69.07079	10.1
71.04990	2.2
71.51905	1.5
79.05500	44.7
81.03407	4.1
81.07059	80.5
83.04973	5.3
83.08618	13.2
85.06554	3.3
91.05487	27.0
93.06483	1.9
93.07052	27.0
95.04966	15.5
95.08608	19.3
97.06527	3.6
97.10176	11.1
98.09697	3.1
103.05408	1.3
104.20216	1.1
105.07030	22.4
107.04961	15.2
107.08596	20.4
107.25240	1.3
109.06515	9.9
109.10159	8.0
111.08083	3.1
115.05470	2.6
117.07016	23.7
119.04939	2.6
119.08585	45.9
121.06508	35.9
121.10139	13.8
123.08109	9.1
123.11731	1.6
125.05949	1.3
125.09628	13.8
128.06252	3.0
129.07021	10.8
130.07835	2.0
131.04984	1.2
131.08580	17.1
133.06506	8.0
133.10144	8.5
135.08054	15.8
135.11662	3.7
137.09645	3.1
141.06978	2.2
142.07803	2.3
143.07072	1.9
143.08568	9.9
145.06468	1.9
145.10135	18.2
147.08054	23.3
147.11719	3.1
149.09631	12.3
151.11218	1.5
153.09134	3.2
155.08537	1.5
156.09241	1.3
157.06543	1.5
157.10130	9.3
159.08096	4.9
159.11688	6.2
161.09630	13.8
161.13272	2.6
163.11180	14.0
167.08653	1.3
169.10204	2.2
171.11685	6.4
173.09612	2.4
173.13275	1.7
175.11203	4.4
176.67027	1.2
177.09167	2.0
177.12773	3.3
185.09691	1.6
185.13280	4.1
187.11320	1.7
189.12854	3.0
193.12202	1.2
195.11635	2.4
199.11212	2.4
203.11162	1.6
203.12782	9.0
203.14429	2.0
205.12286	1.7
213.12714	2.2
227.18001	4.2
231.13788	3.0
237.14621	2.9
237.16661	3.2
245.15340	1.6
245.19044	4.7
255.17395	8.0
263.16440	5.9
273.18488	49.1
287.16934	1.3
287.20145	3.5
305.21155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Flavoglaucin
Peak:m/z	Relative Intensity
52.63612	2.2
53.03951	9.3
55.01881	12.5
55.05514	32.5
57.07080	4.4
59.04996	3.4
60.49422	2.4
64.09837	2.4
66.21700	2.6
67.05505	29.1
69.03426	8.2
69.07065	19.3
69.16224	16.0
69.16655	8.1
78.25246	2.2
79.05498	61.6
81.03425	6.4
81.07059	100.0
83.04992	4.1
83.08629	18.6
85.06541	7.4
89.22386	2.0
91.05488	43.2
93.07050	33.1
95.04972	28.9
95.08617	28.9
97.06529	4.9
97.10187	15.7
98.09692	10.8
98.21642	4.3
99.10048	4.1
103.05539	3.4
105.07040	26.2
107.04950	24.4
107.08599	20.8
109.06517	5.0
109.10201	7.2
111.04496	3.1
111.08102	5.8
112.96268	2.4
115.05418	2.7
117.07033	34.4
119.04961	5.7
119.08588	65.8
121.06498	32.9
121.10167	13.9
123.08028	12.2
125.06069	2.5
125.09628	26.4
128.06287	2.7
129.06973	13.5
131.08580	23.0
133.06512	8.2
133.10091	11.6
135.08067	17.6
135.11748	3.3
137.09685	3.9
142.07762	3.7
143.07043	3.5
143.08594	11.1
145.10127	26.2
147.04439	5.2
147.08025	24.8
147.11681	5.0
148.04779	2.7
149.09648	10.4
153.09036	3.4
155.08707	2.5
157.06548	2.5
157.10159	9.1
159.08049	3.4
159.11726	7.9
161.09637	22.0
163.11201	17.3
165.09171	2.9
167.23531	2.6
169.10194	4.0
171.08116	2.9
171.10318	3.1
171.11716	10.5
173.09659	3.9
175.11165	2.6
177.09103	4.0
185.13309	6.2
189.09052	3.0
189.12746	2.7
191.10924	2.6
203.10849	3.9
203.12801	13.7
213.12793	4.6
213.16341	2.6
227.17920	4.8
231.13901	2.5
235.13292	5.9
237.14725	3.7
245.18936	5.2
255.17491	8.1
263.16272	5.0
273.18478	50.1
287.20062	3.6
305.21188	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01881	3.2
55.05513	8.9
55.31185	0.6
57.03426	1.6
57.07070	0.8
59.04996	1.6
65.03939	1.8
67.05505	20.4
68.21464	0.5
69.03420	1.9
69.07066	6.1
69.33760	4.1
69.34163	1.5
71.04992	1.8
71.18123	0.6
79.05497	34.0
81.03429	4.2
81.07057	100.0
83.04971	4.3
83.08625	2.2
85.06535	2.4
91.05480	17.5
91.73975	0.6
93.07045	15.7
95.01334	0.9
95.04971	20.4
95.08608	9.8
97.06532	2.1
97.10154	2.1
98.09729	1.5
98.21532	1.1
99.08077	0.7
101.37227	0.7
103.05447	1.2
105.04550	0.7
105.07028	13.3
107.04963	9.6
107.05643	1.1
107.08591	8.3
109.06521	95.2
109.10158	2.5
111.04490	0.6
111.08086	2.2
115.05494	1.6
117.07022	8.9
119.04949	1.0
119.08586	10.4
121.06506	4.5
121.10137	5.1
123.04497	0.9
123.08076	3.8
123.11697	0.7
125.09647	2.6
129.07016	4.3
130.07834	0.7
131.08577	7.9
133.06512	2.3
133.10159	5.1
135.08057	7.3
135.11707	4.1
137.05989	2.1
137.09605	2.0
143.07069	0.8
143.08575	3.7
145.10129	9.7
147.04314	0.8
147.08044	4.9
147.11703	2.1
148.04814	0.7
149.09616	8.4
149.13251	1.2
151.07487	0.6
151.11223	1.3
155.08694	0.7
157.10100	3.3
159.08110	1.3
159.11717	3.2
161.09622	12.4
161.13286	0.9
163.11186	5.6
169.10225	1.3
171.10429	0.7
171.11652	3.3
173.09624	0.8
173.13287	0.9
175.11230	2.2
177.12784	1.6
181.10129	0.9
185.13222	1.3
187.11240	0.8
189.12843	1.3
191.10695	2.2
195.11760	0.8
197.54007	0.6
199.11180	1.3
209.13387	0.8
211.14828	0.7
213.16493	1.0
221.15387	5.5
227.18062	1.0
237.16492	1.4
245.19063	1.8
255.17546	2.4
273.18494	16.6
273.21234	1.1
305.21201	22.7
305.24683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
53.03935	3.5
55.01873	8.2
55.05515	24.8
57.03438	1.5
57.07076	1.8
59.05000	2.6
65.03925	1.5
67.05506	25.5
69.03429	7.1
69.07072	11.7
70.03465	3.8
71.04984	2.2
73.06528	1.1
79.05499	41.6
81.03420	3.5
81.07063	67.1
83.05016	4.5
83.08625	10.6
85.06546	3.5
88.07626	1.0
91.05490	30.2
93.06482	1.5
93.07053	23.9
95.04974	16.0
95.08611	18.5
96.84186	0.8
97.06538	4.5
97.10168	11.0
98.09703	1.3
103.05462	2.4
105.03392	2.3
105.04528	0.9
105.07040	25.1
107.04971	15.4
107.08600	17.5
109.06519	9.6
109.10161	9.5
111.04446	1.0
111.08092	4.2
115.05458	2.7
116.06235	1.9
117.07022	21.0
119.04936	3.5
119.08590	44.8
121.06515	21.7
121.10143	13.6
123.04427	1.1
123.08072	7.9
123.11691	2.0
125.05962	2.4
125.09643	14.4
128.06235	2.0
129.07028	9.6
129.17381	0.9
130.07796	2.3
131.04982	0.9
131.08572	22.5
133.06509	8.9
133.10136	9.9
134.07251	1.2
135.04482	1.0
135.08063	12.1
135.11705	3.8
137.06013	4.5
137.09624	3.4
139.41714	0.8
140.14308	1.2
141.07010	1.3
142.07813	1.7
143.07236	0.7
143.07423	0.9
143.08554	8.0
145.06497	2.1
145.10133	21.1
145.11276	1.1
147.08058	22.1
147.11694	3.9
149.09657	9.8
151.07584	2.2
151.11194	1.8
153.09120	3.6
155.08571	1.7
157.06569	1.0
157.10143	8.6
157.12212	1.3
159.08107	5.1
159.11688	7.5
161.09641	12.3
163.11214	8.9
165.18442	0.8
167.08481	0.9
169.10130	3.3
171.11671	5.6
173.09637	3.2
173.13232	1.5
175.11221	6.2
175.14841	1.0
175.38618	0.9
177.09134	2.4
177.12778	1.7
179.10751	1.1
183.11653	0.9
185.09599	2.0
185.13258	3.8
187.11220	3.4
187.14880	1.0
189.12706	2.6
195.11787	2.2
199.11244	2.9
201.12816	1.6
203.10846	1.7
203.12781	8.7
203.14389	1.4
205.12209	2.0
209.13243	1.1
211.14944	1.1
213.12759	3.1
213.16441	1.4
227.14247	0.9
227.17972	3.6
231.13943	1.6
237.14871	3.3
237.16777	1.6
245.15298	2.6
245.19144	4.3
248.65846	0.8
255.17453	6.9
257.26715	1.2
263.16431	5.9
273.18515	43.2
287.16492	4.6
287.20068	3.6
305.21143	100.0
305.28299	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
54.00732	2.1
55.05517	11.3
57.07064	3.3
59.04976	3.5
60.13635	1.9
67.05506	14.6
69.03429	2.4
69.07065	8.5
69.85366	5.7
69.85772	4.5
71.04993	7.4
73.06562	8.6
75.04479	4.7
79.05487	15.1
81.07066	24.3
82.58793	2.1
83.04981	11.5
83.08623	6.8
85.06543	2.7
91.05484	23.1
93.07056	18.7
95.04958	6.6
95.08612	11.8
97.06557	3.0
99.08115	3.9
101.06038	2.5
105.06397	3.3
105.07039	40.0
107.08604	21.2
109.06519	63.9
109.10173	12.2
111.08076	5.4
115.05468	4.0
117.07007	7.6
117.41088	1.9
119.08588	37.6
121.06505	4.9
121.10137	18.0
122.93581	1.9
123.08067	11.9
125.09623	5.2
126.91425	1.7
128.06250	3.3
129.07014	10.4
130.07788	5.2
131.08569	30.1
132.00221	3.6
133.06523	10.0
133.07462	2.1
133.10135	19.6
135.08057	16.5
137.05942	1.8
137.09653	14.4
138.10384	3.6
141.06990	8.4
142.07782	8.6
143.08563	27.8
145.10133	34.1
146.07301	2.0
147.04375	2.2
147.08040	9.1
147.11693	10.9
149.09631	18.1
151.07616	2.3
151.11124	3.2
153.06960	2.5
154.07742	2.1
155.08524	12.5
156.09334	20.3
157.10139	36.5
158.10901	10.5
159.08076	5.6
159.11703	6.3
161.09608	14.8
161.13263	3.6
163.07486	2.1
163.11186	11.0
165.07016	4.7
165.09166	5.5
167.08598	4.0
167.10707	5.7
169.10164	14.1
170.10954	6.9
171.08075	1.9
171.11682	29.0
172.08748	2.3
172.12491	3.6
173.09621	15.3
173.13280	18.6
174.10484	2.4
175.11139	10.8
177.12720	3.4
180.01451	2.0
180.09343	2.7
181.10135	7.7
182.10945	8.0
183.11687	6.1
184.08836	3.3
185.13266	8.3
187.11186	12.6
187.14731	2.3
188.11931	5.7
189.12743	19.4
191.10661	2.0
191.14261	2.5
193.10194	2.2
195.11743	9.0
196.12514	5.9
197.09618	1.8
197.13271	25.4
198.10439	2.2
198.14172	1.9
199.11212	27.5
203.10641	4.3
203.14305	21.5
204.15115	10.3
205.12256	16.2
207.11711	5.1
207.13838	12.7
211.14828	11.8
212.15616	6.0
213.12776	6.9
213.16350	22.3
215.14403	4.8
217.12231	7.7
217.15846	3.3
219.13670	2.5
221.15387	10.0
222.14067	5.5
222.16182	17.8
229.15892	6.9
231.13858	17.9
231.17421	4.2
237.16449	8.2
249.14894	3.1
255.17451	39.4
273.18530	13.9
287.20050	47.9
305.17801	5.0
305.21149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01871	5.1
55.05517	11.8
67.05508	10.4
69.03438	2.1
69.07071	29.3
69.71841	4.1
69.72252	7.8
70.06575	5.3
71.04993	4.6
73.06555	3.1
79.05495	18.4
81.03404	4.8
81.07056	18.2
83.04993	8.1
85.02893	2.7
86.09705	2.9
87.04467	9.2
91.05499	13.1
93.07041	21.3
95.05001	3.4
95.08608	6.4
97.06533	24.8
98.97552	2.2
99.04500	3.1
101.06023	12.1
105.07024	4.9
107.04953	7.9
107.08591	3.3
109.02878	1.9
109.06519	7.3
109.10167	3.5
111.04433	12.4
113.05989	5.0
115.03916	5.3
115.07557	3.9
117.07009	5.5
119.04960	3.1
119.08577	6.9
121.06513	14.1
123.04420	7.5
123.08089	4.3
125.05989	31.6
125.09654	2.1
127.03916	3.1
127.07574	4.5
129.05481	10.2
129.06952	2.9
130.06528	12.4
131.08565	10.1
133.06451	2.4
133.10083	2.4
135.08041	2.9
137.05962	6.1
137.09592	4.0
139.03903	4.0
139.07578	10.4
141.06964	6.9
143.07036	21.4
143.08565	4.7
145.06360	2.3
145.10106	13.3
146.06027	3.5
147.06494	3.2
147.08061	2.9
149.02364	4.3
149.05988	24.3
151.07506	2.6
153.01819	7.8
155.07085	2.1
158.06029	22.6
159.08104	3.2
159.11717	8.6
161.08104	5.6
161.09563	2.4
163.07489	1.9
163.11137	2.0
165.08989	1.6
167.07054	9.0
169.10130	19.4
169.13168	1.9
171.11693	2.7
173.07095	12.6
173.09599	4.6
174.05489	4.3
177.12845	4.0
187.11169	25.8
188.80200	1.9
189.09044	3.9
189.12708	2.3
191.10655	14.1
197.09595	3.3
202.04910	1.7
205.12251	43.3
207.10124	6.3
209.11694	22.5
215.10617	14.0
223.13295	9.8
231.06544	6.0
233.11723	78.9
251.12794	100.0
259.06815	3.7
259.10806	1.9
269.13834	68.1
287.05704	2.5
287.14474	3.3
305.15201	3.9
306.15948	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	305.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05500	3.2
56.96572	1.1
57.03421	0.8
57.07061	0.8
67.05490	2.6
68.99796	0.8
69.03424	1.3
69.07059	3.4
70.06595	1.2
70.77989	1.9
71.05004	1.1
79.05501	4.3
81.03423	1.0
81.07056	6.1
83.04981	2.8
83.08640	1.3
84.08157	1.0
85.02906	1.0
85.06574	1.0
86.09702	1.2
86.49143	0.7
87.00829	0.9
91.05470	3.2
93.06557	0.9
93.07056	8.3
93.49792	0.7
95.04958	2.7
95.08610	3.9
97.06545	1.5
98.97610	2.2
99.04438	1.1
105.07056	5.3
107.04934	0.8
107.08610	7.3
108.51673	0.7
109.02885	0.7
109.06510	2.8
109.10130	4.1
113.09678	0.7
115.05469	4.1
117.05742	0.9
117.07043	1.6
118.06545	1.2
119.08603	3.6
121.06522	2.6
121.10143	3.8
123.08054	1.7
123.11728	1.4
125.05990	1.4
128.06264	0.8
128.98535	0.8
129.06976	1.8
130.06540	35.6
131.08533	2.7
132.08105	31.7
133.08644	0.7
133.10144	3.3
135.08072	4.2
135.11703	2.4
136.07545	1.4
137.06032	0.7
137.09631	1.1
139.11218	1.0
141.04036	1.5
142.06548	10.9
143.07253	2.4
143.08516	1.3
144.04507	0.8
145.05235	1.1
145.06476	1.4
145.10135	3.0
147.08058	2.3
147.11710	2.2
148.07556	1.6
149.13223	1.8
151.07581	1.6
151.71208	0.8
156.08080	4.9
157.07605	4.2
157.10158	1.4
158.05948	1.6
158.08409	2.8
159.09193	83.0
160.06252	1.8
160.07587	29.8
161.09674	1.6
162.12808	1.2
163.11208	4.4
165.12721	1.0
167.06012	1.7
169.07603	3.0
170.06023	30.3
171.09209	1.1
172.07463	0.9
176.07095	1.8
180.13847	0.8
181.07626	2.6
182.06079	1.6
183.09210	3.2
183.11681	0.9
184.07574	17.4
185.07121	44.3
187.08699	5.6
187.11150	1.1
189.06659	1.6
189.09106	1.8
190.12302	6.0
192.13838	1.8
199.08748	1.6
200.07037	7.8
201.10284	12.1
202.08635	32.5
203.10793	0.8
209.07054	2.2
211.08740	0.9
217.13733	0.7
217.15967	0.7
218.11778	2.1
219.11302	0.9
227.08176	39.6
229.12361	0.8
231.10136	1.1
232.07181	1.1
243.11304	2.8
245.09242	100.0
246.09555	0.9
247.13425	1.2
255.07719	4.4
269.09140	2.8
273.08734	17.4
276.09293	0.7
287.10156	3.0
287.16476	1.7
288.13403	10.7
305.05643	2.2
305.10846	2.2
305.15991	19.9
305.24475	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	304.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	2.7
57.72221	2.9
67.05495	4.4
69.07062	6.2
70.06593	4.9
71.53410	3.4
75.20353	2.8
79.05499	6.9
81.07050	9.5
83.08619	15.0
85.10190	3.6
86.09718	3.9
91.05482	9.9
93.07053	11.2
95.04971	14.9
95.08630	5.9
96.05311	5.1
98.09708	28.0
101.02381	3.3
103.51947	3.4
105.07014	6.7
107.08602	21.5
108.08990	3.4
109.06535	7.2
109.10162	5.7
111.08084	37.7
113.06053	4.5
119.04968	4.6
119.08636	3.1
119.44711	2.8
120.08961	3.6
121.10166	5.2
122.10510	3.4
123.08117	4.7
124.08396	3.5
125.09634	4.7
125.44754	3.0
131.08624	5.6
135.08086	9.6
136.08479	4.8
137.05984	11.3
140.14322	9.1
145.10233	3.6
147.04414	18.2
151.07504	4.5
153.09088	25.4
155.07022	4.2
158.15396	7.5
159.11693	4.5
167.10692	7.2
169.08623	53.3
175.07593	2.9
185.09315	3.9
185.11751	10.6
192.22641	3.0
195.10191	84.5
195.11913	5.8
227.12801	100.0
227.14960	6.0
274.33838	3.2
286.18738	7.5
304.05524	20.6
304.15912	5.2
304.19171	27.9
304.24750	9.2
305.17529	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	305.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72363	0.7
55.05490	1.5
56.60942	0.7
56.96544	0.7
57.03436	1.8
67.05476	1.1
68.99800	1.7
69.03414	1.1
69.07043	1.4
70.06574	0.9
71.21674	1.0
71.22023	0.9
79.05506	1.1
81.07067	5.3
83.08599	1.4
84.08123	1.0
88.03979	1.2
91.05483	1.5
93.07034	1.9
95.04956	1.6
95.08609	1.8
97.06517	2.0
101.02395	3.9
105.07041	1.8
107.04897	0.8
107.08596	2.1
109.06479	1.2
109.10174	1.3
115.05422	4.1
117.07043	0.9
118.05021	1.3
118.06545	11.5
119.03423	1.2
119.08578	1.0
121.10117	1.6
129.06989	1.0
130.06529	70.9
131.08545	1.1
132.08090	33.3
133.10158	1.1
135.08073	1.2
137.05963	1.6
137.65442	0.8
142.06528	11.1
143.07234	2.1
144.08076	5.4
146.06010	22.0
154.06540	1.3
156.08066	3.2
157.07614	7.4
158.06026	2.3
158.08417	6.3
159.09181	57.1
160.07561	7.0
167.06039	1.7
169.07605	2.3
170.06004	27.1
172.03949	1.1
172.07635	1.1
173.13274	0.9
181.07570	7.6
182.05986	2.1
183.09210	1.3
184.07590	10.2
185.07111	51.5
187.08641	4.2
188.07065	30.4
199.08733	1.7
200.07053	13.5
201.12845	1.0
205.09828	1.6
209.07162	4.0
210.05467	1.1
227.08147	62.1
231.07671	1.2
241.09746	7.0
242.08185	1.0
255.07753	2.3
259.10785	100.0
268.10815	0.8
273.08612	1.7
287.10306	8.1
287.13480	1.6
287.16534	1.3
305.05554	6.9
305.11191	3.4
305.14673	3.3
305.17612	2.2
305.24884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01860	1.8
55.05500	1.7
55.20526	0.9
56.05035	2.2
56.96569	2.6
57.03434	3.6
58.02948	1.0
58.06606	1.9
59.19482	0.9
60.04532	7.4
61.02921	3.5
67.05509	1.3
69.03435	12.1
69.07071	38.5
69.68108	2.3
69.68515	3.1
70.06594	4.9
71.05012	2.2
71.08640	20.3
72.08161	1.6
73.02911	2.7
73.07543	0.9
77.21381	0.9
81.03413	7.0
83.08617	1.5
84.04515	6.0
84.08139	2.9
85.02911	55.2
86.02426	5.5
86.06073	2.2
86.09696	3.0
91.05479	1.4
91.41493	1.0
94.06593	1.4
96.08125	3.2
97.02900	38.4
97.06545	4.8
98.09696	4.0
98.97597	6.5
99.04482	2.6
102.05557	1.7
103.03953	4.7
109.02882	10.6
110.02381	1.2
114.05558	4.6
114.09176	17.0
116.97239	1.1
116.98603	2.0
120.08140	1.9
123.04446	1.1
124.07577	1.6
127.03928	11.8
128.98656	1.1
129.10255	1.1
130.06528	3.1
131.00174	1.6
132.98109	1.7
136.07715	1.0
138.09155	3.7
142.08644	100.0
145.04955	6.5
147.04430	3.0
150.99139	1.9
156.10112	2.1
158.06017	1.4
158.15378	1.7
166.08646	1.5
173.01297	2.2
179.54770	1.0
184.09706	69.1
185.09206	6.3
189.00751	1.2
193.00253	1.3
194.07396	1.1
196.07501	1.1
207.01926	1.4
208.09697	13.7
211.07600	1.3
220.09702	1.3
223.07520	7.1
238.10765	2.3
242.09320	2.0
242.19687	1.0
250.10693	8.0
251.49306	1.0
258.11337	1.8
263.00781	2.0
268.09583	2.4
281.01791	3.3
286.13681	4.1
297.80093	0.9
299.02719	1.3
304.05237	8.3
304.11417	1.7
304.14310	2.5
304.19046	2.8
305.15796	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	303.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01884	1.1
55.05508	1.0
57.03432	0.2
57.07055	0.3
62.64131	0.2
63.91661	0.2
65.03940	0.6
67.01866	0.3
67.05503	1.9
68.99799	2.3
69.03420	0.9
69.07072	1.7
70.06556	0.3
71.04993	0.6
71.30954	0.2
71.52195	0.4
73.06544	0.4
79.05493	2.7
81.03422	1.5
81.07063	4.9
83.04978	1.3
83.08606	0.9
84.08138	0.2
85.02898	0.3
85.06535	0.9
91.05487	2.3
93.03387	0.5
93.06487	0.5
93.07047	8.4
95.04977	2.5
95.08612	3.2
97.06543	3.3
98.97572	0.4
99.04464	1.2
99.08110	0.4
99.19006	0.2
105.03369	0.4
105.07042	3.8
105.61124	0.2
107.04945	0.4
107.08601	3.7
109.02882	1.7
109.06525	2.2
109.10157	1.3
111.00806	2.1
111.04449	0.6
111.08075	1.6
113.05993	0.8
115.07546	0.3
117.06989	0.5
119.04945	0.3
119.08572	3.2
121.02881	1.9
121.06509	4.5
121.10176	1.1
122.03650	0.5
123.04429	0.9
123.08065	1.1
123.11721	0.9
125.06004	1.2
125.09622	0.5
127.03943	0.5
127.07545	0.7
129.07011	0.6
131.04941	0.4
131.08545	0.9
133.06483	0.5
133.10130	2.9
135.04430	0.6
135.08057	1.5
135.11746	0.5
137.02351	7.4
137.03413	0.7
137.05983	5.6
137.09578	0.4
138.32265	0.3
139.07562	3.8
141.05447	0.8
141.09146	0.3
141.69539	0.2
142.07745	0.3
143.07040	0.9
143.08566	0.6
145.06458	0.5
145.10156	1.2
146.16885	0.3
147.04385	0.3
147.08020	0.5
147.11694	6.5
149.02341	0.6
149.05980	0.3
149.09604	0.6
149.13269	0.6
151.03914	0.4
151.07547	0.3
151.11203	0.5
153.01845	8.3
153.07156	0.2
153.09145	0.4
155.04916	0.9
155.07082	0.3
157.08612	2.4
157.10120	2.1
159.06474	0.3
159.11641	0.3
161.05975	0.7
161.09673	0.3
161.13226	1.2
163.03880	1.2
165.01833	3.6
165.09114	0.4
165.12775	3.1
166.02591	0.5
169.12271	0.4
171.02875	0.3
171.10165	0.8
171.11705	1.4
173.05998	1.6
173.13254	0.3
175.07787	0.3
175.11185	5.9
177.01884	0.3
179.03386	0.3
179.07008	0.3
183.02887	1.7
183.04411	1.0
185.05952	0.3
187.03966	0.8
189.12752	3.2
191.03394	0.6
191.14282	0.5
193.12253	4.1
195.02968	0.4
198.07780	0.4
199.11243	1.4
201.05476	3.9
207.13829	1.8
209.15364	0.4
211.11485	0.3
211.13365	1.0
215.03519	0.3
217.12260	7.5
219.06490	0.4
221.15401	0.5
225.14795	2.0
228.04173	0.5
229.04974	8.7
231.13765	0.3
235.13316	6.0
243.11253	0.5
247.06078	1.2
249.14767	1.4
253.14369	2.8
257.04437	4.9
258.04990	0.3
259.10818	0.6
260.29529	0.3
261.14853	0.2
261.37363	0.2
267.15967	2.5
274.04764	1.3
275.05542	0.4
285.03952	1.7
285.12314	0.8
285.16940	0.8
303.05005	100.0
304.05374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41950	4.3
63.74013	4.4
70.06590	8.8
71.04988	19.4
72.08144	9.6
74.26069	3.8
78.95649	7.8
80.95438	5.1
81.04542	11.5
84.08154	12.5
85.06552	6.7
86.09740	4.5
94.93015	14.2
95.09375	4.2
96.92828	16.9
98.06065	12.9
99.04469	8.9
110.07174	7.6
112.07666	5.7
116.07094	9.2
129.10294	6.9
137.05977	6.2
140.08119	8.3
141.05240	15.7
141.06618	8.7
141.08467	5.6
144.10199	11.4
148.98436	4.4
174.89636	16.6
174.92038	5.4
182.89214	6.1
185.09224	7.0
188.89745	6.2
190.89522	27.3
198.87738	9.0
200.98268	12.2
212.85287	28.7
244.15482	13.1
303.00809	7.8
303.07971	37.0
303.11139	100.0
303.15930	29.0
303.18738	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	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28791	0.3
55.01861	0.4
55.05500	0.4
65.03939	3.2
67.05495	0.9
68.99802	1.3
69.07076	1.3
69.79220	0.6
69.79588	1.1
71.04991	0.3
79.05504	0.7
81.07077	1.5
83.04987	0.3
83.08662	0.4
83.31950	0.3
91.05486	1.0
92.05014	3.3
93.03395	0.4
93.07022	1.5
94.06571	0.4
95.04971	0.8
95.08608	0.8
97.06526	0.9
105.07041	1.1
107.08614	0.8
108.08091	0.3
109.02888	0.9
109.06563	0.3
109.10178	0.6
110.03753	0.3
111.00803	1.2
117.07037	0.5
119.08591	0.7
120.04469	1.2
121.02915	1.4
121.06533	0.7
121.10153	0.4
122.09641	0.3
123.04413	0.5
123.06828	0.3
124.07633	0.3
127.03889	0.3
128.06184	0.3
129.07001	0.4
131.08578	0.4
132.08055	0.4
133.06424	0.3
133.10194	0.5
134.05997	0.3
135.04398	0.4
135.08110	0.4
137.02356	5.3
137.03421	0.6
137.06001	0.8
138.05510	23.3
138.09134	9.2
143.08556	0.4
145.06395	0.3
147.11687	1.0
148.03929	2.1
148.04944	0.3
149.02383	0.6
150.09137	1.3
153.01826	6.6
155.04912	0.8
156.08084	0.4
157.10139	0.8
158.06001	0.3
159.11618	0.3
163.03934	0.8
163.05054	0.7
165.01871	2.5
165.12827	0.4
166.05009	35.6
169.08862	0.6
171.10353	0.5
171.11707	0.4
173.05984	1.0
175.11237	0.6
177.05525	0.4
182.09692	0.3
183.02908	0.9
183.04378	0.4
184.11224	1.3
186.12930	0.4
187.03935	0.6
194.09689	0.4
196.09962	1.0
198.09117	0.7
199.10043	0.3
200.09457	0.8
201.05470	2.7
201.10306	0.9
211.08800	0.5
211.12350	1.9
212.10757	4.0
213.13892	0.4
214.12396	3.9
215.03465	0.3
216.10004	0.4
217.12160	0.5
219.06528	0.3
224.09337	0.4
226.08498	0.3
228.04218	0.3
228.08943	1.0
229.04994	5.6
229.07349	0.3
229.09801	1.0
229.13254	2.2
230.11789	2.4
232.13344	2.8
235.13400	0.4
239.11821	1.5
240.10255	2.1
241.13464	0.9
242.11868	3.2
243.07703	0.3
243.11304	1.2
244.09767	0.6
247.05989	0.7
256.08493	3.2
257.04495	3.9
257.08920	1.7
257.12860	11.4
258.11325	0.6
259.12051	1.2
259.14508	0.7
260.12842	2.8
267.11252	2.8
268.09717	1.1
272.11563	12.3
274.04782	1.0
274.09488	7.5
275.05545	0.4
275.10300	1.1
275.13947	4.3
285.04007	1.3
285.12354	17.7
286.10645	1.3
302.63968	0.5
303.05029	70.3
303.13379	100.0
304.05344	0.9
304.13733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.19270	0.2
55.01865	0.3
55.05505	0.4
56.96555	0.5
57.03440	0.2
59.15994	0.2
60.08161	0.2
60.20653	0.2
65.03935	1.0
67.05504	1.2
68.99799	1.6
69.03448	0.5
69.07066	0.9
70.51345	0.2
71.04980	0.3
71.53127	0.3
79.05492	0.7
81.03432	0.7
81.07060	1.4
83.08607	0.3
85.02892	0.3
85.06530	0.4
86.09713	1.2
91.05492	1.0
92.05024	0.5
93.03390	0.7
93.07044	1.5
94.06548	0.2
95.04964	1.2
95.08605	1.2
97.06549	0.5
97.20987	0.2
103.05440	0.3
104.10724	0.5
105.07053	1.3
107.04985	0.3
107.08582	1.0
109.02896	1.0
109.06538	0.4
109.10152	0.6
111.00822	1.3
111.08112	0.3
115.05484	0.3
117.07016	0.7
119.04964	0.2
119.08565	0.8
121.02860	1.8
121.06490	0.5
121.10133	0.7
123.04449	0.7
123.08063	0.5
124.99997	0.3
127.03995	0.4
129.07062	0.3
130.15553	0.2
131.04922	0.3
131.08551	0.6
133.06421	0.3
133.10124	1.0
135.04462	0.4
135.08064	0.3
135.11676	0.4
136.19028	0.2
137.02347	6.5
137.03369	0.3
137.05994	1.4
137.09702	0.2
138.05522	2.6
138.09135	1.9
143.08582	0.3
145.06477	0.7
145.10162	0.7
147.04489	0.3
147.08017	0.3
147.11693	0.7
148.03961	0.4
149.02362	0.7
151.03935	0.4
151.07550	0.3
151.11185	0.3
153.01840	9.3
155.04926	0.7
157.10065	0.5
159.11644	0.3
161.06010	0.7
161.13210	0.3
163.03879	1.4
163.11234	0.2
164.07115	0.3
165.01842	3.6
165.12819	0.3
166.02713	0.6
166.05009	4.8
166.08611	0.3
169.10207	0.3
171.11691	0.2
173.05989	1.2
173.09660	0.3
175.11191	0.7
177.05544	0.4
179.03287	0.4
183.02896	1.8
183.04469	0.8
184.07385	0.6
187.03879	0.7
189.12785	0.4
189.88562	0.2
193.10181	0.3
195.02879	0.4
201.05450	3.4
201.12642	0.3
205.05086	0.4
207.02881	0.3
211.03893	0.5
212.10773	0.7
213.05498	0.4
214.12308	0.4
217.12230	0.4
219.02875	0.3
221.61426	0.3
228.04189	0.8
229.04959	7.9
230.11815	0.4
232.13327	0.4
239.03503	0.5
239.14163	0.2
240.10150	0.4
242.11784	0.3
245.04550	0.3
247.06021	1.3
252.58533	0.3
255.08859	0.3
256.08575	0.5
257.04453	5.1
257.08917	0.2
257.10455	0.2
257.12912	1.8
257.15195	0.3
260.12930	0.5
264.08984	0.5
267.11252	0.5
271.11002	0.3
272.11609	1.9
274.04745	1.4
274.09546	1.1
275.05649	0.4
275.13962	0.8
285.04016	2.2
285.12381	1.9
285.18475	0.4
286.10736	0.3
293.63196	0.5
302.63354	0.4
303.05002	100.0
303.13278	15.3
303.19534	1.7
303.23187	1.1
304.05292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
55.01873	0.3
60.41672	0.1
65.03940	0.5
67.01861	0.3
67.05495	0.2
68.99789	1.9
69.03419	0.2
70.96132	0.1
71.01361	0.1
79.05515	0.1
81.03422	0.6
81.07060	0.1
81.38051	0.1
91.05485	0.1
93.03406	0.7
93.07019	0.1
95.01384	0.1
95.04977	0.7
95.08593	0.1
95.47465	0.1
97.02892	0.1
98.97594	0.1
103.05476	0.1
103.53162	0.1
105.03383	0.2
105.07025	0.1
107.01312	0.1
107.04947	0.3
109.02881	0.9
111.00804	1.9
111.04441	0.1
114.86788	0.1
115.05487	0.2
117.07046	0.3
119.04967	0.1
121.02869	1.9
121.06529	0.1
123.04436	0.7
127.03957	0.3
127.05404	0.1
128.06229	0.1
128.40604	0.1
129.06989	0.2
131.04895	0.3
132.13789	0.1
133.02811	0.1
133.06436	0.2
135.04408	0.5
137.02345	6.7
137.03409	0.5
137.05971	0.2
145.02811	0.2
145.06506	0.6
147.04370	0.1
147.11697	0.1
149.02350	0.8
149.05998	0.1
151.03873	0.1
153.01830	9.3
155.04901	0.9
155.06053	0.1
157.06512	0.3
159.04417	0.3
160.05247	0.1
161.06001	0.6
163.03908	1.1
165.01843	3.5
166.02643	0.5
167.03439	0.1
173.02359	0.1
173.06001	1.5
177.01840	0.2
177.05412	0.2
179.03407	0.4
183.02888	1.4
183.04440	0.8
185.05980	0.1
187.03912	1.0
188.08601	0.1
191.03410	0.4
191.07011	0.1
193.04797	0.1
195.02902	0.4
200.04678	0.1
201.05478	3.9
204.04094	0.1
205.04945	0.4
207.02899	0.2
211.03946	0.3
213.05505	0.2
215.03326	0.2
217.04991	0.1
219.02859	0.2
219.06511	0.5
228.04189	0.6
229.04961	9.2
232.03735	0.1
233.04532	0.1
239.03572	0.4
243.02997	0.1
245.04425	0.2
246.05275	0.2
247.06007	1.2
256.03653	0.1
257.04449	4.9
274.04761	1.4
275.05402	0.3
282.23102	0.1
285.00790	0.2
285.03937	2.4
286.04852	0.1
302.04297	0.1
303.04987	100.0
304.05347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.58430	0.1
55.01861	0.2
55.60006	0.1
65.03943	0.5
67.01849	0.3
67.05492	0.1
68.99444	0.1
68.99791	1.7
69.03411	0.1
69.43202	0.6
69.43518	0.1
81.03423	0.4
91.05490	0.1
93.03421	0.6
95.04962	0.6
98.20772	0.2
103.05456	0.2
103.15598	0.1
105.03378	0.3
107.04958	0.1
109.02881	1.0
110.03628	0.2
111.00800	1.5
111.04440	0.1
115.05424	0.2
117.06985	0.2
119.04945	0.1
121.02869	1.9
122.03642	0.1
123.04434	0.6
127.03886	0.4
128.06212	0.1
131.04910	0.3
135.04413	0.5
137.02344	7.0
139.05388	0.1
143.04936	0.1
145.02844	0.1
145.06483	0.5
147.04424	0.1
149.02353	0.9
153.01831	8.1
155.04921	0.7
155.06056	0.2
157.06451	0.2
159.04381	0.2
161.05981	0.7
163.03923	1.1
163.07489	0.1
165.01837	3.4
166.02625	0.4
173.02322	0.1
173.05995	1.2
177.01880	0.2
177.05505	0.2
179.03406	0.3
183.02893	1.2
183.04437	0.8
185.06042	0.1
187.03899	0.8
191.03410	0.4
191.06995	0.2
194.02023	0.1
195.02951	0.4
200.04784	0.1
201.05475	3.8
205.04953	0.5
207.02878	0.2
211.03937	0.3
213.05522	0.1
215.03362	0.1
217.04965	0.1
219.02946	0.2
219.06549	0.6
228.04179	0.6
229.04964	8.6
232.03883	0.1
233.04543	0.1
239.03488	0.4
245.04527	0.2
246.05243	0.2
247.06003	1.2
257.04428	4.7
274.04770	1.3
275.05429	0.3
285.03958	2.2
286.04617	0.2
302.04297	0.1
303.04980	100.0
304.05228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2077
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
50.58312	0.6
58.06593	0.6
59.07367	0.7
60.04519	0.7
67.05505	2.6
69.03428	1.3
69.07062	5.5
70.06593	6.8
71.51763	0.7
72.08154	2.0
74.09711	1.0
74.58933	0.6
76.04079	0.6
76.07644	2.3
81.03400	0.7
81.07052	0.7
84.04495	1.8
84.08143	3.8
85.02909	2.9
86.09708	100.0
88.03992	1.0
91.05486	0.8
95.04990	3.1
95.69217	0.6
97.02898	1.6
98.58846	0.6
106.82858	0.7
112.07622	1.9
119.04906	0.8
119.05779	0.7
120.08109	0.9
127.49507	0.6
129.10268	1.6
130.05042	1.0
140.07048	4.8
169.07684	0.9
179.07016	0.6
182.08250	3.5
189.12346	7.4
199.18065	27.1
206.08128	1.0
227.17538	14.9
227.19789	0.7
241.09624	1.4
242.10515	0.8
256.11826	0.8
284.11505	0.7
302.20724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04296	0.2
54.69573	0.2
57.07047	0.2
64.75229	0.2
70.06580	0.3
71.50439	0.3
71.80010	0.2
82.99860	0.2
84.08126	1.0
98.97576	1.1
101.00887	2.6
116.98660	0.4
118.77011	0.2
119.01922	3.9
120.02000	0.3
129.10211	0.4
134.99773	0.2
137.02943	0.6
140.98825	0.4
158.99876	2.0
165.99641	0.3
175.11871	0.4
175.59064	0.2
177.00954	10.2
178.01028	0.4
179.00800	0.4
182.99960	0.5
193.04147	0.3
199.02963	0.3
201.00912	2.4
201.02414	0.3
217.04076	2.1
219.02010	17.6
220.02098	1.1
221.01863	1.1
225.00865	2.5
226.01141	0.2
243.01999	12.6
244.02197	0.7
256.96652	0.5
258.99960	0.3
261.03064	100.0
262.00067	0.3
262.03214	6.5
263.03189	0.6
266.03662	0.3
279.00760	0.7
279.98346	0.3
283.00049	0.7
284.04678	2.1
284.99841	2.8
285.04907	0.3
291.58011	0.2
297.97766	0.3
301.01074	1.0
303.00858	3.4
303.04443	2.6
303.21365	0.4
320.97543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
53.96696	1.1
55.01880	1.8
55.05513	1.8
57.03432	4.9
61.02921	5.8
62.70853	1.3
67.05502	8.0
69.03440	12.2
69.07064	2.1
69.66623	6.0
69.67036	2.4
70.30901	1.2
70.38449	1.4
71.01353	1.6
72.08141	5.4
73.02914	2.2
79.05499	5.6
81.03418	7.0
81.07059	5.6
83.08663	1.4
85.02914	83.7
86.09715	2.2
93.05859	1.7
93.29218	1.5
94.06564	1.8
95.04977	5.5
97.02901	43.6
97.06541	1.6
98.06045	2.0
99.04467	2.2
103.03937	7.8
108.08117	13.5
109.02899	13.5
110.06059	2.0
115.01154	1.4
122.06039	9.2
122.09573	1.7
125.05984	4.9
126.05482	6.4
126.09188	3.8
127.03933	18.4
130.06526	3.0
136.07588	19.1
140.07077	53.6
145.04976	14.7
150.09129	6.6
152.07088	19.3
154.08630	7.0
163.06035	3.7
164.07088	23.0
171.11349	1.7
178.08667	18.6
182.08145	100.0
192.10162	1.5
206.08151	44.0
206.72263	1.4
218.08110	2.3
228.74881	1.3
236.09203	3.2
242.88306	1.5
248.09224	11.1
303.04916	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01868	1.6
55.05506	1.9
57.03429	3.9
60.04537	1.5
61.02918	3.7
67.05508	7.1
69.03434	14.7
69.07076	2.8
70.06600	15.2
71.30495	2.0
72.08138	4.0
73.02925	2.8
79.05496	5.3
81.03427	9.0
81.07064	7.0
84.04500	1.6
84.08136	4.2
85.02911	87.4
86.09716	11.8
87.04465	1.2
89.83038	1.1
91.05491	1.7
93.05762	1.5
94.06556	2.9
95.04971	4.3
97.02900	41.8
97.06548	1.4
98.06038	1.5
99.04475	2.5
103.03952	5.1
105.07086	1.4
106.05021	1.4
108.08130	12.9
109.02875	12.5
109.06535	1.6
110.06018	1.5
115.03948	2.1
122.06030	8.3
125.06010	7.3
126.05528	6.1
126.06391	1.5
126.09158	4.4
127.03939	16.3
129.10272	1.7
136.07585	19.8
137.06032	2.0
137.98779	1.2
140.07077	51.5
143.11798	2.6
145.04968	17.6
150.09143	5.7
152.07072	19.8
154.08644	6.2
157.13385	2.0
163.06094	2.1
164.07083	23.5
178.08638	19.1
182.08136	100.0
185.12834	2.1
186.76270	1.1
202.08696	1.4
206.08139	45.7
218.08104	3.7
236.09183	5.4
241.09802	2.6
242.10492	2.3
248.09216	11.6
256.12112	1.2
257.36609	1.1
266.10269	1.6
284.11502	4.6
300.05948	1.1
302.12418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01886	1.1
55.48911	0.7
57.03431	2.3
61.02921	0.9
65.03941	1.6
65.40697	0.7
67.05509	27.5
69.03432	13.4
69.06732	1.1
69.07070	11.3
70.06603	5.4
70.09869	2.7
71.01331	0.9
71.04990	1.1
72.08142	1.5
72.66891	0.7
73.02909	1.8
81.03419	4.0
81.07074	0.7
82.82872	0.8
83.81512	0.7
84.04507	1.3
84.08138	3.7
84.08577	0.7
85.02910	33.8
86.09688	2.0
94.06598	1.0
95.04974	39.2
96.08126	0.9
97.02896	29.8
99.04447	1.4
103.03944	2.5
109.02892	6.8
112.07616	30.6
113.06007	3.5
115.08709	1.1
120.08117	2.6
122.06041	2.4
123.04409	1.6
124.07645	1.6
125.26263	0.8
127.03915	6.7
129.10237	1.6
136.07565	2.7
140.07071	100.0
145.05005	3.8
147.11284	1.5
154.08614	5.9
178.08661	1.9
182.08141	53.7
184.24184	0.9
206.08131	10.3
218.08167	2.5
230.48889	0.8
236.09236	2.4
244.16676	1.2
246.46411	0.7
248.09174	8.7
284.11438	1.1
302.12473	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59571	1.0
53.03938	2.8
55.01854	2.4
55.05512	8.3
56.52370	1.1
57.03426	4.6
61.02923	5.8
67.05499	7.7
67.30695	1.0
69.03429	12.4
69.07059	2.2
70.06605	6.3
70.50842	3.5
71.01343	1.0
71.04996	1.7
72.08157	70.1
73.02906	3.8
74.58760	0.9
79.05503	4.7
81.03425	6.3
81.07036	7.8
84.08138	2.5
85.02910	89.7
86.09708	16.7
91.03970	1.1
91.05438	1.9
93.05797	1.9
94.06567	2.2
95.04955	4.3
97.02895	43.7
97.06532	3.0
98.06075	1.0
99.04435	3.6
103.03972	5.5
108.08131	14.6
109.02892	13.7
109.06538	1.1
110.06039	1.7
112.07642	1.4
115.03973	1.3
120.08094	1.3
122.06031	7.6
125.06009	6.8
126.05509	7.8
126.09118	5.8
127.03915	17.9
130.06500	4.2
132.10217	10.6
136.07585	20.6
140.05974	2.4
140.07068	47.5
143.10744	1.9
143.11801	23.0
145.03906	1.7
145.04962	16.8
150.09126	4.1
152.07083	21.7
153.02161	1.0
154.08641	6.8
157.13373	2.8
163.06010	2.9
164.07068	24.6
171.11302	27.3
178.08649	18.1
182.08136	100.0
185.12857	1.7
186.02252	1.5
202.14516	1.0
203.13943	8.8
206.08128	46.6
213.66681	1.0
218.08081	5.1
220.09801	1.2
232.99681	1.0
236.09215	5.0
237.57913	1.0
241.09703	1.4
248.09222	12.8
256.11856	1.3
266.10184	1.2
281.08472	1.8
284.11411	1.5
302.11551	1.1
302.20837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03947	1.8
55.01866	3.4
55.05513	14.3
57.03410	1.2
59.04992	2.5
61.74925	1.0
65.03934	1.7
67.05507	48.0
69.03432	1.3
69.07066	14.4
70.63576	2.2
70.63948	2.5
71.04961	3.2
71.76105	1.1
72.47999	1.1
73.64066	1.0
79.05496	6.2
81.07059	26.2
83.04990	1.5
83.08585	2.9
85.14338	1.0
91.05491	13.5
93.07050	18.3
95.04972	23.0
95.08611	21.2
97.06518	5.2
105.07046	9.6
107.04942	1.6
107.08594	41.6
109.06526	15.5
109.10160	87.5
117.06989	4.4
119.08584	62.2
121.06482	4.0
121.10128	9.1
122.07299	2.4
123.08078	15.7
123.11721	2.7
129.07014	2.0
131.08527	2.9
133.10164	6.5
135.08047	21.9
135.11684	5.6
137.09624	68.3
143.08571	2.3
145.10133	6.1
147.07997	1.5
147.11656	3.9
149.09604	5.3
149.13232	1.4
151.07584	3.9
151.11157	1.5
156.09402	2.8
157.10101	3.4
159.11693	4.8
161.09616	5.7
161.13295	5.6
163.11180	4.5
165.09074	1.7
165.12759	10.3
171.11705	3.8
173.13318	6.0
175.11148	1.5
175.14815	2.3
183.11681	1.6
185.13274	2.4
187.14867	1.4
189.12674	1.6
191.14314	51.1
199.14827	2.3
203.73230	1.1
205.15944	5.7
207.13953	1.4
209.13248	2.1
211.14795	1.2
213.12830	2.9
217.15881	5.0
221.15321	7.9
227.14281	3.1
231.13843	1.8
236.51022	1.2
269.18997	1.7
283.20660	7.0
301.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	11-cis-Retinoic acid
Peak:m/z	Relative Intensity
50.42602	1.6
51.49186	1.8
52.01015	1.4
53.03952	2.1
55.05511	5.9
57.07067	6.0
61.33644	1.5
65.03941	1.7
67.05512	18.6
69.03436	4.5
69.07069	11.2
71.04994	6.1
79.05488	10.9
81.07066	19.9
81.83614	1.6
83.04973	2.4
83.08613	3.8
85.06554	4.5
91.05492	25.1
93.07043	25.0
95.04971	11.4
95.08607	20.4
97.06544	9.3
103.05465	2.2
105.07032	44.1
107.08601	40.1
109.06525	41.4
109.07266	2.9
109.10160	27.7
111.08109	4.7
115.05489	2.7
117.07008	13.4
118.55104	1.9
119.06106	1.7
119.08588	52.6
121.06513	6.8
121.10143	23.4
123.08048	4.2
123.11707	3.9
128.06206	4.5
129.07025	9.0
130.07797	5.4
131.08571	52.5
133.10139	37.5
135.08063	27.6
135.11655	8.4
137.09612	4.7
139.11160	2.9
142.07796	5.5
143.08539	21.5
144.09335	8.1
145.10130	50.3
146.07283	6.9
147.08018	3.8
147.11708	12.9
149.09631	4.0
149.13257	8.4
153.09154	1.6
155.08589	2.0
156.09395	4.2
157.10124	11.6
158.10918	12.9
159.08076	7.1
159.11702	14.2
161.09631	77.0
161.13315	4.6
169.10130	3.1
171.11693	7.8
173.13272	100.0
175.11229	2.6
175.14839	9.3
177.12759	1.8
179.08662	3.1
183.11705	6.1
185.13286	8.6
187.11198	1.7
187.14822	3.2
191.14305	26.0
193.10254	2.0
194.10884	3.9
195.11707	5.2
197.13249	2.4
199.14806	8.5
201.12779	4.8
201.16399	2.9
205.15961	1.7
209.13293	11.0
213.12675	3.1
213.16457	2.9
223.14917	3.1
223.39691	2.0
225.16429	4.5
227.14285	5.3
238.57240	1.7
255.21170	3.0
265.19559	7.6
283.20569	8.4
301.21628	14.2
302.30533	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	301.2162
Annotation	9-cis-Retinoic acid
Peak:m/z	Relative Intensity
55.01868	2.6
55.05515	9.6
55.05733	2.2
56.22658	1.8
57.07076	10.7
62.37463	1.8
65.03929	3.5
67.05512	15.9
69.03433	4.6
69.07072	11.0
69.35495	15.4
71.04983	3.3
79.05489	14.9
81.07069	19.8
83.08630	2.5
85.06538	3.2
91.05486	20.7
93.06576	2.3
93.07055	26.2
95.04963	11.8
95.08601	20.9
97.06514	7.6
105.07034	45.2
107.08605	29.6
109.05822	2.3
109.06527	33.7
109.10163	26.8
109.21060	2.1
111.08070	4.0
115.05494	2.4
117.07032	12.1
119.06004	2.3
119.08586	45.5
120.36905	2.0
121.06515	7.0
121.10137	25.5
123.08062	4.9
123.11734	6.6
128.06248	4.4
129.07013	4.9
130.07758	3.6
131.08585	47.0
133.06422	2.5
133.10135	34.7
135.08041	22.6
135.11682	7.2
136.19942	1.9
137.09613	4.3
142.07794	4.2
143.08553	17.7
144.09386	3.9
145.10127	50.4
146.06079	1.9
146.07272	7.2
147.11694	13.4
149.09639	4.3
149.13231	8.8
156.09265	2.4
156.18799	2.0
157.10121	13.7
158.10899	13.5
159.08043	4.7
159.11684	15.6
161.09624	64.0
161.13242	3.5
167.08704	1.9
169.10077	3.0
171.11678	9.9
173.09642	2.7
173.13271	100.0
175.11150	3.9
175.14792	13.2
176.98506	2.4
179.08589	3.2
181.10046	2.8
183.11685	5.6
185.13225	7.8
187.14812	6.4
189.12654	3.2
191.14287	25.2
195.11577	3.0
197.13309	2.1
199.14798	9.1
201.12695	4.0
201.16313	4.7
209.13280	9.8
210.14020	3.0
211.14789	2.1
213.16278	2.8
223.14729	6.0
225.16376	3.1
227.14316	7.7
243.17287	2.1
265.19492	8.8
283.20651	10.8
283.27835	2.7
301.18207	2.9
301.21573	19.8
302.30579	18.9
319.95355	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63795	0.7
57.07063	0.8
70.06594	1.7
71.50716	0.8
72.08160	0.7
85.02892	0.9
86.09695	2.8
114.26675	0.6
139.03949	0.7
139.08655	1.5
147.04349	0.6
152.26538	0.6
157.06535	1.0
158.96172	0.6
175.08908	0.6
195.04495	1.0
203.05365	1.0
213.05438	1.6
223.03938	1.9
233.43518	0.7
237.05400	0.8
241.04974	2.1
251.03392	2.1
255.06442	1.2
269.04611	3.8
269.07413	0.8
283.06067	2.8
294.69461	0.9
301.07031	6.7
301.12579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25783	0.9
54.45516	1.1
55.01876	6.7
55.05503	2.0
56.96559	1.5
57.03428	1.0
66.91983	1.1
67.05515	5.2
68.56133	1.1
69.07061	2.6
70.06613	2.3
71.04985	2.5
71.51915	1.6
72.08219	1.0
79.05502	4.5
81.03423	1.5
81.07060	7.3
83.08605	2.3
84.08163	1.6
85.02924	1.3
85.06548	1.3
91.05460	5.2
93.07060	5.3
95.04957	2.5
95.08628	5.6
97.06535	2.6
98.97605	1.2
105.07043	3.0
107.04958	2.0
107.08607	3.5
109.06533	1.9
109.10160	4.3
111.04373	1.1
111.53243	1.0
116.85198	1.1
117.07030	2.0
119.05007	1.2
119.08605	4.4
121.06497	1.4
121.10149	2.8
123.08041	1.6
129.05473	2.5
129.06981	2.1
131.00212	1.1
131.08601	2.9
133.10149	3.2
135.08080	1.5
135.11748	1.5
137.09630	1.3
143.08521	1.7
145.10161	3.4
149.09625	2.4
153.06984	1.6
157.08786	1.2
157.10152	1.2
159.11705	2.0
163.07445	1.4
163.11203	1.2
165.07002	1.4
167.07281	3.0
168.08069	1.8
169.10136	1.2
170.08388	2.1
170.09554	2.0
171.11687	1.3
171.54486	1.2
173.13318	1.2
181.06546	2.7
182.09718	2.3
183.06679	1.3
183.09225	1.5
184.07715	1.5
184.09895	2.1
185.10764	2.7
187.14742	1.5
192.08151	1.2
194.08446	1.2
196.07602	1.6
196.10001	1.3
197.07088	7.4
198.07884	16.1
198.09343	1.6
199.08739	2.4
199.12291	2.5
209.10712	4.4
210.09123	5.6
211.08701	5.4
211.14874	2.2
212.09384	13.3
213.06827	1.4
213.10263	21.5
215.10759	1.7
222.07921	3.0
225.06635	11.1
225.10239	1.5
226.07397	39.2
226.10826	1.8
227.08154	3.6
227.11783	10.9
229.09782	16.6
229.15715	1.4
237.10283	2.2
239.08179	3.2
240.08948	19.0
241.09741	100.0
247.16956	3.5
251.07050	1.2
255.11296	30.9
265.18011	4.9
268.08371	1.6
283.10794	97.1
301.03741	1.4
301.07190	2.5
301.11542	18.5
301.17990	7.4
301.21616	2.2
304.53619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2897
Annotation	3-ketosphinganine
Peak:m/z	Relative Intensity
55.01866	0.9
55.05511	4.9
56.05037	11.0
57.07076	11.2
58.06601	0.9
60.04232	0.6
60.04526	11.2
67.05508	4.2
69.03452	0.4
69.07068	6.6
69.47965	1.0
69.48371	1.0
70.06599	3.1
71.04980	0.7
71.08293	0.4
71.08634	5.2
72.04508	1.4
77.18813	0.3
79.05492	1.7
81.07060	5.3
82.06551	0.7
83.04955	1.4
83.08614	3.8
85.10181	2.3
86.06071	4.4
89.06010	0.4
90.61633	0.3
91.05472	0.8
93.07030	1.9
95.08606	7.4
97.06540	0.5
97.10188	1.7
99.06843	0.6
105.07009	0.5
106.06207	0.4
107.08584	1.4
109.10169	2.2
119.08569	0.7
121.10122	1.2
123.11671	0.5
135.11670	0.4
137.13185	0.4
141.45085	0.3
143.32495	0.3
152.07803	0.3
171.11829	0.5
193.04745	0.3
210.77675	0.4
240.26770	1.7
243.64026	0.7
252.26880	0.9
254.28421	7.4
263.16910	0.5
264.26840	2.2
265.25278	1.4
270.27914	23.0
271.67188	1.7
272.17120	0.4
282.27908	18.1
299.70230	1.2
300.28970	100.0
301.29282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1185
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
50.72515	0.7
53.03963	0.7
55.01876	5.6
55.05516	2.5
57.03440	2.0
65.03939	1.0
67.05511	5.4
69.03432	1.2
69.07079	1.8
69.50661	5.0
70.06587	1.7
71.05000	1.0
71.32690	0.7
79.05506	3.5
81.07062	4.2
82.82050	0.6
83.04977	2.0
83.08614	1.6
84.08144	1.3
85.02921	1.0
85.06542	1.1
91.05482	3.7
93.07054	4.6
94.06580	1.6
95.04968	1.3
95.08617	3.1
95.28142	0.7
97.06518	1.7
97.10202	1.0
98.20795	1.4
99.71011	0.9
105.07036	4.0
107.04952	1.2
107.08607	3.3
109.02930	0.9
109.06531	1.2
109.10159	1.7
110.06041	0.6
111.08112	1.1
115.05518	0.7
116.04716	1.2
117.07037	1.4
119.08595	3.1
121.06505	1.5
121.10139	2.1
123.08110	1.2
125.09641	0.9
129.05470	1.8
129.06964	1.2
131.08530	3.5
133.06564	0.8
133.10129	2.8
135.08080	1.5
135.11691	1.2
137.06007	1.7
139.07562	1.0
141.06979	1.3
143.07173	0.7
143.08560	1.5
144.08107	1.6
145.10107	3.4
147.08051	1.0
147.11700	1.4
149.06058	0.8
149.09642	1.3
151.07555	1.4
152.06233	1.5
153.07056	1.5
154.06570	0.9
155.07297	1.2
155.08588	0.8
157.08763	0.9
158.09731	1.1
159.05519	0.8
159.11722	1.9
160.92368	0.8
161.09615	1.1
161.13377	0.8
165.06969	1.1
167.07327	3.2
168.08087	2.2
169.07654	1.5
169.08907	1.6
169.10150	1.2
170.08398	2.5
170.09662	2.5
173.09592	0.8
173.13205	0.9
181.06497	1.0
182.09671	1.4
183.09218	1.9
184.07683	0.9
184.09958	3.4
184.11322	1.6
185.07071	1.7
185.10771	3.3
185.13312	0.8
187.08719	1.1
187.11145	0.8
192.08150	0.9
196.07578	0.9
197.07069	7.9
197.08437	1.0
198.07895	13.5
198.09366	1.1
198.10916	0.8
199.08461	1.5
199.12309	2.2
205.12193	0.7
209.10779	3.9
210.09204	4.5
211.08710	6.3
211.14845	2.8
212.09329	11.8
213.07001	0.9
213.10280	20.1
222.07869	2.7
224.07092	1.3
225.06630	13.1
225.10156	1.4
226.07397	39.1
226.10907	1.2
227.08328	3.6
227.11784	9.6
228.08824	0.8
229.09746	17.0
229.15852	1.4
237.10286	2.1
238.08604	1.4
239.08156	4.8
240.08963	18.7
241.09737	100.0
245.11613	0.9
247.16927	3.2
253.09802	1.2
254.10564	0.9
255.11298	31.6
257.12949	1.0
265.18008	6.3
268.08466	1.5
283.10788	94.0
286.04782	0.9
301.03799	1.3
301.07208	2.1
301.11597	18.4
301.15070	1.3
301.17975	4.1
301.21591	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	300.1595
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
53.03950	0.5
55.01863	0.6
55.54865	0.3
58.02950	0.4
66.02332	0.3
67.97475	0.3
69.95773	0.3
70.06583	2.0
71.51684	0.4
72.08147	0.9
78.94757	0.3
79.05508	0.8
80.10835	0.4
81.03423	0.4
84.04499	0.6
84.08157	1.1
85.02923	0.6
86.09703	1.7
89.06044	0.5
91.05478	1.2
93.07033	1.1
95.04973	0.9
100.11260	0.7
103.05477	1.0
105.04541	0.4
105.07030	0.5
107.04958	74.7
109.06515	0.4
111.04449	0.3
114.09183	1.8
114.57124	0.4
115.05450	3.8
117.07032	1.0
119.04948	1.4
120.08095	0.8
121.06510	4.3
124.07490	0.4
129.07007	0.3
131.04939	2.0
133.06458	1.1
136.06190	0.5
137.05980	6.9
142.08617	0.8
142.12311	0.5
143.04933	7.4
144.05698	0.7
145.05418	0.5
145.06490	6.3
147.04448	0.4
147.08054	1.1
149.06053	0.6
151.07542	1.4
153.06905	0.4
155.06026	0.5
155.08554	0.6
159.14960	0.7
160.05185	2.2
163.07532	2.0
165.07004	1.3
166.07703	0.5
167.08582	0.5
175.07555	12.3
177.05463	0.5
178.08641	1.2
179.08565	0.7
180.10254	0.7
181.06506	1.0
181.10167	0.8
182.07280	0.6
183.08087	1.4
183.24533	0.3
191.08589	2.1
192.06552	0.5
192.10181	1.6
194.07141	2.0
195.08162	0.7
197.09625	3.5
206.98058	0.3
209.09637	6.5
211.07556	1.3
211.11136	0.6
212.08200	0.5
219.08090	1.6
225.09033	2.3
237.09111	9.1
238.09871	0.4
239.07062	3.6
239.10712	1.1
240.07770	0.5
254.09352	2.3
257.11700	1.8
268.13501	0.6
269.11734	19.0
271.09732	0.9
271.13235	1.1
280.90930	0.4
282.21796	0.3
300.15939	100.0
301.16245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.0
55.01865	3.1
55.05514	18.1
57.03438	12.1
65.03928	3.7
67.05510	58.4
69.03419	1.7
69.07076	13.4
69.37729	2.7
69.38135	9.2
71.04976	2.2
73.06553	2.0
79.05496	84.9
81.03429	7.9
81.07063	45.4
83.04990	14.9
83.08614	7.6
85.06564	4.1
89.74556	1.4
91.05488	68.4
93.07051	95.5
95.04974	15.5
95.08607	24.0
97.06525	3.6
97.10199	3.7
99.04469	1.7
99.08071	1.8
105.04513	2.6
105.07040	50.8
107.04961	4.1
107.08593	17.2
109.06517	7.2
109.10163	4.7
111.08121	2.5
117.07037	11.6
118.16509	1.5
119.08588	23.8
121.06516	4.6
121.10146	4.7
123.08109	7.4
127.07613	1.9
128.06169	2.1
129.07013	19.9
130.07770	1.7
131.08583	4.2
133.10127	12.7
135.07990	1.4
135.11749	3.0
143.08600	12.2
145.10138	15.1
147.07954	3.7
147.11693	54.1
161.09581	7.2
161.13251	14.4
163.11182	4.3
171.11697	41.6
177.64386	1.8
189.12732	19.4
207.13812	30.3
255.98123	1.5
281.17493	100.0
299.19980	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	299.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01862	5.1
55.05513	10.6
55.16672	1.1
57.03448	10.3
59.04990	1.6
61.02922	8.0
65.03932	2.1
67.05492	4.9
69.03434	100.0
69.07053	1.8
69.19492	7.6
69.19904	3.7
70.06578	1.6
71.04994	8.1
73.02895	3.7
73.73186	1.1
75.04468	1.6
79.05478	5.0
81.03423	6.9
81.07053	3.8
83.04494	1.6
83.04987	31.9
83.42447	1.1
85.02907	31.4
87.04488	7.4
91.04984	1.3
91.05491	14.1
93.07039	2.2
95.04985	2.3
95.08597	3.7
99.04426	6.3
103.03944	10.1
105.07040	9.6
107.04943	1.7
107.08598	96.5
109.06508	3.7
109.10120	2.4
111.03712	2.0
111.04440	23.6
119.04974	1.3
119.06068	2.5
119.08591	6.2
119.43254	1.1
120.49033	1.1
121.10157	2.6
129.04510	1.9
129.05484	39.6
129.06956	1.9
131.08560	1.4
133.10152	1.8
135.08058	92.5
136.06212	2.8
137.09613	1.5
139.07555	1.4
147.04552	1.7
147.06522	20.2
149.06004	1.4
160.35625	1.1
160.87938	1.1
163.11177	2.6
165.07643	17.4
165.09007	1.4
257.12952	2.1
263.16324	1.9
267.15918	1.8
299.06015	1.8
299.09415	6.0
299.13861	2.2
305.78772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
58.99861	0.5
59.01774	0.3
69.07064	0.8
69.86967	0.4
70.06577	0.6
70.95890	1.8
70.96201	0.4
71.50440	0.5
82.99876	0.5
83.04980	2.5
83.08585	0.5
84.08156	0.9
85.01414	0.9
90.19960	0.3
95.08638	0.4
98.97589	1.9
101.00877	3.9
103.02457	3.4
109.10229	0.4
111.04436	1.8
111.08086	0.4
113.05988	1.2
116.98606	1.2
118.71387	0.4
119.01929	11.1
121.03496	0.9
125.04475	0.4
127.07558	1.5
137.02988	2.1
141.03973	1.0
143.05544	4.8
145.03467	5.2
147.05026	3.9
153.03928	0.6
155.05614	1.0
155.07021	13.1
157.07126	4.3
159.05084	0.7
161.06606	5.7
163.04541	5.8
165.06091	1.7
166.09718	0.5
167.05577	0.7
169.03421	0.5
169.07082	3.1
171.05052	2.8
173.06625	0.5
174.97635	0.4
175.08167	6.4
175.09644	0.4
177.00954	1.2
178.01105	0.9
179.98485	0.5
180.00807	0.5
181.05013	0.6
183.05054	0.9
183.08641	0.7
185.06598	8.0
187.04517	1.2
187.08162	11.0
189.06091	13.2
190.94855	0.5
191.95081	0.7
193.03444	0.5
193.10834	1.0
194.11139	1.3
195.05046	1.5
201.06136	0.5
201.09723	2.3
203.07680	2.0
204.02623	1.0
205.05592	0.7
207.07059	0.8
209.06505	0.4
209.96127	1.7
210.95918	0.7
211.04530	5.1
211.08179	1.1
213.06128	6.4
213.09679	4.6
219.01994	3.6
220.02110	1.1
221.01767	0.7
222.01939	1.3
229.05551	1.6
231.07188	2.6
231.10881	1.1
232.96120	0.4
233.96136	2.2
234.03592	0.7
234.95958	1.1
237.06108	1.5
239.07686	0.8
239.11420	0.8
240.11652	1.8
247.06892	0.5
251.97125	1.7
252.96944	1.1
255.07210	3.1
255.10796	5.1
256.97153	1.1
257.03552	0.8
257.08652	4.7
257.96326	0.5
258.99780	1.2
261.03015	0.8
262.03207	2.7
274.97406	1.5
275.04562	0.7
275.09634	0.5
275.97171	7.8
276.00714	0.4
276.01688	0.5
276.04593	3.0
276.96985	1.4
277.00500	0.7
292.98285	0.5
293.98105	2.4
294.97769	0.6
298.98376	2.4
299.09760	100.0
299.18829	2.1
300.10080	1.3
316.98752	2.4
317.10782	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	298.2743
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
53.03941	1.2
55.05517	11.1
56.04797	0.5
56.05039	6.1
57.07080	2.4
58.02961	2.1
58.55363	0.5
60.04527	2.1
64.80849	0.5
65.03931	0.9
65.92330	0.4
67.04235	0.8
67.05509	17.1
68.05029	2.3
69.03395	0.5
69.07072	11.1
71.08617	1.0
72.04517	0.9
74.06063	0.4
74.17329	0.4
76.47232	0.4
76.94560	0.4
79.05499	10.8
79.06202	0.4
80.05016	2.0
81.03410	0.8
81.06602	0.8
81.07064	14.1
82.06588	7.3
82.07373	0.4
83.04977	0.9
83.08625	6.7
84.08145	0.9
85.10195	0.7
86.06058	1.8
91.05495	5.5
91.18896	0.3
93.07056	6.5
94.06573	3.2
95.04957	1.2
95.07362	0.6
95.08614	11.3
96.08144	1.4
97.06527	0.8
97.10172	2.6
98.06070	0.9
100.07607	1.9
105.04494	0.6
105.07034	2.7
107.08601	3.1
108.08119	1.0
109.06557	0.6
109.10162	4.6
112.07634	0.8
114.09225	0.7
119.08586	3.2
121.10151	3.1
122.09673	0.9
123.11678	1.3
133.10178	1.9
135.11682	1.7
136.06181	1.7
137.13269	0.5
147.11714	0.7
149.06142	0.3
161.13246	0.4
191.17989	0.5
210.56749	0.4
219.47118	0.4
233.22653	0.4
245.22652	1.3
250.25314	6.3
260.23816	0.6
262.25336	3.6
263.23547	0.9
280.26367	100.0
281.26608	0.6
298.27429	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01868	0.4
55.05511	10.2
56.04795	0.4
56.05039	5.6
57.03440	0.6
57.07081	2.6
58.02966	2.1
60.04528	2.5
65.03934	0.8
67.04227	0.6
67.05505	18.5
68.05034	2.8
69.03418	0.5
69.07072	10.0
69.90356	1.2
71.08622	1.1
72.04515	0.7
72.08152	0.3
74.06076	0.7
79.05494	10.4
80.05013	2.2
81.03417	1.1
81.05779	0.5
81.07057	15.9
82.06580	7.4
83.04993	0.7
83.08614	6.3
84.08148	0.7
84.08965	0.3
85.10195	0.5
86.06070	2.1
87.04443	0.3
91.05482	8.1
93.05772	0.3
93.07045	6.9
93.07636	0.3
94.06580	3.1
95.04964	1.3
95.07334	0.6
95.07982	0.5
95.08610	10.8
96.08131	2.1
97.06525	1.1
97.10165	2.5
98.06020	1.4
98.21388	0.4
100.07606	1.8
105.07030	3.1
106.06556	0.3
107.07359	0.3
107.08592	3.3
108.08117	1.3
109.06549	0.5
109.10165	4.1
109.98509	0.3
110.09678	0.4
111.11671	0.5
112.07591	0.9
119.08603	2.8
121.10151	3.5
121.82448	0.3
122.09656	1.2
123.11700	1.1
126.09175	0.4
131.08466	0.3
133.10133	2.1
135.11656	1.4
136.06166	2.8
136.11198	0.4
137.13278	0.6
140.10672	0.6
145.03261	0.3
147.11699	0.7
149.13283	0.4
150.89456	0.3
154.12260	0.5
157.40591	0.3
161.13115	0.4
191.17938	0.4
240.66154	0.3
245.22626	0.6
250.25316	7.3
260.23914	0.4
262.25320	3.2
263.23718	0.7
280.26352	100.0
281.26736	0.3
298.09998	0.3
298.18814	0.5
298.27365	0.8
299.20053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.2
55.01874	1.9
55.05321	0.9
55.05517	8.9
57.03429	7.3
59.04997	6.4
61.01139	3.5
61.02932	11.5
67.05492	1.1
69.03432	17.0
70.06586	4.5
70.49006	3.3
71.04992	2.3
73.02921	4.5
73.06560	17.5
75.02702	1.6
81.03419	8.1
84.08128	1.7
85.02911	100.0
86.09698	1.4
87.04475	9.0
91.03981	5.6
91.05459	2.1
97.02901	23.4
99.04449	4.1
101.06024	35.9
106.03699	2.1
109.02868	6.8
110.11978	1.2
119.04918	4.3
119.07067	27.1
123.82710	1.1
127.03934	25.2
136.06184	54.2
136.07558	12.9
145.04971	54.3
147.04396	1.9
154.04842	1.2
163.06050	11.0
165.05473	1.8
180.08614	3.3
182.08145	1.7
193.10901	2.3
239.11447	4.3
252.08640	6.8
298.09494	3.4
298.18530	1.8
300.06393	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	298.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.9
59.04988	6.2
59.72186	5.0
69.70863	16.8
73.06549	20.0
79.88020	4.1
81.13425	4.4
83.04996	5.1
85.02901	7.6
98.20797	5.5
101.06028	100.0
119.07059	41.0
132.86713	4.2
135.04601	5.1
135.39188	5.1
136.06197	64.3
165.06984	6.1
166.07260	7.2
179.08571	11.4
183.08051	11.6
193.10866	9.5
207.08034	25.9
211.07652	9.4
235.07562	27.8
239.07068	16.0
239.11331	6.0
252.10233	16.5
278.34283	4.8
281.08273	10.1
298.10648	19.8
300.06238	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	298.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
56.05043	1.9
57.03425	2.4
57.07078	27.6
61.01145	2.1
61.02917	3.5
62.06087	5.0
63.04496	19.5
67.05494	2.3
69.03423	4.8
69.07068	2.0
69.55001	3.5
69.55416	3.7
70.06600	11.0
71.04988	2.9
71.99410	1.1
72.08162	1.9
73.02920	1.5
75.02705	1.2
79.05489	2.0
81.03415	1.9
81.07070	3.9
83.08619	1.3
84.08138	5.0
85.02911	19.4
86.06032	1.1
86.09706	4.6
87.04472	1.8
91.05486	2.0
93.07046	1.6
93.75459	1.1
94.62928	1.1
95.08649	1.4
95.41190	1.0
97.02887	6.7
98.20839	2.6
99.04474	1.4
101.09637	1.3
105.03356	1.5
105.07037	6.9
106.03683	1.5
107.08614	2.1
109.02895	2.2
109.10178	2.4
110.07181	2.3
114.17049	1.3
117.07034	1.4
119.03554	1.6
119.08565	4.6
119.10703	100.0
120.08105	4.5
121.06560	1.5
121.10188	1.4
126.09081	1.3
127.03912	3.3
129.10295	1.3
132.03464	1.2
132.73160	1.2
136.06195	49.4
145.04971	4.6
145.10109	6.9
147.08101	1.4
159.04449	1.7
159.11650	3.5
160.03970	3.1
161.13290	4.6
174.09073	1.2
181.06786	1.4
193.10905	2.3
201.16418	3.3
235.07547	1.3
238.17979	1.3
239.11426	1.3
252.29706	1.1
298.07019	16.3
298.09924	1.5
298.20102	14.0
298.23788	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
50.08280	0.1
50.99673	0.2
52.58437	0.1
52.65112	0.1
53.05123	0.1
57.56782	0.1
59.00114	0.1
61.01152	5.2
61.24493	0.1
69.03413	0.2
70.06586	0.5
71.06387	0.1
71.14868	0.3
75.02707	2.4
75.27766	0.2
81.07054	0.2
84.08141	0.4
86.09687	0.4
87.04441	0.2
94.04045	0.4
97.02906	1.4
98.88782	0.1
103.02171	0.4
110.07198	0.2
119.03527	0.9
122.06042	0.2
123.06782	0.2
124.03970	0.2
129.10265	0.3
130.15903	1.3
131.16251	0.6
136.06187	100.0
137.04594	0.3
145.03188	1.4
163.04239	1.7
189.05608	0.1
207.36697	0.2
239.11340	0.2
298.09702	5.4
298.12823	0.3
298.16562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.2
57.03442	5.1
58.85097	1.8
59.05004	26.7
61.01147	4.1
61.02936	10.6
62.57964	1.9
69.03440	17.3
70.06598	4.8
71.01351	1.9
71.04999	3.2
71.51406	2.2
71.51794	2.2
72.08167	1.9
73.02935	3.3
73.06569	19.9
73.78274	2.1
75.02701	2.6
81.03409	5.3
83.04982	1.9
83.16904	1.9
84.04523	3.5
84.08157	2.8
84.44652	1.9
85.02911	94.5
86.09719	2.4
87.04478	37.1
91.03949	5.8
91.05517	3.3
97.02900	25.2
99.04423	4.3
101.06023	94.0
107.08614	1.9
109.02882	6.2
119.07063	84.7
124.03908	2.3
127.03918	22.1
136.06190	100.0
136.07545	9.5
136.09685	2.4
145.04965	49.3
147.04395	2.9
160.69246	2.1
163.04134	2.4
163.06018	10.6
165.05499	2.8
167.37599	1.8
177.94200	2.1
193.10852	4.3
206.08276	2.3
218.51579	1.9
239.11496	6.6
245.59692	2.0
252.08746	6.8
298.09680	6.9
298.12885	2.8
313.56964	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	297.2425
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
54.81696	1.4
55.01863	1.6
55.05515	11.8
57.03436	1.6
57.07076	30.4
59.04985	1.9
62.30204	1.4
67.05506	35.7
69.03429	3.4
69.07064	11.9
69.55110	9.8
75.04453	3.8
78.44024	1.3
79.05499	13.2
79.63373	1.6
81.06585	2.8
81.07056	33.8
83.04974	6.1
83.08606	9.9
85.06544	4.3
85.10184	77.9
86.58060	1.3
89.06008	1.7
91.05477	23.8
93.07045	21.7
93.07605	1.3
95.04993	2.4
95.07992	1.8
95.08606	30.7
97.06529	4.6
97.10169	3.3
99.08082	2.0
105.07036	15.0
107.08593	18.1
109.06547	4.5
109.10164	8.9
111.08096	3.8
113.09647	100.0
115.07574	2.5
117.07029	4.8
119.08581	7.7
121.06474	5.5
121.10149	14.5
123.08070	4.9
123.11734	7.9
125.05994	2.0
125.09649	2.3
129.07048	1.9
131.08549	8.5
131.10674	5.9
133.10132	45.5
135.08073	13.1
135.11684	7.7
137.06000	2.0
137.13254	1.6
141.12785	1.8
143.08577	2.4
145.10144	7.7
147.08043	2.2
147.11711	6.9
149.09625	12.7
149.13264	38.8
151.11241	12.0
153.12727	3.6
153.58276	1.3
159.07997	2.6
159.11711	5.4
161.13214	1.8
163.07556	10.0
163.11182	1.9
163.14827	4.4
165.12767	4.3
167.14325	15.9
171.11673	1.9
173.13289	4.8
175.11223	1.9
176.11934	2.0
177.09145	3.9
177.16370	2.3
181.10123	1.5
181.15930	7.6
187.14821	11.1
191.14310	19.7
191.17177	1.5
205.15936	6.6
215.14345	4.1
233.15370	40.0
233.22676	2.7
243.21088	11.7
247.16931	4.0
261.22134	21.1
265.18002	8.5
279.19955	4.0
279.23181	86.7
297.17917	3.2
297.20712	11.5
297.24225	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	297.2425
Annotation	Vernolic acid
Peak:m/z	Relative Intensity
53.03935	0.8
55.05513	10.8
57.03436	1.0
57.07082	2.7
61.02736	0.5
65.03938	2.0
67.05505	62.8
69.03410	0.9
69.07068	15.7
70.03258	2.0
70.04070	1.2
71.04985	3.6
71.08613	0.7
79.05064	1.0
79.05493	10.0
81.03412	0.6
81.07056	75.5
83.04976	1.7
83.08616	9.4
83.09069	0.9
85.02902	0.6
85.06548	2.9
85.10188	0.6
91.05473	6.0
93.07043	14.9
95.04974	1.3
95.08607	100.0
97.06542	2.4
97.10172	6.0
98.97601	0.7
99.08083	1.3
101.06017	1.0
101.67487	0.4
105.07036	5.1
107.08589	10.5
109.06521	1.5
109.10159	36.5
111.08095	1.5
111.11710	1.8
113.09645	17.5
117.07040	2.1
119.08578	5.0
121.06483	0.8
121.10132	8.5
123.08075	1.6
123.10824	1.1
123.11707	16.5
125.09649	1.2
127.07543	1.3
131.08569	5.2
133.10139	6.7
133.40739	0.5
135.08044	1.3
135.11697	8.0
137.09630	1.7
137.13263	6.7
139.11115	0.6
141.09094	0.6
143.08583	0.7
145.10130	2.8
147.11685	6.0
149.09584	1.7
149.13266	7.5
151.11192	2.1
151.14862	2.8
153.09100	0.7
153.12801	1.2
159.11714	5.0
159.76451	0.5
161.13266	4.8
163.11232	1.1
163.14819	2.3
165.12721	2.5
167.10698	1.0
173.13220	4.6
175.14813	1.7
177.12770	4.5
177.16406	1.7
179.14320	2.5
181.12241	1.9
187.14838	2.8
191.14366	2.6
195.13786	8.1
201.16408	1.0
205.15881	1.6
209.15384	4.3
213.14850	1.4
219.21086	1.1
223.16914	2.6
237.18489	0.8
243.21092	5.4
261.22116	5.7
279.23187	27.3
297.18893	0.8
297.24481	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05509	0.6
57.03420	0.5
57.07078	4.8
61.69650	0.3
67.05501	0.4
69.03427	0.8
69.07066	0.6
70.06584	1.0
71.04980	0.3
71.51653	0.4
72.08141	0.6
73.02913	0.6
74.09724	5.9
75.83189	0.3
79.05446	0.4
81.03429	0.5
81.07059	0.5
84.04498	0.4
84.08141	1.2
85.02905	1.3
86.09722	1.6
87.04440	0.4
88.03992	0.5
91.05486	2.5
93.07051	0.7
94.06607	0.4
95.04971	0.6
95.08614	0.5
97.02902	0.8
98.97607	0.4
102.09182	0.8
104.03487	0.3
105.07037	0.5
109.10172	0.4
111.04408	0.3
115.03944	0.4
117.09144	0.6
119.04981	1.9
120.05259	0.4
120.08110	0.7
123.04430	0.3
128.07123	0.3
129.10248	0.6
130.15927	100.0
132.10179	0.4
133.04973	0.6
136.07587	10.4
139.03867	0.3
143.08673	0.4
146.05995	0.9
147.04352	1.6
148.04782	2.1
148.05783	0.3
149.02321	0.5
150.07774	0.4
151.53516	0.3
152.36989	0.3
161.10786	0.3
163.03944	1.3
174.05540	0.4
202.03395	0.3
221.05974	1.1
241.54091	0.3
249.05447	0.6
277.12021	0.3
277.95404	0.3
295.05969	2.7
295.12674	0.9
295.16458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89882	2.3
64.06249	2.2
67.14285	2.1
70.06584	2.4
70.53127	4.2
70.53497	4.5
72.56858	2.0
81.07041	6.7
84.04493	9.7
84.08113	2.8
85.02906	5.2
88.03998	3.9
91.11309	2.2
93.72535	2.1
97.02888	3.5
99.08102	100.0
101.00594	2.3
102.05544	3.1
105.03389	4.1
117.09142	35.9
130.04967	3.6
145.02847	2.6
148.06044	4.9
149.02335	9.2
152.05771	2.7
162.74501	2.2
163.03906	6.3
186.05524	4.7
222.06247	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	297.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01860	1.5
55.05509	5.2
57.07083	2.2
59.05007	2.5
66.39169	1.2
67.05512	7.7
69.03432	9.4
69.07077	11.5
71.05016	2.1
71.08639	1.6
71.52954	1.3
71.53338	1.9
75.04477	2.0
78.01125	1.1
79.05488	7.4
81.07060	11.6
83.04983	1.2
83.08646	2.3
85.06564	2.6
91.05479	7.8
93.07055	11.9
95.04997	6.5
95.08618	10.5
95.36599	1.3
97.02900	1.4
97.06546	2.7
103.05439	1.4
105.07046	11.9
107.08604	15.5
109.06564	7.3
109.10194	4.2
111.08051	2.2
115.07582	13.6
117.07054	4.4
119.08591	7.3
121.06510	9.6
121.10168	8.1
122.07386	1.4
123.08077	9.4
123.11711	5.5
125.09663	1.3
129.05498	2.3
129.07076	1.9
131.08586	6.5
133.10127	8.2
135.08069	24.6
135.11679	7.5
137.06079	1.9
137.09639	1.8
143.08617	3.1
145.10138	11.9
147.08072	3.5
147.11720	4.8
149.06001	2.3
149.09618	8.0
151.07564	1.9
151.11195	2.0
155.08600	1.4
157.10123	3.8
159.08058	2.9
159.11743	3.0
161.09706	3.5
161.13269	1.7
163.07549	9.3
163.11230	4.3
163.14845	1.6
164.08388	1.7
165.09120	2.3
165.12874	1.8
165.94997	1.3
169.10213	2.8
171.11755	1.3
173.09631	1.9
173.13319	4.6
175.11253	2.4
176.12025	4.5
177.09145	7.2
181.10086	1.5
187.11240	2.7
187.14880	5.7
191.14325	69.6
195.10278	1.7
197.13347	2.2
205.15883	13.5
209.11708	1.5
215.14330	12.9
223.16849	1.5
233.15385	100.0
246.08975	1.3
247.17010	7.9
265.17987	21.5
279.19644	9.2
279.22610	4.0
280.62262	1.4
297.20718	45.7
297.24011	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	2.9
55.01872	8.2
55.05267	2.5
55.05513	29.3
57.03434	4.3
57.07064	4.1
59.05002	3.0
59.14515	1.4
65.03925	2.5
67.05508	85.1
69.03433	4.9
69.07069	66.5
70.49818	4.6
71.04995	14.1
71.61197	1.2
72.08139	1.5
72.23460	1.6
73.06541	2.8
79.05495	52.5
81.03415	4.7
81.07058	99.7
83.04977	13.9
83.08624	18.8
83.96435	1.5
84.08146	1.7
85.02923	2.6
85.06544	17.6
87.04475	1.7
91.05489	36.5
93.07049	82.8
94.06578	3.0
95.04977	8.3
95.08611	82.0
97.06532	17.4
97.10162	17.1
99.08111	12.9
101.06009	2.2
105.07040	24.7
107.08598	43.7
109.06546	8.1
109.10161	33.2
111.04446	1.6
111.08073	6.8
111.11717	3.5
113.06004	2.3
113.09644	1.7
115.07559	2.6
117.07018	8.1
119.08581	21.5
121.06477	2.5
121.10143	79.1
123.04425	1.9
123.08069	10.2
123.11721	11.0
123.31360	1.9
125.09634	19.9
127.03912	3.2
129.06999	6.2
131.08545	12.9
132.69684	1.6
133.10144	20.4
135.08061	4.0
135.11691	48.7
137.05930	1.5
137.09639	7.1
137.13278	2.5
139.11176	13.7
142.98759	1.7
143.08580	5.3
145.10094	9.5
146.06004	4.8
147.08064	2.3
147.11703	17.4
149.09628	4.5
149.13249	17.8
151.07683	1.6
151.11192	5.6
157.10143	3.4
159.11717	8.2
161.09625	2.4
161.13242	10.0
163.11227	6.0
163.14816	5.0
164.07130	2.2
165.12837	4.3
167.10742	2.7
171.11688	9.7
173.13284	5.0
174.05446	1.6
175.11205	4.0
175.14850	5.3
177.12750	3.4
179.14294	1.8
181.12276	5.2
185.13298	6.6
187.13356	2.3
189.11221	4.2
189.12755	4.1
189.16397	1.7
191.14299	2.0
195.10060	1.7
195.13794	7.3
199.14885	2.4
201.14856	1.7
203.12746	8.7
207.13770	2.0
209.15390	3.0
213.16425	1.6
217.15939	1.7
221.11774	1.7
221.15414	2.6
231.21164	2.0
235.16875	3.6
241.19533	6.5
259.13110	2.0
259.20557	30.8
277.14590	3.3
277.21628	100.0
295.15698	7.9
295.19388	2.9
295.22720	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03951	6.4
55.01877	21.2
55.05273	3.2
55.05518	42.7
56.47514	2.0
56.96570	2.0
57.03435	3.9
57.07079	9.8
59.04990	2.3
65.03929	2.6
66.14438	2.2
67.05510	73.0
69.03430	8.2
69.07076	34.3
70.06586	2.6
71.04985	8.3
71.08638	29.8
71.15036	4.0
73.06553	3.5
74.02704	2.0
79.05070	3.6
79.05501	45.2
81.03428	12.3
81.06595	3.7
81.07064	66.5
83.04990	19.1
83.08617	28.6
84.08127	2.6
85.02923	2.3
85.06538	9.6
85.10188	5.2
86.09730	3.4
88.03983	2.9
91.05480	30.3
92.83838	2.1
93.07053	57.0
94.06552	3.3
95.04968	16.4
95.08068	3.4
95.08621	43.0
97.06538	13.4
97.10184	21.3
99.08105	24.5
105.07050	31.0
107.04946	5.1
107.08604	33.7
109.06514	7.9
109.10162	32.3
111.04478	3.2
111.08099	20.4
111.11716	2.4
113.09645	9.2
116.80917	1.8
117.07042	7.6
119.08604	22.1
119.09393	3.0
121.06499	5.1
121.10152	23.1
123.04511	2.3
123.08070	11.5
123.11726	9.0
125.06007	2.2
125.09637	15.5
127.11174	2.9
129.07027	5.0
131.08618	10.4
133.10156	17.0
135.08058	6.3
135.11703	16.4
137.09608	12.2
137.13275	2.9
139.07518	3.8
139.11166	9.6
143.08556	5.2
145.06364	2.3
145.10135	6.5
146.06020	6.2
147.08037	2.4
147.11693	18.9
149.02367	13.2
149.09630	9.2
149.13272	12.6
151.11195	25.8
153.09143	2.5
153.12740	2.4
157.10112	7.5
159.11729	5.9
161.09677	5.2
161.13318	14.3
163.11186	10.9
163.14851	3.7
165.12738	15.8
167.14247	2.9
171.11668	5.6
173.13271	6.0
174.04054	2.3
175.11270	4.1
175.14816	6.0
177.12737	3.9
179.14288	10.5
181.12209	4.3
184.07365	2.4
185.13289	4.8
189.11218	12.5
189.12717	3.5
193.12213	3.3
199.14723	2.6
207.13905	3.3
221.15346	3.6
231.20981	4.9
241.19510	6.7
249.22194	6.8
259.20563	16.3
277.18457	3.5
277.21634	100.0
285.11612	2.2
295.16177	2.5
295.19385	5.7
295.22684	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03936	4.1
55.01880	21.2
55.05518	34.0
57.03431	2.4
57.07078	8.7
57.42734	1.2
65.02264	1.0
65.03940	2.3
67.05510	36.6
69.03440	1.5
69.06731	2.0
69.07077	23.0
71.05000	4.3
71.08633	2.5
71.09934	1.2
71.10259	1.5
79.05494	21.4
81.03419	15.0
81.07063	39.4
83.04998	8.9
83.08627	35.3
85.02911	1.8
85.06551	2.6
85.10183	12.4
91.05491	21.6
93.06483	2.1
93.07053	27.5
95.04987	14.9
95.08067	1.9
95.08624	26.7
97.06535	15.0
97.10176	6.8
98.21072	1.3
98.23376	1.1
99.08103	1.5
105.07033	19.9
107.04950	2.7
107.08604	17.8
109.06520	8.6
109.10173	10.2
111.08096	12.3
113.09636	8.5
117.06973	1.3
119.08588	13.4
121.10150	16.3
123.08057	3.3
123.11716	7.0
125.09655	5.1
129.07043	3.7
131.08556	6.3
133.10132	13.5
135.08051	2.3
135.11711	7.7
137.09634	2.1
137.13354	1.2
139.11186	3.0
143.08591	2.5
145.10136	4.5
147.08139	1.5
147.11671	15.6
149.09663	4.9
149.13264	8.0
151.11174	8.5
157.10182	4.3
159.11745	3.1
161.09668	2.8
161.13280	4.6
163.11232	3.3
163.14888	1.8
165.12776	24.6
171.11682	1.4
173.13298	2.1
175.11205	3.3
175.14883	3.2
179.14256	2.0
181.12260	1.4
185.13297	2.1
187.14867	1.6
193.08405	1.2
193.12251	2.6
196.36052	1.2
207.13855	3.4
219.11760	1.3
221.15454	1.8
231.21207	2.1
231.42818	1.3
241.19635	4.3
249.22220	2.7
259.20584	7.3
274.25302	1.2
277.21658	75.8
295.22766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03944	3.7
55.01634	3.5
55.01875	50.8
55.05261	3.5
55.05511	35.6
57.03431	5.0
57.07066	8.2
67.05507	41.0
69.03401	2.4
69.07070	22.3
71.04990	4.1
71.08630	17.9
79.05492	29.4
81.03420	6.9
81.07058	54.1
83.04988	12.0
83.08625	22.0
85.06543	5.2
85.10188	12.5
87.15864	1.9
87.74458	2.2
90.23569	2.3
91.05482	29.4
93.07046	33.9
95.04960	12.7
95.08605	35.7
96.63620	1.9
97.06116	1.6
97.06543	16.8
97.10157	7.3
98.06695	1.9
98.20791	4.5
98.83904	2.6
99.08092	13.0
105.07024	21.4
107.04955	3.6
107.08598	22.7
109.06507	9.3
109.10159	19.7
111.08086	61.7
113.09629	15.3
117.07026	4.3
119.08585	12.5
121.06499	2.4
121.10154	17.6
123.08082	6.3
123.11700	5.3
125.09640	3.8
129.06993	5.2
131.08580	6.7
133.10123	22.9
135.11696	10.7
137.09573	3.0
137.13254	2.3
139.11163	7.8
143.08516	4.1
145.10121	3.0
147.11676	15.3
149.09612	5.5
149.13237	9.2
151.11171	19.2
157.10118	5.9
159.11693	4.3
161.13199	7.7
163.11160	6.3
163.14909	2.5
165.12749	22.8
171.11687	4.8
173.13313	3.1
175.11119	4.4
175.14737	4.4
179.14346	10.0
185.13271	2.8
189.12793	2.8
193.12245	3.2
195.10132	2.2
199.14900	2.6
207.13908	2.4
221.15416	5.4
231.20993	3.2
241.19490	5.3
249.22153	4.9
259.20584	10.4
277.21634	100.0
295.22748	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.45250	1.4
53.03736	1.4
53.03947	12.6
54.11307	1.1
55.01872	3.9
55.05511	21.6
57.03422	2.7
57.07061	6.1
57.94867	1.1
59.04994	2.1
67.05508	36.2
69.03401	2.2
69.07070	37.0
71.04980	1.6
71.08620	2.1
73.16869	1.5
74.93943	1.1
75.91586	1.1
79.05072	2.3
79.05496	29.6
81.03423	48.2
81.06599	2.1
81.07059	36.5
83.04984	15.5
83.08612	10.5
85.06549	2.8
91.05483	16.6
93.06491	2.1
93.07046	33.0
95.04974	33.3
95.08617	17.6
97.06533	3.6
97.10159	5.3
99.08073	1.6
103.05494	1.3
105.07033	23.1
107.08602	25.7
109.06525	6.9
109.10144	12.7
111.08030	1.8
113.09609	1.8
117.07013	3.8
119.08592	11.0
121.06495	1.7
121.10146	11.1
123.08067	3.5
123.11719	3.7
125.09618	7.2
129.07024	2.4
131.08556	4.1
133.10130	14.2
135.08066	4.8
135.11684	10.5
137.05992	1.8
137.09608	2.4
137.13252	1.8
143.08551	4.4
145.10089	4.1
147.11668	13.2
149.09628	2.4
149.13251	7.8
151.11192	27.2
153.09087	2.1
157.10091	3.8
159.11729	2.4
161.13261	15.6
163.14819	5.8
165.12743	4.5
169.10152	2.4
170.56696	1.4
171.10281	1.4
171.11710	4.6
173.13234	4.4
173.79529	1.2
175.11191	2.6
175.14774	3.1
177.12709	2.4
179.14270	5.0
181.12149	1.3
185.13210	5.5
189.11223	2.2
189.12764	2.2
193.12363	1.8
199.14722	3.8
207.13786	4.5
221.15433	2.9
231.20947	6.6
235.14719	1.8
241.19624	10.3
249.22105	2.5
259.20547	6.5
277.21637	100.0
278.21970	6.1
295.17380	2.1
295.20511	5.9
295.23026	3.2
304.73657	1.4
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	13-OxoODE
Peak:m/z	Relative Intensity
53.03946	11.5
55.01863	6.1
55.05511	26.7
57.03445	2.4
57.07076	9.4
65.03957	2.0
67.05510	46.9
68.90307	1.2
69.03417	2.3
69.07069	33.2
69.63895	1.3
71.04981	3.3
71.08632	4.0
71.51962	1.4
73.06586	1.2
76.31776	1.2
79.05080	2.0
79.05502	31.1
81.03423	57.9
81.06596	2.6
81.07060	46.3
83.04985	14.3
83.08624	9.4
85.06556	3.2
85.10182	12.9
91.05481	20.9
92.99660	1.3
93.07052	33.3
95.04975	34.0
95.08613	19.3
97.06520	3.8
97.10155	7.6
99.08087	3.4
105.07030	20.7
107.04959	5.3
107.08599	22.7
109.06538	10.1
109.10175	14.0
111.08069	4.1
113.09648	12.6
117.07016	2.7
119.08584	11.5
121.06494	2.6
121.10159	12.2
123.08052	3.8
123.11718	6.4
125.09647	7.6
129.07005	4.0
131.08557	6.0
133.06447	1.6
133.10139	13.0
135.08009	3.5
135.11702	7.9
137.09541	2.8
137.13243	2.6
142.07730	1.5
142.23273	1.7
143.08557	2.8
145.10117	3.2
147.08052	3.3
147.11673	13.0
149.09645	4.1
149.13251	7.1
151.11192	36.6
153.09093	3.5
157.10141	4.5
159.08015	2.1
159.11700	2.4
159.59290	1.5
161.13264	10.3
163.11235	4.3
163.14821	4.2
165.09097	1.7
165.12762	18.0
169.10078	2.1
171.11714	6.5
175.11162	3.0
175.14862	6.3
179.10684	2.1
179.14296	5.5
189.12793	2.3
193.12215	4.6
199.14854	2.5
207.13812	5.0
217.19560	2.6
221.15359	2.8
231.21101	9.8
241.19614	6.2
249.22133	3.7
259.20609	8.3
275.26022	1.5
277.21649	100.0
278.22083	2.0
280.13864	1.3
295.17020	4.2
295.22934	30.1
311.08566	1.4
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	13-OxoODE
Peak:m/z	Relative Intensity
53.03933	4.1
55.01872	6.5
55.05273	1.7
55.05514	20.0
57.03420	3.9
57.07065	4.5
65.03954	2.0
66.15288	1.2
67.05510	47.3
69.03427	1.9
69.07070	18.7
69.27954	4.9
69.28387	6.1
71.04977	3.7
71.08639	42.0
77.03931	1.6
79.05499	38.6
81.03426	7.2
81.06596	2.4
81.07062	49.1
83.04971	10.2
83.08627	9.9
85.02898	2.1
85.06542	2.5
91.05485	26.7
93.07051	57.5
95.04985	12.7
95.08614	37.5
97.06537	8.9
97.10156	4.6
98.20731	2.1
99.07510	2.2
99.08105	28.1
105.07040	18.8
107.04933	4.8
107.07892	1.7
107.08603	29.7
109.06516	3.4
109.10175	14.9
111.08079	4.5
113.09662	2.2
116.06207	1.3
117.07018	3.0
119.08583	18.2
121.06460	1.6
121.10155	27.3
123.08076	2.7
123.11691	2.7
129.06975	2.2
131.08589	6.3
133.06454	1.3
133.10147	10.6
135.11708	37.3
137.09631	3.8
139.11276	2.4
141.09059	4.4
143.08554	3.5
145.10110	6.0
147.11736	6.1
147.84813	1.2
149.13295	11.1
151.11185	15.7
153.12791	3.1
157.10136	3.0
159.11710	2.7
161.09550	1.5
161.13281	9.4
163.11142	4.6
163.14864	1.9
165.12767	4.0
167.10677	2.8
171.11674	2.5
173.13280	2.7
175.66768	1.4
177.12730	3.7
179.14326	100.0
185.13231	2.3
189.12642	2.4
195.13831	1.6
207.13914	1.3
217.19478	1.4
221.15337	2.8
233.22609	1.4
235.16930	3.6
241.19568	2.2
245.28723	1.3
259.20605	4.5
277.21643	55.9
295.17270	1.7
295.19992	2.5
295.22726	5.0
295.31180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.99489	0.8
51.73233	0.8
53.03936	1.8
55.01860	1.3
55.05517	12.5
57.03428	1.3
57.07077	4.3
67.05510	22.9
69.03419	1.0
69.07078	18.6
69.25982	3.5
69.26418	4.0
71.04999	2.3
77.45998	0.8
79.05500	16.6
81.07060	28.4
83.04988	3.7
83.08633	7.8
85.06546	3.1
91.05487	11.4
93.07050	29.1
95.04976	2.9
95.08616	25.0
97.06544	8.2
97.10194	5.2
102.23486	1.0
105.07037	12.1
107.08601	21.5
109.06537	5.0
109.10167	10.0
109.57561	0.9
111.08125	1.8
111.11749	1.1
117.07017	4.0
119.08572	11.5
121.06524	2.1
121.10155	14.7
123.08093	3.6
123.11703	3.0
125.09646	1.6
129.07042	2.6
131.08574	7.2
133.10146	8.0
135.08105	2.0
135.11699	19.7
137.09634	1.5
139.11192	1.1
143.08569	3.5
145.10161	5.0
147.08038	1.5
147.11688	7.7
149.09666	1.2
149.13284	9.5
151.11200	2.9
157.10205	1.7
159.11758	4.3
161.13261	4.1
163.11197	3.4
163.14815	2.6
165.12762	1.3
171.11702	2.6
173.13281	3.7
175.14854	3.2
177.12775	1.7
179.14340	1.4
181.12209	1.3
185.13324	3.8
187.14914	1.2
193.15945	2.6
195.13852	1.3
196.17780	0.9
199.14876	1.8
203.14362	2.6
207.13844	4.8
209.15305	1.2
221.15363	6.6
229.69997	0.8
231.17474	1.1
231.21120	1.6
235.16919	1.1
239.16489	1.7
241.19568	6.5
249.22139	1.7
259.20615	20.1
277.21649	100.0
278.57660	0.9
295.22824	16.6
311.55963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03940	5.1
55.01865	6.5
55.05513	25.3
57.03429	3.7
57.07080	27.2
58.37264	1.8
64.00351	1.6
67.05512	35.4
69.03417	1.8
69.07072	23.9
71.04993	4.7
71.08631	4.6
76.42595	1.5
79.05498	25.0
81.03427	17.0
81.07063	37.4
83.04977	13.8
83.08629	11.6
85.06562	2.7
85.10191	58.1
91.05491	28.2
93.07050	23.3
95.04984	17.6
95.08614	31.4
97.06537	6.8
97.10174	7.3
99.08086	2.7
105.07042	25.0
107.04968	16.5
107.08607	19.4
109.06541	3.7
109.10186	15.7
111.08094	5.2
113.09650	78.0
117.07018	4.4
119.08586	14.5
121.06499	2.0
121.10162	8.8
123.08088	5.9
123.11736	5.8
125.09655	4.2
129.07016	4.7
131.08598	7.4
133.10120	14.9
135.08076	3.1
135.11702	7.0
137.09702	2.4
142.07770	3.0
143.08554	4.6
145.10144	4.8
147.08067	2.4
147.11694	12.7
149.09637	14.2
149.13251	4.5
151.11203	12.9
153.12830	3.8
155.08710	1.9
157.10135	5.5
159.11682	2.9
161.09596	4.3
161.13255	5.5
163.11166	11.9
165.12766	55.3
167.10690	4.2
171.11708	4.8
173.13304	2.3
175.11223	7.1
175.14851	4.2
175.53958	1.8
179.14479	3.8
181.12289	2.4
185.13246	2.7
189.12665	2.2
199.22775	1.8
204.31468	1.6
207.13791	1.7
209.13315	3.3
231.21094	3.7
241.19434	4.6
249.22205	2.6
259.20630	9.9
277.21643	77.9
295.17184	3.9
295.22745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	5.4
55.01876	14.0
55.05515	85.2
57.03433	2.7
67.05510	47.4
68.31458	1.7
69.03432	1.7
69.07072	21.5
70.57581	1.6
70.57896	3.6
71.04980	4.3
79.05073	1.8
79.05499	21.6
81.03401	6.8
81.07061	42.5
83.04980	9.3
83.08622	100.0
84.55068	1.5
85.06537	3.8
90.05209	1.4
91.05481	35.9
93.06493	1.9
93.07053	28.5
93.79955	1.5
95.04953	8.9
95.08611	22.2
97.06542	10.7
97.10146	2.8
98.21439	1.4
99.08068	3.7
103.94480	1.8
105.07034	23.1
107.04964	2.9
107.08600	15.7
109.06532	7.4
109.07175	1.9
109.10164	10.0
111.08089	27.9
113.06006	1.9
115.48823	1.4
117.07035	3.6
119.08587	17.1
121.10162	13.4
123.08062	2.0
123.11715	3.4
125.09654	2.0
128.34647	1.7
129.07036	8.6
129.09109	6.1
131.08580	7.1
133.10144	34.6
135.11702	6.5
137.13298	2.2
139.11172	15.5
145.10120	4.2
146.32277	1.6
147.11685	26.2
149.09564	7.6
149.13260	27.6
151.11163	11.6
157.10143	10.6
159.11723	2.8
161.13258	5.7
163.14713	2.7
165.12775	17.5
167.14284	6.1
171.11688	3.7
172.87965	1.4
173.13284	2.7
175.11180	10.6
175.14874	3.9
177.12761	1.5
179.14261	4.8
181.11964	1.5
185.13252	3.5
193.12273	3.5
199.40086	1.7
221.15373	3.6
231.21040	2.0
241.19536	8.0
249.22174	2.3
259.20605	13.1
265.18076	1.5
277.21643	58.5
295.22760	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	295.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03946	6.6
55.01872	4.2
55.05505	9.2
60.02142	1.6
61.29860	1.7
63.02584	1.8
65.03946	3.6
66.32106	1.7
67.05510	21.4
69.07069	18.4
70.64778	4.1
70.65120	2.2
79.05499	31.7
81.07061	42.6
82.11652	1.9
83.04989	4.3
83.08627	5.0
91.05484	34.4
93.06480	4.1
93.07049	54.4
95.04964	28.0
95.08619	30.3
97.06523	14.8
97.10156	1.8
98.45831	2.0
103.05511	4.3
105.07035	58.5
107.08601	23.6
109.06567	8.8
109.10171	12.2
115.05439	2.4
117.07021	11.9
119.08588	60.8
121.06517	13.0
121.10149	23.1
123.08071	3.6
123.11683	3.1
128.06212	4.6
129.07021	10.9
130.07782	4.6
131.08580	31.4
133.10138	100.0
135.08072	4.5
135.11665	6.1
141.07019	5.4
142.07785	17.5
143.08560	26.3
144.09337	8.4
145.06487	2.4
145.10124	35.6
147.08026	3.4
147.11705	11.0
149.09634	5.6
153.07010	2.0
155.08533	12.1
156.09331	19.6
157.10120	30.8
158.10921	25.5
159.11714	21.6
161.09634	3.3
161.13347	2.9
167.08615	3.7
169.10132	13.5
170.10936	7.7
171.11700	32.3
172.12523	2.1
173.09666	4.9
173.13280	83.3
175.11217	4.3
175.14932	9.3
179.08571	4.2
180.09398	2.7
181.10114	7.8
182.10944	6.3
183.11682	11.4
184.12502	3.1
185.13220	12.2
186.14056	3.4
187.14767	9.8
193.10187	5.7
194.10893	2.2
195.11739	8.2
196.12515	5.1
197.13286	15.1
199.14857	18.0
206.10867	4.4
207.11739	6.3
208.12486	2.8
209.13307	6.5
211.14809	16.8
212.15402	2.4
213.16426	2.9
215.14374	3.3
220.12451	2.4
221.13385	10.2
222.14006	3.5
223.14784	4.4
225.16205	2.9
235.14830	5.2
239.14337	4.5
247.14850	3.6
249.16486	1.9
251.17932	3.9
267.21136	6.4
277.19586	7.8
280.18289	2.3
295.20474	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01884	2.9
55.05516	13.7
57.03428	2.1
65.03951	2.4
67.05510	18.8
69.07085	10.3
69.65397	6.1
69.65810	6.0
69.75253	2.0
75.91154	2.0
78.27508	2.1
79.05499	28.5
81.07056	37.5
83.04972	3.7
83.08631	2.7
83.78311	2.0
91.05489	35.1
93.07051	52.8
95.04970	28.7
95.08617	28.7
97.06531	17.9
98.21536	2.4
103.05444	3.0
105.04525	2.9
105.07037	59.8
107.08589	27.7
109.06526	9.0
109.10142	11.1
115.05479	3.9
116.06247	3.9
117.07024	13.0
119.08580	66.0
121.06516	13.7
121.10159	22.0
123.08052	4.2
128.06279	3.0
129.06967	9.8
130.07800	3.2
131.08563	33.6
133.10141	100.0
135.08089	3.9
135.11693	8.7
141.06982	5.1
142.07822	12.5
143.08565	29.8
144.09352	7.6
145.06493	3.1
145.10136	44.6
147.08110	3.2
147.11656	9.8
149.09628	6.8
155.08540	8.2
156.09343	15.6
157.10139	33.3
158.10924	25.9
159.11707	24.6
161.09673	3.1
167.08551	3.6
168.09370	2.6
169.10118	18.1
170.10883	11.2
171.11708	36.7
172.12477	4.0
173.09714	3.2
173.13278	92.0
175.11201	4.1
175.14841	7.9
179.08585	3.9
180.09413	2.8
181.10098	7.5
182.10939	5.9
183.11691	12.2
184.12357	2.2
185.13229	10.8
186.14075	5.9
187.14777	10.8
193.10153	3.6
194.10956	4.9
195.11697	7.0
196.12447	5.8
197.13283	14.3
199.14862	21.9
206.10905	6.1
207.11691	6.0
209.13284	9.2
211.14833	21.8
213.16324	5.7
215.14337	2.2
220.12494	4.4
221.13351	10.0
223.14838	5.1
225.16508	2.6
227.14391	2.2
234.14014	2.7
235.14809	5.2
237.16431	3.1
239.14371	6.9
247.14877	4.3
251.17932	6.6
262.17068	3.3
267.21082	6.3
277.19492	6.1
295.20581	49.4
319.35266	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	295.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
54.49675	0.3
59.33942	0.3
60.04526	0.7
63.71498	0.4
68.99774	0.4
69.50416	0.7
69.50819	2.0
70.02954	7.5
71.01367	0.4
74.02438	2.7
86.02432	1.8
87.00819	1.8
88.03994	36.9
92.04996	1.2
94.06571	40.9
95.04982	0.5
98.02437	0.8
99.00816	5.5
104.03471	11.3
104.04978	2.8
112.03954	0.7
112.48540	0.3
116.03440	1.9
118.06557	2.1
120.04472	9.5
128.04947	0.6
130.05011	2.0
132.04454	5.6
136.07565	1.1
138.01945	0.6
146.06012	100.0
150.05504	2.9
156.02916	4.1
158.04489	1.7
163.08667	1.2
164.07112	0.5
174.03989	15.4
174.05524	40.3
184.02419	1.0
192.06569	7.1
202.03477	15.8
202.05371	0.8
209.09293	0.9
233.09134	0.9
277.08212	3.3
295.09262	3.6
302.64691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
53.03938	4.8
55.01859	4.2
55.05511	10.9
57.07065	1.8
59.23214	1.3
65.03937	2.4
67.05193	1.4
67.05512	18.0
67.97648	1.2
69.03418	2.0
69.07073	15.9
69.23567	9.5
69.23989	3.5
79.05080	2.5
79.05499	28.1
81.03389	2.0
81.07063	43.6
83.04985	4.4
83.08595	4.4
90.09901	1.2
91.05487	31.1
93.07049	52.1
95.04975	30.8
95.08610	28.3
95.74580	1.4
97.06528	16.6
98.20718	2.4
103.05489	2.1
105.04475	2.7
105.07036	53.6
107.04964	1.9
107.08603	22.0
109.06514	8.0
109.10167	16.7
111.08114	1.9
115.05408	3.8
117.07025	10.3
119.08588	53.1
121.06500	13.7
121.10155	23.5
123.08067	3.9
123.11696	2.6
128.06212	5.5
129.07019	11.4
130.07780	4.1
131.08578	28.1
133.10138	100.0
135.08067	4.3
135.11671	5.5
141.06979	5.2
142.07774	15.2
143.07501	2.4
143.08563	30.4
144.09349	9.7
145.09074	3.0
145.10135	39.4
147.08037	2.5
147.11696	9.0
149.09592	4.7
151.11147	1.5
154.07773	1.8
155.08559	11.7
156.09357	15.3
157.10130	39.6
158.10910	25.4
159.08052	2.5
159.11710	23.1
160.12399	2.7
161.09671	2.6
165.06992	3.2
167.08562	4.8
168.09334	3.4
169.10132	15.3
170.10919	9.8
171.11687	33.1
172.12531	3.3
173.09579	2.2
173.13269	79.0
175.11163	4.0
175.14790	8.3
179.08513	4.5
181.10143	8.0
182.10883	6.0
183.11705	13.1
184.12521	4.6
185.13283	10.1
186.14021	6.1
187.11234	2.0
187.14835	6.8
192.09302	2.4
193.10083	3.5
194.10945	3.2
195.11667	8.4
196.12532	6.7
197.13239	13.9
198.13988	1.7
199.14827	20.7
205.10092	2.9
206.10912	6.7
207.11710	6.1
208.12442	2.0
209.13315	10.2
211.14832	16.9
212.15593	3.3
213.16330	1.7
215.14244	3.0
219.11511	1.9
220.12416	3.9
221.13304	10.8
222.14035	1.9
223.14772	4.2
225.16342	3.4
233.13123	2.0
234.13937	2.1
235.14932	6.3
237.16290	3.0
239.14355	5.2
239.17932	2.1
247.14818	3.0
251.17885	4.0
262.17136	3.9
265.16064	1.7
265.19250	2.3
266.20151	1.7
267.21011	4.9
277.19382	6.6
295.20526	45.9
295.23813	2.3
305.70166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
56.05847	0.2
57.07070	0.7
67.05509	1.5
68.05821	0.3
69.07051	0.5
69.95161	1.1
71.08629	0.4
73.66034	0.3
74.84483	0.2
79.05498	1.1
81.03401	0.2
81.07069	2.7
82.07365	0.3
83.08620	0.4
91.05485	0.8
93.06989	0.5
94.04199	1.6
95.04973	1.7
95.08608	0.5
96.05304	0.9
97.10146	0.5
100.07600	0.2
107.08578	0.5
108.08879	0.3
109.06494	0.7
109.10169	0.4
119.08627	0.4
122.03660	5.8
122.10516	0.3
123.11694	1.6
125.09637	0.4
133.10077	0.4
136.12080	0.4
137.05984	100.0
138.06305	0.3
149.09636	0.5
150.09941	0.5
158.15454	1.0
158.94397	0.2
163.11214	0.3
164.11517	0.4
170.15395	2.1
211.83864	0.3
223.13335	0.6
224.13663	1.0
238.11351	0.3
258.19443	0.3
276.20374	2.0
277.21579	0.3
294.21454	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	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01882	0.3
55.05509	0.5
57.07066	1.1
65.03926	0.3
66.04724	0.3
67.05495	1.0
69.07065	0.4
70.02488	1.0
70.07379	0.2
70.81376	0.2
71.08621	0.8
79.05503	0.6
81.07065	1.2
83.08588	0.3
85.06520	0.4
91.05472	0.9
93.07039	0.4
94.04193	2.0
95.04973	0.5
95.08595	0.4
96.38517	0.2
105.07025	0.4
107.08555	0.4
109.06499	0.5
109.10159	2.8
110.10497	1.9
118.07350	0.2
119.08584	0.8
120.08921	0.9
121.10114	0.4
122.03653	6.3
123.07981	0.2
123.11683	0.3
127.11190	0.5
133.10139	0.4
136.08412	0.2
137.05981	100.0
138.06334	0.4
141.12735	2.7
146.10451	0.3
149.09644	0.3
150.09996	0.3
158.15404	1.2
159.11691	0.3
160.12061	0.7
170.15401	0.8
196.47832	0.2
258.19379	0.3
276.20422	1.0
294.21155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.13469	1.2
55.05506	9.9
56.78262	1.5
57.07051	4.2
65.03946	1.6
67.05510	96.3
69.07072	10.1
69.45772	7.6
69.46188	3.0
72.44205	1.3
73.22072	1.4
79.05502	12.4
81.07062	100.0
83.08615	5.7
85.23305	1.5
91.05485	5.0
91.78636	1.5
93.07048	10.9
95.04980	2.0
95.08614	68.0
97.10161	2.6
101.05965	1.7
105.07027	4.9
107.08590	9.6
109.06448	3.1
109.10166	38.4
119.08571	4.4
121.10191	7.3
123.08048	3.1
123.11720	24.9
125.09645	2.0
131.08549	4.1
133.10120	4.6
135.11682	6.3
137.13290	11.1
145.10072	4.3
147.11665	3.1
149.09619	2.9
149.13243	4.3
149.41704	1.6
151.11197	3.6
151.14818	3.0
159.11665	4.2
161.13269	2.5
163.14882	1.9
173.13295	3.9
177.12697	2.4
187.14870	3.2
209.11682	2.1
237.11278	6.8
243.21120	6.7
261.22122	8.5
275.20078	1.9
293.21658	1.9
293.24765	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	294.0034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67936	2.9
55.01870	3.2
55.93269	4.0
55.93529	53.4
56.94299	4.7
68.02637	10.9
69.03426	11.4
70.82559	6.7
70.82883	2.9
70.95863	3.7
71.92677	3.7
71.93010	31.5
72.93794	55.3
73.94564	8.9
74.95339	9.4
81.03439	3.3
84.08149	3.2
85.02918	18.8
87.96112	2.7
89.94048	21.0
90.93965	3.2
90.94824	43.0
97.02894	9.7
102.94787	7.9
105.93502	11.0
107.95080	11.8
108.95874	3.1
114.94758	3.3
115.95632	4.5
118.94292	9.5
120.08099	5.5
125.96124	3.1
126.94773	5.2
127.03938	6.2
128.96338	10.0
131.95070	48.0
132.95842	55.9
133.96635	7.9
135.94635	3.9
142.94275	5.4
143.95053	5.9
144.95840	65.3
145.96620	3.2
149.96123	38.6
150.05486	8.9
150.96884	20.5
151.97693	6.3
154.05344	2.8
156.95818	3.4
157.96574	16.3
158.97438	14.2
159.94540	5.5
161.96146	14.9
162.96927	27.1
163.97772	4.8
165.95615	3.9
167.97250	5.9
168.95819	7.2
169.96613	11.3
170.97334	4.8
171.94545	11.7
173.96089	39.8
174.96925	7.3
175.97749	18.2
176.26357	2.9
176.98430	3.0
177.95615	6.0
181.96706	3.4
185.96103	49.3
186.96925	33.9
187.97675	15.3
188.98480	5.4
189.95535	6.1
191.97186	54.1
197.96120	65.2
198.96902	9.4
199.97705	28.1
201.95547	5.8
203.97147	35.9
209.96245	6.5
210.96922	10.7
215.97182	85.6
216.97929	4.0
217.98692	13.2
227.97159	19.6
228.97987	39.6
230.02130	13.1
231.96658	5.7
233.98222	25.0
234.98930	3.8
239.97316	6.9
245.98204	19.3
246.98924	4.1
257.98239	100.0
262.04886	4.1
275.99313	66.4
294.00366	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.34898	1.0
53.03938	2.3
55.01878	4.9
55.05512	18.0
55.29702	0.9
57.03461	0.8
57.07076	4.7
62.31918	0.9
65.03939	1.2
67.05176	1.6
67.05507	17.1
69.03467	1.3
69.07070	8.3
69.99864	0.8
71.04993	1.8
71.08616	1.8
76.43482	0.9
78.40724	0.9
79.05069	1.4
79.05499	15.9
81.03419	8.1
81.07056	20.8
83.04995	5.5
83.08630	12.3
85.02910	2.7
85.06541	2.1
91.05486	10.1
93.07048	13.5
95.04972	100.0
95.08605	9.7
97.06544	2.9
97.10176	5.8
99.08121	2.2
103.05522	1.2
105.07032	9.2
107.04946	7.6
107.08608	11.6
109.06518	5.8
109.10168	4.4
111.04465	1.3
111.08073	5.0
117.07083	5.1
118.96864	1.0
119.08591	8.1
121.06493	5.2
121.10123	5.6
121.87357	1.3
123.08071	4.2
123.11720	1.1
125.09643	6.3
129.07013	1.4
131.08569	5.2
133.10104	5.8
135.08054	3.9
135.11668	4.8
137.09631	2.5
143.08562	2.4
145.10121	10.9
147.08049	5.6
147.11742	2.9
149.09618	15.6
149.13326	1.2
151.11192	12.1
157.10114	2.2
159.08194	1.0
159.11720	5.0
161.09660	1.6
161.13318	1.0
163.11185	20.5
165.12756	3.2
169.10146	2.1
173.11806	1.1
173.13358	1.2
177.12758	3.6
187.11247	3.6
189.11247	2.7
191.10727	1.3
193.12180	1.4
195.11676	1.2
197.13228	1.3
205.12238	4.9
208.37671	1.0
209.11754	1.5
211.13350	1.5
223.13287	37.3
229.19496	1.6
237.11342	3.0
237.14827	1.5
243.33534	1.0
247.20680	2.1
257.19061	2.6
275.20102	24.2
293.21173	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03957	1.4
55.01876	5.4
55.05516	19.1
57.03436	1.7
57.07074	1.2
65.03942	1.3
67.05508	20.2
69.03435	1.6
69.07072	8.3
69.95445	1.0
69.95801	2.7
71.04994	2.7
75.48498	0.5
79.05501	18.8
81.03425	5.4
81.07063	29.5
83.05000	3.3
83.08628	10.5
85.02901	2.9
85.06548	1.8
91.05489	11.3
93.07053	13.4
95.04975	100.0
95.08610	15.3
96.82932	0.6
97.06518	2.5
97.10165	5.9
99.08103	1.3
105.07039	10.9
107.04959	9.1
107.08603	12.9
109.06527	10.3
109.10172	8.4
111.04458	0.6
111.08100	3.9
117.07039	5.3
119.08603	10.7
121.06502	4.6
121.10145	6.0
123.08066	6.1
123.11713	2.4
125.09644	5.8
129.06995	1.5
131.08580	6.8
133.10121	5.8
135.08099	3.6
135.11690	4.6
136.68031	0.6
137.09628	2.2
137.13268	1.2
141.06982	1.2
141.09125	0.6
143.08563	1.4
145.06548	0.8
145.10135	9.5
147.08052	4.2
147.11708	5.2
149.09628	18.4
149.13264	1.0
151.11234	1.4
153.09109	1.0
155.10638	0.6
157.10152	1.3
159.11713	5.4
161.09685	1.6
161.13252	1.4
163.11197	22.2
165.12706	3.2
169.10143	1.9
171.11707	0.9
173.09843	0.6
173.11909	0.6
173.13348	1.9
177.09163	0.6
177.12831	3.2
177.16374	0.6
181.12196	0.7
183.11751	0.8
187.11153	3.3
189.11273	2.3
191.14305	0.8
193.12230	1.8
195.13802	0.6
205.12216	4.7
211.13248	1.0
219.13971	0.7
223.13304	35.4
229.19589	1.4
237.14893	1.9
239.17966	0.8
243.21098	0.8
247.20593	1.4
257.19095	3.5
275.20099	29.1
293.21155	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.91660	1.7
53.03935	3.5
54.36794	1.6
55.01864	5.5
55.05509	18.0
57.07066	3.9
65.03941	1.7
67.05509	98.9
69.03445	1.8
69.07076	14.8
71.04995	1.5
71.08635	1.9
74.20557	1.5
79.05495	27.3
81.07060	100.0
83.04974	5.4
83.08616	12.9
85.06550	4.4
88.55328	1.5
88.76081	1.5
91.05488	22.4
93.07044	31.8
95.04958	9.6
95.08613	91.9
97.06516	8.3
97.10180	7.8
105.07029	20.3
107.04948	4.2
107.08604	24.2
109.06506	8.1
109.10162	40.9
111.08083	3.0
117.07017	10.5
119.08588	26.2
121.06502	3.8
121.10174	19.9
123.08070	5.7
123.11700	18.1
125.09631	4.5
129.07007	3.1
131.08577	16.8
133.10124	17.2
135.08084	6.3
135.11699	12.4
137.09656	7.4
137.13232	9.2
143.08562	2.7
145.10123	15.3
147.08057	1.6
147.11664	11.3
149.09619	20.8
149.13277	7.1
151.11205	5.8
151.14789	3.8
155.08650	2.4
157.10107	2.4
159.11696	12.0
161.09712	2.3
161.13252	5.1
163.11194	17.2
163.14842	3.1
165.12762	6.5
169.10123	4.9
171.11743	3.0
173.13260	10.9
175.11208	1.8
175.14862	2.7
176.77989	1.6
177.12753	7.1
179.14384	3.0
184.97450	1.7
187.11218	1.6
187.14809	3.9
191.14308	3.3
197.13220	2.9
209.15469	1.5
215.14378	2.8
215.18007	2.2
229.19563	4.5
229.28372	2.2
237.11200	2.0
239.18005	15.7
243.21030	8.7
247.20711	2.6
257.19009	19.9
261.22165	6.0
275.20074	96.8
293.21179	15.1
293.24780	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03951	5.9
55.01869	5.5
55.05512	14.6
57.03436	2.7
57.07069	1.2
65.03159	1.1
65.03935	2.4
65.47485	1.1
67.05511	28.7
69.07072	12.4
70.14731	5.2
71.04996	2.1
73.03322	1.1
78.39019	1.1
79.05499	32.6
79.05965	1.6
81.03431	6.6
81.07060	100.0
83.04992	6.0
83.08626	10.8
85.06542	2.0
91.05482	19.0
93.07055	18.6
95.04980	13.9
95.08617	18.9
97.06535	5.3
97.10178	2.0
98.20825	1.6
99.08127	1.2
101.17126	1.1
105.07032	23.9
106.81875	1.3
107.04942	7.6
107.08602	13.4
109.06520	40.0
109.10162	8.9
111.08051	3.6
117.07016	6.9
119.08585	20.7
121.06512	4.5
121.10147	9.3
123.08091	5.8
123.11699	4.4
125.09666	2.4
129.07031	1.4
131.08543	7.4
133.10146	16.9
135.08070	4.7
135.11696	6.7
137.09596	3.7
145.06514	1.7
145.10114	8.1
147.08057	1.3
147.11693	14.7
149.09642	7.3
149.13271	5.0
151.11198	2.9
155.08595	1.9
157.10109	3.5
159.11719	6.7
161.09608	1.4
161.13283	3.8
163.11198	8.4
163.14809	3.2
165.12767	5.1
171.11641	1.6
173.09622	1.9
173.13286	2.8
175.11224	4.0
177.12804	2.0
185.13213	1.6
187.14830	2.0
193.12242	3.8
197.13173	1.4
201.12689	1.5
223.13359	2.0
229.19511	2.6
239.18037	2.8
247.20590	5.3
257.19110	7.4
275.20081	58.5
293.21140	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.27264	1.0
53.03938	3.1
55.01879	5.7
55.05509	16.7
55.23816	0.9
57.03424	3.5
57.07057	1.3
59.04996	1.1
65.03944	2.8
66.87711	0.9
67.05506	29.9
69.03425	2.6
69.07070	14.4
70.46558	1.7
70.46894	1.3
71.04987	3.5
79.05495	35.3
81.03432	4.5
81.04781	0.9
81.07057	100.0
82.36320	0.9
83.04975	5.6
83.08622	9.4
85.06548	3.6
87.04471	1.2
91.05484	23.0
93.07043	21.2
95.04969	28.9
95.08604	18.8
97.06530	7.6
97.10144	4.9
99.08094	2.4
105.07033	23.2
107.04947	5.8
107.08603	17.2
109.06519	45.4
109.10162	10.4
111.04499	1.4
111.08097	3.7
113.05933	0.9
113.09633	2.6
115.05429	1.0
117.07031	7.4
119.08585	25.8
121.06519	3.4
121.10133	9.3
123.08067	11.6
123.11700	1.7
125.09664	5.7
126.28605	1.1
127.07571	0.9
129.07013	3.3
130.42343	0.9
131.08580	10.8
133.10135	20.9
133.11107	1.4
135.08047	6.0
135.11685	6.1
137.09619	6.0
141.06967	1.5
143.08604	2.3
145.10129	11.6
147.08076	2.2
147.11696	17.2
149.09630	18.6
149.13261	4.3
151.11226	7.2
155.08601	1.2
157.10098	5.3
159.02240	1.1
159.11688	7.6
161.09636	3.2
161.13287	3.2
163.11191	6.9
165.12720	5.4
169.10136	1.8
171.11613	1.8
173.09605	1.2
173.13255	3.6
175.11192	9.1
175.14815	1.4
177.12767	3.2
179.54355	1.0
183.11681	1.8
185.13234	1.5
187.11275	1.3
187.14775	1.9
189.11234	2.6
189.12759	1.5
191.14380	1.1
193.12245	6.4
197.13394	1.6
201.12872	1.2
205.12175	1.5
207.13789	1.7
211.13306	1.0
214.48354	0.9
215.14381	1.2
219.13942	2.0
219.17357	1.0
223.13298	5.5
229.19476	2.8
237.14980	1.4
239.17992	4.4
240.42177	1.0
247.20645	2.5
257.19058	9.9
275.20065	68.0
293.21127	58.3
294.21344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.77796	0.9
53.03948	4.3
55.01876	8.8
55.05511	20.8
57.03435	1.7
57.07055	1.8
58.07782	0.9
65.03938	1.6
67.05508	34.3
69.03412	1.4
69.07071	18.4
71.04980	2.6
71.25386	1.4
79.05498	33.8
81.03419	6.8
81.07057	54.0
83.04993	7.3
83.08620	12.2
85.06541	2.2
91.04919	0.9
91.05483	27.3
93.07045	30.2
94.81219	0.8
95.04974	11.4
95.08609	23.6
97.06538	13.8
97.10165	9.0
99.08121	2.0
105.04514	1.2
105.07033	29.7
107.04958	7.4
107.08598	39.2
109.06522	13.5
109.10158	14.8
111.08073	3.5
117.07021	7.9
119.08581	27.1
121.06499	3.4
121.10149	13.8
123.08065	6.7
123.11712	5.2
125.09650	10.4
127.64933	0.9
129.07018	3.3
131.08569	12.1
133.06526	1.5
133.10138	19.6
135.08038	5.9
135.11694	7.6
136.94049	0.8
137.09598	5.0
139.11197	2.2
140.50369	0.9
141.07002	1.2
143.08530	2.9
143.36624	1.0
145.06500	1.1
145.10112	14.2
147.08084	2.6
147.11699	15.6
149.02380	1.9
149.09627	11.9
149.13274	2.7
151.11183	6.4
155.08620	1.6
157.10104	3.0
159.08047	1.3
159.11723	8.0
161.09581	2.4
161.13257	5.1
163.11198	10.0
163.14784	2.0
165.09071	3.8
165.12772	3.3
169.10132	2.9
171.10254	1.7
171.11699	2.9
173.09589	1.8
173.11955	1.0
173.13271	4.1
175.11186	2.7
176.39226	0.9
177.12720	3.1
179.10614	1.0
179.14346	1.4
181.12172	1.0
183.11699	2.3
185.13235	1.2
187.11200	3.3
187.14783	2.0
189.11241	6.2
191.14375	1.7
193.12279	1.8
197.13251	3.2
205.12190	1.6
207.13722	1.1
213.16400	1.8
215.14377	2.1
215.17982	1.9
219.13684	1.6
223.13335	3.3
229.19485	4.1
229.64912	1.0
233.15315	1.5
233.19005	1.0
235.16974	1.0
239.17993	6.8
247.20551	5.7
257.18988	13.2
265.21408	1.1
275.20065	100.0
293.21115	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	3.7
55.01867	6.6
55.05515	54.9
57.03441	1.7
57.07054	1.4
57.45034	1.1
65.03941	1.7
67.05508	28.5
69.03420	4.1
69.07063	10.6
70.08299	1.3
70.08757	0.9
70.29861	1.1
70.96247	1.6
70.96599	2.4
71.04996	1.5
75.33734	1.1
79.05495	35.8
81.03410	7.4
81.07058	29.5
83.04989	6.8
83.08619	27.9
85.02933	2.6
85.06548	2.5
91.05474	20.3
93.07048	25.6
95.04969	100.0
95.08605	12.9
97.06525	3.0
97.10176	22.5
105.07038	14.7
107.04948	8.3
107.08604	37.0
109.06519	6.2
109.10155	9.0
111.04406	1.9
111.08092	2.7
117.07041	7.0
119.06055	1.4
119.08586	15.0
121.06519	3.9
121.10146	11.6
123.08069	4.5
123.11721	3.3
125.09641	23.8
129.07030	2.6
131.08565	13.3
133.10129	10.8
135.08084	6.3
135.11679	7.0
137.09592	1.8
143.08513	1.4
145.10138	16.1
147.08055	4.8
147.11703	7.5
149.09625	48.8
149.13254	1.8
151.11113	1.4
153.09087	2.7
155.08566	1.9
159.11652	8.5
161.09627	2.4
161.13226	2.7
163.11183	26.7
171.10155	4.0
171.11626	2.4
173.11755	1.4
173.13286	2.5
177.12807	4.1
183.11739	1.5
187.11230	3.4
189.11241	17.3
205.12231	6.9
211.13245	1.4
211.25198	1.2
223.13293	52.3
223.15486	2.6
229.19547	4.0
231.17290	1.2
237.11320	1.2
239.17963	3.2
247.20662	2.9
251.16626	1.4
257.18991	7.5
275.20074	76.9
293.21121	75.1
294.21429	1.4
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	12-OPDA
Peak:m/z	Relative Intensity
52.76928	2.8
53.03952	28.0
55.01857	11.9
55.05517	30.1
55.13289	3.3
65.03926	3.9
67.05511	49.7
69.07071	36.9
70.31558	6.0
70.31953	7.3
79.05493	46.9
81.03421	58.8
81.06607	5.0
81.07064	98.2
83.04964	13.6
83.08633	15.6
85.06520	5.8
91.05479	54.4
93.07049	53.8
95.01292	9.3
95.04971	19.9
95.08624	40.7
97.06541	24.6
97.10178	4.5
98.20810	3.5
105.07036	100.0
107.04971	25.0
107.08604	23.2
109.06532	14.9
109.10162	11.2
111.08109	2.9
117.07001	19.0
119.08579	54.3
121.06483	8.5
121.10128	11.2
123.08087	14.8
129.06973	3.4
131.08559	28.7
133.10130	59.0
135.08044	6.2
135.11702	15.2
136.93736	3.3
137.09619	3.6
143.08510	6.0
145.06451	9.2
145.10130	28.3
147.11697	22.7
149.09625	7.4
149.13277	6.4
157.10054	6.7
159.11694	16.4
161.13232	5.9
163.11194	6.3
165.09152	3.6
169.10139	4.4
177.12802	8.2
179.14282	15.8
187.11198	8.6
195.13828	7.0
201.12733	3.4
205.12169	4.5
222.03392	3.2
223.13307	10.0
225.68599	3.9
247.20499	3.9
257.18921	10.4
272.41278	3.5
273.73611	3.1
275.20087	92.2
293.21161	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.01509	0.5
53.03875	0.7
55.01756	1.6
55.02048	1.1
55.05391	6.1
55.05696	3.4
57.03350	0.8
57.06976	1.2
57.07221	0.6
59.43364	0.7
65.03844	0.6
67.05370	16.7
67.05775	5.0
69.03318	1.3
69.03654	0.8
69.06931	13.5
69.07355	4.0
70.94028	1.4
71.04900	1.5
72.16282	0.5
77.03853	0.7
79.05351	11.1
79.05865	2.2
81.03314	1.1
81.06911	21.4
81.07448	4.2
83.04836	6.1
83.08479	4.0
83.09010	0.9
85.06415	1.2
87.58319	0.5
91.05336	12.8
91.05948	1.6
93.06892	16.3
93.07543	2.3
95.04824	7.0
95.05487	0.9
95.08459	14.5
95.09138	2.0
95.32915	0.6
97.06384	3.0
97.10032	1.7
97.10614	0.5
101.05991	0.7
105.06879	17.1
105.07655	1.6
107.04800	4.9
107.08442	11.7
107.09205	1.0
109.06365	8.6
109.10002	6.6
111.07922	1.8
112.47452	0.5
117.06869	4.5
119.08426	11.0
121.06359	6.8
121.09985	7.6
123.07918	4.5
123.11559	2.5
125.09480	1.6
129.06851	1.7
131.08578	11.1
133.06319	1.7
133.10135	13.4
135.08047	3.3
135.11710	4.5
137.09628	3.0
137.13103	0.7
143.08403	2.0
145.06357	1.7
145.10133	8.5
147.07899	1.9
147.11696	10.8
149.09593	4.9
149.13205	1.3
151.11192	6.0
155.08470	1.3
157.09990	2.2
159.07944	1.3
159.11691	6.1
161.09644	2.9
161.13094	2.0
163.11220	3.9
163.14809	0.6
165.12633	0.7
169.09961	0.9
171.11577	1.7
173.09483	1.7
173.13295	3.3
175.11177	1.0
175.14766	0.6
177.12595	1.8
179.10611	0.8
183.11687	1.2
187.11053	1.8
189.12750	0.7
191.14360	3.0
197.13174	1.5
199.14775	1.1
201.12674	2.3
207.13814	2.9
215.14169	1.5
215.17892	1.6
219.13795	4.5
221.15244	0.7
229.19508	1.4
231.17400	1.1
233.15364	0.7
233.18936	1.3
239.17975	3.1
247.20668	2.9
257.19037	12.8
265.21561	0.9
275.20074	100.0
285.79437	0.6
293.21130	33.5
294.21631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03960	1.3
55.01868	4.3
55.05511	12.3
56.00653	1.0
57.03448	1.9
57.07088	1.2
65.03946	1.0
67.05511	28.7
67.54489	1.0
67.88710	1.1
69.03434	2.0
69.07066	15.3
70.24838	3.2
71.05007	5.2
79.05499	16.5
81.03428	2.4
81.07058	32.7
83.04996	4.0
83.08644	5.1
85.06543	7.0
90.80830	1.1
91.05489	14.0
93.07044	16.2
95.04979	20.1
95.08618	22.1
97.06531	3.2
97.10177	3.2
98.21471	1.3
99.08147	2.1
105.07043	16.6
107.04985	3.1
107.08606	15.9
109.06523	11.3
109.10163	100.0
111.08088	3.3
113.06020	1.7
113.09637	2.8
117.07037	4.8
119.08588	37.0
121.06516	1.3
121.10158	14.4
123.08070	6.5
123.11736	3.9
125.09643	2.8
127.11195	18.5
129.06960	1.3
131.08589	9.3
133.06439	1.5
133.10156	9.5
133.11047	1.6
135.08047	6.9
135.11690	4.5
137.05989	13.7
137.09622	6.9
139.11165	5.4
143.08585	2.6
144.09393	1.8
145.10143	10.5
147.07970	1.5
147.11676	8.9
149.09586	7.9
149.13200	2.8
151.11226	2.7
155.10698	2.6
157.10143	9.0
159.11694	28.8
161.09497	1.6
161.13266	1.5
163.11205	7.9
163.14861	1.5
169.10133	2.3
171.11717	3.2
173.11908	1.2
173.13300	4.9
175.14824	3.1
177.12762	1.7
183.11678	2.6
187.11292	1.5
187.14941	1.3
189.11224	1.9
189.16365	1.8
191.14287	1.9
197.13290	2.4
199.14847	14.0
209.15364	3.6
215.18022	1.9
217.15884	12.9
223.13309	6.8
235.16959	4.0
239.17978	3.5
247.20729	1.6
257.19019	9.4
275.20084	36.2
293.21136	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	4.0
55.01878	8.6
55.05512	21.8
57.03432	2.0
57.07080	2.6
59.04990	1.6
64.29579	1.1
65.03945	1.8
67.05505	32.4
69.03416	3.1
69.07077	12.8
71.04993	3.3
79.05076	1.6
79.05502	24.0
81.03431	6.6
81.07057	35.7
83.04969	5.2
83.08157	1.4
83.08630	17.0
85.06535	3.2
90.45926	1.1
91.05482	23.9
93.07051	26.5
95.04980	20.1
95.08615	23.5
97.02876	2.8
97.06535	7.9
97.10167	5.1
97.30702	1.1
98.21606	2.6
99.08138	1.3
102.58219	1.1
103.05497	1.1
105.07037	27.0
107.04958	9.9
107.08599	23.0
109.06528	10.2
109.10155	18.8
111.08078	6.7
113.06041	1.4
117.07020	8.9
119.08588	22.1
121.06537	6.0
121.10143	15.7
123.08054	7.6
123.11709	3.7
125.09652	5.9
129.07021	2.5
131.08571	12.4
132.45248	1.1
133.06490	1.3
133.10147	26.1
135.08054	6.0
135.11676	7.1
137.09641	9.0
139.11232	1.5
141.07005	1.6
143.08556	2.6
145.10135	17.9
147.08061	2.1
147.11694	11.3
149.09634	22.1
151.11197	11.1
153.09059	1.4
155.08614	3.1
157.10135	3.3
159.11702	10.8
161.09662	2.9
161.13289	4.7
163.11180	21.7
163.14781	1.3
165.12759	6.1
169.10135	3.1
171.11687	3.1
173.09630	3.4
173.13272	5.8
175.11194	3.4
177.12772	4.3
179.10654	1.5
179.14201	1.9
181.12190	1.5
183.11717	3.2
187.11227	2.2
189.12767	2.1
191.10629	1.8
191.14354	2.0
197.13228	3.2
205.12274	1.4
207.13834	2.7
211.14740	1.3
213.16435	2.1
215.17975	2.0
223.13232	6.4
229.03824	1.2
229.19525	5.3
235.16930	1.4
239.17931	13.8
247.20602	4.9
250.19104	1.3
257.19043	17.0
275.20074	100.0
293.17850	2.7
293.21136	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.07031	0.5
53.03950	2.4
55.01878	6.2
55.05513	44.2
57.03439	2.5
57.07073	2.3
59.05006	1.3
65.03962	1.7
67.05507	24.0
69.03437	2.8
69.07072	12.8
70.96324	1.5
71.01394	0.6
71.05006	3.0
74.11703	0.5
77.03947	0.5
79.05494	33.0
81.03419	6.2
81.07059	24.9
83.04977	6.5
83.08621	25.5
83.09128	1.0
85.02915	2.8
85.06548	2.2
87.32015	0.5
91.05485	16.0
93.07047	25.9
95.04971	100.0
95.08609	14.4
97.06534	3.8
97.10173	21.8
99.04503	1.0
101.09679	0.6
105.06327	0.7
105.07034	16.5
107.04958	7.9
107.08601	28.8
109.02841	0.5
109.06525	6.7
109.10162	9.0
111.04449	2.7
111.08083	3.8
115.05476	0.8
117.07017	7.1
119.06056	0.6
119.08582	15.6
121.06496	4.6
121.10153	11.2
123.08086	4.3
123.11703	3.1
123.55779	0.5
124.54921	0.5
125.09632	21.4
129.07011	2.5
131.08566	10.5
133.10136	12.5
133.11092	0.9
135.08049	6.3
135.11696	6.7
137.06041	0.6
137.09625	2.3
139.11256	0.6
141.06984	1.2
141.09070	0.8
143.08575	2.6
143.10716	1.0
145.06470	1.1
145.10129	16.1
147.08049	6.1
147.11690	7.3
149.09627	44.4
149.13292	0.8
151.11185	1.6
153.09105	3.1
153.12788	0.8
155.08611	1.2
155.10622	0.7
157.10112	1.5
159.08060	0.9
159.11707	8.0
161.09599	2.7
161.13293	3.6
161.14435	0.7
163.11189	28.7
165.09111	0.8
165.12825	1.1
169.10144	1.6
171.10199	3.0
171.11673	1.5
173.11797	1.1
173.13306	2.3
175.11169	1.4
177.12788	4.1
179.10693	0.6
181.04930	0.6
183.11598	1.0
187.11194	4.5
187.13286	1.0
189.11234	16.2
191.10677	1.2
193.12364	1.2
197.13304	0.6
201.12769	1.1
205.12239	8.0
209.11732	1.2
211.13245	0.9
215.17924	1.0
219.17310	0.8
223.13300	59.6
228.41826	0.7
229.19580	3.5
237.11266	3.2
237.14806	0.7
239.18036	3.9
247.20604	2.9
255.70924	0.5
257.19058	8.1
259.74683	0.5
275.20074	65.8
293.21118	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.99243	0.4
53.03944	2.9
55.01870	2.2
55.05265	0.6
55.05511	4.7
57.03432	1.1
65.03938	0.6
66.04729	0.5
67.05501	10.6
69.03438	0.6
69.07071	3.5
70.42262	0.4
70.57422	0.9
71.04990	1.5
79.05491	27.2
81.03439	2.1
81.07055	100.0
83.04973	1.8
83.08612	2.1
85.06538	1.6
91.05478	12.1
93.07037	8.7
95.04962	5.5
95.08610	6.4
97.06525	3.8
97.10250	0.3
99.08089	0.9
101.06030	0.7
105.07030	10.4
107.04948	1.9
107.08590	8.0
108.73148	0.4
109.06516	58.1
109.10142	5.7
111.04436	0.5
111.08067	1.5
117.07002	2.3
119.08569	9.8
121.06480	1.0
121.10146	4.2
123.08070	2.5
123.11685	1.0
123.93177	0.4
124.15854	0.4
125.05880	0.4
125.09621	0.9
127.11175	0.6
129.06992	2.1
130.07790	0.5
131.08562	3.6
133.06444	0.4
133.09131	0.6
133.10129	10.1
135.08046	1.6
135.11705	2.0
137.09607	1.7
139.11162	0.6
143.08566	0.8
145.10120	3.8
147.08083	0.6
147.10510	0.7
147.11682	12.8
149.09615	5.5
149.13248	2.0
151.11153	2.5
156.55833	0.4
157.10155	3.6
159.11681	3.7
161.09666	1.0
161.13243	1.0
163.11159	3.0
165.12762	3.8
169.10152	0.6
171.11684	0.7
172.37848	0.4
173.13257	1.8
175.11188	5.2
177.12767	1.2
183.11609	0.7
185.13272	0.6
193.12236	5.7
205.12392	0.4
211.13210	0.9
213.16321	0.6
217.15924	0.7
223.13184	1.1
229.19478	0.9
239.17909	1.6
247.20558	1.8
257.19061	3.2
260.69669	0.4
275.20053	34.5
293.21106	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26356	2.7
55.24397	3.0
58.84623	2.3
67.05494	10.3
71.29890	5.7
72.08147	5.9
78.91273	2.6
78.95628	4.5
79.05478	5.6
81.07051	10.0
93.07051	3.7
94.93008	9.6
95.08609	7.8
97.02934	2.7
101.00867	7.7
109.10144	3.1
113.00831	3.0
119.01922	9.7
131.01901	8.4
143.01945	24.4
143.08476	3.2
143.29396	2.6
147.04396	4.0
155.01900	14.6
161.02977	27.5
173.02994	20.9
178.81320	3.2
185.02963	13.1
187.04276	3.2
188.89795	5.9
188.91534	23.0
203.04013	14.0
221.05045	9.8
239.06116	8.6
267.50168	2.9
275.20078	5.3
293.03204	7.3
293.06311	100.0
293.11191	4.1
293.21078	2.9
308.14026	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	293.1386
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03941	1.8
55.05516	45.5
57.03421	0.8
59.04998	0.8
60.91231	0.7
65.03934	1.0
67.05492	3.3
68.58812	0.7
69.03441	0.7
69.07074	1.7
70.06581	2.4
71.19772	0.6
72.08148	1.1
73.06564	3.9
73.70306	0.6
79.05486	2.6
81.03413	0.9
81.07072	5.4
82.33982	0.8
83.00462	0.7
83.04966	0.9
83.08615	1.6
84.08131	1.3
84.69305	0.8
85.02898	0.9
85.06528	1.2
86.09704	5.0
91.05468	3.2
91.07602	4.1
93.07051	4.2
95.04969	1.8
95.08613	2.3
97.06509	1.4
98.98441	0.8
103.05470	1.7
105.03397	0.9
105.07025	2.7
107.04935	1.0
107.08602	1.8
109.06545	1.2
109.10173	2.1
111.04453	0.8
113.06026	0.8
117.07008	1.3
119.08627	1.5
120.08117	15.4
121.02876	3.1
121.06503	0.7
121.10153	1.9
123.08095	2.3
125.09649	1.1
128.98650	0.6
131.08606	1.8
133.10139	2.4
135.08046	1.1
137.09631	1.1
143.08650	0.7
145.10179	2.0
146.10683	0.7
146.11777	3.5
147.04434	1.9
147.11739	0.9
149.02354	100.0
149.09660	1.6
151.11221	0.8
159.11678	0.9
167.03426	1.3
169.10168	0.8
173.05885	0.8
173.13260	1.4
177.09039	1.0
183.11421	0.7
187.37599	0.8
190.04977	1.7
203.07025	9.7
215.10608	1.0
221.08057	1.6
247.13423	0.8
275.12811	1.1
275.16660	0.9
275.20096	2.9
293.14136	8.7
293.17761	2.2
293.20938	3.5
293.24503	0.7
293.40057	0.7
303.05066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16988	1.4
70.91245	2.3
70.91557	1.9
74.38755	1.3
78.95625	2.1
79.54484	1.2
80.35754	1.3
82.99847	7.0
86.06035	1.5
86.99322	2.1
93.36079	1.5
94.99837	3.6
96.83219	1.4
97.01383	1.5
101.00890	29.0
103.31030	1.4
113.00879	13.7
114.05382	1.5
119.01936	28.0
127.02377	2.6
129.00395	2.5
131.01912	23.0
137.00850	1.5
143.01913	79.0
145.03464	5.4
147.01404	3.8
155.01909	77.0
157.03508	3.5
160.06111	2.7
161.02968	69.0
167.01869	6.5
170.08430	1.5
172.92239	2.5
173.02983	100.0
180.89233	7.9
185.02960	39.2
189.02397	1.8
191.03972	2.0
203.04025	38.5
221.05067	42.6
239.03847	2.3
239.06140	27.3
281.91510	1.6
293.03430	12.5
293.06302	81.3
296.10596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03934	5.8
55.05512	19.5
57.07065	2.2
57.94817	1.6
65.03919	1.8
67.05508	38.4
67.89883	1.6
68.30251	1.7
69.07071	16.1
71.08583	1.7
71.38131	3.1
77.03925	1.8
79.05499	77.9
81.06596	2.6
81.07061	51.7
83.08628	6.2
85.06541	3.9
90.06229	1.7
91.05488	29.1
93.07050	100.0
95.04981	4.2
95.08609	29.0
97.10170	3.9
99.08142	1.6
105.04510	2.5
105.07028	18.6
107.07879	3.6
107.08603	62.7
109.06501	3.0
109.10184	15.5
117.07014	2.8
119.08598	13.8
121.10150	43.4
123.08024	2.2
123.11716	3.7
129.07018	2.2
131.08565	6.6
133.10158	17.5
135.08080	3.5
135.11699	57.1
137.09645	2.5
143.08612	3.6
145.10165	5.6
147.10661	1.5
147.11693	11.5
149.09669	3.3
149.13261	31.9
157.10095	1.9
159.11705	3.5
161.13242	7.1
163.11166	5.4
163.14897	10.4
171.11746	3.8
173.13281	2.6
175.11198	2.5
175.14824	5.4
177.12782	3.9
185.13216	4.8
194.21454	1.6
195.13835	2.1
199.14830	3.0
213.16347	1.8
241.19464	5.0
259.20551	7.6
291.20239	2.9
291.23184	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03955	7.4
55.01873	1.5
55.05520	16.4
57.06774	1.2
57.07060	3.2
66.30198	1.2
67.05185	2.2
67.05515	31.1
69.06738	1.4
69.07080	16.3
70.34254	1.1
70.97980	3.1
77.03934	1.8
79.05504	70.3
81.07070	45.1
83.04985	2.6
83.08633	6.6
85.06554	3.3
91.05493	31.5
93.07056	100.0
95.04975	5.9
95.08619	30.7
97.06529	2.8
97.10177	5.2
99.08085	1.7
105.04517	2.4
105.07043	19.0
107.08604	54.8
109.06521	1.8
109.10180	16.0
111.08116	1.8
113.75423	1.2
117.07052	4.7
119.08599	16.1
121.10155	49.0
123.08062	2.7
123.11707	4.9
125.09622	2.3
129.07031	2.6
131.08575	5.8
133.10153	13.9
135.08089	2.5
135.11708	51.7
135.12729	2.8
137.09636	3.1
137.13257	2.0
139.11169	1.7
143.08588	2.5
145.10168	3.6
147.11717	11.4
149.09662	4.0
149.13280	33.3
151.11211	1.4
157.10170	3.4
159.11688	6.4
161.13261	10.0
163.11201	2.9
163.14796	9.0
170.80170	1.2
171.11699	5.8
173.13292	4.8
175.11191	2.2
175.14880	4.6
175.41174	1.1
177.12715	2.7
177.16385	1.5
185.13309	4.9
189.12640	1.3
199.14886	3.5
203.14330	2.2
209.15454	2.1
213.16522	2.7
217.19572	2.9
231.17656	1.6
231.21158	1.7
235.16989	2.4
241.19649	7.7
249.18556	2.4
259.20615	10.7
291.23233	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02362	1.0
51.42375	0.9
53.03938	4.0
55.01878	1.9
55.05274	1.1
55.05514	17.2
57.07063	3.3
57.24403	0.8
59.04998	1.4
65.03925	1.6
67.05508	35.0
69.07069	17.1
71.05008	1.1
72.23429	0.9
73.06533	1.0
79.05496	70.1
81.07055	40.4
83.04994	1.3
83.08632	7.5
85.06547	2.7
91.05481	26.4
93.07046	100.0
95.04989	5.1
95.08608	32.5
97.06523	3.1
97.10158	4.1
99.00269	0.9
105.04524	1.4
105.07042	18.5
107.08596	53.1
109.06517	3.2
109.10155	15.2
111.08042	1.3
117.07024	4.0
119.06089	1.0
119.08580	14.5
121.06541	1.0
121.10149	40.9
123.08058	1.9
123.11707	3.9
125.09602	1.4
129.06998	2.2
131.08571	5.0
133.10139	13.8
135.08052	1.6
135.11691	54.2
137.09628	2.2
137.13242	0.9
143.08569	2.3
145.10095	4.1
147.11674	10.4
149.09636	3.9
149.13269	28.6
157.10129	3.2
159.11688	5.2
161.09636	1.1
161.13263	6.0
163.11198	2.2
163.14819	9.1
165.12764	1.6
171.11682	4.0
173.13319	2.8
175.14799	5.2
177.12732	2.3
185.13252	2.9
189.12764	1.4
195.13838	1.0
199.14824	3.3
203.14256	1.9
209.15382	1.8
213.16354	1.9
217.19608	1.6
221.15318	1.4
235.16943	2.4
241.19438	5.0
249.18480	2.1
259.20575	10.1
291.19971	3.8
291.23187	71.7
293.47824	0.9
304.88940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01875	0.8
55.05511	3.7
56.00370	0.4
57.07056	0.6
59.09902	0.5
67.05508	5.5
69.07073	4.5
71.52112	0.7
79.05501	5.6
81.03427	0.7
81.07057	11.2
82.25155	0.6
83.04974	0.5
83.08622	3.5
87.77287	0.5
89.46717	0.5
91.05474	7.6
91.11787	0.5
93.07044	10.4
95.04974	2.9
95.08607	8.6
97.10169	1.3
102.97967	0.6
105.07034	14.8
107.04954	1.1
107.08595	7.3
109.06526	1.1
109.10163	4.1
115.05452	0.7
117.06998	4.5
119.08582	12.8
121.06520	1.1
121.10152	6.2
123.08086	1.4
123.11733	1.2
125.09647	0.8
128.06239	1.7
128.10579	0.6
129.06993	3.5
131.08571	5.3
133.06519	0.7
133.10149	8.3
133.59160	0.6
135.08072	1.1
135.11734	2.1
141.07005	2.4
142.07774	2.0
143.08562	8.4
143.86092	0.6
144.09428	0.6
145.10121	6.6
147.08041	1.2
147.11687	4.9
149.13309	0.8
153.06996	1.0
154.07832	1.0
155.08556	5.5
156.09404	2.8
157.10138	10.5
159.11676	3.9
161.13280	2.1
163.11244	1.1
164.58606	0.6
165.07022	1.7
166.07809	1.3
167.08606	3.1
168.09340	1.9
169.10144	9.8
170.10951	1.7
171.11702	7.2
173.13324	1.9
175.11165	0.7
178.07774	1.6
179.08527	4.8
180.09378	1.7
181.10098	5.6
182.10976	1.8
183.11705	9.2
185.13254	5.5
191.08586	2.0
192.09404	3.5
193.10130	8.9
194.11005	1.4
195.11693	6.2
196.12476	1.2
197.13240	9.0
199.14809	2.7
205.10136	2.8
206.10880	5.0
207.11696	9.7
207.13557	1.0
208.12540	1.4
209.13277	7.7
211.14835	5.7
218.10983	0.8
219.11713	4.5
220.12473	5.7
221.13251	11.6
222.13966	1.2
223.14885	3.4
233.13318	3.8
234.14061	1.3
235.14812	18.0
236.15549	1.3
237.16505	1.1
247.14824	3.0
248.15630	1.3
249.16397	9.5
249.18602	1.0
261.16309	2.6
262.17252	1.0
263.18100	1.5
273.18604	1.8
276.18774	1.5
291.21136	100.0
292.21414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.15132	1.1
53.03951	5.3
55.01871	1.8
55.05511	19.2
57.07055	2.9
65.03935	1.8
67.05506	35.4
69.03416	1.4
69.07071	16.0
70.21118	0.9
73.06549	1.2
73.14841	0.9
79.05495	76.3
81.07059	48.0
82.21885	1.0
83.04996	2.2
83.08619	9.1
85.06525	2.8
91.04910	1.2
91.05482	25.7
93.07047	100.0
95.04989	5.5
95.08611	29.7
97.06503	2.6
97.10149	4.6
98.20741	2.4
101.05955	0.9
105.07032	17.5
107.04925	1.1
107.08595	54.1
109.06522	2.2
109.10157	15.6
111.08022	2.4
117.07040	5.5
119.08591	17.0
121.06583	2.1
121.10146	47.9
123.04361	1.0
123.08066	4.6
123.11683	4.3
125.09609	2.0
129.06993	2.1
131.08546	5.7
133.10104	12.8
135.08038	2.7
135.11697	61.1
137.09592	2.1
143.08563	2.1
145.10130	5.7
147.08023	1.8
147.11697	10.8
149.09608	3.9
149.13254	31.9
151.11111	1.0
157.10117	3.7
159.11723	6.4
161.13228	5.8
163.11160	4.6
163.14827	12.4
171.11682	3.6
173.13243	4.3
175.11148	1.7
175.14787	4.1
177.12755	3.2
177.16331	1.1
181.12210	1.2
185.13261	4.5
189.12759	3.2
194.50797	1.2
199.14783	2.4
203.14307	1.2
207.13731	1.3
209.15320	1.9
213.16357	3.3
217.19489	2.5
221.15323	1.9
231.17404	2.4
235.16882	2.5
241.19405	7.2
249.14772	1.3
249.18402	2.2
259.20544	9.7
273.18387	2.6
291.19604	10.5
291.23138	79.9
302.42603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03941	2.9
54.43468	0.6
55.01875	6.4
55.05281	0.9
55.05518	15.2
57.03425	2.4
57.07053	0.8
59.04987	1.1
65.03934	0.9
67.05189	1.0
67.05513	18.3
69.03432	3.9
69.06738	0.8
69.07076	10.3
71.04979	1.8
79.05502	25.9
81.03425	5.0
81.07066	41.5
83.04994	4.2
83.08629	6.0
84.80315	0.6
85.02909	1.9
85.06558	1.2
91.05489	17.0
93.06489	1.2
93.07049	18.9
95.04980	15.0
95.08604	13.6
97.06530	2.7
97.10178	7.0
98.21516	2.0
100.26957	0.7
105.03378	1.0
105.07042	16.1
107.04966	8.7
107.08599	11.1
109.06522	7.0
109.10149	5.5
111.04467	1.6
111.07384	0.9
111.08085	12.9
115.05460	1.0
117.07013	12.0
119.04938	1.5
119.08588	20.7
121.06511	9.9
121.10143	5.9
123.08080	22.4
123.11734	1.2
125.09643	6.5
125.93573	0.7
128.06190	0.7
129.07016	4.9
130.07788	1.4
131.08578	10.3
132.05740	1.1
133.06505	4.4
133.09431	0.7
133.10167	6.7
135.08070	7.7
135.11720	4.1
137.05983	1.0
137.09619	2.5
139.03897	0.8
141.07109	1.3
142.07779	1.2
143.08582	4.7
145.06522	0.9
145.10132	11.9
147.08060	12.7
147.11621	3.2
149.09648	6.0
149.13287	1.3
151.07553	25.0
151.11194	0.7
153.09099	3.0
153.12767	0.9
155.08632	0.8
155.10684	0.7
157.10127	4.7
159.08063	2.7
159.11652	3.5
161.09636	6.2
161.13269	0.8
163.11197	11.4
165.09119	4.8
167.08583	0.8
169.10030	0.9
171.10332	1.2
171.11681	3.0
173.09663	2.0
173.13307	1.1
175.11209	3.7
177.09085	1.6
177.12703	0.8
179.10693	1.8
181.12186	0.9
185.13249	2.4
187.11240	1.1
189.11191	4.2
189.12781	7.4
192.11462	1.2
193.12262	3.5
195.11652	0.8
197.11717	4.7
197.13220	0.8
203.10716	1.3
207.13806	19.6
217.12311	1.5
219.14008	0.7
221.11810	0.9
223.13301	4.5
227.18007	2.0
231.17519	0.9
237.16455	1.3
245.19019	1.7
249.14864	5.2
255.17400	4.7
273.18515	24.2
291.19562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01869	0.9
55.05507	2.8
57.03433	0.8
57.07079	2.5
57.98610	0.5
59.04995	1.7
67.05506	3.1
69.03448	1.0
69.07092	1.1
70.76310	1.3
71.04988	1.0
79.05500	2.2
81.07063	5.8
81.62214	0.5
83.04994	1.0
83.08620	1.3
85.06549	1.5
91.05473	4.4
93.06486	0.8
93.07051	10.3
95.04987	2.8
95.08614	9.2
97.06535	0.9
100.48083	0.5
105.07040	6.4
107.04962	0.7
107.07990	0.5
107.08606	3.0
108.05761	0.9
109.06514	4.1
109.10171	1.4
111.04414	0.5
111.08087	41.5
117.07024	1.6
119.08592	5.7
121.06512	2.0
121.10157	4.0
122.07296	1.8
123.08076	34.6
123.11696	0.9
129.07021	1.3
131.08606	4.0
133.06508	3.2
133.10139	4.5
135.08083	3.5
135.11729	2.4
137.09644	1.1
141.05446	1.1
143.08597	1.3
145.10141	3.9
147.08072	1.9
147.11655	2.6
149.09601	3.0
151.07552	100.0
156.09381	1.2
157.10129	1.7
159.08086	1.9
159.11731	0.7
161.09636	2.8
161.13306	0.8
163.11186	3.3
165.09160	0.5
171.11679	1.3
173.09665	1.0
173.13295	1.0
174.10378	1.7
175.11203	2.2
177.01636	0.5
177.09142	2.1
179.10701	4.8
181.12234	2.0
189.12755	27.5
190.13293	0.5
191.10640	1.5
192.11462	5.1
197.11736	16.2
197.13159	0.7
199.11185	0.7
205.12157	0.8
207.13815	64.5
211.14900	0.6
213.16389	2.0
215.14273	1.8
217.12233	3.6
231.17542	1.0
233.15436	0.8
235.13301	2.7
237.16435	0.8
255.17488	1.8
273.18542	4.6
291.19556	55.5
299.69659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03948	3.8
53.68235	0.7
55.01877	8.4
55.05514	21.4
57.03436	1.5
57.07070	0.7
58.66228	0.8
59.05002	0.8
65.03931	2.1
67.05508	19.3
69.03413	3.2
69.07060	5.2
70.96656	1.5
71.04982	2.6
77.03910	0.9
79.05498	42.5
81.03409	2.9
81.07060	48.4
83.04965	2.5
83.08620	9.2
85.06545	1.1
91.05490	24.1
93.06482	1.4
93.07050	21.6
95.04383	1.0
95.04979	16.7
95.08615	12.9
97.06553	1.2
97.10168	10.2
103.05467	1.8
105.03398	4.0
105.04517	0.8
105.07036	18.0
107.04964	9.6
107.08598	11.3
109.06535	5.0
109.10154	3.5
111.04399	1.5
111.08036	0.8
114.63319	0.9
115.05460	1.6
116.06242	1.0
116.25291	0.8
117.07027	18.3
119.04903	4.0
119.08590	39.4
121.06521	17.9
121.10158	6.4
123.08070	3.8
125.09624	9.5
128.06207	1.4
129.07024	8.6
130.07829	1.8
131.08582	14.0
133.06493	5.4
133.10159	5.3
135.08051	9.1
135.11688	2.5
137.09610	2.0
142.07806	1.0
143.08572	7.8
143.10674	0.9
144.09349	0.8
145.06451	2.1
145.10127	16.9
147.06952	1.4
147.08055	18.5
147.09227	1.0
147.11670	2.0
149.09610	6.3
151.07576	0.9
153.09132	1.3
155.08542	0.8
157.06456	1.2
157.10170	5.6
159.08081	3.4
159.11699	4.8
161.09633	7.5
163.11217	5.4
167.08495	0.8
169.10220	1.0
171.08073	0.8
171.10170	1.9
171.11685	3.7
173.09673	2.0
175.11221	2.9
181.10092	0.8
183.11674	0.8
185.09695	0.9
185.13284	2.9
187.11211	1.1
189.11243	6.6
189.12721	1.6
195.11644	1.5
199.11226	2.0
203.14290	1.5
213.12778	1.9
213.16449	0.9
223.13280	4.6
227.17923	2.3
237.16405	2.2
245.18991	2.2
249.14871	12.6
255.17545	5.7
273.15509	1.3
273.18506	38.9
291.19553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
54.86084	0.5
55.05502	1.7
56.05032	1.4
57.03445	0.5
57.07065	1.6
62.59020	0.4
65.03954	0.6
67.05506	15.4
69.07079	6.9
71.04999	5.9
71.15757	0.6
71.16106	0.6
73.64597	0.5
74.06083	1.2
79.05495	2.7
81.07067	6.0
83.04966	0.9
83.08590	0.6
85.06550	3.5
88.07642	4.2
89.07954	1.1
90.03174	0.5
91.05482	1.7
93.07052	2.7
95.04960	1.4
95.08609	8.3
97.25278	0.6
104.07151	0.5
105.07046	2.5
107.05006	0.9
107.08583	2.5
108.53071	0.5
109.06534	2.4
109.10159	100.0
111.08053	0.9
115.24218	0.5
117.07008	1.4
118.08636	1.0
119.08572	3.3
121.06514	0.8
121.10147	1.4
122.08111	0.8
123.08057	1.6
123.11712	0.5
127.11198	20.9
131.08582	1.8
133.10136	1.9
135.08055	3.7
137.09616	11.6
142.07780	0.8
143.08560	0.9
145.10136	1.9
147.08055	1.4
147.11670	1.4
149.09615	1.3
151.07523	2.1
155.10696	0.8
156.09268	0.7
157.10135	3.2
157.62149	0.5
159.11667	1.1
161.09593	1.0
161.13275	1.0
163.11148	0.7
165.09094	1.7
171.11679	1.7
173.09691	0.6
173.11853	1.0
173.13272	2.4
175.11179	0.9
185.13258	0.9
189.12790	1.7
197.13223	1.2
199.11223	1.3
203.14314	0.6
207.13821	1.4
211.14658	0.9
213.16400	2.8
215.14323	2.8
231.17435	1.7
233.15372	1.4
242.24734	0.7
243.25133	5.5
255.17465	1.8
273.18494	5.0
291.16022	0.8
291.19604	8.4
291.27219	17.8
301.02365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03948	0.9
55.01871	1.5
55.05523	3.9
57.03426	0.8
57.07077	2.5
59.01142	0.5
59.05002	1.9
62.15102	0.5
67.05517	3.9
69.03424	1.2
69.07045	1.2
69.79083	1.3
69.79498	1.5
71.04980	1.5
74.05943	0.5
75.82249	0.5
79.05505	3.0
79.60139	0.5
81.07063	6.2
83.04971	2.1
83.08617	1.7
85.06541	1.6
91.05483	3.9
93.07044	11.1
95.04990	3.0
95.08616	8.8
97.06548	0.9
97.92085	0.5
105.07031	6.2
107.04980	0.8
107.08588	3.6
108.05696	0.8
109.06535	4.0
109.10178	2.4
111.08087	36.0
117.07038	1.8
119.08586	6.2
121.06496	1.3
121.10162	5.0
122.07291	1.4
123.08072	31.1
127.07524	0.5
129.07008	1.3
131.08575	3.2
133.06491	3.3
133.10136	4.3
135.08037	4.1
135.11705	1.9
137.06000	0.6
137.09605	1.8
141.05464	0.7
142.07773	1.0
143.08536	1.3
145.10123	3.6
146.07263	0.6
147.08055	1.8
147.11699	2.9
149.09630	3.4
151.07550	100.0
153.09180	0.7
156.09409	1.2
157.10120	2.7
159.08046	1.6
161.09645	3.4
161.13281	0.6
163.11171	3.0
165.09131	0.8
171.11707	2.4
173.09604	1.1
173.13304	1.5
174.10403	1.7
175.11182	2.5
177.09164	2.8
179.10667	4.5
181.12257	2.0
185.13219	0.8
189.12743	25.7
191.10640	1.0
192.11391	3.5
197.09911	0.9
197.11736	14.7
197.13249	0.9
205.12317	1.2
207.13811	63.7
213.16434	1.3
215.14365	1.0
217.12259	4.2
231.17540	0.8
233.15297	0.6
235.13298	2.6
255.17508	1.9
259.45749	0.5
273.18460	5.0
283.46350	0.5
291.19547	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.57748	0.3
53.03939	0.6
55.01880	0.5
55.05509	3.0
57.07075	0.6
57.62791	0.3
59.04993	1.1
62.15718	0.3
67.05502	2.3
69.03428	2.6
69.06741	0.4
69.07076	7.2
70.13846	0.6
70.14193	1.3
71.04982	1.2
77.03893	0.5
79.05495	7.8
81.07058	6.5
83.04971	1.6
83.08616	1.3
85.06536	0.5
91.05481	4.4
93.07047	21.7
95.05003	1.8
95.08612	5.2
97.06527	2.2
97.10168	0.9
98.97596	0.4
99.08144	0.4
105.07028	8.6
107.04961	2.9
107.08603	9.4
109.06517	13.0
109.10181	1.9
111.04443	0.4
111.08083	0.6
111.11721	2.5
113.09634	0.4
115.05476	0.4
117.06994	1.3
119.08593	4.6
121.06496	1.4
121.10149	32.5
123.08047	2.8
123.11705	0.5
125.09638	2.7
128.06180	0.4
129.06958	1.0
130.07745	0.5
131.08586	2.8
133.06476	1.2
133.07562	0.7
133.10152	2.6
135.08052	5.1
135.11734	0.6
137.09592	2.6
139.11201	1.9
142.07819	0.5
143.08582	1.1
145.10149	2.3
147.08028	1.5
147.11707	1.6
149.08432	0.6
149.09621	12.0
151.07512	1.2
153.09126	0.7
155.08595	0.4
155.10663	0.5
156.09366	0.6
157.10147	2.6
159.08084	0.8
159.11714	0.8
161.09586	0.9
163.11195	0.7
167.10680	100.0
169.10159	0.5
170.10855	0.5
171.11658	1.7
172.12405	0.4
173.09607	1.2
173.13245	3.1
175.11212	2.9
182.10922	0.7
185.13306	0.4
187.14922	0.5
189.12727	1.6
191.10751	2.9
191.12248	0.4
191.12788	0.4
191.14288	3.2
195.11667	0.4
196.12431	0.6
197.13287	1.8
199.11107	0.8
211.14821	0.6
212.15602	0.6
213.12807	0.4
213.16405	1.1
215.14381	2.9
217.12292	0.8
231.17505	0.4
232.07574	0.3
233.15363	12.1
240.15137	0.5
245.19037	0.5
249.18622	0.5
255.17438	2.7
259.96078	0.4
273.18512	7.4
290.19092	0.4
291.16519	0.6
291.19531	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	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.09717	1.5
53.03960	1.6
54.41183	1.3
55.01871	3.8
55.05512	13.1
57.03440	2.6
57.07067	5.3
67.05511	25.4
69.03416	5.3
69.07066	7.5
70.68879	5.3
71.02387	1.7
71.04999	7.8
79.05490	21.1
81.03408	1.7
81.07065	23.3
83.04971	5.1
83.08618	13.2
84.08113	2.0
85.02887	1.8
85.06547	8.4
90.86570	1.8
91.05492	17.3
93.07049	26.5
95.04970	10.5
95.08614	44.7
97.06533	8.4
97.10159	2.0
99.04502	2.1
105.07047	20.1
107.04967	21.8
107.08614	17.0
109.06536	14.7
109.10166	74.2
111.08091	33.8
113.05998	3.0
113.09666	3.0
115.05535	1.7
116.98530	1.8
117.07012	5.8
119.08599	24.2
121.06506	4.9
121.10160	19.0
123.08073	36.2
123.11696	3.3
125.09653	5.2
129.07011	6.9
130.07773	3.0
131.08585	18.6
133.06519	5.5
133.10161	14.4
135.08070	25.4
135.11690	4.5
136.93246	1.7
137.09641	38.0
139.03885	2.5
142.07762	3.3
143.08583	3.9
145.10136	40.9
147.04341	1.9
147.08061	6.2
147.11691	17.8
149.09631	12.2
151.07558	86.3
151.11214	1.9
153.09140	5.2
155.10683	7.4
157.10123	13.8
159.08078	3.7
159.11713	7.8
161.09650	10.2
161.13283	6.7
163.11240	9.2
165.12784	1.6
169.10046	1.9
169.12283	1.8
171.10446	1.6
171.11676	10.2
173.09631	2.3
173.13297	8.5
175.11189	10.4
177.09105	3.0
179.10684	6.1
181.12302	2.2
185.13281	2.7
187.14760	7.2
189.12749	28.6
191.10602	2.3
191.14319	25.4
192.11499	3.7
197.11731	19.9
197.13281	3.4
203.14369	4.4
207.13824	66.0
207.15773	3.4
211.13257	2.8
213.16380	3.5
215.14348	12.1
217.12314	5.5
227.17955	4.1
231.17476	8.8
233.15379	100.0
235.13388	2.7
237.16440	2.7
245.19102	3.2
249.18495	4.2
255.17421	4.5
273.18491	21.8
291.12567	3.1
291.16147	3.8
291.19571	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03930	1.9
55.01860	2.1
55.05511	10.3
57.07077	3.1
59.04989	2.7
67.05515	9.0
68.20776	1.2
69.03424	4.0
69.07061	3.4
69.97228	1.4
70.49866	2.9
71.04981	5.7
73.65409	1.5
79.05494	14.8
81.07063	11.8
83.04955	5.8
83.08628	14.8
85.02898	3.9
85.06529	4.8
86.70359	1.5
91.05472	7.3
93.07046	17.4
95.04976	7.8
95.08610	23.9
97.06520	9.4
99.04438	3.3
105.07025	13.9
107.04959	23.0
107.08608	19.0
109.06493	11.7
109.10152	21.3
111.08076	18.9
113.06050	2.0
113.09643	5.0
117.07008	3.9
119.08599	19.2
121.06501	2.7
121.10144	14.0
123.08070	18.8
123.11644	2.4
125.09619	7.0
127.11198	1.7
130.07793	1.8
131.08597	11.3
133.10135	14.6
135.08054	8.6
135.11681	2.2
137.06042	1.4
137.09618	12.8
141.05432	1.7
142.07793	2.1
143.08539	4.2
145.10121	17.9
147.08026	3.9
147.11691	9.5
149.09624	8.4
149.13203	1.9
151.07542	41.0
155.10664	9.3
156.09375	2.4
157.10182	7.8
159.08087	1.8
159.11713	2.8
161.09633	3.6
161.13234	5.0
163.11197	6.5
169.12277	4.9
171.11681	5.6
173.09605	2.6
173.13257	13.7
175.11177	6.6
177.09161	1.5
179.10651	1.9
184.20644	1.5
187.14774	3.5
189.12755	16.4
191.10623	2.1
191.14305	37.6
196.33989	1.5
197.11726	10.2
197.13295	3.4
199.11224	2.0
206.49220	1.4
207.13812	29.1
207.15738	1.6
211.13347	5.8
213.16371	2.9
215.14320	10.7
217.12274	5.3
231.17448	5.3
233.15372	100.0
235.13295	1.7
249.18497	3.6
255.17365	3.3
273.18484	14.0
291.12888	3.2
291.19553	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	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03938	2.0
55.01875	4.5
55.05514	12.8
57.03429	3.3
57.07061	2.1
59.04989	2.4
65.03917	1.0
67.05186	1.4
67.05511	20.6
69.03419	3.6
69.06793	0.7
69.07066	8.1
71.04982	3.8
71.32722	1.3
78.68840	0.9
79.05069	1.6
79.05494	19.1
81.03405	3.0
81.06592	1.6
81.07058	30.6
83.04977	4.7
83.08633	10.3
85.02893	1.6
85.06535	3.7
91.05482	14.0
91.80833	0.9
93.06483	1.5
93.07046	19.4
93.07632	1.1
95.04982	11.1
95.08073	1.2
95.08615	17.1
97.06532	5.7
97.10159	3.7
99.04449	1.7
105.03389	1.5
105.07036	17.1
107.04961	8.4
107.08585	10.1
108.05698	1.3
109.06522	9.0
109.10157	43.8
111.04449	1.6
111.08086	30.0
115.05444	1.9
117.07016	7.6
119.04922	1.1
119.07807	1.5
119.08584	18.1
121.06516	5.8
121.09384	1.0
121.10143	7.6
123.04446	1.4
123.08068	26.8
123.08956	1.6
123.11693	2.0
125.09615	4.8
127.11217	1.0
128.06189	1.1
129.06978	4.4
131.08574	8.8
133.06483	3.5
133.10123	8.3
133.11086	1.5
135.08051	8.1
135.11728	4.2
137.09618	4.3
139.03880	1.3
139.07458	1.1
141.05475	1.3
142.07799	1.3
143.08562	4.7
145.10136	9.9
147.08057	7.9
147.11687	4.8
149.09631	7.5
149.13269	1.5
151.07544	72.6
153.09038	1.3
156.09366	1.4
157.10107	3.4
159.08098	2.9
159.11659	2.4
161.09616	6.4
161.13303	1.4
163.11186	9.8
165.09120	1.7
169.10063	1.8
171.11684	4.9
173.09595	1.5
173.13245	2.9
174.10400	1.3
175.11249	4.1
177.09129	2.7
179.10622	4.6
181.12279	2.3
185.13208	1.1
187.11285	1.2
189.11186	2.3
189.12729	21.2
191.10657	1.5
191.14259	4.4
192.11409	2.5
193.12242	1.8
195.11736	1.1
197.11755	12.3
197.13333	1.1
203.14371	1.4
207.13803	43.9
213.16312	1.8
215.14273	3.0
217.12273	4.3
223.13339	2.4
227.17973	1.9
231.17433	2.5
233.15358	13.3
235.13298	2.6
237.16496	1.2
245.18932	2.0
249.14990	2.2
255.17351	4.4
273.18466	19.0
291.19540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03945	6.5
55.01869	8.5
55.05515	46.3
57.03431	5.3
57.07080	4.9
59.04998	2.7
65.03947	1.9
67.05506	22.7
69.03432	3.1
69.07072	19.7
69.92238	10.0
71.04999	54.8
79.05499	24.7
81.03424	4.5
81.07058	35.1
83.04990	4.5
83.08620	29.7
85.02905	3.6
85.06544	6.3
88.68063	2.2
91.05476	23.5
93.07053	41.6
94.07825	2.2
95.04970	16.8
95.08614	29.2
97.06530	6.7
97.10182	4.3
98.98447	2.5
99.04459	40.6
99.08133	3.5
105.07043	23.6
107.04971	6.8
107.08608	34.3
109.02858	2.6
109.06523	50.5
109.10167	20.7
111.04469	5.1
111.08087	63.4
117.07038	8.4
119.04957	2.7
119.08585	25.1
121.06514	12.3
121.10151	27.9
122.07319	3.4
123.04404	4.4
123.08062	22.4
123.11652	2.9
123.21835	2.0
125.06015	3.8
125.09625	5.2
129.07008	6.5
131.08560	15.7
133.06563	5.3
133.10146	16.7
135.08061	20.1
135.11690	20.2
137.06026	2.6
137.09602	11.7
139.03883	2.9
139.07544	3.5
142.07848	3.2
143.08586	8.4
145.06508	2.1
145.10107	20.3
147.08064	15.8
147.11705	8.9
149.09633	16.3
149.13245	2.2
151.07582	7.6
151.11154	2.3
155.08629	2.5
156.09357	3.2
157.10130	8.0
159.08089	6.4
159.11708	6.1
161.09592	11.9
163.11214	13.0
165.09064	3.8
165.12723	4.7
171.11736	3.6
173.09644	8.2
173.13297	3.5
175.11247	7.6
175.14868	6.9
177.12816	4.0
181.12273	12.5
185.13416	2.7
187.11200	2.5
189.12752	6.6
191.10675	36.0
191.14333	8.6
193.12260	2.9
193.15886	12.4
197.11723	2.3
201.12634	3.3
203.10733	3.3
207.13820	3.8
213.16269	2.8
217.12254	2.7
233.15434	4.8
245.19003	2.6
249.14828	3.3
249.18480	5.3
255.17422	3.7
257.19055	4.3
273.18503	20.2
291.19604	100.0
291.22919	3.4
291.26691	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	3.4
55.01873	10.3
55.05514	19.2
57.03433	2.8
59.05007	1.0
65.03924	1.4
67.05507	21.4
69.03436	3.1
69.03775	0.6
69.07069	12.3
69.63454	3.8
70.65292	0.6
71.04988	2.6
77.03927	0.7
79.05498	33.8
81.03042	0.6
81.03436	4.9
81.07059	49.1
83.04995	4.4
83.08232	0.7
83.08629	8.2
85.02905	1.4
91.05482	21.8
93.07049	19.8
95.04974	18.2
95.08607	14.2
97.06532	4.5
97.10171	8.7
99.08095	0.8
99.69590	0.6
103.05475	1.5
103.72566	0.8
105.03415	1.1
105.04489	0.9
105.07033	15.4
107.04964	9.6
107.08590	13.3
109.06520	6.3
109.10153	5.7
111.04411	1.8
111.08067	2.8
113.05945	0.8
115.05446	1.7
116.06233	1.3
117.07014	13.8
119.04939	2.0
119.06049	0.6
119.08588	27.4
121.05639	1.2
121.06506	13.3
121.10161	6.6
123.04425	1.5
123.08079	16.3
123.11752	1.0
125.09636	8.6
128.06223	1.5
129.07010	6.4
130.07831	0.9
131.08574	11.6
133.06517	3.9
133.10144	6.0
135.08057	7.4
135.11690	3.3
137.09592	4.7
140.98967	0.6
141.07031	0.8
142.07710	1.1
143.08574	5.6
145.10133	14.4
147.08051	16.5
147.11639	3.1
149.09625	6.8
149.13232	0.6
151.07571	1.4
151.11168	1.0
153.09100	4.6
155.08562	1.0
157.06526	1.1
157.10164	4.8
159.08072	2.3
159.11703	4.9
161.09634	7.5
163.11172	10.8
165.09140	5.0
169.10226	0.9
171.10223	1.5
171.11681	3.7
173.09659	1.3
173.13297	1.0
175.11201	3.0
177.12630	1.1
183.10246	0.7
185.09634	1.2
185.13300	2.2
187.11110	0.8
189.11218	3.5
189.12782	1.3
193.12247	3.8
195.11748	1.2
199.14832	0.9
205.12195	0.9
207.13875	0.7
213.12839	1.3
213.16351	1.2
213.80937	0.7
221.11710	1.4
223.13341	4.9
227.17958	2.4
237.16345	2.5
245.19038	2.0
249.14915	7.0
255.17351	3.6
273.15479	1.3
273.18497	32.5
291.19553	100.0
291.27032	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03942	3.5
55.01875	8.8
55.05269	1.7
55.05513	20.6
57.07056	1.6
60.61347	1.2
60.85987	1.1
67.05177	1.9
67.05505	18.0
69.03423	3.9
69.07071	15.6
69.26891	4.3
69.27312	6.4
71.04981	3.4
75.65632	1.2
79.05496	44.8
81.03421	1.4
81.07057	44.1
83.04990	2.1
83.08624	9.5
91.05480	25.9
93.07045	21.9
95.04974	26.2
95.08604	16.5
97.06531	2.4
97.10155	8.6
98.20794	2.8
98.98444	1.2
103.05486	1.9
105.03407	2.7
105.07033	20.0
107.04966	20.0
107.08582	11.4
109.06516	4.8
109.10178	5.9
111.08083	2.0
115.05416	1.3
117.07027	17.6
119.04919	4.3
119.08591	36.9
121.06506	23.8
121.10159	9.1
123.08054	7.2
125.09647	7.8
128.06245	2.8
128.14435	1.2
129.07013	9.0
130.07722	1.5
131.04887	1.2
131.08562	13.9
132.05698	1.5
133.06483	5.4
133.10109	5.8
135.08054	9.2
135.11665	2.5
135.55011	1.2
141.06953	2.1
141.09125	1.6
143.08562	9.2
145.10107	17.2
147.08044	21.3
147.11763	1.8
149.09618	8.3
151.07561	1.8
157.06499	2.0
157.10136	6.5
159.08076	2.8
159.11688	6.3
161.09631	13.1
163.11234	9.3
167.08531	1.7
169.10066	2.4
171.11790	1.8
173.09601	1.5
175.11192	2.8
183.11684	1.2
185.09544	2.0
185.13293	2.5
187.11182	1.2
189.11177	4.6
189.12633	2.4
195.11659	1.6
203.10712	1.4
213.12601	1.5
221.11743	7.4
223.13356	5.2
227.17860	1.9
245.19122	2.2
249.14874	12.5
255.17488	5.8
273.18491	33.4
291.19556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	8.9
55.01867	8.2
55.05517	48.7
57.03429	4.8
57.07068	6.0
59.05008	3.2
67.05511	23.0
69.03428	5.6
69.07076	17.5
69.69633	2.7
71.05000	60.4
78.14939	2.6
79.05499	15.1
81.03389	2.9
81.07070	36.3
82.00764	2.6
83.04969	5.6
83.08624	34.3
85.02895	4.2
85.06546	9.7
88.69154	2.9
91.05492	24.8
93.07055	40.6
94.07835	4.4
95.04955	21.6
95.08611	31.6
97.06538	9.9
97.53512	2.4
99.04463	50.6
105.07028	17.9
107.04983	6.3
107.08604	45.5
109.02861	4.5
109.06532	56.2
109.10182	16.8
111.04449	5.2
111.08089	65.5
117.07017	7.0
119.08586	32.2
121.06518	10.4
121.10155	24.0
123.08092	25.7
123.11726	4.2
131.08601	10.4
133.10133	13.0
135.08051	18.9
135.11705	27.0
137.06001	4.4
137.09644	14.8
143.08543	6.2
145.10138	17.8
147.08061	11.8
147.11713	5.5
149.09657	13.9
149.13309	5.0
151.07564	12.3
157.10164	9.4
158.10796	2.9
159.08096	5.5
159.11742	5.5
161.09645	9.6
161.13237	3.5
163.11232	13.2
165.12720	3.6
171.11682	6.3
173.09695	13.9
173.13271	3.3
175.14893	7.4
177.12801	4.1
179.10669	3.1
181.12279	12.0
189.12784	5.5
191.10699	37.3
191.14293	16.2
193.15866	14.1
204.95930	2.8
207.13789	6.8
249.18524	8.0
255.17953	3.0
257.18948	3.0
273.18454	16.7
291.19611	100.0
291.26901	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03927	3.5
55.01637	1.1
55.01877	14.1
55.05235	1.4
55.05508	22.5
56.05018	3.5
57.03433	8.8
57.07067	2.6
58.06574	1.4
65.03916	1.4
67.05505	26.4
69.03411	4.9
69.07065	9.8
71.04984	2.5
71.08611	1.5
71.38319	2.0
74.06077	2.6
77.03902	1.1
79.05493	50.6
81.03418	3.6
81.07056	61.1
83.04972	3.8
83.08614	13.1
85.02906	2.8
85.06531	3.6
88.07629	9.7
89.07957	2.9
91.05483	30.1
93.06488	1.8
93.07044	25.1
95.04971	23.1
95.08601	16.6
97.06548	6.6
97.10159	7.6
103.05499	1.5
104.90382	1.0
105.03379	2.8
105.07034	23.4
107.04952	20.6
107.08592	21.3
109.06518	43.1
109.10137	7.6
111.04450	1.5
111.08080	8.5
113.09615	1.4
115.05441	2.4
117.07023	21.9
118.08651	1.9
119.04940	3.1
119.08581	36.0
121.06507	17.4
121.10148	10.8
122.08134	1.3
123.04462	1.7
123.08053	5.8
123.11692	1.5
125.09624	8.9
128.06216	2.6
129.06987	9.9
131.08556	18.0
133.06500	5.9
133.10124	11.0
135.08054	43.3
135.11673	4.5
137.05971	1.4
137.09602	3.2
139.03915	1.3
142.07793	1.8
143.08557	8.5
145.06483	1.3
145.10133	16.6
147.08051	19.9
147.11693	4.2
149.09613	11.8
149.13217	1.5
151.07527	1.5
151.11128	1.2
153.09065	2.2
155.08504	1.2
157.10117	8.5
159.08047	2.8
159.11670	5.7
161.09587	9.4
161.13252	1.9
163.11174	5.8
165.09082	1.4
169.10135	1.9
171.11694	5.0
173.09637	1.6
173.13266	5.0
175.11191	5.2
177.12724	2.5
185.09598	1.7
185.13249	3.3
189.11217	5.1
189.12538	5.4
191.14297	10.7
195.11668	1.6
197.13344	1.3
199.11176	2.8
205.12317	1.2
207.13870	2.0
211.13214	1.9
213.12779	1.2
215.14336	2.6
217.15871	5.1
223.13289	4.4
227.17863	3.0
231.13756	2.2
231.17366	1.1
232.84875	0.9
233.15358	34.2
237.16542	1.6
242.95448	1.0
243.25119	14.1
245.18990	2.1
249.14842	9.3
255.17436	6.5
273.15463	1.9
273.18494	42.7
291.19553	100.0
291.27182	46.0
292.19681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	15.0
55.05514	32.9
60.41628	3.4
64.28466	3.5
65.03917	5.2
67.05521	29.0
69.03428	22.9
69.07070	27.6
70.06587	9.2
71.05001	18.6
71.36239	9.4
73.02912	5.0
79.05478	25.1
81.03407	11.0
81.07063	32.9
83.04977	25.3
83.08610	26.0
84.08141	12.1
85.02893	14.7
85.06528	17.4
86.09688	8.8
87.04475	10.4
88.04021	4.4
91.05472	29.0
93.07038	35.6
95.04947	12.2
95.08604	26.4
97.02894	7.1
97.06531	20.6
98.97608	5.3
98.98442	7.4
99.00823	14.7
101.06017	22.2
105.07018	16.9
107.04979	13.9
107.08600	28.2
109.02869	3.8
109.06524	17.7
109.10193	18.2
111.04455	23.5
111.08103	19.5
113.06010	8.9
113.09647	5.6
115.03921	7.1
115.05454	4.9
117.06996	9.7
118.96609	3.7
119.04937	4.8
119.08566	13.9
120.08058	7.0
121.06496	10.4
121.10128	12.0
123.04473	23.0
123.08081	9.2
123.11694	4.7
125.05984	17.5
125.09641	67.8
127.03941	7.6
127.07533	4.2
127.11085	4.2
129.05489	28.3
129.09119	10.2
130.06519	26.0
131.08562	14.1
133.10101	11.9
135.08037	16.8
135.11678	8.3
136.06200	4.0
136.07613	4.5
137.05948	10.4
137.09581	5.2
139.03908	20.1
139.07544	14.1
141.06969	5.5
143.07025	5.5
143.08649	6.3
145.05013	4.1
145.10124	10.8
145.25780	4.4
147.04353	12.1
147.06464	7.1
147.08054	6.7
147.11697	11.0
149.05978	11.5
149.09615	14.0
151.07607	5.9
153.09143	8.4
155.07069	5.4
159.08107	4.5
159.11653	12.5
161.09525	6.6
163.07549	8.1
167.07039	7.8
171.11752	4.5
173.13240	15.7
177.09053	7.0
179.10654	5.6
181.08588	6.4
188.06990	4.3
189.12794	6.9
191.14278	8.9
195.10260	5.2
195.13831	4.6
201.12726	10.5
207.13841	5.6
209.15492	3.9
219.13776	22.6
237.14856	100.0
241.10834	6.1
247.13322	4.4
255.15840	21.4
273.12238	5.0
273.18741	8.4
291.09442	6.8
291.13040	12.0
291.16068	9.6
291.19592	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	291.0975
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
52.43644	0.7
55.05506	0.8
62.69834	0.7
65.52567	0.7
68.72982	0.7
68.99789	1.4
70.89881	0.8
71.11808	1.3
71.12165	1.0
73.42920	0.8
86.10942	0.8
87.00829	1.2
88.03998	2.5
115.05450	4.6
117.05761	1.8
118.06554	11.7
129.06967	1.1
130.06528	98.8
132.08096	34.9
142.06523	11.5
143.07298	1.7
144.08093	6.7
146.06006	19.3
146.51120	0.8
154.06584	0.8
156.02922	1.3
156.08104	4.4
156.09198	0.8
157.07626	5.5
158.05968	1.8
158.08356	5.1
159.09180	93.2
160.07603	7.7
167.06024	1.9
169.07602	2.6
170.06010	35.3
172.07590	1.5
174.03986	1.7
181.07588	2.4
182.06058	2.3
183.09187	6.3
184.07585	18.1
185.07108	44.4
187.08664	5.4
188.07069	40.3
188.08774	1.5
199.08626	2.5
200.07074	11.2
201.10239	14.1
205.09692	1.8
209.07092	1.8
218.66191	1.1
227.08150	49.6
229.09752	3.3
231.07625	3.0
245.09222	100.0
255.07632	4.2
273.08731	13.1
291.09854	3.7
291.19873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01880	1.7
55.05515	0.7
65.03937	0.9
67.05512	1.6
68.99792	1.4
69.03429	0.8
69.07082	2.7
69.50415	2.3
77.03917	0.3
79.05505	0.4
81.03430	0.8
83.04973	1.7
85.02904	3.1
85.06506	0.3
85.71984	0.3
90.86605	0.3
91.05471	1.4
93.03398	1.2
93.07052	0.3
95.04963	2.8
97.02898	1.0
98.21477	0.5
102.66521	0.4
105.03429	0.7
105.07043	0.9
107.05004	0.5
109.02921	0.5
111.04445	2.9
111.08080	0.8
111.11691	1.0
115.05457	1.2
115.77091	0.3
119.04945	5.5
119.08516	0.4
121.02857	0.4
123.04430	61.5
124.04752	0.6
127.03914	1.5
129.12784	0.5
131.04910	0.4
133.06490	1.1
135.04378	0.5
137.02307	1.2
137.05981	0.9
139.03905	100.0
141.12743	0.7
143.04904	2.6
147.04413	20.1
149.05983	0.4
151.03908	2.9
151.07611	0.4
153.05450	0.8
159.04391	0.5
161.05983	8.7
163.03912	1.3
165.05484	15.0
169.04947	1.0
171.04539	0.3
177.05484	1.1
179.07028	2.9
180.82837	0.3
181.04918	0.9
189.05490	2.5
207.06535	6.6
237.14946	0.5
249.07539	1.7
255.15834	0.6
273.07544	1.8
291.08618	8.5
291.13541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98238	6.9
70.06593	6.4
70.30475	10.3
72.08149	2.7
78.95637	16.5
84.04473	3.8
84.08141	3.6
94.92973	3.8
107.03371	2.7
112.89542	2.7
114.05508	4.0
115.31185	2.7
127.88081	2.6
156.94887	3.8
164.95595	7.8
186.91733	43.7
291.04535	5.2
291.07986	17.5
291.10788	100.0
291.19254	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	4.9
67.05511	5.6
69.03419	5.9
69.65941	25.5
70.06591	11.7
70.18605	4.1
72.08168	6.1
84.04515	21.4
84.08147	8.1
86.09675	4.9
97.02983	4.4
103.07492	4.5
116.07079	6.0
126.12783	13.2
130.04980	5.7
143.00221	4.3
144.13861	37.8
159.02803	9.7
165.87784	4.1
175.32217	4.3
244.54167	4.2
248.99232	4.9
273.10663	7.4
291.04749	9.9
291.08148	20.4
291.10840	100.0
291.15750	7.0
291.19235	17.1
308.75314	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	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01635	0.4
55.01875	1.6
63.89644	0.3
65.03943	0.9
65.86584	0.4
67.05500	1.7
68.99799	1.6
69.97815	1.0
69.98203	0.7
71.46227	0.4
77.03955	0.4
83.04987	1.1
84.11199	0.3
84.28918	0.3
85.02930	0.4
86.09642	0.4
91.05471	1.3
93.03414	1.2
95.04974	2.5
98.98681	0.4
105.03357	0.5
105.09566	0.3
107.04941	0.4
111.00780	0.5
111.04446	2.7
111.07712	0.3
115.05452	1.0
118.00205	0.3
119.04942	5.0
123.04431	63.8
127.03915	1.6
133.06487	1.1
135.04373	0.6
137.02347	0.8
137.05959	0.7
139.03903	100.0
140.04259	0.5
143.04924	2.3
147.04410	20.3
151.03906	2.6
151.07521	0.6
153.05490	0.5
161.05986	6.3
163.03946	1.9
165.05481	17.3
169.05009	2.0
177.05498	0.6
179.07007	2.5
181.04997	0.7
182.17987	0.4
189.05487	2.2
207.06525	6.8
234.23260	0.4
235.69861	0.4
249.07558	1.8
273.07593	1.4
291.08627	8.5
299.74094	0.3
303.40186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03942	0.7
55.01875	1.4
55.05514	18.2
57.07073	1.2
59.04988	0.7
65.39382	0.6
67.05502	3.2
69.03417	2.3
69.07075	3.2
70.06585	0.5
70.86113	1.3
71.04975	1.0
79.05499	4.1
81.03415	0.7
81.06744	0.4
81.07059	4.2
83.04978	2.2
83.08621	36.1
84.08146	0.6
85.02878	0.8
85.06549	0.6
89.19193	0.5
91.05470	5.9
93.07043	15.7
95.04966	1.8
95.08620	5.7
97.06501	1.6
97.10178	1.3
105.07043	5.7
107.08595	16.2
109.06533	3.9
109.10149	2.4
111.08067	4.0
111.11742	0.8
115.05481	1.0
117.07028	3.2
119.04965	0.6
119.08590	6.0
120.05726	2.9
121.06516	17.3
121.10147	3.8
123.08064	3.4
123.11629	0.6
125.09634	7.8
127.03909	1.0
129.07001	0.7
131.08585	3.0
133.10146	1.9
135.08063	22.3
135.11710	1.6
137.05905	0.7
137.09633	2.8
139.11136	0.6
143.08545	1.2
145.06523	0.8
145.10143	4.4
147.08046	4.6
147.11688	3.6
149.09608	1.1
151.07500	0.6
151.11137	0.7
153.09114	2.0
155.10591	0.9
156.09409	0.8
157.10126	1.2
159.08054	0.9
159.11685	2.7
161.09570	1.2
161.13274	1.1
163.07571	4.4
163.11185	4.5
165.09087	1.2
169.10130	0.9
171.11656	3.4
171.13824	0.7
173.09631	4.2
180.01158	0.6
185.13335	0.7
187.11200	5.1
187.14857	0.8
188.11957	9.2
189.12752	5.8
195.11746	0.8
203.14398	1.1
204.15089	6.8
205.12224	2.6
205.15904	7.5
208.42538	0.5
211.14810	0.8
213.12923	2.6
217.19606	1.2
228.23140	0.7
229.10289	0.7
229.15948	2.0
231.13803	26.6
235.20450	1.2
246.16153	6.1
247.16945	26.5
253.21658	0.7
271.16931	1.8
289.17987	100.0
290.18436	0.8
290.26978	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	289.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
53.96886	2.9
55.01870	19.6
55.05513	41.2
57.03435	5.9
57.07064	5.2
65.19000	3.0
67.05507	36.4
69.03415	13.2
69.07069	56.6
69.39267	7.1
69.39671	18.2
69.86721	3.3
70.98531	3.2
71.04977	9.1
75.97003	3.1
79.05495	47.5
81.03410	8.5
81.07056	87.1
83.04984	8.0
83.08152	4.8
83.08623	51.3
84.08186	3.7
85.02911	9.9
85.06541	9.6
91.05488	40.8
93.07047	59.5
95.04971	27.3
95.08608	49.7
95.92947	3.3
96.22118	3.2
97.06534	45.8
99.04462	14.1
99.08102	5.8
103.03932	4.4
105.07032	63.5
107.04964	4.4
107.08595	41.2
109.02899	6.1
109.06521	98.8
109.10174	11.3
111.08091	32.3
115.05478	4.7
115.07599	3.3
117.07024	9.8
119.08584	58.4
121.06523	16.9
121.10151	19.8
123.04500	3.6
123.08071	73.7
123.11621	4.6
125.05973	8.1
125.09640	6.6
127.03921	25.7
129.07008	9.1
131.08572	18.4
133.06479	11.9
133.10138	26.3
135.08060	18.0
135.11670	6.6
137.05966	57.1
137.09610	16.3
139.03906	3.5
139.07535	35.7
139.11168	4.0
139.96935	3.5
141.09145	5.4
143.08546	12.0
145.10136	9.8
147.08063	20.8
147.11687	14.6
148.34227	3.7
149.09633	11.2
151.07539	36.0
153.01852	5.1
153.09087	7.0
154.02158	7.0
155.02365	7.7
155.08479	5.3
157.10146	7.9
159.08092	5.2
159.11708	18.4
161.09579	8.8
161.13264	32.3
163.11217	5.4
164.07149	6.1
165.09125	7.3
169.08675	7.5
169.10046	4.8
171.10158	21.1
171.11577	5.4
173.09682	10.2
173.13205	3.8
175.11305	5.4
175.14835	20.9
185.13269	22.0
187.09734	3.4
187.11194	3.9
191.10573	5.5
201.11208	4.2
203.14291	35.4
211.14697	3.6
213.12686	5.9
215.10634	7.8
221.15361	100.0
225.12807	3.6
229.15895	19.1
233.11746	18.0
235.16916	5.2
239.16470	27.4
247.17052	4.2
253.15758	4.7
253.17966	22.7
271.14005	4.0
271.16998	9.1
289.06467	4.2
289.09720	13.1
289.15247	7.1
289.18027	82.4
289.21332	6.0
289.25250	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	289.1798
Annotation	Estriol
Peak:m/z	Relative Intensity
53.03948	1.9
55.01866	3.1
55.05519	13.5
56.05027	2.1
57.07074	3.9
58.06596	2.0
59.05007	2.2
59.06112	3.0
67.05519	12.2
69.03433	2.7
69.07068	15.3
70.96120	3.8
70.96470	2.0
71.04977	6.1
74.06071	4.1
79.05489	19.0
81.07063	23.2
83.04983	3.4
83.08618	7.5
85.06538	3.9
85.98084	1.5
88.07630	3.2
89.07139	6.2
91.05486	42.6
93.07054	20.5
95.04978	22.9
95.08611	16.0
97.06505	2.7
97.10164	3.6
103.05453	3.0
103.08714	3.5
105.07042	66.3
107.04944	2.5
107.08591	28.3
109.06530	24.3
109.10150	5.6
111.08089	4.8
115.05434	2.1
117.03021	1.8
117.07029	12.3
118.50706	1.4
119.08585	40.6
119.78495	1.7
121.06507	11.1
121.10100	26.7
123.08073	12.5
127.03908	2.8
128.06236	4.7
129.06979	6.0
131.08574	22.7
133.06482	3.4
133.10139	38.8
135.04442	3.1
135.08064	30.6
135.11671	3.2
137.09589	2.9
142.07813	2.1
143.08562	14.3
144.09334	5.0
145.06485	3.4
145.10155	32.0
147.08047	4.8
147.11702	41.9
149.05931	4.1
149.09633	18.7
151.07597	5.7
154.07811	2.1
155.08575	8.6
156.09346	9.1
157.10167	9.7
159.08073	13.6
159.11697	18.1
160.08844	2.9
161.09668	14.4
161.13271	4.8
163.11249	4.5
167.10672	3.2
169.10147	13.6
170.10956	4.0
171.08134	1.7
171.11713	21.7
172.08798	2.5
172.12354	2.4
173.09641	19.4
173.13289	6.2
174.10434	2.0
175.11160	2.9
175.14789	1.8
177.09184	3.1
179.10692	2.5
181.10097	4.6
183.11699	4.2
185.09627	3.1
185.13220	9.4
186.10399	2.7
186.14050	2.2
187.11188	22.5
187.14871	2.4
188.12061	3.0
189.09081	12.5
189.12729	3.8
191.10701	3.2
193.12321	2.4
195.11737	3.6
196.12471	11.0
197.13214	3.4
201.12762	4.0
201.16420	1.8
205.12204	3.4
211.14835	19.4
213.12814	10.9
213.23248	4.7
214.13374	2.2
215.10710	6.0
215.14348	1.7
215.17886	2.3
227.14401	8.1
229.15886	36.4
231.13789	4.7
233.11800	5.8
239.17909	4.9
242.24791	5.1
245.25940	5.0
247.16954	6.6
253.15968	2.3
257.19046	14.5
271.16940	8.1
289.17981	100.0
289.21597	75.2
289.28531	49.2
293.41245	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.03942	8.1
55.01870	5.0
55.05505	5.9
57.03427	3.6
61.02916	3.1
65.03938	1.8
67.05508	11.3
69.03429	29.8
69.07066	8.2
70.06587	0.9
71.01344	0.8
71.04660	0.9
71.04999	13.1
73.02901	3.4
73.03266	0.9
73.06593	0.8
76.73143	0.9
79.05498	15.3
81.03423	28.0
81.07057	27.2
83.04989	7.7
83.08601	2.7
84.08139	1.3
85.02908	47.0
85.06553	4.5
87.04455	0.9
91.05475	10.3
93.07045	31.5
95.04978	9.4
95.08607	12.5
97.02894	25.0
97.06532	16.1
98.20717	1.5
98.97565	2.1
99.04458	58.3
99.08066	1.4
103.03947	45.6
105.07034	20.5
107.04929	2.6
107.08589	17.3
109.02886	26.6
109.06522	17.6
109.10157	5.6
111.04432	1.7
111.07487	1.0
111.08091	10.9
113.05990	3.3
116.98614	1.0
117.07000	2.7
119.04949	1.9
119.08587	15.2
120.08024	0.9
121.06508	49.8
121.10169	5.0
123.04454	2.7
123.08096	5.1
123.11732	5.6
125.05982	3.5
127.03919	100.0
127.07526	6.1
129.06981	3.0
131.08565	5.0
133.06497	2.1
133.10135	10.8
135.04417	2.5
135.08040	8.4
135.11687	1.7
137.05948	2.5
137.09616	2.1
139.07538	14.1
141.05504	2.0
142.07787	2.3
143.07010	2.6
143.08559	4.8
145.04964	15.1
145.06479	1.5
145.10124	5.2
147.08025	2.0
147.11693	26.0
149.05952	1.5
149.09636	1.5
149.13295	1.8
151.11180	3.0
153.09067	1.5
156.09329	1.9
157.06473	1.2
157.08604	8.4
157.10114	10.5
159.07988	1.1
161.06039	1.0
161.09584	2.5
161.13260	7.2
163.06111	1.2
163.07529	0.9
163.11145	1.0
163.14778	1.2
165.12755	12.7
166.07811	1.4
169.04932	1.6
169.12233	5.6
171.11670	9.4
173.09555	2.7
175.09773	1.6
175.11188	19.9
177.47037	0.9
181.10139	2.7
187.06044	11.1
187.11163	1.9
189.09004	1.1
189.12718	11.2
193.12267	15.6
199.11209	15.6
207.13835	11.1
207.17369	1.0
211.13283	17.1
217.12228	52.2
228.94646	0.8
229.14305	1.4
231.13779	1.2
235.13293	52.9
243.11391	1.2
245.12767	0.9
253.07104	1.7
253.14352	26.3
271.08038	2.5
271.14819	1.0
289.06165	9.6
289.09164	1.8
289.15338	2.8
289.18210	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	289.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01862	4.7
55.05508	10.1
57.03422	1.5
57.07082	1.5
57.31158	1.1
61.02915	1.2
65.03925	1.5
67.05508	11.9
69.03136	1.2
69.03432	13.1
69.07069	16.2
70.06587	2.2
71.05000	10.9
71.51785	1.3
76.47216	1.1
79.05494	20.7
81.03042	1.1
81.03434	10.7
81.06596	2.5
81.07059	43.5
82.48473	1.1
83.04993	13.3
83.08635	7.4
84.08132	2.2
85.02905	15.6
85.06546	7.8
91.05489	18.7
93.07047	58.9
93.07644	2.8
95.04973	14.1
95.08616	21.1
97.02900	7.5
97.05923	1.9
97.06535	32.8
99.04459	27.7
101.05978	1.4
103.03951	9.7
105.03429	1.2
105.07035	33.3
107.04948	6.1
107.08603	27.3
107.69462	1.1
109.02879	8.4
109.05802	2.0
109.06522	30.8
109.10174	6.9
111.04437	2.6
111.08088	19.0
113.06020	4.8
115.05524	1.2
115.07577	1.9
117.03362	2.3
117.07021	3.0
119.04971	1.9
119.08592	26.5
120.08086	1.9
121.06511	82.1
121.10122	6.8
123.04436	3.3
123.08074	6.1
123.11691	9.7
124.07613	1.3
125.05986	10.9
127.03931	29.0
127.07545	13.8
128.06238	1.3
129.06993	3.7
131.08614	5.8
131.09445	1.2
133.06499	3.0
133.10132	20.3
135.04414	6.1
135.08051	12.8
136.07504	1.3
137.06006	5.7
137.09592	2.0
137.13260	1.4
139.06529	1.9
139.07542	23.0
139.08615	1.1
141.05469	2.6
142.07770	2.6
143.07034	6.1
143.08551	6.8
145.02803	2.0
145.04947	2.8
145.10123	7.0
147.08038	6.1
147.10504	2.4
147.11693	49.7
148.86050	1.3
149.05972	2.7
149.09596	3.5
149.13281	3.4
150.21564	1.1
151.07527	2.5
151.11169	6.4
153.01842	21.2
153.09105	2.6
155.08531	1.5
156.09366	2.7
157.06482	1.4
157.08614	12.4
157.10120	15.7
159.06503	2.8
159.11682	1.5
161.05946	1.6
161.09621	3.9
161.13249	11.6
163.03912	8.7
163.11194	3.3
163.14816	2.2
165.12744	23.7
166.07787	2.1
169.12216	11.2
171.02913	3.2
171.07967	1.6
171.11700	15.4
173.08235	1.2
173.09650	3.6
173.13220	1.8
175.07520	1.7
175.09798	1.8
175.11200	28.9
181.10135	4.3
183.13834	1.6
184.08734	1.8
187.06042	3.5
187.11176	1.4
189.12746	19.3
191.08066	1.9
191.14415	2.0
193.12257	33.4
199.11194	28.2
207.13814	19.0
211.13284	31.2
211.15288	1.4
213.73962	1.3
217.12248	100.0
217.54486	1.3
222.44656	1.3
222.81155	1.1
229.14322	8.2
231.13754	5.2
235.13300	96.4
253.14359	55.1
271.10846	1.4
271.14880	1.4
271.17270	2.3
289.07068	16.7
289.11511	4.2
289.18240	12.3
299.15024	1.3
303.11099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03952	0.5
55.01868	0.3
57.03442	0.4
61.02922	0.7
64.52243	0.2
69.03448	1.6
70.82540	0.6
71.05000	0.3
73.24848	0.2
81.03449	1.1
84.08160	0.2
85.02917	4.9
86.09727	0.6
91.03963	0.3
97.02921	1.8
98.97614	0.6
109.02888	0.9
127.03931	100.0
128.04283	0.3
145.04971	1.1
152.08038	0.2
159.22833	0.2
169.39545	0.3
169.95114	0.2
173.22249	0.2
185.16429	0.2
248.99239	0.2
267.00128	0.3
289.09265	0.3
309.91507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83534	1.8
51.16764	1.5
53.03947	3.2
53.30621	1.7
55.01860	2.9
55.05508	5.0
63.42201	1.7
67.05508	13.0
67.54858	2.1
69.03415	8.1
69.03747	2.1
69.07070	17.3
70.60841	1.6
70.97318	5.1
71.04981	9.1
79.02546	2.0
79.05494	25.9
81.03415	6.3
81.06599	3.0
81.07061	46.6
83.04978	11.6
83.08636	4.5
84.08142	1.9
85.02898	7.4
85.06535	4.7
91.05487	15.9
93.07047	52.9
95.04968	13.5
95.08608	18.1
95.64920	1.7
97.02866	3.8
97.06534	29.4
99.03931	2.3
99.04466	22.1
103.03936	4.4
105.07037	35.4
107.04947	6.0
107.08597	20.9
109.02864	4.4
109.06533	30.0
109.10165	6.1
111.04372	2.0
111.08096	15.2
113.05997	3.9
115.07580	2.3
119.04955	2.7
119.08598	19.3
120.66942	1.9
121.06509	86.8
121.10118	6.3
123.04414	3.8
123.08052	5.3
123.11716	9.3
125.05972	5.2
127.03939	18.5
127.07542	10.8
129.06984	3.8
131.08511	5.6
133.06491	2.3
133.10152	20.9
135.04420	5.1
135.08070	8.9
135.11777	2.1
137.05974	4.7
139.07553	25.5
142.07808	3.7
143.07083	5.3
143.08531	7.5
145.04996	4.4
145.10143	7.5
147.08025	3.2
147.11685	44.6
149.13269	2.4
151.11153	2.8
156.09337	3.3
157.08743	14.2
157.09996	13.8
159.06656	2.7
161.09625	2.5
161.13290	11.0
163.03877	2.5
163.14764	1.9
165.12790	16.9
169.12241	9.0
171.11685	16.5
173.09654	3.5
175.09764	3.6
175.11195	34.7
175.12601	3.8
181.10162	3.6
187.05971	2.5
189.12759	20.2
191.02710	1.9
191.14421	2.6
193.08446	2.3
193.12242	32.7
199.11203	26.5
207.13818	16.3
211.13297	28.5
217.12244	100.0
218.17688	2.0
222.38321	1.9
225.14661	2.3
229.14392	7.7
235.13309	90.7
235.25792	2.3
253.14352	51.1
271.15063	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	289.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.3
54.18275	1.2
55.01872	1.5
55.05499	4.2
56.96571	2.8
57.03428	2.5
61.02924	2.6
61.38914	1.2
63.29946	1.1
67.05498	4.2
69.03087	2.1
69.03435	31.2
69.07063	3.4
69.86934	5.9
70.06593	2.8
71.05000	8.6
73.02906	4.1
74.28173	1.2
79.05483	3.2
79.95057	1.1
81.02994	1.9
81.03426	27.2
81.07055	5.9
83.04979	2.7
83.08609	2.7
84.08157	11.9
85.02911	48.9
85.06515	1.1
86.09718	1.4
91.05477	5.4
93.07037	5.0
95.04956	3.5
95.08606	5.0
97.02898	22.4
97.06525	2.6
98.20847	1.7
98.97574	3.8
99.04465	53.3
99.05120	2.7
99.08122	2.4
103.03950	36.1
105.07048	6.5
107.04944	2.5
107.08621	7.1
109.02888	29.3
109.06526	6.8
109.10168	3.1
111.04433	1.5
116.98596	2.5
117.06962	2.5
119.08587	5.2
121.06507	3.8
121.10152	7.6
123.04458	2.1
123.08049	2.9
123.11710	2.6
125.05962	2.3
125.09659	1.6
127.03925	100.0
129.07021	1.5
130.08649	2.8
131.08543	2.8
133.10110	3.9
135.04408	2.4
135.08037	4.9
135.11649	1.7
136.07611	1.7
137.09584	2.4
143.00119	1.4
143.08595	1.7
143.15421	1.2
145.04971	12.2
145.06107	1.5
145.10144	3.9
147.08052	1.9
147.11691	3.3
149.02365	2.3
149.05998	7.3
149.09616	3.8
149.13266	2.7
151.07570	2.3
153.01828	10.8
157.10223	1.6
159.08087	2.7
159.11603	2.8
160.52367	1.1
161.09605	1.6
163.03891	6.1
163.06050	1.2
163.07564	1.6
164.07077	5.2
169.10028	1.4
171.11635	1.9
173.09581	1.7
173.13338	1.3
177.00671	1.7
185.13326	1.4
187.06023	13.1
187.11237	1.7
191.14323	1.9
213.12827	1.4
226.12263	1.8
229.15866	2.3
231.13806	3.3
235.13222	1.3
243.06441	2.1
243.10875	1.2
247.16931	2.8
265.13779	3.4
271.14319	1.4
271.16980	6.5
289.06924	9.4
289.15170	8.7
289.18033	27.8
289.25787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.85466	0.5
53.03950	6.6
55.01869	1.4
55.05507	1.9
57.03428	2.3
61.02920	1.9
67.01875	0.6
67.05505	1.7
68.99801	1.6
69.03432	25.3
69.07080	1.7
69.97953	1.3
69.98354	2.2
70.06599	1.5
71.05000	7.8
71.70351	0.6
73.02924	4.0
77.58763	0.6
79.05475	1.5
81.03421	28.3
81.07040	1.1
83.01317	0.5
83.04977	1.5
83.08618	0.6
84.04491	0.6
84.08145	1.5
85.02908	41.6
86.09686	1.1
87.04486	1.0
87.15373	0.7
91.05499	0.9
93.07050	1.2
94.06599	1.3
95.04932	0.8
96.50719	0.5
97.02896	26.1
97.06467	0.6
98.97610	0.6
99.04460	50.1
102.67580	0.5
103.03944	41.6
105.07035	0.8
107.04967	2.5
107.08598	0.9
109.02885	27.3
109.06517	1.1
109.10216	1.0
110.07156	0.8
111.04430	1.0
113.09680	0.6
115.03924	1.4
123.04411	3.8
127.03923	100.0
130.06534	17.1
131.08630	0.8
132.04453	9.4
135.04407	2.2
135.08006	0.5
137.05980	0.9
139.03883	1.8
141.05478	0.5
145.04961	14.4
146.06020	2.1
149.02324	1.6
151.03810	1.0
151.07520	0.7
153.01863	2.2
157.07610	36.9
158.06024	9.7
163.03949	1.4
163.06018	0.8
165.05603	0.7
167.03461	0.7
169.04980	1.3
173.07162	2.8
175.08665	5.7
185.07147	4.7
187.06017	9.8
199.08623	0.8
201.06677	1.8
203.08160	13.9
215.06937	0.7
221.09235	1.0
225.06590	16.0
229.06284	0.6
235.13281	1.9
243.07614	1.8
253.07014	2.0
253.14369	1.1
271.07144	28.2
289.08209	29.0
289.11472	1.1
289.15244	0.9
289.18283	0.7
308.39139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0921
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03950	8.2
55.01874	1.5
55.05507	1.1
56.96564	1.5
57.03436	2.1
61.02920	2.1
65.03944	1.1
67.05492	1.7
69.03434	23.2
69.58250	2.3
69.58662	1.5
70.06577	1.9
71.04995	7.7
72.08168	0.9
73.02936	3.4
77.32591	0.5
79.05466	1.5
81.03426	27.9
81.07063	1.6
82.29212	0.6
83.01340	0.9
83.04979	1.5
84.04494	1.1
84.08157	1.7
85.02913	44.3
85.06546	0.8
86.09695	0.7
87.04480	1.0
91.03970	0.7
91.05481	1.8
93.03429	1.0
93.07042	0.7
95.04910	1.3
97.02903	30.1
98.97580	1.7
99.04464	49.2
100.07627	0.8
100.11284	1.3
103.03951	45.2
105.03386	1.0
107.04974	1.2
109.02136	1.5
109.02889	29.5
109.06509	0.9
110.07181	1.3
111.04449	2.3
112.08678	0.8
115.03981	0.7
116.98622	1.0
120.01999	0.6
123.04436	23.8
127.03929	100.0
133.10220	0.7
135.04424	7.4
135.08061	0.7
136.07556	0.6
138.36023	0.6
139.03928	8.0
145.02963	0.9
145.04970	18.7
145.49278	0.7
147.04414	0.8
148.81148	0.6
149.02417	1.0
151.03943	2.7
163.03909	5.8
165.05524	0.7
169.04997	1.7
171.13838	0.6
177.05521	0.9
179.11292	0.6
187.04309	1.2
187.06036	9.5
235.13327	0.7
243.06593	1.0
245.04509	1.4
253.07123	2.0
253.14279	0.9
265.06119	1.0
271.08145	1.8
289.07050	2.4
289.11993	1.2
289.18198	0.8
289.21201	0.8
289.50443	0.7
309.03030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03951	8.0
55.01869	1.1
55.05513	1.3
56.24934	0.6
56.96573	0.9
57.03432	2.7
59.55342	0.5
61.02926	2.1
62.64746	0.5
67.05500	1.5
69.03437	30.1
69.07067	1.0
69.51860	0.5
71.04993	7.9
71.52181	0.6
73.02941	2.9
79.05495	1.0
81.03427	26.7
81.07049	2.0
83.01341	1.0
83.04987	1.5
83.08629	1.2
84.04475	0.5
84.08141	1.2
85.02914	47.1
87.04457	1.3
91.05480	2.6
93.07062	1.7
95.04980	1.1
95.08618	1.5
97.02900	22.5
98.97588	2.0
99.04466	45.8
103.03953	47.1
104.51337	0.5
105.07054	1.5
107.08575	1.4
107.98454	0.5
109.02896	29.4
109.06547	1.5
109.10169	1.6
111.04473	0.5
115.03948	0.9
116.98642	0.7
117.07045	0.8
119.08607	1.1
120.08129	0.9
121.06575	0.7
121.10115	0.9
123.08115	1.3
127.03932	100.0
129.07028	1.0
131.08565	1.1
133.10133	1.0
135.08049	0.6
136.07671	0.6
143.08633	0.7
145.04970	13.2
145.10121	1.0
147.08038	0.8
149.09598	0.8
151.07579	1.0
153.01840	0.9
158.99734	0.6
162.05554	0.8
163.06064	1.1
169.05017	1.1
173.09608	0.6
182.77367	0.5
187.06036	10.0
231.13887	0.8
243.15259	0.8
253.07140	2.4
271.08008	2.7
271.16956	1.5
289.06104	5.8
289.11578	2.1
289.14767	1.6
289.17966	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.5
55.01875	1.1
55.05506	1.7
57.03429	2.6
61.02923	1.3
67.05509	1.5
69.03436	27.0
69.07073	1.6
69.51960	1.1
69.52363	3.3
70.06595	1.8
71.01354	0.7
71.05002	7.8
72.08154	2.0
73.02921	2.5
79.05486	1.4
81.03428	29.7
81.07065	2.1
83.04999	1.3
83.08640	1.0
84.08135	2.4
85.02916	49.8
85.06541	0.8
86.09720	1.4
87.04467	1.1
89.03897	0.6
91.03981	0.5
91.05474	1.2
93.03393	0.8
93.07046	2.1
95.04975	1.5
95.08598	0.9
97.02905	18.6
98.20739	0.7
99.04466	46.7
103.03956	42.3
105.07024	1.4
107.04960	1.7
107.08588	1.3
109.02895	24.4
109.10159	0.8
111.04451	3.3
111.08028	0.6
115.05509	0.5
115.11358	0.5
119.08572	0.8
120.08095	0.7
121.06480	1.1
121.10159	0.8
123.04447	11.4
127.03933	100.0
130.06592	0.6
131.04959	0.7
131.08591	1.0
133.06537	0.8
133.10165	1.1
135.04425	9.6
135.08075	0.8
136.07579	0.7
137.06012	0.7
139.03931	6.3
143.08632	1.0
145.03917	1.2
145.04973	13.6
147.04459	1.8
149.02361	1.3
149.09634	1.8
151.03938	1.8
153.05490	0.7
163.03955	2.6
163.06013	1.0
165.05511	2.0
167.10820	0.7
169.05013	1.4
184.68718	0.6
187.06047	10.1
189.12823	0.7
193.12192	1.1
200.24995	0.7
206.92694	0.7
207.13770	0.9
217.12314	1.2
231.06439	0.9
235.13326	5.9
243.06450	0.8
253.07159	1.3
253.14442	1.7
259.06247	1.2
261.07858	0.9
271.08240	1.7
271.10782	0.9
271.15591	1.3
289.06924	1.4
289.11795	1.8
289.20905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94635	0.9
53.03946	7.5
53.92788	0.9
55.01878	2.0
55.05514	2.2
56.89125	1.0
57.03425	4.0
61.01138	1.4
61.02915	1.8
66.43687	0.9
67.05497	2.9
68.99786	3.6
69.03432	25.4
69.07058	3.7
70.06593	2.8
70.28810	1.0
70.33024	2.2
71.04993	8.9
73.02911	4.2
79.05495	2.3
81.03416	24.5
81.07047	3.9
83.04983	2.6
84.08151	5.2
85.02908	41.1
86.06120	1.1
86.09707	2.0
87.04449	1.4
90.25426	0.9
91.05482	3.4
93.07008	2.4
94.06580	1.9
95.04939	1.7
95.08600	1.1
95.55781	1.0
97.02895	26.0
97.06519	1.2
99.04462	46.2
99.08112	1.4
103.03946	36.0
105.07045	1.8
107.04955	10.6
107.08618	2.3
109.02886	27.2
109.06535	1.6
109.10165	1.9
111.04449	2.8
113.02372	1.0
115.03966	1.3
115.05495	0.9
121.02916	1.2
121.06541	2.4
121.10167	1.3
123.04420	9.0
127.03922	96.5
130.06528	49.5
131.08528	1.6
132.04459	24.6
132.08385	2.9
133.06462	1.6
133.10121	1.6
135.04422	7.0
137.06001	2.0
139.03899	5.3
139.94606	1.1
141.06931	1.1
143.08585	1.3
145.04956	13.8
146.05995	8.6
147.04451	1.3
149.02318	7.9
149.09634	2.2
151.03857	1.6
153.01834	13.5
156.06804	1.5
156.97910	1.2
157.07614	100.0
158.06020	25.8
159.09204	1.2
161.05925	1.0
163.03915	3.3
165.05559	1.8
167.03401	1.5
169.04994	1.6
169.06416	1.0
171.02962	1.8
172.07664	1.6
173.07129	8.5
175.08691	13.2
185.07120	11.6
187.05992	6.8
195.57457	1.0
197.07190	1.1
199.08730	2.3
201.06653	4.4
201.08852	0.8
203.08170	37.9
215.06999	6.2
217.12164	1.1
221.09225	2.6
225.06587	42.8
233.11555	1.2
235.13191	6.5
243.06725	5.9
253.06985	1.6
253.14392	2.0
253.29852	1.1
271.02985	1.3
271.07169	77.1
289.08234	84.8
289.15350	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	289.0708
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
51.02381	0.7
52.63383	0.6
53.03946	1.3
55.01869	1.8
55.05509	2.4
57.03437	0.7
65.03944	7.3
67.05507	4.5
68.99802	3.4
69.03426	3.2
69.07076	4.4
70.06628	1.3
71.04993	1.9
71.05912	1.0
73.02905	0.6
77.03928	1.0
79.05510	3.1
81.03425	5.0
81.07077	3.3
81.52419	0.7
83.04987	4.3
83.08636	0.8
84.04499	0.7
84.08167	1.2
85.02908	4.9
87.04460	0.6
89.03934	3.3
91.05479	1.6
93.03406	11.1
93.07053	1.4
95.04980	4.4
95.08634	0.8
97.02908	2.6
97.06522	1.8
99.04457	4.5
101.02374	0.6
103.03954	2.0
103.05479	1.5
105.03397	1.5
105.07059	1.0
107.04959	7.9
107.08619	0.7
109.02869	4.0
109.06522	0.8
109.10155	1.1
111.00820	0.7
111.04447	23.4
111.08053	0.6
115.07580	1.3
117.03376	3.6
117.06995	0.8
121.02879	1.6
123.04433	79.9
125.06054	0.6
125.09624	1.0
127.03927	34.7
129.06993	0.9
131.04932	4.0
131.08595	0.7
135.04420	100.0
135.11708	0.7
137.02361	2.8
137.06042	0.6
139.03909	54.0
141.06924	1.2
145.02838	1.1
145.04913	1.5
149.02357	7.5
149.05981	2.3
150.03178	1.0
151.03908	20.4
153.01840	1.4
153.12738	5.1
157.06490	0.6
159.04462	2.3
161.05978	1.0
163.03909	25.2
165.05481	0.7
169.06490	1.6
171.13794	0.7
173.05951	1.0
175.07590	0.9
177.05528	1.1
179.03345	3.0
183.04382	0.9
185.05913	0.8
187.03893	3.1
187.07573	0.7
196.09935	0.8
197.05962	3.5
199.11296	0.6
201.05374	1.5
205.04955	2.0
213.05431	1.4
215.06998	2.7
217.05003	0.6
217.12231	0.9
225.05534	1.4
229.04962	1.2
229.13405	0.7
230.05106	0.6
231.06551	4.3
235.13275	4.9
241.04956	1.0
243.06575	4.8
245.04405	0.7
247.06090	0.8
253.14244	1.4
259.06039	5.8
261.07635	7.0
271.06024	10.1
271.10620	0.6
271.15207	0.8
289.07068	16.7
289.11929	0.8
289.15500	1.3
297.48816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36502	5.8
61.23184	6.4
67.24170	5.7
70.96297	13.9
73.26863	7.5
80.71809	6.5
112.02200	10.6
127.03875	20.8
127.04914	9.1
289.06479	100.0
289.09393	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	289.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
52.63383	0.6
53.03946	1.3
55.01869	1.8
55.05509	2.4
57.03437	0.7
65.03944	7.3
67.05507	4.5
68.99802	3.4
69.03426	3.2
69.07076	4.4
70.06628	1.3
71.04993	1.9
71.05912	1.0
73.02905	0.6
77.03928	1.0
79.05510	3.1
81.03425	5.0
81.07077	3.3
81.52419	0.7
83.04987	4.3
83.08636	0.8
84.04499	0.7
84.08167	1.2
85.02908	4.9
87.04460	0.6
89.03934	3.3
91.05479	1.6
93.03406	11.1
93.07053	1.4
95.04980	4.4
95.08634	0.8
97.02908	2.6
97.06522	1.8
99.04457	4.5
101.02374	0.6
103.03954	2.0
103.05479	1.5
105.03397	1.5
105.07059	1.0
107.04959	7.9
107.08619	0.7
109.02869	4.0
109.06522	0.8
109.10155	1.1
111.00820	0.7
111.04447	23.4
111.08053	0.6
115.07580	1.3
117.03376	3.6
117.06995	0.8
121.02879	1.6
123.04433	79.9
125.06054	0.6
125.09624	1.0
127.03927	34.7
129.06993	0.9
131.04932	4.0
131.08595	0.7
135.04420	100.0
135.11708	0.7
137.02361	2.8
137.06042	0.6
139.03909	54.0
141.06924	1.2
145.02838	1.1
145.04913	1.5
149.02357	7.5
149.05981	2.3
150.03178	1.0
151.03908	20.4
153.01840	1.4
153.12738	5.1
157.06490	0.6
159.04462	2.3
161.05978	1.0
163.03909	25.2
165.05481	0.7
169.06490	1.6
171.13794	0.7
173.05951	1.0
175.07590	0.9
177.05528	1.1
179.03345	3.0
183.04382	0.9
185.05913	0.8
187.03893	3.1
187.07573	0.7
196.09935	0.8
197.05962	3.5
199.11296	0.6
201.05374	1.5
205.04955	2.0
213.05431	1.4
215.06998	2.7
217.05003	0.6
217.12231	0.9
225.05534	1.4
229.04962	1.2
229.13405	0.7
230.05106	0.6
231.06551	4.3
235.13275	4.9
241.04956	1.0
243.06575	4.8
245.04405	0.7
247.06090	0.8
253.14244	1.4
259.06039	5.8
261.07635	7.0
271.06024	10.1
271.10620	0.6
271.15207	0.8
289.07068	16.7
289.11929	0.8
289.15500	1.3
297.48816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85740	3.8
69.53436	32.9
70.06593	7.3
73.28306	4.2
74.76685	4.2
81.03411	6.3
81.04502	4.4
84.08116	5.4
85.02909	7.7
94.93008	6.2
97.02885	13.5
127.03937	51.2
138.99608	6.3
144.10176	14.2
168.40712	4.2
185.03984	5.0
200.52185	5.2
229.02945	5.0
230.13823	8.4
289.06598	39.5
289.08978	100.0
289.12589	53.5
289.17502	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	287.2007
Annotation	Androstenedione
Peak:m/z	Relative Intensity
55.05518	4.1
59.04990	1.0
63.00020	0.8
65.03966	1.0
65.58083	0.8
67.05513	2.5
69.03429	1.9
69.06790	0.7
69.07077	8.7
70.64595	1.1
70.64926	1.9
71.08638	0.8
79.05502	4.1
81.07060	5.7
83.04986	0.9
83.08627	2.7
91.05476	4.6
93.07035	6.3
95.04982	5.2
95.08617	14.0
97.00528	1.1
97.06546	2.0
99.08134	0.7
100.88689	0.8
103.08942	1.1
105.07040	6.7
107.04962	1.0
107.08601	12.1
109.06521	3.6
109.10162	2.4
111.04457	1.2
113.05981	0.9
119.08585	3.7
121.06506	3.9
121.10141	6.1
122.07268	2.0
123.08073	15.9
123.11721	1.7
125.06016	1.3
131.08537	2.4
133.06555	1.1
133.10132	3.0
134.07301	0.9
135.08073	12.8
135.11699	7.2
137.09659	1.4
139.07578	2.0
142.07832	1.2
143.08569	2.0
144.09230	1.0
145.10139	4.5
147.08066	2.1
147.11699	3.1
148.08902	0.8
149.09647	4.2
151.07599	1.4
156.09306	1.5
157.10167	5.6
159.08090	1.1
159.11729	2.6
161.09654	2.3
161.13260	1.1
163.11197	5.0
163.14867	1.3
165.12782	1.0
171.11723	2.9
173.13274	1.6
175.11203	1.9
177.06761	3.0
181.12239	8.6
185.13289	2.2
189.12724	1.5
191.14330	25.5
199.11250	3.0
205.15889	2.8
211.14908	1.4
213.12753	1.3
217.12244	2.8
227.17889	1.7
268.64172	0.8
269.19016	3.1
287.05499	5.8
287.20078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05050	1.2
59.05037	0.5
64.48357	0.5
68.05041	0.7
69.03413	0.9
70.06596	100.0
71.04998	0.6
71.51118	0.7
72.08179	0.7
84.04511	3.2
85.02904	1.3
86.06075	0.7
86.09689	1.1
88.00202	0.5
93.05515	1.0
97.02912	0.7
100.03990	1.1
101.07153	1.1
102.05504	0.6
106.06619	2.6
110.07192	0.8
112.07610	93.5
114.05556	1.6
116.07095	1.0
120.07342	0.6
122.02690	0.7
123.04449	3.2
124.03941	2.5
124.07610	3.8
129.06612	1.8
130.04993	1.9
140.07071	66.2
147.04437	0.7
147.07658	1.3
154.04428	0.6
157.09714	5.2
159.03064	0.6
165.05502	1.3
168.06718	0.6
185.09230	13.9
187.10785	1.0
190.92540	0.9
208.03143	0.6
240.13455	1.7
243.06061	0.8
244.15338	0.8
268.12906	1.5
269.11414	0.6
286.07388	2.6
286.13959	10.8
286.17111	0.9
286.20224	0.7
287.10922	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
51.52131	0.3
55.05505	0.9
57.03435	0.3
60.64460	0.3
60.64795	0.3
63.00030	0.3
67.01858	1.1
67.05505	2.1
68.99789	0.8
69.07063	1.0
69.19602	0.7
69.20016	2.2
71.04966	0.4
79.05476	1.2
81.07051	3.0
83.04979	0.8
84.08124	0.4
85.02911	0.3
85.06539	0.3
89.03916	0.5
91.05470	1.1
93.07043	2.2
95.04951	0.6
95.08611	2.2
97.06556	0.3
98.97520	0.5
98.98460	0.3
99.04430	0.4
105.03412	0.6
105.07036	1.4
107.04959	0.9
107.08583	1.6
109.06529	0.4
109.10133	1.2
117.03365	0.6
119.08569	1.1
121.02873	1.4
121.06515	0.4
121.10142	1.3
123.08030	0.4
123.11673	0.5
127.03930	0.4
131.08542	0.6
133.10152	0.6
135.04448	2.5
135.08081	0.4
135.11658	0.6
137.02367	1.4
137.09592	0.4
145.10127	1.0
147.04338	0.4
147.08092	0.4
147.11696	0.5
149.09636	0.3
149.13232	0.7
153.01825	9.6
157.10190	0.4
159.11699	0.7
161.02280	0.7
161.05952	0.3
165.01807	0.5
171.54211	0.3
173.13235	0.4
181.12346	0.3
185.05957	0.7
203.03490	0.5
213.05446	0.7
215.18117	0.3
226.10976	0.4
227.11766	0.5
227.14282	0.6
233.18997	0.3
241.05006	1.4
241.09749	1.6
241.13219	0.8
251.20001	0.5
258.05240	0.6
259.06082	0.3
269.04449	0.5
269.12897	3.0
287.05499	100.0
287.13821	3.7
288.05820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03933	2.4
55.05519	13.8
57.07079	5.3
67.05502	21.0
69.07071	49.0
71.04978	4.7
79.05487	12.9
80.23467	2.3
81.07056	32.1
83.04955	3.3
83.08605	8.5
91.05477	18.8
93.07047	25.4
95.04961	9.1
95.08608	37.3
97.05962	2.9
97.06528	18.7
97.10157	7.7
98.20723	4.2
99.08118	2.6
105.07036	57.9
107.08590	33.6
107.85847	2.1
109.06519	20.8
109.10164	26.3
111.08105	4.0
117.06998	6.4
119.08588	77.3
121.06503	8.7
121.10147	26.8
123.08076	5.9
123.11720	13.1
128.06172	3.9
129.06915	2.6
131.08551	7.6
133.10133	48.7
135.08043	9.4
135.11691	15.2
137.09604	6.3
143.08553	8.4
145.06436	2.7
145.10129	14.3
146.07271	7.8
147.08015	3.0
147.11720	16.1
149.09625	2.6
149.13246	3.1
151.11143	2.4
155.08546	3.3
156.09354	2.3
157.10115	6.2
159.11710	9.2
161.09622	100.0
161.13223	6.2
162.39902	2.1
164.62599	2.0
169.10138	5.9
171.11656	5.8
173.13225	7.3
175.13313	3.1
175.14827	54.6
177.16382	11.6
183.11700	4.3
185.13277	8.9
188.55429	1.9
189.16331	3.3
193.15829	10.3
197.13274	7.5
199.14873	3.7
201.16370	4.6
203.18001	2.8
209.16609	2.1
211.14828	9.9
215.17966	6.8
225.16367	3.3
229.19710	2.5
267.21057	10.6
285.07550	4.6
285.22125	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
54.30452	2.7
55.05516	11.3
57.03437	6.0
57.07068	3.2
63.00051	5.5
63.05615	2.7
67.05504	29.2
69.03419	9.4
69.07071	18.3
70.06565	3.2
71.04987	6.0
71.10786	3.2
79.05489	16.2
81.03418	11.8
81.07060	52.7
83.04989	8.8
83.08624	6.3
84.70918	2.5
85.02890	5.0
85.06547	7.5
91.05482	22.6
93.07050	43.0
95.04988	15.2
95.08608	33.5
97.06530	20.4
99.04484	4.7
105.07038	47.6
107.08610	39.2
109.06520	21.4
109.10151	27.2
111.04455	4.7
111.08096	8.6
117.07030	4.4
119.08606	41.2
121.06523	8.5
121.10152	21.7
123.08080	21.0
123.11723	7.9
125.05993	3.5
125.09637	6.0
127.07537	12.9
129.07008	8.3
131.08574	14.8
133.06467	3.6
133.10144	21.3
135.08054	12.3
135.11696	3.0
137.05983	7.8
137.09615	9.9
137.13234	3.6
139.07565	7.7
141.05510	3.2
141.09088	3.3
142.07770	7.5
143.08569	7.2
145.10130	11.5
147.08051	5.8
147.11690	100.0
149.09637	6.1
149.13286	19.4
151.07536	3.5
153.06776	2.8
156.09425	4.3
157.10115	15.5
158.10925	2.9
159.07953	5.3
159.11702	3.5
161.05942	4.4
161.13243	11.3
163.07565	6.9
163.14870	6.3
165.12770	71.7
166.07826	3.0
167.14334	5.2
170.49289	2.6
171.11691	9.6
173.09718	3.1
173.13295	8.3
175.11188	40.4
179.14272	3.7
183.11748	4.0
189.12729	21.8
191.14336	10.1
193.06435	5.2
193.12257	80.8
197.15594	2.9
199.11201	6.8
207.13821	15.6
209.15300	13.3
211.11386	3.3
211.13313	10.0
217.12213	32.9
221.05991	5.5
225.09142	11.7
225.14796	12.9
235.13304	61.0
242.05801	21.1
249.14880	4.8
253.08691	21.5
253.14369	8.3
267.15771	24.0
270.05249	12.6
285.07599	81.5
285.11343	20.7
285.18402	18.6
285.22043	8.5
285.29941	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	284.0992
Annotation	NSC19994
Peak:m/z	Relative Intensity
55.01871	0.3
55.03001	0.2
57.03445	0.4
69.03427	0.3
70.06590	0.2
70.47885	0.5
73.02892	0.3
85.02908	0.3
85.29685	0.2
85.65522	0.1
87.04458	0.5
93.07030	0.2
97.06557	0.2
98.06915	0.2
99.61317	0.2
105.05452	0.2
109.05144	0.3
110.03534	2.1
125.05997	0.2
128.04558	0.5
134.04604	0.3
134.79582	0.2
135.03030	5.9
152.05685	100.0
153.04095	4.4
190.90887	0.2
196.14145	0.3
242.14703	0.4
262.13776	0.2
265.81854	0.2
266.19504	0.6
284.09738	0.2
284.16003	0.2
284.20544	0.7
290.74142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03948	3.4
55.01869	3.8
55.05516	25.3
57.03442	43.4
60.85686	1.2
61.15101	1.1
65.03941	2.1
67.05510	39.8
69.03441	6.1
69.07067	9.7
69.88821	5.3
70.06575	2.2
71.05002	9.7
72.77055	1.1
79.05498	37.4
81.03426	86.1
81.07068	40.2
82.21279	1.2
82.91854	1.3
83.04991	18.9
83.08155	1.9
83.08627	26.0
85.02914	66.3
85.06531	5.3
85.07019	1.3
91.05485	42.5
93.07050	25.3
94.88117	1.2
95.04978	38.9
95.08617	20.0
97.02843	2.7
97.06554	8.2
97.10165	3.9
99.08074	2.3
105.04582	1.7
105.07043	33.2
107.04955	10.1
107.08607	11.7
109.06530	9.1
109.10147	5.4
110.07218	1.5
111.04438	4.5
111.08086	17.7
113.06007	7.3
115.05516	1.6
119.04965	1.2
119.08588	28.7
120.08144	2.2
121.06510	2.9
121.10157	17.9
123.08072	6.2
123.11710	3.2
125.06062	1.5
125.09636	2.4
127.07501	2.1
128.06250	1.3
129.06993	13.4
130.66122	1.2
131.04988	1.3
131.08572	15.5
133.06488	4.6
133.10138	13.9
137.09608	2.8
142.07799	3.1
145.10106	1.9
147.08055	5.0
147.11697	24.7
149.09618	8.9
151.07518	3.6
157.10132	19.0
160.79776	1.3
161.06030	1.6
163.11165	1.8
165.07124	1.4
165.12773	5.1
175.11195	20.7
189.16327	1.6
193.12262	85.0
207.13878	2.0
210.06812	1.4
211.13309	60.8
225.09152	3.3
229.04956	1.5
229.33302	1.2
242.05725	6.0
249.18549	1.7
253.08612	5.9
257.04337	2.2
267.16025	11.5
282.07373	1.4
285.04120	4.6
285.07629	12.5
285.11606	6.9
285.16980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03950	3.4
55.01873	2.6
55.05519	11.2
57.03410	2.8
57.07075	2.7
67.05508	22.2
69.03438	12.1
69.07070	11.6
70.68965	5.8
71.05003	17.5
79.05496	20.9
81.07060	40.6
83.04995	5.0
83.08604	3.5
91.05486	29.0
93.06496	2.7
93.07053	43.8
95.04961	13.7
95.08621	16.9
97.06522	7.6
103.05459	2.9
105.07037	56.1
107.04985	3.5
107.08598	34.7
109.06519	11.9
109.10172	19.3
110.41470	2.0
111.08105	3.6
115.05456	3.1
117.07040	14.9
119.08588	47.5
121.06512	9.9
121.10147	100.0
123.08061	10.4
123.11699	7.3
128.06250	4.0
129.06985	7.4
130.07811	11.0
131.08565	34.0
133.07706	2.8
133.10138	38.5
135.08070	12.0
135.11682	11.7
137.09572	3.7
141.06908	2.3
142.07784	4.8
143.08582	23.2
144.09370	2.7
145.10121	57.1
147.08029	3.4
147.11659	6.8
149.13254	3.0
151.11159	2.2
155.08537	4.2
156.09363	2.3
157.10115	18.3
158.10896	5.7
159.11693	16.0
161.09616	34.7
161.13191	4.1
163.11177	6.6
169.10114	3.9
170.10852	3.2
171.11668	15.7
173.09615	3.5
173.13277	57.4
175.11194	4.5
175.14821	8.1
179.08603	3.6
181.10123	4.5
183.11652	4.7
185.13274	7.5
187.11320	2.6
187.14868	11.2
189.12747	2.8
193.10216	2.4
194.10875	2.9
195.11740	6.5
195.13808	4.1
196.12379	2.0
197.13223	2.7
199.11125	2.7
199.14812	7.3
201.16322	2.5
209.13240	12.4
211.14832	2.1
213.12813	2.7
213.16385	3.2
223.14790	5.9
225.16301	3.0
227.14331	6.4
229.50499	2.0
233.90747	2.1
239.18137	2.1
241.14304	7.7
247.21397	1.9
255.21130	4.8
265.19489	14.6
283.15714	3.4
283.20569	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
55.05509	10.6
57.03419	1.8
57.07064	3.9
58.75859	1.1
59.04971	1.4
65.03933	1.3
67.05505	18.8
69.03098	1.5
69.03436	22.4
69.07070	16.7
70.12212	4.4
71.04977	4.8
79.05496	12.3
79.95737	1.1
80.16340	1.2
81.06596	1.7
81.07058	30.9
82.88708	1.2
83.04977	7.1
83.08612	7.2
85.06534	3.9
87.04489	2.0
88.14906	1.2
89.06034	3.7
91.05483	15.1
93.06487	2.1
93.07049	30.3
95.04975	75.1
95.08611	40.4
95.09544	1.6
97.06513	5.0
97.10161	1.2
101.06026	3.1
105.06405	2.1
105.07039	27.6
107.04940	1.9
107.08604	20.8
109.06529	9.1
109.10169	22.6
111.08100	6.4
115.05430	1.7
117.07007	7.2
119.08582	21.9
121.06512	15.1
121.10155	25.8
123.08072	3.9
123.11707	21.8
125.05941	1.2
128.06230	3.2
129.05502	3.4
129.06996	4.6
129.09135	2.1
130.07793	3.9
131.04913	2.6
131.08574	10.6
133.08583	1.9
133.10141	22.8
135.08083	8.5
135.11710	11.1
137.05885	1.2
137.09642	2.7
139.07527	3.6
139.11169	4.7
141.06927	1.5
142.07745	5.0
143.08578	14.4
144.09314	3.1
145.10133	30.0
146.07248	1.4
147.08047	5.7
147.11693	6.2
149.09587	3.0
149.13263	3.3
151.11159	4.2
155.08549	3.9
156.09320	3.8
157.08711	1.9
157.10146	14.6
158.07274	2.7
158.10892	2.1
159.08017	2.5
159.11711	14.6
161.09631	19.6
161.13246	4.7
162.84193	1.2
163.11234	6.0
167.07152	1.8
167.08524	2.3
169.10100	5.4
170.10957	1.8
171.11716	8.7
172.08839	3.5
173.09633	41.4
173.13228	7.4
175.11230	7.9
175.14850	11.5
177.12770	4.6
179.08548	4.5
181.10132	4.2
181.12279	1.6
183.11694	3.6
184.12483	1.4
185.09641	5.1
185.13206	5.1
187.11220	7.6
187.14816	8.5
188.11981	2.9
189.12762	14.7
194.10869	3.3
195.11691	6.4
195.13806	11.4
197.09538	1.3
197.13252	4.2
198.10349	2.1
199.11301	5.9
199.14828	4.3
201.12677	3.5
201.16380	7.8
203.14294	7.0
205.12212	2.2
209.13295	9.9
210.14139	1.3
211.14796	1.2
213.12738	6.9
213.16304	3.3
215.14343	2.1
223.13107	2.8
223.15007	1.6
225.16496	2.6
227.12404	8.0
227.14345	7.7
239.17847	1.3
241.14279	26.7
241.16399	1.6
241.19284	1.2
243.63116	1.2
251.17928	1.3
255.21019	1.7
265.19467	8.3
283.15741	12.6
283.20560	100.0
283.70865	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	283.2056
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
52.14601	1.0
53.03933	4.0
55.01854	2.8
55.05517	9.7
57.07062	2.3
59.04992	1.2
65.03925	1.7
67.05505	17.0
69.03426	11.8
69.07067	13.1
69.98154	4.8
71.04993	19.7
73.65455	1.0
77.03916	1.1
79.05085	1.1
79.05497	18.0
81.06602	2.3
81.07059	41.5
83.04983	5.5
83.08602	4.9
85.06511	3.2
89.06042	1.8
91.05481	27.0
93.07047	40.8
95.04967	11.2
95.08611	16.4
97.06525	5.7
99.08070	1.2
103.05446	1.8
105.07034	58.7
107.04952	2.2
107.08598	34.6
109.06518	7.4
109.10154	17.8
109.57043	1.0
111.08064	4.2
115.05461	3.1
116.06250	1.2
117.07014	15.2
119.04953	1.0
119.08586	40.8
120.05592	1.2
121.06551	6.9
121.10146	100.0
123.08061	7.4
123.11742	6.8
125.09617	1.5
128.06227	4.8
129.05431	1.4
129.06981	6.9
130.07817	9.0
131.08569	31.6
133.07527	1.9
133.10138	36.3
135.08067	10.8
135.11710	11.9
137.09605	2.4
139.07498	2.1
141.06989	2.8
142.07791	5.2
143.08569	19.5
143.09644	0.7
144.09332	4.7
145.10132	47.0
146.07254	3.0
147.08014	3.0
147.11668	6.7
149.09570	2.8
149.13188	2.9
151.11125	3.1
155.08560	2.9
156.09334	5.6
157.10132	16.0
158.10919	8.2
159.08069	2.1
159.11690	14.5
161.09627	27.5
161.13252	3.9
162.09993	1.3
163.11201	8.1
165.06918	2.1
167.08603	3.1
169.10147	4.6
170.10858	2.2
171.11688	11.7
173.09653	2.0
173.13268	56.5
175.11166	3.2
175.14819	6.4
177.12790	4.0
179.08589	3.3
180.09329	1.2
181.10112	3.8
183.11685	3.9
185.13283	5.4
187.14830	9.4
189.12668	2.1
191.14272	2.2
193.10086	2.2
194.10889	3.0
195.11827	5.5
195.13647	5.6
197.13260	4.3
199.11157	1.8
199.14885	7.3
201.16383	2.3
203.14307	1.7
207.11694	1.4
208.12328	2.2
209.13261	10.6
210.13986	1.5
211.14745	2.1
213.12727	3.2
213.16360	3.5
213.64188	1.3
215.14337	1.3
223.14919	6.6
225.16370	3.2
227.14284	5.1
239.17886	1.7
241.14262	10.8
255.21144	6.8
265.19543	15.1
283.15414	4.4
283.20538	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03943	1.5
55.01859	1.4
55.05318	0.6
55.05517	6.2
57.03437	0.9
57.07079	3.7
59.05000	1.1
65.12295	0.8
65.68889	0.7
67.05177	0.9
67.05510	10.4
68.44441	0.7
69.03426	6.2
69.07074	10.5
71.04987	3.2
79.05492	10.4
79.79834	0.7
81.07059	20.0
83.05007	4.2
83.08611	4.6
85.06531	3.2
89.06037	0.9
91.05491	12.7
93.07049	19.9
95.04980	7.7
95.08614	20.6
97.06518	3.0
97.10176	1.1
98.21513	1.7
99.08127	0.7
101.06033	1.0
103.05436	1.7
105.07038	30.8
107.08597	18.7
109.06511	5.1
109.10162	10.5
111.08069	3.6
111.70187	0.7
115.05421	0.7
117.07021	6.7
119.05006	1.2
119.08591	26.0
121.06536	10.5
121.10155	26.1
123.08087	3.5
123.11720	7.1
125.09639	0.8
128.06235	3.2
129.05463	1.1
129.06987	5.1
129.09116	1.0
130.07797	2.0
131.08575	20.4
133.10141	18.7
135.08054	8.9
135.11685	7.5
137.09575	1.8
137.13255	1.9
139.07524	1.7
139.11156	1.3
141.06950	1.3
142.07755	5.4
143.08557	15.1
144.09325	3.0
145.10132	23.0
146.07289	1.7
147.08041	2.6
147.11705	6.7
149.06009	1.1
149.09622	1.1
149.13307	2.0
151.11163	2.0
153.06978	0.9
155.08528	4.0
156.09341	5.0
157.10141	17.9
158.07204	1.0
158.10930	5.3
159.08072	6.3
159.11702	11.5
161.09631	17.0
161.13258	3.5
163.11179	2.3
163.14842	1.2
165.06992	2.4
166.07744	1.6
167.08582	2.4
168.09366	2.4
169.10153	5.1
170.10905	2.9
171.08046	1.8
171.11688	11.0
172.08820	1.8
173.09680	3.7
173.13275	44.5
175.11182	3.3
175.14859	6.2
177.12801	1.7
179.08572	6.9
180.09351	2.5
181.10133	5.6
181.11789	1.0
183.11685	12.1
184.12419	1.0
185.09654	3.6
185.13261	15.7
187.11200	3.0
187.14789	4.4
189.12738	2.7
191.14322	2.5
193.10138	3.8
194.10872	6.7
195.11711	10.1
195.13786	5.2
196.12521	1.1
197.13252	5.2
198.10442	1.2
199.11226	3.5
199.14867	9.9
201.12767	2.9
201.16365	3.2
203.14368	1.8
207.11732	1.9
208.12479	4.9
209.13274	24.0
210.13939	2.0
211.14816	2.1
212.12033	1.0
213.12804	5.5
213.16359	2.8
221.13307	1.8
222.14018	1.1
223.14893	10.8
224.15657	1.7
225.12892	0.9
225.16397	8.2
227.14322	10.7
235.14836	2.6
237.16389	3.8
239.17953	2.9
241.14191	8.0
250.17203	2.1
255.17535	0.8
255.21054	4.4
265.19543	33.6
283.15445	4.6
283.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
51.02357	1.0
53.03945	2.6
55.01865	2.7
55.05510	11.3
57.03440	1.6
57.07063	4.6
59.04979	4.3
65.03940	2.6
67.05505	20.7
69.03437	16.7
69.07072	19.6
69.69265	3.2
69.69680	3.3
71.04998	8.1
79.05140	1.2
79.05495	13.6
81.03394	1.1
81.06594	2.0
81.07057	35.1
83.04987	11.4
83.08618	9.8
85.06541	5.4
87.04465	1.8
89.06026	2.7
91.05479	18.3
93.07049	43.1
95.04977	10.9
95.08615	32.3
97.06555	8.1
97.10163	2.4
97.65172	1.4
98.97563	1.5
99.08072	1.7
101.06013	3.7
103.05489	1.4
105.07028	35.1
107.04958	1.6
107.08602	27.1
109.06543	8.4
109.10159	16.4
111.04433	2.9
111.08098	11.7
115.05473	1.5
117.07032	9.4
119.04913	1.3
119.08580	36.7
121.06512	14.2
121.10147	53.0
123.08060	6.9
123.11699	6.1
125.09608	1.5
128.06212	5.0
129.05453	4.3
129.06973	6.0
129.09102	4.5
130.07774	3.2
131.08562	21.6
133.08592	2.0
133.10138	30.7
135.08058	10.8
135.11685	15.1
137.09610	4.1
137.13235	2.1
139.07544	7.8
141.06947	1.6
142.07765	5.8
143.07031	2.7
143.08536	14.9
143.84006	1.4
144.09366	2.1
145.09070	2.1
145.10126	29.9
146.07269	1.9
147.08046	3.6
147.11700	8.6
149.06006	3.7
149.09590	4.4
149.13239	4.4
151.11230	7.5
155.08521	5.2
156.09348	3.6
157.08612	3.3
157.10123	19.7
158.10902	6.3
159.08041	4.2
159.11676	17.0
161.09621	19.3
161.13232	4.3
163.11130	5.4
165.07030	1.8
166.07768	1.5
167.08502	2.8
168.09308	2.1
169.10136	6.2
170.10889	1.3
171.06662	1.3
171.08022	2.8
171.11708	10.3
173.09628	3.3
173.13272	50.7
175.11171	5.1
175.14798	5.8
177.12729	11.0
179.08560	7.0
180.09308	3.1
181.10095	6.0
183.11647	9.6
184.12573	1.6
185.09666	2.9
185.13263	10.1
187.11201	3.5
187.14845	7.5
189.12761	3.3
193.10085	2.6
194.10883	8.3
195.11699	9.0
195.13791	25.9
197.13249	6.4
199.09567	2.0
199.11209	3.9
199.14832	8.9
201.12729	2.3
201.16356	3.7
205.12260	2.8
207.11668	2.2
208.12460	3.9
209.11459	2.0
209.13246	18.8
210.14044	1.7
211.14825	3.0
213.12762	7.0
213.16292	3.0
221.13249	2.0
223.13034	2.9
223.15082	6.5
224.15588	1.6
225.16383	7.9
227.14334	9.7
235.14813	2.5
237.16342	2.1
239.18019	2.2
241.14319	54.7
250.17012	1.6
255.21010	4.4
265.19534	30.0
283.15424	14.7
283.20535	100.0
283.28220	2.5
283.70593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
51.46294	3.7
53.03952	6.3
55.01864	10.7
55.05518	22.8
57.03440	10.0
57.07092	8.7
59.04994	7.3
65.03952	5.1
67.05505	35.4
69.03425	30.3
69.07059	29.7
69.21032	12.1
69.21459	25.9
71.04995	18.1
79.05516	31.6
81.03436	5.5
81.07063	68.0
83.01331	6.2
83.04986	21.4
83.08617	19.4
85.02941	4.0
85.06554	9.1
89.06031	31.9
91.05479	35.6
93.07048	91.1
95.04993	20.0
95.08613	44.6
97.06537	11.7
97.10167	4.5
101.06035	7.1
105.07035	69.2
107.05027	5.6
107.08602	57.1
109.06535	19.6
109.10181	29.6
111.04470	4.1
111.08076	18.1
111.69105	4.0
115.05429	6.4
117.07019	17.4
119.08601	54.9
121.06507	22.1
121.10149	84.9
121.10947	7.6
123.08097	13.1
123.11691	10.2
127.07408	4.4
128.06218	6.4
129.05466	12.5
129.07037	11.5
130.07820	9.2
131.08577	35.6
133.08597	11.8
133.10136	49.8
135.08064	14.8
135.11687	30.6
136.58405	4.3
137.09610	7.2
139.07588	12.5
142.07802	4.9
143.08572	27.5
144.09351	8.8
145.10127	66.2
147.07968	6.5
147.11708	9.6
149.05980	4.5
149.13235	6.0
151.11162	11.3
153.12775	4.9
155.08603	6.2
156.09363	8.8
157.10159	21.5
158.10892	9.9
159.11716	25.0
161.09645	27.0
163.11162	26.6
169.10158	7.3
171.11678	22.3
173.09676	7.4
173.13280	55.2
175.11203	5.8
177.11374	4.3
177.12648	19.3
179.08627	4.4
181.10112	6.6
185.13304	12.6
187.14847	10.0
194.10927	5.0
195.11766	11.2
195.13824	36.2
197.13242	4.8
199.14821	6.8
209.13255	15.3
211.14806	5.4
213.16272	5.2
223.14984	5.3
227.12579	5.5
233.84915	3.9
241.14311	82.3
255.21162	7.4
265.19501	16.9
283.15372	48.6
283.20511	100.0
283.23709	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	283.1907
Annotation	12-trans-Hydroxy juvenile hormone III
Peak:m/z	Relative Intensity
53.03923	1.3
55.01868	2.1
55.05513	7.4
56.72383	0.9
56.99475	0.7
57.03438	1.9
57.07076	5.1
59.04987	3.9
67.05511	7.4
69.03436	8.7
69.07072	8.3
70.62971	2.3
71.04980	2.7
73.06536	0.8
73.18071	0.8
74.70963	1.1
79.05499	6.4
81.06654	1.2
81.07066	13.7
83.05001	7.0
83.08632	5.5
85.02895	1.4
85.06548	14.8
87.04475	1.4
89.06020	1.0
91.05492	5.9
93.06485	1.4
93.07046	20.3
95.04963	7.0
95.08614	15.6
97.06516	3.3
99.04449	2.6
99.08082	2.7
101.06018	1.8
103.05473	0.9
105.07033	9.6
107.04935	1.4
107.08591	9.5
109.06504	5.7
109.10143	5.5
111.04427	2.6
111.08086	7.2
115.03915	1.7
117.07017	2.5
119.04907	1.2
119.08581	8.4
121.06503	4.9
121.10152	9.5
122.07265	0.9
123.07210	1.6
123.08076	25.6
123.11673	1.5
125.05962	1.5
125.09676	1.3
128.06190	0.9
129.05475	3.7
129.07019	1.1
129.09143	2.2
130.07819	0.8
131.08574	8.5
133.06494	4.9
133.10147	6.6
135.08014	4.7
135.11667	6.4
135.12561	0.9
137.09590	1.8
139.07573	6.0
142.07767	0.9
143.07071	2.3
143.08543	1.4
145.10126	6.5
147.08047	1.3
147.11676	4.0
149.05988	3.0
149.09612	9.3
149.13252	2.1
151.07550	100.0
151.11082	5.0
152.07874	0.9
153.12698	1.8
156.13843	1.4
157.08594	2.6
157.10054	2.0
159.08055	2.3
159.11702	4.1
161.09625	0.9
163.07587	1.5
163.11203	4.6
165.09152	5.2
167.07083	1.1
167.10664	1.1
169.10023	1.2
169.13263	0.9
171.11717	2.1
173.09598	1.6
173.13234	6.2
173.79980	1.1
175.11217	1.0
177.09123	10.3
177.12753	5.1
179.10706	1.3
181.10213	1.1
187.14854	4.5
189.12766	18.1
191.10649	2.2
191.14308	2.5
192.11496	1.9
195.10197	6.6
195.13820	18.4
197.13297	1.3
205.12210	1.5
205.15770	0.9
207.13809	39.9
209.11557	1.6
215.14293	4.1
223.13258	3.5
227.12718	1.6
233.15376	9.8
241.11935	1.7
241.14342	28.3
244.19867	1.0
247.16953	2.8
251.16434	55.6
265.18008	24.7
283.15350	14.1
283.19040	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1906
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.03947	6.3
55.01876	18.1
55.05516	72.6
57.03425	6.8
57.07077	4.3
59.04994	4.2
65.03938	2.2
67.05183	3.7
67.05509	50.8
69.03432	22.0
69.07072	33.2
71.05010	10.8
71.53064	3.2
79.05077	2.9
79.05500	48.3
81.03439	10.0
81.07064	44.7
83.04986	27.4
83.08624	100.0
85.02901	6.3
85.06543	10.6
85.06977	2.1
87.04449	4.7
89.06047	4.2
91.05484	42.4
93.07050	90.3
93.07643	5.0
95.04971	24.0
95.07996	3.0
95.08606	59.3
97.02898	2.9
97.06537	32.9
98.98481	5.0
99.04433	3.2
99.08088	6.5
101.05992	5.2
105.07041	20.9
107.04973	20.1
107.08593	31.3
109.06524	16.3
109.10168	23.9
111.04437	9.2
111.08080	48.1
113.06029	2.6
115.03936	3.8
116.06313	2.3
117.07033	20.7
119.08599	31.7
121.02884	3.6
121.06508	26.3
121.10141	24.9
123.08080	12.6
125.09649	7.2
127.11251	2.9
129.05458	8.1
129.07027	3.2
129.09125	6.8
131.08568	16.7
133.06509	3.9
133.10156	15.2
135.08057	22.7
135.11719	19.3
137.05922	5.2
137.09599	13.5
139.03963	3.2
139.07547	21.5
139.11198	15.3
143.07050	4.6
143.08530	4.9
145.06476	4.9
145.10173	15.3
147.08084	4.4
147.11676	9.4
149.05939	5.8
149.09622	12.4
149.13275	7.1
151.07512	11.0
151.11177	18.4
153.09122	2.9
153.12766	10.7
155.07039	8.3
155.10718	2.4
157.08603	6.6
159.11716	10.6
161.09677	4.3
161.13231	5.7
163.07532	7.5
163.11162	15.1
163.14740	3.0
165.09094	5.1
167.10661	4.2
173.09685	4.2
173.13278	3.8
177.12764	17.9
178.97733	2.0
181.12225	3.9
187.11214	3.8
187.14877	18.2
189.12772	2.4
191.10782	2.7
195.10191	2.9
195.13835	29.4
199.09612	5.1
201.16342	6.3
205.12248	4.6
205.15927	3.8
207.10107	2.6
207.13808	3.2
209.11670	4.1
211.14859	3.3
219.17432	2.6
223.13313	6.3
223.16946	78.7
227.12817	7.2
229.15837	8.3
233.15550	2.8
241.14343	69.0
247.16917	42.0
251.16267	4.1
265.18002	64.6
280.55325	2.4
283.15405	39.7
283.19104	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01871	3.4
55.05508	6.8
56.58647	0.8
57.07071	2.7
59.05008	4.6
61.80860	1.0
64.08963	0.8
67.05511	13.8
69.03085	1.6
69.03433	22.4
69.07074	14.0
70.06589	2.8
71.05004	2.4
71.08641	1.0
71.50455	1.1
75.32375	0.8
79.05497	5.1
81.07055	17.3
83.04985	15.5
83.08629	6.4
85.02897	1.5
85.06544	5.4
87.04466	4.0
91.05482	5.4
93.07047	39.9
95.04977	5.6
95.08607	25.7
97.02888	1.4
97.06528	19.5
98.09701	10.0
99.04463	1.3
99.08098	4.5
101.06021	7.4
105.07032	3.8
107.04956	1.6
107.08597	9.4
109.06531	7.3
109.10156	7.7
111.04444	2.0
111.08084	19.6
115.03905	4.8
115.07572	2.0
117.07018	2.2
119.08599	3.5
120.96650	2.3
121.02892	1.3
121.06513	10.9
121.10136	8.1
123.08070	3.1
123.11689	2.2
124.07662	1.0
124.11235	19.4
125.06003	13.1
127.03979	1.2
127.07592	1.5
129.05475	10.4
129.09123	7.8
131.08580	1.3
133.10117	5.6
135.08058	3.6
135.11690	12.2
136.06174	1.3
137.09612	1.7
139.03925	1.2
139.07529	16.0
141.05406	1.0
142.08621	1.8
143.07016	5.0
149.06006	7.1
149.13251	7.0
150.09142	2.2
151.11172	14.7
152.05693	3.0
153.09125	2.0
157.04982	1.7
157.08585	9.5
159.11693	10.8
163.11182	1.4
164.10802	0.9
167.07097	2.0
171.06535	2.9
177.12758	18.1
180.10181	1.6
183.10222	1.5
185.04233	1.2
185.08127	2.7
192.55765	1.2
193.05580	0.9
195.13815	50.5
199.09659	2.5
205.12177	4.2
205.92865	1.1
211.14471	3.4
223.13087	9.4
241.14342	100.0
246.99895	1.3
265.00848	3.0
265.11261	1.5
265.14737	1.3
265.19116	22.5
265.21759	1.5
283.01852	15.3
283.12747	1.2
283.15433	27.1
283.20200	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	282.149
Annotation	N-Methylasimilobine
Peak:m/z	Relative Intensity
67.05487	0.3
71.52547	0.4
81.03400	0.3
81.07036	0.5
85.02898	0.3
97.02884	0.7
97.06517	0.3
110.07162	0.7
113.56944	0.3
114.90868	0.3
120.08115	1.9
126.01086	1.0
130.48030	0.3
134.09668	0.5
165.06964	1.7
178.07762	1.0
179.08549	3.5
180.09299	1.7
181.06377	0.3
187.05550	0.4
189.06920	2.9
190.07773	9.3
190.09517	0.4
191.08559	100.0
192.09073	0.6
193.10133	0.3
201.07042	0.3
205.06392	0.3
205.10124	2.9
207.08067	3.9
208.08833	6.2
209.09612	0.4
218.07246	2.2
219.08055	80.1
220.08829	9.9
223.11143	0.8
226.09334	0.3
229.07640	0.6
233.09645	1.0
235.07576	0.4
236.08325	15.3
239.10770	0.6
251.10678	84.5
252.10898	0.6
282.14886	79.8
283.15237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.19
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
54.22506	0.7
54.55855	0.8
54.58844	0.7
55.01879	1.2
55.05523	5.9
56.96571	0.9
57.03425	0.8
57.07085	1.9
60.80328	0.9
65.03951	0.9
67.05512	8.1
69.03437	7.0
69.07076	7.1
69.76113	4.5
70.06593	1.0
71.04980	4.2
79.05503	8.0
81.07064	8.9
83.04976	3.5
83.08624	3.6
85.06540	2.8
90.83978	1.0
91.05480	14.6
93.07049	11.7
95.04965	4.9
95.08604	9.6
97.02886	0.9
97.06532	1.3
98.21446	1.1
99.04468	1.5
103.05474	1.3
105.07039	27.2
107.04960	1.4
107.08593	10.4
109.06551	4.1
109.10160	6.0
111.08086	2.6
115.05456	1.7
117.07025	5.8
119.04948	1.9
119.08586	27.8
121.06531	4.5
121.10159	11.0
123.08051	4.5
123.11683	1.6
125.05984	1.0
125.09651	1.6
125.98891	0.8
128.06224	7.8
129.06981	4.9
130.07816	1.3
131.08591	12.0
133.10133	17.7
135.08075	5.1
135.11708	1.0
137.05969	1.1
137.09554	1.2
141.06975	4.4
142.07776	5.1
143.08560	21.6
144.09334	1.7
145.06519	1.5
145.10132	8.2
146.07248	1.6
147.08066	7.9
147.11739	4.2
149.09636	4.5
150.02681	2.4
151.02811	1.5
151.07503	1.6
151.59898	0.8
153.06963	1.4
154.07858	1.4
155.08595	6.3
156.09355	9.0
157.10143	11.7
158.07271	0.9
159.08061	13.6
159.11685	7.4
161.09628	17.8
161.13249	1.8
163.11247	1.4
165.07060	2.1
166.07709	1.2
167.08577	4.4
168.09346	2.0
169.10117	10.9
170.10947	1.3
171.08057	2.6
171.11705	14.1
173.09676	3.9
173.13274	3.9
174.10448	0.9
174.90085	1.1
175.11234	2.8
176.11969	0.9
178.07758	1.1
179.08629	2.4
180.09358	1.2
181.10115	4.1
182.10901	5.8
183.11751	6.5
184.12492	4.0
185.09637	2.2
185.13235	1.8
187.11172	3.9
189.12770	9.5
191.08614	1.8
191.10620	1.2
192.09329	4.7
192.91145	1.6
193.10106	7.9
194.10904	1.5
195.08099	0.9
195.11696	7.8
196.08868	1.1
196.12497	2.7
197.09612	2.0
197.13292	11.7
198.14204	1.1
199.11203	4.1
199.14825	4.2
201.12724	1.7
205.10217	1.5
206.10907	7.4
207.11707	12.8
207.13547	1.0
208.12459	4.5
209.13239	4.6
210.10393	2.6
210.92194	1.6
211.11174	4.2
211.14719	4.3
213.12799	3.0
218.10873	1.2
219.11699	2.6
220.12500	1.8
221.11528	1.4
221.13362	10.0
222.14024	2.5
223.11275	2.2
223.14824	11.0
225.12724	9.0
225.16370	1.8
233.13271	8.7
234.14038	2.3
234.92145	4.7
235.14883	3.1
237.16382	3.5
238.13503	1.4
239.14362	3.0
239.17976	3.0
248.15623	7.2
251.14272	1.2
251.18056	0.9
252.93262	1.3
253.15916	0.9
253.19580	5.1
263.18060	16.5
263.20590	1.5
266.16763	1.0
281.19049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02393	1.6
53.03953	8.5
55.01870	5.9
55.05275	1.9
55.05517	31.5
57.03442	34.0
57.07034	1.8
59.04989	1.3
59.73670	1.1
63.20332	1.3
65.03935	4.3
67.05510	88.8
69.03423	2.0
69.07070	16.0
71.04977	3.7
71.20479	2.7
73.06550	3.5
77.03912	1.6
79.05499	100.0
81.03423	15.8
81.07063	63.3
83.04987	36.5
83.08629	9.4
85.02932	1.3
85.06546	3.7
88.69424	1.2
91.05485	69.9
93.07052	79.4
95.04975	28.7
95.08609	42.1
95.09114	0.8
97.02927	1.6
97.06510	7.8
97.10181	7.1
105.04541	2.2
105.07039	53.5
107.04987	8.6
107.08605	19.4
109.06534	10.4
109.10146	9.2
111.08087	1.9
115.05487	1.6
117.07037	10.0
119.08582	31.1
121.06511	4.7
121.10151	6.4
123.08086	11.5
125.99994	1.2
127.07559	3.7
128.06209	3.8
129.07022	19.5
131.08575	4.0
133.06529	1.5
133.10136	16.3
135.08070	2.4
135.11693	4.1
137.09575	1.3
141.09085	2.4
143.08571	12.2
145.10118	14.4
147.08034	4.0
147.11703	43.3
151.11218	1.3
161.09668	7.3
161.13274	16.9
163.11118	1.5
171.11699	35.3
179.14346	2.8
189.12752	13.6
207.13809	18.6
223.67465	1.3
263.16226	1.2
281.17487	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03945	7.8
54.54639	1.1
55.01865	5.3
55.05516	32.6
56.96560	2.2
57.03441	32.8
57.07077	3.5
61.98335	1.4
64.61981	1.1
65.03947	3.7
67.05509	83.0
69.03450	3.0
69.07072	17.8
70.46703	3.8
71.05000	5.8
71.08635	1.4
73.06555	2.2
76.60542	1.1
79.05499	100.0
81.03416	11.6
81.07064	56.9
83.04989	32.5
83.08619	14.4
85.06551	5.2
87.04462	1.4
91.04909	2.4
91.05486	63.5
93.07050	75.7
95.04975	27.7
95.08611	42.0
97.02911	2.9
97.06559	7.1
97.10168	5.0
98.97566	1.6
101.52892	1.3
103.03883	1.3
103.05451	2.0
105.04525	2.8
105.07037	52.7
107.04969	5.2
107.08601	25.0
109.06528	9.7
109.10163	6.6
111.08092	3.7
117.07021	7.7
119.08591	31.8
121.06519	4.1
121.10147	6.1
123.08084	12.1
123.11738	2.7
125.09597	1.4
127.07583	2.0
128.06244	2.7
129.07014	18.0
131.08603	5.5
133.06512	2.3
133.10146	13.8
135.08012	3.0
135.11690	3.7
137.09598	1.6
139.11140	1.2
141.09113	1.4
143.07402	1.5
143.08583	10.6
145.10121	13.4
145.11188	1.6
147.08073	3.4
147.11702	42.2
150.02679	2.3
151.02788	2.2
151.07523	1.8
157.10060	2.2
159.11726	1.5
161.09659	7.1
161.13289	16.8
163.11198	2.6
165.09123	1.7
171.10258	2.7
171.11710	38.4
175.11288	1.5
176.11504	1.7
179.14334	1.3
185.11945	3.6
189.12791	14.3
200.12596	2.8
203.10643	2.7
204.10992	4.3
207.13811	17.2
209.13025	2.1
218.04153	1.2
245.15445	1.5
245.19225	1.3
246.12003	1.3
250.09470	2.9
257.14072	9.2
259.12198	1.3
264.13168	3.7
281.14905	5.9
281.17554	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	9.4
54.55636	1.5
55.01854	4.8
55.05512	28.8
57.03440	31.8
57.07066	5.0
63.37891	1.4
65.03919	5.4
67.05507	88.8
69.07076	17.4
70.15630	3.3
70.15975	5.6
71.04995	3.4
77.03922	2.8
79.05495	100.0
81.03410	11.4
81.07059	68.7
83.04990	32.5
83.08628	9.7
85.06543	4.6
91.05483	60.7
93.07046	74.3
95.04965	24.8
95.08611	42.5
97.06519	6.9
97.10141	6.1
98.20692	2.0
105.04533	4.3
105.07036	53.6
107.04932	5.7
107.08609	19.6
109.06522	7.5
109.10165	10.5
110.86398	1.8
117.07021	10.3
119.07806	3.0
119.08583	35.8
121.06492	4.6
121.10104	8.4
123.08093	8.7
123.11628	1.9
127.07526	2.9
128.06215	3.7
129.07008	18.2
131.08534	4.2
133.10141	13.9
135.11746	2.3
143.08533	9.5
145.10127	14.0
147.08080	4.6
147.11681	40.3
149.02356	2.3
150.02664	3.6
151.02892	2.2
151.87436	1.9
159.11717	2.1
161.09616	6.8
161.13245	12.9
163.11169	2.9
171.11713	36.6
179.14308	2.4
189.12744	15.1
207.13800	14.7
281.17477	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.05509	0.9
57.03428	0.7
57.07077	0.5
67.05496	1.7
69.03416	0.7
69.07069	1.1
70.00735	1.2
70.01138	0.7
70.06586	0.8
71.04981	0.6
72.65020	0.4
73.71576	0.5
75.50255	0.4
79.05497	1.8
79.37010	0.3
81.07059	1.9
83.04988	0.9
83.08613	1.2
84.08165	0.5
85.06551	1.0
91.05465	1.2
93.07039	1.6
95.04946	1.2
95.08592	1.4
95.33530	0.4
95.47624	0.4
98.20751	0.4
98.97648	0.4
101.06037	0.4
101.75174	0.4
103.05501	0.4
105.07030	1.5
107.04958	0.7
107.08575	1.6
109.06524	0.7
109.10156	1.0
111.08049	0.4
113.05982	0.9
119.08594	1.2
121.10159	0.9
123.08069	1.2
123.11696	0.4
125.09642	0.9
130.84572	0.4
131.08505	0.5
133.06523	0.5
133.10130	1.1
135.11740	0.5
137.05873	0.4
143.10677	0.8
145.10117	0.6
147.08052	0.7
147.11688	0.8
149.02414	0.6
149.09628	0.6
150.02654	1.0
151.02795	1.1
151.07553	1.1
153.09175	0.4
155.08519	0.4
156.44951	0.4
156.89058	0.5
161.09596	0.8
161.13292	0.6
171.11667	0.6
175.11212	0.9
189.12764	0.5
191.10580	0.5
192.91193	0.7
193.08545	0.6
203.10786	0.5
203.14488	0.4
207.13875	0.7
210.92201	0.8
216.90935	0.5
221.11703	0.9
228.37198	0.4
234.92226	2.4
249.11023	12.6
249.14861	0.9
250.09390	0.6
252.93173	0.9
263.16504	1.1
263.20175	0.4
281.13611	100.0
282.13934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04647	1.0
55.05504	2.1
55.93515	2.3
56.94305	5.2
56.96560	3.9
57.07070	1.1
69.24108	1.0
70.06581	1.4
70.95869	17.2
71.51720	1.1
71.52107	1.3
71.92986	1.3
72.08133	1.7
72.93404	1.8
72.93789	21.7
73.35359	1.0
74.97153	0.9
76.06793	1.0
78.44282	0.9
81.03433	1.5
81.07019	2.0
82.95858	3.7
83.05003	1.1
84.08152	2.7
85.02917	1.2
88.96910	8.8
89.94047	1.4
90.94821	12.3
91.05453	1.0
98.97582	5.1
100.96886	2.0
102.80864	1.0
102.94816	1.1
104.99269	4.2
106.97924	2.3
111.98470	2.6
113.96403	8.6
116.96387	1.4
116.98627	2.2
118.94341	1.4
125.96156	1.3
126.98355	1.1
128.96382	9.5
131.97469	2.5
132.95856	13.7
133.10098	1.4
134.97392	1.5
136.38351	1.1
136.95366	1.3
140.95094	1.0
142.97897	8.8
144.95839	2.6
146.97383	2.2
149.02341	1.7
150.02617	1.5
150.96906	10.1
151.02853	2.1
152.96379	1.9
155.97404	1.9
156.88995	2.3
156.95837	1.1
158.97391	1.2
160.98996	5.5
161.09595	1.3
162.96873	3.2
169.98964	1.0
170.97403	29.6
172.95316	1.8
172.99007	2.9
174.90044	7.3
174.96898	3.3
184.95369	1.8
186.96802	1.6
188.98465	18.2
190.96338	1.4
191.00050	2.4
192.91110	10.1
192.97893	1.9
193.99039	1.6
196.00496	2.1
198.85413	6.2
198.95168	2.2
198.96875	23.6
202.96323	1.3
204.97935	2.6
207.96965	1.1
209.98508	5.5
210.92174	5.0
212.00102	1.2
215.85625	1.1
215.92848	1.1
216.86499	2.4
216.91026	4.7
216.95961	2.4
216.97968	40.5
221.11746	1.3
221.98499	2.5
234.92203	18.3
234.99055	28.6
239.99548	100.0
252.93211	6.9
257.86844	6.8
257.93756	6.5
258.00668	23.9
275.87827	1.9
280.88419	5.4
281.02234	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	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
57.07075	7.5
65.03931	0.4
67.05501	0.7
69.07071	0.8
69.98188	1.1
70.06616	0.4
74.29211	0.3
76.64487	0.3
79.05473	1.5
81.07070	0.9
83.04985	0.3
84.08161	0.4
86.09708	100.0
91.05473	0.9
92.05027	0.5
93.07059	0.7
95.04970	0.3
95.08569	0.4
97.06545	0.5
98.20873	0.4
103.05465	1.9
105.03425	0.6
105.07027	0.6
108.04478	1.0
109.06525	0.4
109.10130	0.3
119.08647	0.4
120.08105	40.6
121.02882	2.0
121.03997	0.3
123.11678	0.4
124.08722	1.6
129.69464	0.3
137.09601	0.5
138.09953	0.8
147.04382	0.8
149.02345	55.3
156.01134	0.6
166.08644	10.1
167.03395	1.1
192.63930	0.3
204.04364	1.4
205.08481	0.6
229.13429	0.6
233.16463	1.2
279.09247	2.1
279.12119	0.7
279.17072	7.6
279.23221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.9358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93530	13.0
69.03436	0.3
69.67709	0.7
69.68110	1.2
69.95068	0.8
71.01353	0.7
71.93007	5.5
72.93792	9.3
73.94580	3.3
74.95336	0.7
81.07054	0.3
82.06487	0.3
85.02907	0.4
87.96111	0.7
89.53074	0.3
89.94050	9.1
90.94829	12.0
90.95403	0.6
92.01297	0.2
93.07011	0.3
102.94818	1.6
105.93533	2.4
105.97182	0.5
106.94285	0.3
107.08579	0.3
107.95088	18.0
108.95892	1.4
111.04408	0.4
112.07600	0.3
113.96421	0.6
115.95585	6.2
116.05328	0.4
116.96384	1.0
118.94289	0.9
120.95841	0.8
123.94501	0.4
125.95193	0.5
125.96131	9.7
128.96288	0.3
130.04987	0.3
130.96587	0.3
131.95088	0.6
131.97375	0.3
132.95853	0.4
133.96628	9.1
134.97324	0.3
135.94524	0.8
136.95335	0.7
140.07025	0.4
141.93486	0.5
142.94264	0.6
143.95045	0.5
144.95828	1.0
149.96097	0.6
150.96780	0.3
151.97673	14.3
153.95543	0.3
159.43768	0.3
159.94548	7.3
160.95334	0.9
161.96123	2.1
162.88910	0.3
162.96887	0.8
165.99239	1.1
175.94012	0.8
177.95604	100.0
178.96092	0.6
179.95950	0.4
187.97710	1.6
191.97205	0.6
195.96707	2.5
200.97200	2.5
203.97205	1.5
205.95107	21.5
205.98724	1.7
213.95612	1.0
223.96164	6.6
231.96626	2.5
235.16800	0.5
246.97745	0.7
249.94101	0.8
259.96149	0.6
260.09253	0.4
277.17883	0.4
277.97363	0.5
278.09595	0.7
278.18024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.55738	0.6
53.03939	1.1
54.26981	0.6
55.01894	0.8
55.05521	5.0
56.96124	0.6
57.07075	5.5
59.04992	0.8
66.34261	0.5
67.05510	5.1
69.03419	1.4
69.07076	6.7
70.25233	2.3
71.04981	2.0
79.05511	6.3
81.03405	1.3
81.07063	6.7
83.04994	1.0
83.08628	3.9
85.06568	5.8
88.69231	0.6
91.05497	4.1
93.07051	10.9
95.04967	2.3
95.08614	22.4
97.06555	1.3
97.10159	1.0
99.04424	0.7
99.08098	0.7
105.03393	0.6
105.07039	6.8
107.08596	7.2
109.06512	2.5
109.10168	4.8
111.08065	1.8
113.09653	15.4
113.41102	0.5
117.06998	1.7
119.04717	0.6
119.08586	6.6
121.06509	1.3
121.10158	9.3
123.08082	3.0
123.11722	3.1
130.88206	0.6
131.08591	5.6
133.10139	3.9
135.08025	2.2
135.11705	4.2
135.19843	0.7
137.09618	2.2
141.09099	1.4
143.08516	1.4
145.10124	4.3
147.11693	3.5
149.02290	1.0
149.09641	21.4
149.13268	2.1
151.11183	1.7
157.10127	1.8
159.11664	2.4
161.09573	1.5
161.13312	3.5
163.11263	2.9
163.14821	1.4
165.12766	2.1
168.18239	0.7
169.10193	0.7
171.11678	2.9
173.13280	1.7
175.11250	0.9
175.14772	1.2
177.12712	0.7
179.10736	3.6
179.14323	0.9
185.13245	2.0
189.12781	3.2
199.14836	0.9
201.16399	5.1
203.14328	2.3
207.13745	3.6
217.15941	0.9
217.19666	0.8
219.13788	0.7
219.17499	1.8
221.15295	3.9
235.14735	1.1
235.16949	11.1
241.19576	1.9
259.20541	3.9
277.18152	13.3
277.21637	100.0
278.21866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.37096	1.0
53.03939	2.5
55.01877	16.8
55.05516	25.2
57.03424	2.4
57.07060	4.8
57.64482	1.1
64.60497	1.1
65.03915	1.5
65.22386	1.1
67.05508	29.0
69.03412	1.5
69.07069	18.4
71.04992	3.8
71.08633	1.9
71.53004	1.1
79.05494	28.6
81.03413	4.9
81.07057	31.5
83.04998	5.2
83.08621	21.6
85.06544	3.1
85.10179	4.9
91.05489	21.8
93.07047	40.3
95.04969	18.0
95.08610	24.6
97.06544	8.0
97.10146	2.0
99.08096	1.5
99.68075	1.0
105.07043	17.7
107.08601	23.8
109.06522	6.8
109.09494	1.6
109.10168	11.6
111.08090	18.8
113.09641	6.0
117.07033	4.0
119.08582	12.8
119.58355	1.2
121.06501	2.6
121.10152	19.0
123.08054	4.6
123.11724	3.4
125.09611	2.9
129.07010	4.0
131.08549	7.1
133.10130	13.3
135.08176	1.1
135.11690	15.8
137.05952	1.2
137.09596	3.8
143.08597	3.3
143.10605	1.2
145.10132	3.3
147.11699	12.6
149.02377	2.3
149.09627	4.2
149.13249	9.4
151.11177	3.1
153.12820	1.3
157.10126	3.2
159.32602	1.2
161.09592	2.2
161.13260	6.6
163.11249	1.5
163.14832	3.3
165.12791	16.8
171.11711	5.0
173.13280	2.2
175.11153	3.7
175.14859	3.0
177.12727	1.2
179.14313	1.9
185.13228	2.8
189.12727	2.9
191.14322	2.4
193.12198	1.2
203.14511	1.3
207.13823	3.7
221.11615	1.5
221.15335	1.6
231.17442	1.5
231.21095	4.1
233.13278	1.3
235.16907	3.4
241.19542	3.8
249.22141	4.4
259.20599	10.0
277.18137	9.6
277.21637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03945	4.5
55.01876	1.4
55.05271	1.3
55.05515	17.2
57.03441	1.0
57.07061	3.2
62.04472	0.9
65.03944	1.2
67.05508	31.1
68.38016	0.9
69.07069	16.8
69.56116	6.3
71.04996	2.0
73.86845	0.8
79.05495	70.8
81.07058	34.9
83.04426	0.9
83.04987	2.3
83.08631	7.3
85.06570	1.1
91.05484	30.1
92.93538	0.9
93.07049	100.0
95.04946	4.4
95.08005	1.4
95.08607	23.2
95.09179	1.7
97.06544	2.1
97.10166	3.8
101.05992	1.1
105.04509	1.4
105.07031	12.9
107.08602	46.3
109.06517	1.8
109.10170	11.1
111.08115	0.9
117.07007	2.5
119.06039	1.0
119.08586	11.9
121.10151	42.5
123.08045	1.4
123.11691	3.7
125.09620	1.2
129.07033	2.0
129.45059	0.8
131.08575	3.3
133.10135	11.5
135.08098	1.3
135.11700	44.5
139.11182	0.8
142.60904	0.8
143.08566	2.4
145.10138	2.5
146.83272	0.9
147.11705	8.3
149.09624	1.5
149.13261	19.6
151.11160	1.0
157.10185	1.6
159.11755	2.9
161.13281	4.3
163.11183	1.0
163.14795	4.9
165.12746	1.1
171.11694	2.0
173.13300	1.9
175.11229	1.8
175.14868	1.0
179.10724	1.4
181.12248	1.2
185.13316	2.4
189.12747	1.2
195.13806	1.8
199.14873	1.1
207.13931	1.0
208.19725	1.0
213.16415	1.7
221.15376	2.7
235.16949	5.7
241.19569	2.0
259.20599	4.0
277.18509	2.6
277.21646	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03944	4.8
55.01857	1.7
55.05270	1.2
55.05514	17.0
57.07062	3.1
65.03909	1.1
67.05510	32.1
69.07069	15.4
69.72723	1.7
69.73137	3.5
71.04978	2.6
77.03925	1.6
78.96554	1.0
79.05497	65.2
81.07056	32.4
83.04974	2.1
83.08613	8.0
83.59657	0.8
85.06528	2.4
91.05484	24.3
93.07047	100.0
95.04968	5.1
95.08609	24.2
97.06538	1.2
97.10183	4.1
98.20835	1.2
98.57913	0.8
101.06038	1.2
105.04519	2.0
105.07038	13.3
107.08598	46.3
109.10172	8.8
111.08089	1.3
117.07015	2.7
119.08589	11.6
121.10151	41.4
123.08049	1.5
123.11689	2.9
125.09662	0.9
129.06996	2.5
131.08569	4.6
133.10130	10.0
135.08105	1.1
135.11700	40.8
143.08504	2.2
145.10124	3.2
147.11703	6.0
149.09581	1.3
149.13269	20.0
151.11082	1.4
157.10068	1.7
159.11703	2.9
161.09529	1.3
161.13255	5.2
163.14830	4.8
167.10667	0.9
170.44635	0.9
171.11656	2.4
173.13300	2.2
175.14793	2.6
175.84921	0.9
178.61176	0.8
179.10710	1.3
181.12256	1.8
185.13261	2.2
189.12802	1.2
193.12227	1.6
195.13904	2.0
199.07321	0.9
199.14763	1.5
207.13910	1.7
213.16367	1.4
221.15385	3.1
231.17662	1.0
235.16956	6.7
241.19545	2.3
259.20615	4.7
277.18527	3.2
277.21646	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03940	3.8
55.01869	1.3
55.05517	18.6
56.40780	0.9
57.07064	2.5
57.64331	0.8
60.99112	0.9
62.07441	0.8
65.03934	1.6
67.05509	32.6
69.03417	1.0
69.07073	16.3
69.86301	4.3
70.04958	0.9
71.04991	2.1
71.63992	1.0
74.06195	0.9
77.03922	1.6
79.05498	74.9
81.07062	34.7
83.04966	1.7
83.08626	8.6
85.06505	1.9
91.04917	1.0
91.05489	27.6
93.07050	100.0
93.95898	0.8
95.04993	4.8
95.08612	22.5
97.06532	2.4
97.10170	4.3
105.04543	2.5
105.07043	15.0
107.08603	48.1
109.06460	1.9
109.10163	12.0
111.08099	1.7
112.82680	0.8
117.07005	3.7
119.06074	1.0
119.08589	9.0
121.10149	45.6
123.08091	0.9
123.11684	3.2
129.06976	2.1
131.08572	3.9
133.10132	12.3
135.08049	1.7
135.11699	49.3
139.11137	0.9
143.08549	2.2
145.10136	2.9
147.08147	1.1
147.11697	7.2
149.09581	2.0
149.13268	21.3
159.11745	4.6
161.13266	5.6
163.11209	1.5
163.14790	5.5
171.11717	2.5
173.13300	2.9
175.11172	1.9
175.14824	1.3
177.16301	1.1
181.12209	1.5
185.13268	2.4
189.12766	1.2
193.12222	1.0
195.13879	1.5
199.14963	1.5
203.14185	1.0
207.13788	2.4
213.16367	2.0
221.15358	2.9
231.17477	1.3
235.16939	4.6
241.19516	2.3
245.04240	0.9
259.20615	3.8
277.21646	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89882	23.5
67.05511	29.7
70.02951	28.5
70.48373	20.3
70.62477	21.7
71.01891	66.7
74.00668	41.0
78.51223	19.8
84.04510	100.0
84.08154	38.8
84.91163	22.8
88.03981	65.6
116.07113	48.0
120.01208	39.3
121.01696	38.1
130.05035	38.7
138.05524	22.4
162.07669	51.0
174.32198	23.2
176.08250	27.1
209.62183	22.7
234.16673	24.6
259.07324	26.1
260.05997	27.5
265.59256	28.2
277.03070	79.6
277.06790	81.6
277.09177	45.8
294.06427	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	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05970	1.2
53.77102	1.5
54.49715	1.3
62.98266	3.0
66.96477	1.5
71.50362	2.3
78.95641	3.1
82.60252	1.6
84.04494	4.3
84.08147	2.1
94.55157	1.4
101.00904	2.0
104.10760	2.0
118.08668	6.4
134.11784	3.9
160.10855	3.7
162.79530	1.6
172.92229	2.3
178.90448	1.4
179.01549	1.6
235.06482	1.6
273.37341	1.8
277.03290	13.1
277.09003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.01862	1.1
55.05514	3.1
57.07053	0.7
57.77080	0.6
64.29696	0.5
67.05511	1.4
69.03421	0.6
69.06728	0.8
69.07072	8.0
70.77193	1.7
71.04976	1.0
75.46625	0.5
75.50921	0.5
79.05486	1.7
81.07069	2.7
83.08629	1.1
91.05466	2.0
92.76751	0.5
93.07051	6.9
95.04978	1.4
95.08597	4.3
97.06509	0.7
100.47713	0.5
105.07035	3.3
107.04999	0.8
107.08569	3.6
109.06541	1.6
111.04473	0.9
111.08089	23.7
112.47417	0.5
117.07050	1.4
119.08573	2.6
121.06516	2.4
121.10114	3.3
122.07311	3.9
123.08074	14.2
123.11725	1.7
131.08575	1.7
133.10141	3.0
135.08061	16.0
135.11703	1.8
137.09598	0.6
139.07607	0.5
145.10143	3.0
147.08080	0.8
147.11650	1.7
148.08891	0.8
149.09616	2.4
149.13239	1.5
157.10136	0.8
159.11676	1.3
161.09615	1.4
163.11172	2.8
165.12788	3.7
170.83466	0.7
173.13286	1.8
175.14920	0.9
176.11960	4.2
181.12238	15.6
187.11243	0.7
191.14316	100.0
199.14879	0.8
205.12260	0.7
215.17847	1.0
216.56531	0.5
217.15895	1.8
257.18875	1.6
275.20081	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.10010	0.3
51.02380	0.4
53.03945	2.2
55.01878	12.2
55.05515	13.7
57.00901	0.3
57.03444	1.7
57.07074	1.1
59.05006	0.5
65.03934	1.5
67.05510	19.4
69.03439	1.0
69.07072	12.6
69.32057	0.8
69.32475	2.2
71.04991	1.6
71.08636	0.4
73.06565	0.5
77.03917	0.7
79.05499	21.6
81.03429	2.2
81.07062	35.2
83.04990	3.4
83.08630	4.6
85.06564	1.0
91.05487	43.0
93.07049	18.5
95.01331	2.3
95.04971	3.7
95.07995	0.6
95.08614	14.6
97.06537	19.3
97.10187	3.0
103.05483	1.6
104.06288	0.4
105.07037	73.3
105.71303	0.3
107.04958	5.9
107.08595	11.1
109.06531	4.5
109.10159	5.0
111.04475	0.4
111.08100	1.6
113.06027	0.6
113.09631	0.4
115.05457	1.0
116.06287	0.4
117.07022	8.6
118.07848	0.6
119.08588	36.0
121.06506	2.6
121.10152	6.5
123.04424	0.8
123.08080	2.4
123.11689	1.7
125.09665	1.4
127.07578	0.6
128.06219	0.7
129.07013	1.6
131.08578	15.6
132.09311	0.5
133.06529	0.8
133.10138	46.3
133.26279	0.4
135.08075	2.8
135.11699	4.1
137.09581	2.1
139.07550	0.7
141.07030	0.7
143.08559	2.5
145.06488	0.6
145.10130	13.2
146.10904	0.9
147.08066	0.7
147.11699	18.9
149.09637	5.0
149.13269	1.4
151.11208	1.6
153.09126	0.4
155.08588	1.0
157.10159	2.6
159.11702	7.2
161.09676	1.2
161.13254	3.7
163.11192	3.4
163.14783	0.4
165.09178	2.9
165.12761	1.1
167.10793	0.5
169.10175	1.6
171.11748	2.6
173.09596	0.4
173.13245	3.1
175.11226	1.4
175.14870	0.7
177.12782	1.8
179.10783	0.4
179.14313	2.9
181.12302	0.5
183.11768	1.9
185.13321	0.9
187.11229	1.0
187.14824	1.1
189.12732	0.9
189.16434	0.4
191.14365	0.8
193.12257	0.6
197.13263	1.9
201.16405	0.7
203.14372	0.5
205.12241	0.5
211.14745	0.6
213.16475	0.6
215.14383	0.6
215.18050	1.0
217.16035	0.4
219.13808	0.9
219.17508	3.1
225.12828	0.3
229.15889	0.4
229.19556	1.8
233.15361	0.5
233.19043	0.4
239.18004	2.8
247.16930	0.7
247.20583	3.3
257.19006	7.4
275.20084	100.0
275.27859	4.1
276.20587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03948	1.2
55.01881	3.0
55.05513	10.8
57.03439	0.6
57.07074	0.6
65.03946	0.9
66.78340	0.5
67.05508	17.0
69.03432	1.2
69.07072	7.5
69.93590	1.0
69.93986	0.7
71.04989	1.4
74.97210	0.4
76.74170	0.4
77.03943	0.5
79.05498	17.9
81.03413	0.7
81.07063	16.9
82.00645	0.4
83.04984	2.6
83.08628	6.0
85.03915	0.4
85.06522	1.1
88.17993	0.4
91.05486	27.1
93.07049	19.7
95.04979	3.1
95.08611	14.4
95.09080	0.3
97.06530	5.1
97.10162	3.3
103.05453	0.8
105.07038	39.1
107.04960	2.3
107.07877	0.9
107.08600	15.9
109.06513	3.6
109.10163	7.5
111.08099	3.4
115.05472	1.2
117.07021	9.1
119.08589	28.3
121.06519	3.7
121.09329	0.9
121.10155	10.9
123.08075	3.2
123.11710	1.6
125.09621	2.3
128.06190	0.5
129.06979	2.6
129.07835	0.5
130.07776	0.9
131.08582	13.2
133.06459	2.3
133.10143	30.1
135.08061	5.9
135.11719	4.4
137.09630	3.6
139.11205	1.4
141.06992	1.4
143.08556	2.5
145.06445	0.6
145.10135	15.8
146.11008	0.6
147.08076	1.5
147.11697	13.7
149.09630	15.9
149.13258	1.9
151.11179	4.6
155.08586	1.7
156.09348	0.6
157.10133	3.8
159.08127	0.5
159.11700	9.1
161.09621	2.5
161.13280	4.4
163.11179	9.0
165.12798	2.2
167.10625	0.5
169.10139	3.0
171.11681	3.3
173.09615	1.5
173.13261	4.4
175.11156	3.7
175.14807	1.2
177.12730	2.2
179.10648	0.9
179.14330	1.2
181.12260	1.0
182.48804	0.4
183.11714	3.4
185.13263	1.4
187.11185	1.8
187.14816	1.1
189.12746	1.6
191.14316	8.4
197.13232	3.4
197.85201	0.4
201.12737	1.0
210.14124	0.5
211.14854	1.0
213.16397	1.8
215.14323	0.7
215.17946	1.9
229.19531	4.1
233.18996	0.6
239.15721	0.9
239.17960	11.4
247.20628	2.6
257.19037	17.1
258.04446	0.5
275.20078	100.0
275.27747	3.5
276.20471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.01630	1.7
52.77794	1.4
53.03939	2.5
55.05517	14.2
57.03415	2.6
57.07079	3.5
57.96212	1.9
67.05511	17.7
69.03434	2.6
69.07072	11.3
69.39222	6.8
69.39645	5.6
71.05009	12.7
79.05498	17.3
81.07066	21.6
83.04973	7.0
83.08620	6.0
85.06549	10.2
91.05486	38.9
93.07047	27.3
95.04962	5.1
95.08607	19.9
97.06539	5.6
99.04481	1.6
99.08100	2.1
105.07034	48.4
107.08606	23.8
109.06510	15.3
109.10159	12.3
111.08100	16.0
115.05472	1.8
117.07030	12.3
117.79212	1.5
119.08593	43.7
121.06491	5.1
121.10154	34.2
123.08057	5.7
123.11712	6.0
123.94265	1.6
125.09645	2.7
129.07001	7.0
130.07819	3.4
131.08582	29.3
133.10141	48.5
135.08073	22.7
135.11703	4.1
137.09644	13.6
142.07768	5.4
143.08604	10.9
144.09314	2.7
145.09096	2.1
145.10139	27.6
147.11681	19.0
149.09631	7.2
149.13261	2.6
151.11223	2.2
155.08583	4.9
156.09393	2.2
157.10135	27.6
158.10889	9.1
159.11707	36.1
161.09613	6.9
161.13286	6.5
163.11192	6.7
165.12778	2.6
167.24939	1.9
168.09265	1.9
169.10112	5.3
171.11700	11.2
173.09550	2.9
173.13274	52.1
174.14073	6.3
175.11200	7.9
175.14836	7.1
177.12764	8.1
183.11705	11.4
184.12524	2.4
185.13194	2.0
187.11223	5.0
187.14813	9.2
189.12688	2.4
191.14322	8.3
192.15137	2.1
197.13220	8.6
199.14832	17.2
201.12775	11.4
211.14845	2.0
213.16489	7.9
215.14323	2.7
215.17981	4.7
217.15933	5.3
219.13918	2.3
224.33926	1.6
229.15985	2.2
229.19504	3.6
239.17964	14.6
257.19031	28.9
271.63412	2.1
275.20081	100.0
275.27756	5.7
279.95721	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02361	0.5
53.03933	1.2
54.48687	0.4
55.01886	2.3
55.05515	11.4
57.03425	1.4
57.07066	1.9
57.74057	0.4
59.05012	0.5
65.03936	0.9
65.46632	0.4
67.05512	15.1
69.03401	1.1
69.07069	6.8
70.06602	2.3
71.04989	1.5
71.06920	0.6
71.08630	0.8
74.91120	0.4
79.05497	18.2
81.03413	1.5
81.07059	15.0
81.07529	0.9
83.04987	2.6
83.08616	4.9
85.06520	0.8
88.07634	2.5
89.07936	0.6
91.05485	22.4
93.07049	16.8
95.04968	4.9
95.08614	10.6
97.06531	2.6
97.10182	2.2
98.20760	0.8
99.04387	0.5
101.05954	0.4
102.09173	0.5
103.05450	0.8
105.04514	0.6
105.07037	30.4
106.08656	1.6
107.04967	4.6
107.08591	12.5
109.06529	3.7
109.10164	7.2
111.04480	0.5
111.08074	1.9
111.11706	0.5
115.05461	1.0
117.07030	6.9
119.08590	20.1
121.06512	3.4
121.10156	7.5
123.08060	2.0
123.11716	1.1
125.09644	2.0
126.12864	0.4
129.07008	2.3
131.08575	10.5
132.09306	0.6
133.06500	1.3
133.10136	23.2
135.08076	3.9
135.11725	3.8
137.09628	1.5
141.07016	0.9
143.08583	2.5
145.06509	0.7
145.09061	0.7
145.10141	11.5
147.08055	1.1
147.11690	12.4
149.09630	19.7
149.13268	1.0
151.11189	1.6
155.08588	1.0
155.10669	0.6
157.10150	2.6
159.11710	6.9
161.09663	2.1
161.13252	3.4
163.11189	6.2
165.12735	1.2
169.10159	1.8
171.11656	2.4
173.09572	0.7
173.11774	0.9
173.13277	3.6
175.11198	1.6
175.14746	0.7
177.12740	1.9
179.10541	0.6
179.14253	0.6
183.11682	1.8
185.13295	1.1
187.11110	1.0
187.14928	0.9
189.12733	0.8
191.14366	1.0
197.13260	1.7
199.14922	0.7
201.12746	0.7
211.14879	0.7
215.14296	1.0
215.17924	1.5
229.19522	3.2
239.17964	6.4
247.20631	1.9
257.19016	11.3
257.26816	1.7
275.20078	100.0
275.27759	24.7
276.20407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	2.7
55.05511	11.8
57.07065	9.0
58.07384	2.5
67.05502	13.5
69.03426	4.4
69.07063	10.4
69.51622	16.4
70.06572	6.1
71.04996	31.6
71.06915	2.3
71.71558	2.3
75.43311	2.5
79.05518	12.0
81.07054	18.4
83.04962	12.5
83.08621	4.5
85.06564	17.6
88.07630	11.4
89.07967	4.0
91.05485	22.5
93.07050	30.2
95.04971	7.6
95.08060	3.5
95.08620	29.4
96.97761	2.4
97.06506	7.0
102.09129	2.8
105.07042	37.6
106.08698	4.0
107.08604	34.5
109.06536	23.6
109.10184	12.5
111.08095	30.2
115.05408	4.3
117.07003	13.1
119.08598	51.1
121.10159	45.8
121.67625	2.2
123.08062	4.9
123.11716	10.4
127.60836	2.2
128.06171	3.3
129.07019	12.6
130.07755	3.2
131.08583	48.2
133.10147	45.5
135.08061	42.9
135.11697	9.7
137.09641	10.9
141.07092	3.1
142.07794	13.7
143.08574	26.4
144.09326	8.9
145.10147	41.8
147.10664	2.3
147.11693	15.4
149.09615	7.5
149.13257	3.9
155.08562	8.3
156.09299	6.9
157.10152	41.6
158.10918	15.3
159.11708	58.9
161.09689	5.8
163.11209	5.9
169.10150	8.4
171.11678	18.0
173.09789	3.9
173.13281	98.7
174.14027	13.6
175.11206	14.0
175.14833	7.7
177.12787	19.8
182.10959	2.9
183.11732	18.0
184.12480	5.1
185.13316	6.9
185.67639	2.5
187.11157	6.6
187.14886	17.1
189.12836	4.0
191.14351	14.3
197.13316	13.2
199.14842	30.3
201.12755	20.0
209.13345	3.1
211.14749	2.4
213.16415	13.7
214.17166	5.1
215.14354	3.7
215.18001	8.3
217.15837	4.3
239.17926	15.6
257.19037	38.7
257.26660	6.4
275.20102	40.9
275.27777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93530	9.0
56.05030	0.6
61.54935	0.5
69.03395	0.6
69.07063	0.5
70.06585	0.8
71.50838	1.0
71.93020	2.8
72.08141	0.6
72.93796	5.2
73.94560	1.1
75.23739	0.6
79.61869	0.5
84.04507	1.1
84.08139	0.8
86.06064	0.9
88.03994	0.7
88.96898	1.7
89.94057	4.4
90.94824	2.2
98.06047	0.5
105.93511	1.9
107.95055	1.9
113.96384	1.3
114.05543	4.1
116.07019	0.6
118.08627	0.8
123.94537	0.8
128.07109	0.7
128.95108	10.6
128.96190	0.9
130.96654	5.2
131.95047	1.4
132.95818	1.4
138.05499	0.9
144.95819	2.0
146.96161	5.2
148.97719	11.0
149.96152	1.3
157.96591	2.0
160.95366	0.6
162.96872	0.8
170.94304	1.5
173.96085	1.2
174.07657	0.9
180.98215	1.8
185.96132	5.7
186.96855	1.5
197.96123	0.6
202.95116	0.9
203.97142	1.2
215.97202	3.3
220.96255	0.7
233.98239	1.6
257.05966	0.6
275.01993	3.0
275.07535	9.3
275.10989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0916
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
51.02391	0.2
55.01875	1.9
55.05517	0.5
57.03441	0.2
65.03951	0.8
67.01870	0.3
67.05502	1.6
68.99797	1.5
69.03429	0.4
69.07070	0.2
70.06601	0.6
71.52035	0.3
72.08158	0.4
72.43331	0.2
78.92818	0.2
79.05492	0.6
81.03434	0.4
81.07050	0.3
83.04974	0.9
84.04486	0.2
84.08121	0.3
85.02917	0.4
86.09708	0.5
91.05480	0.7
93.03429	1.2
93.07043	1.2
95.04972	2.1
95.08602	0.4
97.02892	0.7
99.04516	0.2
103.05457	3.6
105.07043	0.5
107.04960	49.2
107.08572	0.4
111.04449	2.5
117.07024	1.0
119.04971	0.2
119.08573	0.6
120.08089	0.3
121.02879	0.8
121.06514	4.3
123.04436	0.3
123.08065	0.4
127.03922	0.7
130.09790	0.2
131.04938	1.8
133.06506	0.4
133.10155	0.2
135.04453	0.7
135.08101	0.4
137.09607	0.6
139.03909	100.0
140.04285	0.3
145.06493	7.7
146.11792	0.2
147.04457	0.7
147.08026	0.4
149.05989	27.0
151.03992	0.5
153.05441	0.6
155.06110	0.4
159.11726	0.3
161.05981	1.6
163.03870	1.1
163.07561	2.2
169.05003	2.1
169.06418	0.3
173.05991	2.3
181.05013	0.7
187.07547	0.4
189.09146	0.3
191.07045	7.5
197.12875	0.3
215.07184	0.3
233.08086	1.6
257.07993	1.2
275.04953	0.9
275.09149	8.4
275.20148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05514	1.2
55.93520	2.5
56.05037	1.2
56.38345	0.7
67.05484	0.7
69.03433	1.3
69.07066	2.2
70.06609	3.4
72.08162	1.8
72.93783	1.3
74.00671	2.2
76.02225	0.7
82.06591	1.1
82.99812	0.8
83.06105	0.9
84.04497	4.7
84.08147	8.5
85.02914	1.0
86.06107	1.2
86.09703	1.5
88.03995	3.7
88.18414	0.8
91.05478	1.2
92.25362	0.7
95.50008	0.6
96.04493	1.2
97.02890	1.9
98.03239	0.7
98.06081	1.0
99.02664	3.3
100.02206	0.8
100.03932	0.9
101.00887	9.6
102.05543	0.7
107.95071	0.8
109.02854	0.7
112.07597	1.2
113.02343	4.1
114.05525	3.0
116.07119	0.9
117.03957	2.0
119.01935	24.8
120.01169	2.1
125.00606	1.4
125.07123	1.6
127.02299	2.4
128.07076	0.9
128.95081	4.1
129.10226	1.2
130.05009	1.7
130.96681	2.0
137.03000	4.9
138.05457	1.2
140.01637	1.0
140.05293	0.8
140.07082	1.6
141.03940	1.5
142.03487	1.1
142.04958	0.8
143.01787	1.1
144.01175	1.6
145.03496	10.0
146.96132	2.5
148.97702	4.2
154.04994	0.9
159.05026	10.0
161.03014	1.2
162.02193	4.8
163.04529	2.5
163.88776	0.7
167.11806	1.4
169.03447	1.5
170.02730	2.8
170.94331	3.7
171.01334	2.0
177.06102	3.1
182.06619	0.7
185.03000	2.2
186.02225	1.6
187.04463	5.3
189.02405	3.6
200.07495	0.8
203.04036	3.4
205.05627	1.8
207.03444	1.5
211.05409	1.9
213.02477	2.5
229.06464	3.8
231.03484	2.8
233.01433	1.1
255.56105	0.8
257.00519	1.4
257.05997	1.7
257.11377	1.0
274.27563	0.8
275.01651	39.0
275.05286	13.8
275.07382	100.0
275.10999	33.1
293.03479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93533	67.2
56.71632	1.9
60.14984	2.0
63.25092	1.8
71.50986	1.9
71.93012	17.0
72.93789	25.0
73.94563	7.8
88.96904	11.8
89.94048	25.8
90.94826	8.9
101.00899	5.2
105.07031	3.7
105.93511	12.6
107.95092	20.7
113.96400	10.2
114.05467	3.4
116.81955	2.1
119.01940	11.3
123.94548	8.3
125.96126	8.0
127.02401	2.6
127.86637	2.2
128.95107	98.2
128.96127	4.6
130.96663	38.1
131.95074	3.8
132.95804	2.5
137.02954	3.0
144.95830	5.8
145.03484	4.8
146.94983	3.0
146.96149	62.9
148.97720	100.0
149.96098	2.4
157.96614	4.8
159.05040	5.7
161.96107	2.7
169.97697	2.7
170.94301	8.1
171.99281	3.1
180.98196	4.3
185.96121	7.8
186.97092	2.3
189.02484	2.8
201.19395	2.1
202.95073	11.2
203.03969	3.0
215.97101	4.6
220.96205	4.8
233.98181	3.9
274.27411	2.2
275.01685	12.7
275.04883	3.0
275.07373	24.6
275.10953	17.7
275.20111	4.3
276.28867	2.2
276.74814	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	273.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01871	4.4
55.05518	15.2
57.03426	3.6
57.07074	2.1
59.04991	2.0
59.19782	1.6
67.05506	80.3
69.07063	14.5
70.77003	4.5
70.77351	1.9
71.05003	10.6
79.05499	37.4
79.05968	2.6
81.07059	79.9
81.07538	4.6
83.04995	7.1
83.08617	9.0
85.06542	13.6
90.60719	1.8
91.05476	25.2
93.06482	4.3
93.07049	65.3
95.04977	18.7
95.08611	100.0
97.06522	7.9
97.10190	2.9
99.04444	2.8
99.08115	3.7
105.07035	24.7
107.07885	2.7
107.08603	49.1
109.06519	10.3
109.10165	59.0
111.08047	3.6
113.09639	22.8
113.89052	2.0
117.07026	13.5
119.08581	20.3
121.06525	8.8
121.09328	3.3
121.10152	43.4
123.08085	8.8
123.11711	10.0
129.07039	3.8
130.07845	2.1
131.07080	3.0
131.08575	32.4
133.10130	13.2
135.08073	30.6
135.11693	10.9
136.36621	1.9
137.09625	7.9
139.07523	3.8
139.11201	3.1
141.09090	2.5
142.07822	2.4
143.08568	4.7
145.10120	28.2
146.99649	1.8
147.08046	3.5
147.11687	9.0
149.09628	10.9
151.11151	3.8
153.09111	5.5
155.10675	1.8
156.09367	2.3
157.10172	9.4
159.08023	3.4
159.11734	10.8
161.09622	5.0
161.13246	13.6
161.56325	2.0
163.11197	7.1
163.14821	37.1
167.10704	6.5
171.08067	2.6
171.10213	3.0
171.11679	7.9
173.09673	2.9
173.13251	2.8
174.10355	3.1
175.11205	5.9
177.16441	11.1
181.10159	3.0
181.12091	2.9
185.13248	3.6
187.14838	58.2
187.16487	4.0
189.12726	5.2
197.13315	3.3
199.11160	2.5
205.12563	2.1
205.15874	48.1
213.16431	5.5
215.14369	8.6
217.12257	9.3
218.84149	2.2
223.16957	14.4
227.14296	2.2
227.64365	2.0
231.17418	2.2
237.16475	2.7
237.18475	15.2
255.17410	6.6
255.19669	8.4
273.14746	12.7
273.18509	69.1
273.26114	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03947	1.8
53.23571	1.5
55.01863	2.8
55.05507	8.8
56.96533	2.1
57.07072	4.5
58.38985	1.6
59.04995	2.3
67.05502	10.4
69.03421	3.3
69.07060	7.8
71.04979	5.3
71.25657	2.8
72.08133	1.7
79.05493	9.5
81.03412	1.7
81.07056	14.8
83.04991	8.4
83.08607	3.5
85.02897	2.0
85.06528	3.7
91.05478	13.7
91.31650	1.5
93.07047	19.5
95.04971	11.0
95.08617	9.6
97.06525	4.1
105.07037	23.3
107.04973	3.8
107.08597	15.4
109.01030	1.5
109.06530	20.1
109.10169	10.3
111.04445	2.6
111.08063	6.5
115.05439	2.8
117.07006	8.2
118.99432	1.5
119.08588	24.6
120.44085	1.6
121.06476	5.3
121.10159	9.9
123.08042	7.9
128.06268	2.0
129.07013	5.9
130.07764	2.1
131.08571	19.0
133.06519	5.0
133.10130	22.7
134.65552	1.5
135.08058	21.9
135.11664	4.2
137.09590	13.2
138.60249	1.9
139.11197	3.2
142.07756	6.4
143.08559	14.6
144.09335	2.8
145.06470	2.3
145.10118	27.6
147.08084	7.6
147.11688	16.8
149.09630	7.9
151.11183	2.0
155.08595	5.9
156.09325	9.5
157.10135	22.3
158.10921	3.8
159.08070	6.9
159.11696	12.7
161.09564	7.8
161.13277	6.0
163.11195	4.4
169.10130	6.2
170.10889	2.3
171.11713	26.5
172.12505	2.0
173.09613	16.3
173.13254	16.2
174.10435	3.9
175.11168	19.9
177.12799	1.7
181.10043	2.4
182.10829	3.5
183.11667	3.8
184.12450	3.1
185.09639	3.2
185.13245	9.0
187.11205	3.3
187.14809	5.9
189.12747	26.4
189.16393	1.9
190.13664	1.8
191.10690	5.2
193.12253	1.7
195.11717	3.9
196.12500	2.1
197.13274	14.3
199.11163	11.2
203.14342	3.9
211.14835	6.0
212.15651	3.8
213.12785	3.0
213.16362	18.3
215.10606	2.7
215.14333	17.2
217.12238	16.7
227.18001	3.9
229.15825	5.4
231.17436	8.0
237.16252	7.6
255.17470	31.3
269.94626	1.6
273.15500	4.4
273.18497	100.0
273.26126	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.22671	0.9
51.88231	1.0
53.88812	0.9
55.05499	3.6
57.07063	2.7
59.04984	1.5
65.03926	1.5
66.84902	1.1
67.05508	5.3
69.03400	1.3
69.07071	7.0
69.35101	0.9
70.86122	1.2
70.86467	2.1
71.04990	1.0
71.89268	1.1
77.23566	0.9
79.05491	6.4
81.07064	6.0
83.04955	1.4
85.06522	3.5
91.05496	9.5
93.06461	1.4
93.07037	10.0
95.04967	3.5
95.08582	3.4
97.06521	1.7
103.05424	1.3
105.07035	22.2
107.04959	1.2
107.08614	8.6
109.06523	13.1
109.10136	3.0
111.08096	1.3
117.07014	5.9
119.08585	24.8
121.10172	12.4
123.08040	3.4
128.06219	3.6
129.07022	7.1
130.07756	2.5
131.08598	11.5
133.06493	11.8
133.10136	12.9
135.08061	6.4
137.09650	1.2
137.13216	1.1
139.11195	1.4
141.07016	5.7
142.07788	10.2
143.08563	22.8
144.09311	1.3
145.10126	16.8
146.10898	1.2
146.33978	1.2
147.08060	3.0
147.11668	6.9
149.09586	4.8
153.07030	1.6
154.07765	2.3
155.06097	0.9
155.08588	12.5
156.09343	12.9
157.08815	1.3
157.10130	26.9
158.10881	2.5
159.08041	3.4
159.11702	5.0
161.09621	3.7
161.13338	1.1
165.06982	2.3
166.07776	2.6
167.08594	5.2
167.10681	2.8
168.09337	2.4
169.10136	21.7
170.10890	3.6
171.11682	23.0
172.12454	1.7
173.09651	14.6
173.13208	5.2
174.10402	2.0
175.11194	8.1
179.08537	2.7
180.09332	1.6
181.10164	7.4
182.10931	13.1
183.11713	9.0
185.09615	3.0
185.13289	7.3
187.11121	2.9
187.14787	3.6
189.12767	11.5
191.10629	1.1
193.10197	2.3
194.10991	1.2
195.11710	8.4
196.12486	5.5
197.13258	33.0
198.14015	2.8
199.11153	13.6
199.14684	1.4
207.11685	3.9
208.12453	2.1
209.13272	2.3
211.11314	1.1
211.14815	26.5
212.15627	9.2
213.12766	4.2
213.16377	24.1
214.13487	2.7
215.14343	7.7
217.12317	4.0
222.14043	2.9
225.12843	2.7
227.14345	7.6
227.17874	1.4
229.15897	7.1
230.16541	2.0
231.17393	3.2
237.16339	9.8
239.17419	1.3
240.15117	3.2
255.17444	70.7
262.30609	1.1
273.18497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03928	1.3
55.05508	3.2
57.07064	2.4
59.04989	1.0
67.05224	0.5
67.05514	5.2
69.03435	1.1
69.07076	4.8
71.04995	1.6
71.18945	1.5
79.05494	7.3
81.07066	7.0
83.04964	1.1
83.08624	1.9
85.06552	2.6
91.05482	9.9
93.07050	9.3
95.04961	3.1
95.08596	4.6
97.06530	1.7
97.10072	0.5
97.46107	0.5
98.07089	0.5
103.05473	0.8
105.07033	23.2
107.04968	0.8
107.08606	12.0
109.06522	17.8
109.10164	3.0
111.08087	1.8
115.05435	1.8
116.06216	0.8
117.07024	5.9
119.04921	1.3
119.08585	18.8
121.06528	1.1
121.10143	9.6
121.46030	0.6
123.08060	2.3
128.06253	3.4
129.07004	6.2
130.07813	3.1
131.08575	11.8
133.06509	8.2
133.10143	11.2
135.08054	8.2
135.11627	0.7
137.09612	1.1
139.11284	0.8
141.07013	3.1
142.07791	8.3
143.08565	16.6
144.09326	2.2
145.06509	0.8
145.10129	14.1
146.10899	0.7
147.04407	2.9
147.08038	3.2
147.11702	8.9
149.09634	6.9
149.13257	0.7
151.07501	0.8
152.06223	0.7
153.01830	6.6
153.06999	1.1
154.07813	1.9
155.06021	0.6
155.07503	0.4
155.08563	11.1
156.09348	12.6
157.06540	0.7
157.10143	20.1
158.07286	0.8
158.10901	1.9
159.08064	3.7
159.11708	6.5
160.08795	1.1
161.09615	4.8
161.13310	0.7
163.11240	1.4
165.06999	2.2
166.07736	1.7
167.08589	5.7
167.10701	2.3
168.09337	1.8
169.10135	17.3
170.10904	5.0
171.11694	22.5
172.12456	1.8
173.09633	16.2
173.13219	6.2
174.10384	2.4
175.11189	8.9
177.12749	0.9
179.08580	2.1
180.09398	2.7
181.10146	8.3
182.10921	9.6
183.08173	0.6
183.11693	9.4
184.08861	1.8
184.12466	1.6
185.09634	2.5
185.13295	7.2
186.10330	0.7
186.14085	0.8
187.11244	3.1
187.14795	3.3
189.12740	13.3
192.09415	0.6
193.10124	2.0
194.10893	2.0
195.11714	7.9
196.12505	4.3
197.09543	1.3
197.13268	32.6
198.10364	1.0
198.13959	2.7
199.11198	14.9
200.11951	0.7
201.12721	0.6
207.11725	4.2
208.12489	1.1
209.13242	2.9
211.11453	1.0
211.14827	15.3
212.12207	1.1
212.15611	8.3
213.12901	5.3
213.16379	22.4
214.13495	1.4
215.14325	8.7
217.12280	2.5
222.14136	3.3
225.12747	4.5
226.13612	0.9
227.14301	10.7
227.17886	1.3
229.15895	8.5
230.16727	2.3
231.17462	4.1
231.73100	0.5
237.16438	7.8
240.15083	5.8
243.13712	0.6
255.17451	50.1
268.27893	0.7
273.07578	3.7
273.18503	100.0
290.99545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79700	0.5
70.06607	0.7
70.51962	1.9
84.04504	0.6
85.02901	1.0
97.02923	0.7
111.05564	0.5
143.01921	1.0
181.47137	0.5
203.04120	0.6
215.52689	0.5
273.09460	100.0
290.85455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.16774	1.6
55.01862	6.3
55.05517	8.9
57.03431	2.6
57.07059	1.9
67.05514	14.3
69.03423	5.6
69.06729	3.0
69.07070	37.1
69.25126	15.7
71.04977	7.2
72.71857	1.9
76.97702	1.7
79.05500	12.6
81.07053	14.5
81.40897	1.6
83.04974	5.5
83.08631	3.6
85.06534	4.7
88.09587	1.6
91.05482	18.8
93.07050	18.3
95.04964	7.2
95.08599	15.0
97.06527	10.7
98.20771	2.9
99.04469	2.7
105.07023	19.7
107.08591	21.2
109.06519	16.2
109.10155	12.9
111.08088	14.1
113.09642	2.0
115.05438	2.5
117.07018	10.9
119.04912	2.9
119.08584	26.2
121.06503	6.2
121.10134	13.8
122.07269	3.6
123.08070	8.4
128.06218	3.8
129.07022	5.1
131.08585	19.1
133.06499	6.3
133.10124	18.5
135.08060	48.3
135.11691	4.8
137.09615	26.2
139.11208	3.2
142.07803	10.3
143.08591	14.9
144.09372	3.3
145.06467	2.5
145.10133	21.5
147.08054	13.3
147.11681	12.6
149.09644	6.4
149.13330	1.9
155.08572	4.9
156.09325	6.8
157.10135	36.7
159.08086	7.9
159.11723	25.8
160.08830	1.9
161.09636	16.4
161.13275	3.0
163.11183	4.4
167.08617	2.5
169.10175	7.0
170.10873	2.4
171.11685	26.4
173.09669	5.1
173.13272	14.1
175.11205	15.5
175.14900	4.3
177.12712	9.1
177.14081	1.7
179.10748	2.1
181.10059	2.3
183.11711	4.2
185.09636	14.3
185.13324	8.8
187.11200	4.9
187.14813	4.9
188.11835	2.2
189.12738	8.1
191.14323	11.9
195.11639	4.0
197.13203	11.6
198.14049	3.5
199.09482	2.9
199.11201	23.7
199.14899	3.5
203.10632	9.3
203.14354	5.5
211.14806	6.2
213.12779	6.6
213.16371	18.6
215.14316	18.3
217.12346	5.1
222.14014	2.0
227.17921	2.9
229.16037	2.1
230.13106	2.2
230.16830	2.1
231.17447	13.1
237.16447	4.2
245.18898	2.3
255.17448	34.9
255.20364	2.0
255.21292	2.2
273.18524	100.0
273.29822	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.69914	2.0
55.01868	8.7
55.05503	7.5
59.04948	2.2
67.05515	13.4
69.03434	3.7
69.07070	53.7
70.56803	5.8
71.04992	14.7
79.05490	15.1
81.07050	11.3
83.04975	5.6
85.06541	4.4
86.94283	2.5
91.05475	15.9
93.07036	25.5
95.04951	6.3
95.08615	16.2
97.06527	11.3
105.07048	21.1
105.07710	3.4
107.04914	3.5
107.08606	28.7
109.06511	20.1
109.10146	25.0
111.08065	21.0
113.09650	7.0
115.05441	4.0
117.07027	7.8
119.04950	3.2
119.08589	36.0
121.06506	10.4
121.10172	14.8
122.07272	8.4
123.08067	10.9
128.06192	2.4
129.07002	6.8
131.08540	16.9
133.06467	7.1
133.10150	20.8
134.10907	2.8
135.08049	84.0
135.11713	4.0
136.08806	2.8
137.09630	44.5
138.10455	3.5
139.11157	5.9
141.06990	3.1
142.07764	15.2
143.08549	11.1
144.09370	3.7
145.06462	4.1
145.10104	15.5
145.96674	2.6
147.08009	7.8
147.11678	21.0
149.05933	3.2
149.09554	7.2
149.13239	4.1
151.07555	5.4
155.08556	7.4
156.09372	13.9
157.10143	47.9
159.08084	10.6
159.11682	30.6
160.08847	3.6
161.09645	20.3
161.13304	5.7
163.11200	7.2
169.10188	4.6
170.10916	3.3
171.08121	2.2
171.11703	31.4
172.12404	2.6
173.09639	7.1
173.13297	13.8
174.10405	2.9
175.11203	19.0
177.12735	20.1
179.10704	2.9
181.10162	4.5
183.11746	4.4
185.09647	23.3
185.13309	8.1
187.11229	6.1
187.14774	5.5
189.12743	7.7
191.10730	15.5
191.14311	25.0
195.11659	3.3
197.13260	16.8
198.14102	3.9
199.11179	40.1
199.14876	3.3
201.12775	4.1
203.10716	16.6
203.14293	9.3
211.14847	7.9
213.12871	4.3
213.16382	26.7
215.10699	5.3
215.14348	30.1
217.12219	7.4
217.14255	2.8
227.14235	2.7
231.17436	19.3
237.16434	3.7
255.17407	34.8
273.18491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.8
56.21307	0.5
56.96563	0.5
57.07061	0.8
58.65263	0.4
66.89482	0.4
67.05480	0.6
68.99792	6.8
69.07073	0.7
70.06586	0.8
71.04958	0.5
71.52221	0.7
71.61048	0.5
73.64758	0.5
79.05468	0.7
80.89709	0.5
81.07044	1.1
83.04985	0.4
83.08634	0.6
84.96053	0.5
85.10184	4.9
91.05492	0.5
93.07041	0.8
95.08585	0.7
98.97553	0.5
101.02362	0.7
105.07024	0.6
107.08579	2.7
109.06499	0.6
109.10146	1.5
111.08083	1.0
119.08555	0.7
125.09652	7.7
135.08061	1.0
137.06015	0.6
149.09590	0.5
153.09109	45.6
169.08711	1.0
177.09138	0.5
184.08426	0.5
187.76730	0.7
195.10179	100.0
227.12773	10.2
261.97644	0.5
272.10498	0.6
272.17053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.09725	0.2
52.77768	0.2
55.01874	0.4
58.37585	0.2
67.01870	6.1
67.18934	0.2
68.99793	2.4
69.03434	1.0
69.19586	1.1
69.20007	0.8
79.01851	0.2
81.03403	0.4
83.01350	0.4
89.38387	0.2
90.29137	0.2
91.05488	4.0
95.05002	1.1
97.02883	1.0
107.04952	2.3
111.00771	0.5
119.04954	11.2
121.06538	1.2
123.04448	3.1
125.02361	0.8
127.03873	0.2
129.01808	0.4
137.26178	0.2
138.53131	0.2
147.04420	29.8
151.03908	0.5
153.01837	100.0
154.02213	0.2
171.02901	10.2
172.67581	0.2
179.03360	1.2
181.06538	0.3
189.05472	0.5
198.08850	0.2
207.06529	0.2
216.58257	0.3
231.06516	0.5
255.06612	0.5
273.07584	63.7
274.08163	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	271.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44992	0.7
53.03950	1.3
55.05516	5.8
57.07065	2.4
67.05512	14.5
68.05042	0.7
69.03390	0.7
69.07078	12.5
69.76367	2.3
69.76772	1.4
79.05075	0.8
79.05498	9.7
81.05799	1.3
81.06590	1.5
81.07062	29.1
83.04976	1.6
83.08628	4.9
85.41854	0.9
91.05489	7.2
93.06486	1.2
93.07053	19.9
94.06554	1.0
95.04944	2.2
95.08614	29.9
96.08131	2.1
97.10162	3.1
98.20848	1.0
101.06023	0.8
105.07035	19.2
106.06574	2.5
107.04996	1.1
107.08602	23.1
108.08112	9.4
109.06513	1.2
109.10162	27.3
111.11793	1.1
113.09669	1.4
117.07025	2.9
119.08587	21.2
121.10151	20.8
122.09678	1.5
123.11709	11.6
129.07021	1.8
131.08565	7.0
133.10141	12.2
134.06012	2.2
135.08078	1.1
135.11684	10.5
136.07571	1.4
137.13251	2.5
142.07774	1.2
143.08597	1.5
144.08167	0.9
144.09303	1.7
145.09023	1.4
145.10124	11.5
147.06831	0.9
147.11700	14.6
147.99986	0.8
149.13254	14.8
153.07065	1.1
155.08574	1.7
156.10771	0.8
157.10147	2.7
158.09663	1.4
159.08098	3.8
159.11711	14.9
161.13277	18.8
163.14816	12.2
168.08098	2.7
169.08885	2.8
170.09584	1.6
171.11734	1.2
172.07578	1.8
173.13293	7.4
174.09143	2.2
175.14841	13.5
177.16405	5.4
181.10141	2.1
182.05981	1.3
183.08110	1.6
183.10403	6.2
183.11810	1.3
185.10881	1.4
186.09140	0.9
186.11491	1.7
187.14789	6.0
189.16411	7.1
195.13785	1.8
196.07594	6.2
197.08350	13.0
198.09222	1.6
198.12796	5.6
199.08629	8.2
199.12390	1.2
200.13049	1.0
201.16382	14.0
203.18018	1.2
208.11232	1.0
210.09177	3.0
210.11539	0.7
211.09935	18.6
213.10233	13.0
213.16151	1.0
214.11014	4.7
215.15497	3.1
215.17973	15.3
223.71983	0.7
225.13893	1.2
226.12279	39.4
227.08189	2.0
227.11766	12.7
228.12578	24.6
229.19595	2.8
239.11882	0.8
239.16614	0.8
241.09801	1.0
242.10419	1.8
243.14952	25.4
243.21141	1.7
253.13510	3.9
253.15726	1.2
254.11855	3.8
255.11356	2.8
256.12106	6.6
271.14438	69.0
271.16867	3.3
271.24219	100.0
272.24722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.44992	0.7
53.03950	1.3
55.05516	5.8
57.07065	2.4
67.05512	14.5
68.05042	0.7
69.03390	0.7
69.07078	12.5
69.76367	2.3
69.76772	1.4
79.05075	0.8
79.05498	9.7
81.05799	1.3
81.06590	1.5
81.07062	29.1
83.04976	1.6
83.08628	4.9
85.41854	0.9
91.05489	7.2
93.06486	1.2
93.07053	19.9
94.06554	1.0
95.04944	2.2
95.08614	29.9
96.08131	2.1
97.10162	3.1
98.20848	1.0
101.06023	0.8
105.07035	19.2
106.06574	2.5
107.04996	1.1
107.08602	23.1
108.08112	9.4
109.06513	1.2
109.10162	27.3
111.11793	1.1
113.09669	1.4
117.07025	2.9
119.08587	21.2
121.10151	20.8
122.09678	1.5
123.11709	11.6
129.07021	1.8
131.08565	7.0
133.10141	12.2
134.06012	2.2
135.08078	1.1
135.11684	10.5
136.07571	1.4
137.13251	2.5
142.07774	1.2
143.08597	1.5
144.08167	0.9
144.09303	1.7
145.09023	1.4
145.10124	11.5
147.06831	0.9
147.11700	14.6
147.99986	0.8
149.13254	14.8
153.07065	1.1
155.08574	1.7
156.10771	0.8
157.10147	2.7
158.09663	1.4
159.08098	3.8
159.11711	14.9
161.13277	18.8
163.14816	12.2
168.08098	2.7
169.08885	2.8
170.09584	1.6
171.11734	1.2
172.07578	1.8
173.13293	7.4
174.09143	2.2
175.14841	13.5
177.16405	5.4
181.10141	2.1
182.05981	1.3
183.08110	1.6
183.10403	6.2
183.11810	1.3
185.10881	1.4
186.09140	0.9
186.11491	1.7
187.14789	6.0
189.16411	7.1
195.13785	1.8
196.07594	6.2
197.08350	13.0
198.09222	1.6
198.12796	5.6
199.08629	8.2
199.12390	1.2
200.13049	1.0
201.16382	14.0
203.18018	1.2
208.11232	1.0
210.09177	3.0
210.11539	0.7
211.09935	18.6
213.10233	13.0
213.16151	1.0
214.11014	4.7
215.15497	3.1
215.17973	15.3
223.71983	0.7
225.13893	1.2
226.12279	39.4
227.08189	2.0
227.11766	12.7
228.12578	24.6
229.19595	2.8
239.11882	0.8
239.16614	0.8
241.09801	1.0
242.10419	1.8
243.14952	25.4
243.21141	1.7
253.13510	3.9
253.15726	1.2
254.11855	3.8
255.11356	2.8
256.12106	6.6
271.14438	69.0
271.16867	3.3
271.24219	100.0
272.24722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05514	61.6
57.03436	3.8
57.07079	17.4
67.05510	57.9
69.03423	4.3
69.07072	100.0
71.04993	7.2
71.08625	4.0
71.51881	2.5
79.05492	23.2
81.07059	84.6
83.04977	8.2
83.08622	56.5
85.06555	10.7
85.10196	5.1
86.03221	2.4
91.05475	24.0
93.07040	33.6
95.04969	5.5
95.08611	75.1
97.06537	17.6
97.10179	61.6
97.64532	2.3
98.97598	2.4
99.08102	8.7
105.07039	27.2
105.81116	2.2
107.08592	28.8
109.06521	7.1
109.10155	44.5
111.08097	8.3
111.11721	25.1
113.06002	3.7
113.09590	2.8
115.07594	2.4
116.98633	3.4
119.04886	2.6
119.08582	22.1
121.06503	4.0
121.10150	37.7
123.08070	5.8
123.11685	15.9
125.06097	2.1
125.09659	8.8
125.13283	6.2
127.07549	2.5
131.08633	4.2
133.06590	2.2
133.10139	26.9
135.08023	2.3
135.11694	32.3
137.09630	9.9
137.13272	10.1
139.11194	8.6
143.08656	3.4
147.11707	22.3
149.13252	11.3
151.11200	9.1
151.14838	8.6
153.12750	10.3
159.08070	7.0
159.11705	2.9
161.13269	17.6
163.14844	3.6
165.07027	3.5
165.12758	9.6
171.11714	3.2
173.09628	3.1
173.13335	2.8
174.86679	2.2
175.14854	8.8
179.14337	8.7
183.08090	4.0
183.11691	2.9
183.13794	3.6
187.11142	3.4
189.16336	4.5
190.36472	2.3
191.18069	3.1
193.15909	8.3
193.19562	5.2
195.11745	3.3
211.14822	2.8
213.12788	2.7
217.19530	45.3
221.15302	5.4
235.20572	43.4
253.15979	3.6
253.21660	21.5
266.94577	2.5
271.06610	4.6
271.09680	16.0
271.16995	18.8
271.20114	4.9
271.24252	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
53.66782	1.7
55.01866	5.6
55.05514	64.0
57.03439	4.4
57.07081	16.8
59.76923	2.2
62.97405	2.1
67.05509	56.7
67.83092	2.0
69.07071	100.0
70.49051	2.1
71.04992	8.7
71.08616	8.7
71.52569	2.0
73.06533	2.0
75.71870	1.8
79.05499	29.4
81.06594	4.4
81.07057	79.4
83.04993	13.5
83.08619	58.5
85.02885	2.3
85.06544	9.6
85.96874	2.4
86.34773	2.1
91.05486	24.4
93.07049	37.7
95.04969	4.7
95.08615	73.9
97.06546	18.6
97.10175	55.2
99.04443	2.4
99.08080	6.1
101.06065	2.6
105.07027	21.4
107.08604	28.6
109.06532	6.5
109.10158	42.1
111.04407	3.5
111.08085	8.2
111.11722	25.0
113.05991	3.6
113.09618	4.7
115.07588	4.4
117.07036	2.6
119.08585	30.2
120.23879	2.3
121.10151	38.7
123.08076	7.9
123.11705	12.7
125.09624	6.9
125.13268	9.1
127.11195	2.8
129.09160	2.4
131.08585	2.6
133.10130	30.5
135.08054	3.9
135.11691	32.4
137.09601	10.1
137.13254	7.6
139.11160	9.4
143.08607	5.3
145.10057	4.8
147.11700	17.4
149.13312	10.5
151.11227	11.3
151.14787	8.6
153.12756	9.8
155.08453	3.0
156.09338	2.5
157.12312	2.0
159.08061	5.4
159.11693	3.9
161.13239	16.6
163.14771	2.3
165.07008	6.9
165.12718	8.8
169.10135	2.8
169.12297	2.8
173.09517	2.3
173.13187	2.8
175.14830	7.4
177.16322	3.2
179.14340	6.7
183.08029	2.4
185.13248	2.2
189.16362	2.9
191.17882	2.4
193.15848	11.8
193.19493	6.7
195.11665	3.2
211.14845	5.9
213.12775	3.2
217.19531	40.3
221.15353	14.5
235.20566	33.2
253.21689	18.0
262.17444	2.5
271.06033	6.8
271.09692	6.1
271.14520	2.3
271.17081	22.6
271.20041	4.6
271.24432	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2057
Annotation	Clathrin B
Peak:m/z	Relative Intensity
54.93308	1.4
55.05517	6.6
57.07084	10.2
57.07331	2.3
58.02963	2.6
58.07413	2.0
60.07161	1.3
67.05515	13.5
69.03426	3.4
69.07074	10.6
71.04996	4.0
71.08613	6.9
72.08968	2.4
72.36674	1.3
77.32784	1.2
77.79050	1.5
79.05491	9.0
81.07069	20.7
83.08601	3.2
85.06552	1.8
91.05484	18.0
92.05527	1.4
93.07059	18.1
95.04970	6.7
95.08613	44.6
97.06516	3.7
98.20760	3.5
102.09180	4.4
103.05469	1.8
105.07038	31.7
107.08597	26.4
109.06523	5.4
109.10156	16.5
111.08075	4.4
115.05454	2.4
116.06226	1.8
116.10732	2.0
117.07018	4.0
117.89283	1.3
119.08590	32.8
121.06513	1.5
121.10152	41.6
123.08074	6.0
123.11721	25.0
125.09641	1.6
129.07005	5.1
130.07790	1.5
131.08571	41.1
133.07594	2.0
133.10139	21.5
135.08054	6.4
135.11691	6.3
142.07857	2.5
143.08566	4.6
145.10124	19.1
147.08038	3.0
147.11679	21.0
149.09634	32.5
149.13319	1.8
155.08582	2.8
156.09328	3.4
157.10135	12.5
159.11705	14.9
159.15720	2.2
161.09624	1.9
161.13225	4.3
163.11168	2.0
163.14870	1.6
165.12721	1.7
167.08569	1.8
169.10153	5.3
171.11729	8.5
173.09637	1.9
173.13254	6.3
174.14078	2.1
175.11166	3.7
175.14824	11.6
182.10925	2.9
183.11700	3.7
185.13283	2.7
187.11162	3.0
187.14906	6.8
189.12827	1.6
189.16385	3.5
197.13257	12.0
201.12703	3.4
211.14912	3.4
213.16402	4.7
215.14343	9.2
229.15909	1.6
243.21022	1.8
253.19574	6.1
271.20612	25.8
271.28268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1693
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
53.03954	2.3
53.63580	1.3
55.01859	3.2
55.05508	3.5
56.25757	1.4
57.03433	1.6
65.03951	1.3
67.05509	7.0
69.07070	2.5
71.04993	15.7
71.61726	1.3
79.05499	15.4
81.07063	19.4
83.08621	2.2
85.06535	4.1
85.08747	1.4
91.05482	27.4
92.06308	1.6
93.06484	2.4
93.07048	35.1
93.07635	1.7
95.04955	9.0
95.08616	22.3
97.06516	1.5
103.05493	1.3
105.07034	51.1
105.75756	1.2
107.04979	1.7
107.08588	24.4
109.06523	100.0
109.10146	3.6
111.08073	6.3
115.05450	4.9
117.05479	2.1
117.07032	13.0
119.08588	17.2
121.06526	3.9
121.10161	3.0
123.08079	7.0
128.06241	8.8
129.07018	11.7
130.07797	4.7
131.08571	25.5
133.06514	1.8
133.10077	6.4
135.08061	49.7
137.09612	15.5
141.07013	5.5
142.07787	12.3
143.08566	31.8
144.09329	1.7
145.06526	2.3
145.10121	30.1
147.08061	12.8
147.11702	3.6
149.09628	16.5
153.06999	5.4
154.07796	3.9
155.08580	15.7
156.09338	12.8
157.10136	15.1
159.08075	11.8
159.11713	10.9
161.09607	4.6
165.07007	14.6
166.07808	1.5
167.08566	4.9
168.09410	5.7
169.10129	22.7
170.10902	6.2
171.08098	2.6
171.11694	45.4
172.08894	2.3
173.09639	7.2
173.13411	1.4
174.97951	1.8
179.08600	5.2
180.09367	14.0
181.10103	6.8
182.10783	1.6
183.08081	3.2
183.11658	10.8
185.09579	3.6
185.13255	11.5
187.11168	6.8
187.14792	3.1
189.12775	2.1
191.10692	3.6
193.10123	3.0
194.10966	3.7
195.11697	53.3
195.13448	2.8
196.08905	1.6
196.12524	7.6
197.09563	1.7
198.10460	5.5
201.12755	6.8
205.10168	2.2
209.13248	7.7
210.14005	4.8
211.11197	3.6
211.14806	24.0
213.12752	54.7
215.10791	1.7
220.12503	4.0
227.14336	2.1
228.15175	2.2
229.15849	10.9
235.14749	5.2
253.15909	17.7
263.27042	1.6
271.14072	3.0
271.16940	37.7
271.20248	2.1
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	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
51.70491	1.5
55.05506	5.2
67.05491	6.9
69.03438	3.9
69.07073	2.6
71.04999	18.1
74.54549	1.6
75.69449	1.6
77.03904	1.7
79.05494	14.8
79.80789	1.7
81.03457	1.6
81.07062	15.4
85.06574	3.6
91.05486	24.7
93.07051	36.0
95.04993	9.6
95.08614	20.0
97.06525	2.2
97.67670	1.8
98.20709	3.4
103.05470	1.9
105.07034	47.7
105.07697	3.4
107.08590	25.5
109.06522	100.0
109.10143	3.2
111.08075	7.8
115.05447	5.0
116.06280	2.3
117.07027	13.8
119.08588	22.3
121.06522	4.6
121.10126	3.2
123.08064	6.7
127.38818	1.9
128.06200	9.1
129.07001	12.7
130.07773	5.6
131.08578	22.2
133.10118	4.2
135.08061	53.4
136.08803	2.0
137.09612	14.5
141.07018	5.5
142.07774	8.0
143.08559	28.7
144.09325	2.6
145.06485	2.0
145.10129	34.9
147.08078	11.4
149.09651	18.1
153.06987	5.0
154.07661	2.0
155.08562	16.3
156.09325	11.8
157.10158	14.8
159.08063	21.8
159.11726	10.2
161.09647	6.1
165.07011	15.6
166.07721	3.2
167.08556	6.5
168.09348	5.1
169.10143	21.6
170.10922	9.1
171.08118	1.7
171.11703	42.9
172.08788	2.2
173.09573	8.8
179.08572	4.5
180.09306	15.2
181.10188	8.8
182.10872	2.8
183.08052	3.1
183.11665	11.8
183.93283	1.7
185.13214	13.2
187.11165	7.3
187.14833	2.0
191.10674	2.3
193.10262	2.6
194.10901	2.3
195.11700	52.7
195.13448	3.3
196.12508	8.5
197.09697	2.1
197.13123	2.3
198.10442	4.0
201.12810	8.8
209.13318	7.1
210.14001	3.7
211.11316	4.1
211.14845	19.5
213.12755	61.3
220.12454	4.2
225.16364	1.6
227.14159	2.5
229.15887	10.3
235.14894	4.2
253.15933	17.5
271.16953	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03708	2.4
53.03944	12.3
54.77338	2.3
55.01853	8.6
55.05514	13.4
57.03440	13.2
57.07069	2.4
59.04986	2.3
65.28439	1.9
67.05508	33.4
69.03093	3.4
69.03434	48.5
69.07065	9.7
70.06595	5.5
71.01329	4.6
71.04607	4.2
71.04994	76.1
71.51723	2.4
73.02895	8.6
73.06500	2.7
73.29667	2.0
79.05497	35.7
81.02993	3.3
81.03422	47.6
81.07062	29.9
83.04965	13.3
83.08611	3.8
84.08113	6.3
85.02911	46.4
85.06525	8.6
86.09698	3.1
87.04487	5.4
89.02411	2.4
91.05482	41.3
93.07046	22.2
95.04963	12.1
95.08610	20.4
97.02892	28.7
97.06516	11.7
98.97576	5.1
99.04456	66.0
99.08083	3.1
103.03933	7.9
105.07027	29.0
107.04939	11.4
107.08604	17.3
109.02885	66.9
109.06487	8.8
109.10159	11.2
110.07194	3.5
111.04418	9.7
111.08046	2.3
113.02370	11.1
113.05968	3.8
115.03906	2.4
117.07027	8.9
119.04936	5.8
119.08560	18.3
121.06504	8.8
121.10152	13.5
123.04396	2.8
123.08080	9.3
123.11639	2.8
125.05937	3.8
125.09678	2.9
126.85572	2.1
127.03923	100.0
127.07533	2.4
127.11156	2.3
128.06219	6.3
129.05466	6.5
129.07024	12.1
131.08586	10.6
133.06491	4.9
133.10135	22.6
135.08020	6.5
135.11749	2.2
137.05954	8.1
137.09586	2.9
138.72473	2.0
139.03889	2.2
139.07545	4.1
139.11172	3.5
141.05397	2.6
141.06960	6.1
141.08052	1.9
142.07758	2.9
143.08534	6.0
145.04948	19.7
145.10144	6.1
146.08392	2.3
147.08031	4.8
147.11676	9.5
149.05977	3.6
149.09595	9.0
149.13162	2.5
151.07559	6.5
151.11189	7.1
153.06964	6.2
155.07088	3.8
155.08511	7.2
157.10130	12.8
159.11649	3.4
161.09653	3.0
163.07437	3.9
163.11279	2.9
165.05771	2.3
165.07022	14.2
165.09071	4.0
165.12730	2.9
168.05702	2.9
171.11661	10.6
175.11185	15.2
177.73505	2.3
179.07043	4.9
179.10649	4.8
180.02132	2.6
181.06477	3.5
183.08017	6.4
189.12796	6.0
193.06580	2.3
193.08644	5.3
193.12170	9.9
196.05161	4.3
198.14905	2.5
199.11092	2.6
211.07524	9.0
215.07037	3.2
217.12236	9.5
226.14369	8.7
227.12709	2.3
235.13240	26.8
243.06595	3.7
253.06960	2.3
253.14287	8.9
271.05823	41.1
271.10205	17.6
271.15338	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	271.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.0
55.01873	7.9
55.05506	15.6
57.03425	11.0
57.07079	4.2
67.05511	23.4
68.99796	4.5
69.03435	31.7
69.07063	8.8
70.06590	13.6
70.69244	4.0
70.69588	5.0
71.01350	5.2
71.04999	56.9
72.08158	3.0
72.15646	3.1
73.02918	12.9
73.19740	2.8
77.14165	2.8
79.05495	27.6
79.69778	2.8
81.03426	48.2
81.07060	25.7
83.04987	11.1
83.08662	2.9
84.08131	6.3
85.02917	75.0
85.06541	12.2
86.09711	7.4
87.04478	5.9
91.05489	32.2
93.07048	16.6
95.04978	11.5
95.08596	10.3
97.02905	31.2
97.06535	12.2
97.07093	3.2
98.97598	4.2
99.04464	45.2
101.42341	2.9
103.03986	13.3
105.07022	22.2
107.04973	5.9
107.08604	14.9
109.02136	5.2
109.02885	100.0
109.06516	11.0
109.10150	10.9
111.04456	10.2
111.08080	6.5
113.02385	11.1
116.07105	3.6
117.07047	6.7
119.08617	11.0
120.94614	3.7
121.06532	6.7
121.10162	11.6
123.04453	6.3
123.08054	5.3
123.11726	3.3
123.31306	2.4
125.05959	2.7
125.09665	3.8
125.54770	2.9
127.03927	87.7
129.05499	6.3
129.07056	13.3
129.72096	3.2
130.06523	6.0
131.08574	10.8
133.06506	6.5
133.10130	20.9
135.08049	8.0
137.06003	8.0
137.09554	3.0
139.03873	4.0
141.05458	3.7
143.08604	3.5
145.04988	37.1
145.10149	6.0
147.08032	6.3
147.11671	14.1
149.09605	11.3
149.15273	2.5
151.07613	3.5
153.05499	2.9
155.07079	6.0
157.07603	4.1
157.10109	14.8
163.07520	4.0
165.05475	4.3
165.06912	4.7
165.12766	3.6
169.04953	3.7
170.14751	2.8
171.11649	16.4
175.11226	18.2
179.07114	3.6
181.10266	2.6
185.05757	3.5
189.12732	11.8
193.12271	11.3
200.84137	3.3
217.12274	16.4
217.14191	3.4
229.04840	2.7
235.13318	32.2
239.06865	2.7
253.14323	17.7
271.06024	12.0
271.10849	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	271.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.0
55.01867	7.1
55.05508	12.5
57.03424	2.2
65.01157	1.7
66.76482	1.9
67.05506	15.5
69.03432	20.3
69.06733	2.6
69.07071	23.8
69.56516	8.3
71.01347	1.9
71.04991	8.3
73.02922	4.3
79.05499	26.6
81.03429	19.3
81.07059	46.4
83.04975	14.4
83.08606	7.6
85.02921	9.1
85.06542	5.3
87.04464	3.2
91.05481	22.6
93.07050	53.1
95.04972	15.0
95.08609	24.3
97.02892	7.6
97.06534	40.6
98.97568	1.9
99.04458	28.4
103.03946	2.9
105.06329	1.7
105.07034	35.5
107.04930	8.9
107.08603	29.8
109.02880	48.1
109.06529	38.4
109.10139	8.6
111.04414	2.1
111.08108	11.9
113.06007	6.3
115.07559	3.5
117.07019	5.1
119.04945	3.0
119.08583	22.8
121.06514	80.1
121.10169	8.3
123.08116	7.9
123.11703	4.9
125.06005	14.6
127.03917	31.2
127.07555	11.7
128.06241	2.9
129.06987	5.9
131.08575	5.7
133.06502	4.3
133.10127	21.2
135.04413	5.7
135.08067	12.6
135.11670	2.3
137.05998	5.8
137.09575	2.2
139.07541	21.4
141.05493	2.3
142.07756	5.1
143.07054	13.4
143.08585	8.7
145.10146	8.2
147.08073	4.4
147.11688	47.0
147.39934	1.8
149.09715	2.3
151.07622	1.8
151.11163	4.6
153.01833	2.7
153.07021	3.1
155.08514	3.5
156.09354	3.5
157.08615	13.0
157.10135	16.9
159.06560	2.0
159.08113	1.9
161.09647	3.0
161.13208	9.0
163.07341	8.6
165.06996	6.8
165.12772	21.2
166.07788	2.0
170.07373	1.7
171.11687	18.5
175.09756	3.1
175.11189	27.7
181.10114	6.0
183.08040	4.6
183.13837	1.9
189.12764	23.0
193.10481	2.3
193.12248	27.0
195.09981	3.3
199.11191	30.2
207.13814	14.2
211.07530	2.5
211.13260	16.8
217.12247	100.0
229.14410	2.8
235.13297	82.8
251.08612	4.5
253.14348	47.4
271.06012	28.8
271.09665	9.4
271.15137	9.8
292.44458	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
54.74567	1.4
55.01860	6.4
55.05504	11.8
55.29438	1.4
56.96560	1.7
57.03422	3.2
57.07058	2.3
67.05508	16.2
69.03436	12.7
69.07070	25.5
70.06593	29.5
70.09871	4.6
70.10268	3.6
71.01331	2.4
71.05003	12.5
72.08133	3.3
73.02901	4.6
73.03271	1.6
73.06543	2.9
79.05492	26.1
81.03418	18.7
81.06599	2.4
81.07057	46.8
83.04999	15.5
83.08630	9.1
84.08131	3.8
85.02889	7.1
85.06526	6.4
86.09705	2.4
89.69093	1.5
91.05479	19.3
93.07045	53.0
95.04975	14.5
95.08607	22.7
97.02882	6.6
97.06532	37.9
98.97607	1.7
99.04449	21.1
99.08078	1.8
100.90440	1.4
101.06023	1.9
103.03943	2.3
105.07030	38.8
107.04960	10.0
107.08604	23.2
109.02881	34.5
109.06521	32.9
109.10141	7.2
110.07117	2.0
111.04449	3.2
111.08086	13.6
112.07615	26.0
113.06010	6.0
115.05439	2.0
115.07581	7.8
117.06994	4.0
119.04914	4.1
119.08582	22.1
121.06507	83.9
121.10154	8.2
123.04403	3.0
123.08081	10.3
123.11684	5.0
125.05199	1.6
125.06013	17.5
125.09608	2.4
127.03918	24.7
127.07555	12.3
129.06990	6.5
131.08585	8.2
133.06491	6.9
133.10147	17.9
135.04393	4.6
135.08047	14.9
135.11658	3.9
137.05942	8.0
137.09576	3.0
137.13239	2.2
139.07538	23.1
140.07077	13.1
141.05460	3.2
141.06984	2.2
142.07794	3.8
142.22511	1.5
143.07007	10.3
143.08554	6.5
145.10117	8.4
147.08054	6.9
147.10495	2.6
147.11690	41.2
149.06024	2.5
149.09622	1.8
149.13223	3.1
151.07527	4.3
151.11108	2.6
152.20866	1.7
153.06966	3.6
153.09073	3.3
155.07132	1.8
155.08600	2.6
156.09320	3.6
157.06480	1.8
157.08601	12.5
157.10104	17.7
159.06470	2.2
160.08803	1.9
161.05952	1.6
161.09645	3.0
161.13255	11.1
165.06993	9.5
165.12761	19.0
166.07811	2.5
169.04974	1.5
169.06482	1.9
171.11687	18.8
173.09593	3.7
175.09787	2.4
175.11192	31.2
179.07043	2.5
181.06487	2.5
181.10106	2.9
182.08479	2.1
182.66153	1.5
183.08075	3.7
189.12755	20.9
193.12241	24.5
196.05113	1.7
198.12749	3.0
199.11200	28.1
207.13841	13.2
211.07498	5.7
211.13293	14.4
217.12233	100.0
226.12270	3.2
235.13300	74.6
251.08495	1.6
251.12636	1.8
253.07059	2.2
253.14368	44.4
254.11758	4.1
271.06036	7.0
271.09814	12.3
271.15076	10.8
276.42300	1.6
288.07965	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01856	6.3
55.05499	13.7
56.96552	6.2
57.03439	9.3
57.07068	14.3
65.03911	3.7
67.05220	3.8
67.05511	35.7
69.03417	13.4
69.07060	17.0
70.06591	3.7
71.04994	10.1
71.52974	5.4
79.05490	45.6
81.03412	13.5
81.07058	77.2
83.04984	17.3
83.08606	11.3
85.02879	8.0
85.06538	12.2
91.05495	48.7
93.07046	84.9
95.04949	11.7
95.08624	32.9
97.02919	5.1
97.06530	24.2
98.97597	7.6
99.04460	33.4
101.05981	4.1
105.07040	59.6
107.04951	7.6
107.08601	51.3
109.02896	19.8
109.06526	34.0
109.10165	35.6
110.07215	5.1
111.08089	7.0
113.06011	7.3
117.07024	6.2
119.04971	4.1
119.08605	29.4
121.06517	56.9
121.10146	17.4
123.04384	6.5
123.08084	23.2
123.11703	18.4
125.06011	7.3
125.09639	5.4
127.03912	14.3
127.07545	13.0
129.07043	7.5
131.08577	11.1
133.06520	8.5
133.10132	44.2
135.08067	24.3
135.11664	6.3
137.05951	16.6
137.09607	8.4
139.07553	13.9
141.05486	3.9
142.07800	7.7
143.08559	12.6
145.06488	5.1
145.10114	8.7
147.08089	6.0
147.11688	61.6
149.09691	5.1
149.13261	5.8
151.07564	17.8
151.11191	27.6
153.09131	6.5
155.08511	7.7
156.09366	7.0
157.10103	16.1
157.74126	3.4
159.08049	6.7
159.11746	6.8
161.06036	7.0
161.09612	4.6
161.13222	8.4
165.06990	12.9
165.09157	7.5
165.12772	39.5
169.08618	6.9
169.12218	4.9
171.08087	4.9
171.11690	19.8
173.09587	4.8
175.09891	5.9
175.11189	32.5
179.07056	14.4
183.08066	12.1
183.13814	5.7
189.12718	24.7
191.10632	4.7
191.14441	4.5
193.12251	23.7
197.08109	11.3
199.11154	18.1
207.13722	17.7
211.13260	9.0
215.09155	24.2
215.12717	3.9
217.12242	82.5
229.14285	7.1
235.13306	100.0
253.14322	51.6
271.06128	6.7
271.09686	29.2
271.15176	43.7
271.24136	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	271.1443
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05517	3.3
57.07076	1.4
63.64154	0.5
65.03946	0.8
67.05510	4.9
69.07070	2.7
69.15550	4.9
69.15969	1.4
71.04987	0.8
71.31990	0.5
79.05497	4.6
81.03431	1.0
81.07061	7.4
83.04995	4.7
83.08605	1.7
85.06548	1.0
91.05482	4.5
93.07037	3.7
95.04966	1.7
95.08618	4.8
96.08123	1.9
97.06573	0.8
97.10147	1.0
98.21536	1.2
99.08107	0.9
105.07050	4.7
106.06540	1.4
107.04984	1.0
107.08599	3.9
108.08131	4.7
109.06497	1.6
109.10160	4.9
110.95929	0.5
111.04411	1.0
115.05413	0.6
117.06984	1.9
119.08591	5.0
120.08127	0.7
121.06507	0.6
121.10155	3.5
122.09682	1.2
123.08025	1.2
123.11703	1.8
128.06195	0.7
129.06976	1.4
131.08557	1.9
133.10126	3.7
134.06039	0.8
135.08061	1.2
135.11714	1.5
137.05975	0.7
137.09621	0.6
142.07732	1.4
143.08548	1.8
144.05714	1.1
144.08105	1.1
145.10143	2.1
147.07974	0.7
147.11688	2.7
148.07608	0.8
149.13266	1.8
150.75322	0.5
151.11211	1.0
153.06961	1.0
155.08536	1.1
156.09244	1.0
157.06491	0.6
157.10120	1.9
158.09659	0.9
159.08086	8.5
159.09290	1.1
159.11700	2.2
161.13271	2.7
165.07085	0.7
167.08638	0.7
168.08128	4.9
169.08891	4.2
169.10085	0.9
170.09654	1.0
172.07564	1.1
173.09612	1.4
173.13263	1.2
174.09084	0.9
175.07523	0.7
175.14839	2.4
181.10075	1.8
182.09688	1.7
183.10451	7.4
183.11858	0.9
185.10802	1.0
186.11574	0.7
187.14801	0.9
189.16364	0.7
195.13690	0.9
196.07591	2.4
197.08365	6.7
198.09123	1.4
198.12770	7.5
199.08673	4.7
199.12347	0.7
199.14893	0.7
200.13042	0.7
201.16379	1.6
208.11337	0.7
210.09122	1.5
211.09926	11.5
211.14738	0.6
212.09521	1.8
213.10260	8.6
213.12651	1.0
214.11031	2.4
215.15489	2.2
215.18034	1.7
226.12292	24.3
227.08311	1.3
227.11806	19.0
228.12595	21.9
229.15953	0.9
235.20572	1.0
239.16393	0.8
241.09703	1.9
241.13464	0.8
242.10567	1.4
243.15010	15.8
253.13329	2.9
253.15706	1.4
253.19536	0.6
254.11722	0.9
255.11310	35.6
256.12088	41.0
269.12921	2.2
271.06332	2.1
271.14432	100.0
271.16885	6.1
271.20645	2.7
271.24197	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	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.03940	0.7
55.05505	1.4
67.05494	1.1
69.07056	1.2
71.04984	0.6
71.53470	0.6
79.05488	2.2
79.39886	0.5
81.05772	1.1
81.07040	2.1
83.04971	0.7
91.05470	1.8
92.71513	0.6
93.07036	1.2
94.06556	1.3
95.04944	0.8
95.08617	1.5
96.08115	3.0
105.07005	1.3
106.06544	2.2
107.08623	0.7
108.08119	11.7
109.10161	1.3
117.07027	0.9
119.08572	0.7
122.09686	1.6
128.06189	0.9
129.07031	1.4
131.08597	0.8
132.08089	0.7
133.10133	0.9
134.06013	1.5
136.07585	1.4
141.07028	0.7
142.07770	1.0
143.08546	0.8
144.08118	0.6
153.07089	0.7
154.06519	0.9
155.08554	0.8
156.08078	0.7
157.10117	1.8
158.09648	0.8
159.08047	1.9
160.07611	0.7
160.11256	0.7
161.13292	0.6
166.07729	1.0
168.08092	2.7
169.08891	4.2
170.09685	1.6
171.11650	0.9
172.07603	2.1
174.09143	2.5
181.10080	1.3
182.09651	2.2
183.08051	1.1
183.10414	5.5
183.11749	0.6
185.10847	1.4
186.09172	1.3
186.11517	1.5
195.09125	0.7
196.07585	4.8
197.08337	10.2
198.09236	1.4
198.12788	7.1
199.08644	8.6
199.12352	1.6
200.09293	0.9
200.13095	1.8
208.11183	1.2
210.09196	2.6
210.11523	1.2
211.07907	1.2
211.09932	17.4
213.10255	14.1
214.11012	3.8
215.03305	0.6
215.15504	4.9
225.13947	1.9
226.12271	37.9
227.11809	14.8
228.12576	28.4
239.09421	0.7
239.11807	1.1
241.09790	2.2
241.13367	0.7
242.10583	2.2
242.14194	0.8
243.14940	24.8
250.14818	0.6
253.13499	5.1
253.15845	1.1
254.11871	2.7
255.11275	15.3
256.12085	17.8
269.12891	0.9
271.14423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03949	10.3
55.01880	1.7
55.05511	1.9
56.96572	0.5
57.03436	1.9
57.07097	0.6
60.04522	0.4
67.05513	1.4
69.03433	25.8
69.07082	0.6
69.61816	1.7
69.62234	1.1
70.06599	1.7
71.05001	5.3
72.08172	0.8
73.02921	9.4
79.05526	1.2
81.03425	34.6
81.07065	2.0
83.01366	0.6
83.04968	1.0
83.16964	0.5
84.04505	0.6
84.08138	0.8
85.02910	13.0
85.06551	0.7
86.09680	0.6
87.04461	2.5
91.05489	1.0
93.07052	1.2
95.08601	0.6
97.02905	15.3
98.20853	1.0
98.97589	1.0
99.04462	36.4
101.02402	0.6
103.03946	7.1
105.07031	1.2
107.04955	1.6
109.02889	100.0
109.10194	0.8
110.07183	1.4
111.04484	0.6
117.07027	0.6
119.04976	0.5
120.80765	0.5
121.10215	0.6
123.04453	0.8
125.02496	0.5
127.03925	64.6
129.10236	0.7
131.08586	0.5
133.10135	0.5
133.86469	0.4
135.08076	0.9
137.05974	1.2
145.04980	4.2
145.06320	0.5
149.09615	0.5
151.03914	0.9
153.01903	0.6
157.10281	0.5
163.06255	0.5
163.07581	1.8
165.09174	0.5
169.04973	2.3
170.97633	0.5
179.07021	0.5
191.07048	1.3
197.06097	0.5
197.08047	0.6
207.06602	0.7
209.08067	1.4
224.97162	0.4
235.05980	1.4
235.13379	0.7
253.07016	2.7
263.62064	0.5
271.08197	6.3
271.26459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.4
53.22142	0.5
55.01868	0.7
55.05511	1.1
57.03437	2.5
59.95583	0.5
61.02926	0.8
67.05511	0.9
69.03435	41.8
69.20464	5.7
71.05000	7.3
73.02926	9.6
76.13742	0.6
81.03425	39.4
81.07055	1.4
83.04973	1.2
85.02913	16.9
87.04481	1.9
91.05486	1.6
93.07042	0.6
95.04951	0.6
95.08616	0.6
97.02900	15.5
99.04462	45.2
99.41611	0.6
103.03953	7.3
105.07041	1.1
109.02888	100.0
127.03926	87.4
145.04947	4.2
149.06085	0.7
163.07617	0.8
169.04997	2.7
190.72162	0.6
209.08182	0.9
215.78758	0.6
235.05832	1.3
253.07025	5.5
271.08173	5.8
271.10812	3.7
271.14346	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.1
54.98845	0.4
55.01874	0.9
55.05505	1.5
56.96553	0.6
57.03456	2.5
57.03671	0.5
57.07069	0.5
59.04992	0.9
67.05508	3.1
69.03434	20.3
69.07069	1.8
71.01368	0.5
71.04994	5.3
71.52271	0.7
73.02920	12.1
79.05498	1.3
81.03425	33.8
81.07053	2.8
83.04977	1.5
83.08566	0.6
83.26203	0.5
84.08136	0.8
85.02911	13.4
87.04463	2.0
91.05499	2.6
93.07057	2.1
95.04972	1.5
95.08604	2.4
95.35987	0.4
97.02898	14.1
97.06555	0.6
98.09717	0.7
98.97564	0.6
99.04459	32.3
103.03947	6.6
105.07037	1.9
107.04956	0.8
107.08595	1.9
109.02888	100.0
109.10164	4.4
110.07172	0.8
111.04401	0.5
111.08105	0.6
113.06067	0.9
117.05515	2.5
117.07031	0.9
119.04977	0.6
119.08600	1.9
121.06502	1.1
121.10157	1.5
123.08069	0.8
125.05947	0.9
127.03928	57.9
127.71960	0.5
129.06960	0.5
131.08575	0.5
133.10124	1.5
135.08005	0.9
135.11722	0.7
137.06030	0.9
137.09598	0.9
141.06944	0.5
145.03938	0.6
145.04979	3.1
145.06467	0.7
145.10112	0.7
147.04422	0.5
147.11725	1.1
149.05910	0.5
149.58253	0.5
151.11226	0.6
153.07053	0.7
153.12762	0.6
155.08562	0.9
155.10683	0.6
157.10152	0.9
161.09694	1.2
163.07565	0.6
165.07008	3.2
165.09134	0.8
168.05693	0.8
169.04990	1.6
169.06473	0.9
169.12225	0.5
175.11215	0.8
179.10660	1.1
181.06435	0.7
183.08133	1.8
186.61053	0.5
193.12201	0.6
197.06024	0.6
209.08115	1.7
211.07668	1.7
221.05806	0.5
226.51556	0.5
230.77710	0.5
235.06082	1.3
235.13307	0.9
253.07114	1.9
253.18022	0.5
271.08096	3.8
271.09882	3.5
271.14703	2.4
271.20514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79184	0.9
57.03417	1.1
61.02914	1.8
63.18575	1.0
69.03412	2.8
70.06603	1.6
71.51566	1.3
73.06560	100.0
81.03421	1.2
85.02914	14.0
91.07600	9.6
97.02876	3.6
127.03922	3.4
136.06195	5.5
137.06471	1.4
145.04979	4.0
163.06108	0.9
180.52875	0.9
227.02406	1.0
237.07892	1.0
270.61142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95091	0.8
53.03713	1.1
53.03949	13.7
55.01865	1.8
55.05501	2.9
57.03432	3.5
57.07063	2.3
61.52117	0.8
64.45715	0.9
67.05502	4.7
68.27489	0.9
69.03430	37.8
69.07071	2.8
69.68088	3.9
70.06593	1.0
71.01362	1.4
71.04994	9.3
73.02921	10.5
74.80297	0.8
79.05474	3.2
81.03419	38.6
81.07063	7.1
83.01356	1.1
83.04967	3.0
83.08601	1.5
84.08135	1.7
85.02911	19.0
87.04459	3.6
89.03975	0.9
91.05491	5.6
93.07045	5.0
95.04970	2.4
95.08606	3.6
95.48369	0.8
97.02893	16.8
97.06533	1.8
99.04456	46.2
103.03950	6.8
105.07024	5.2
106.70478	1.0
107.05006	1.1
107.08570	3.7
109.02883	100.0
109.06500	2.1
109.10150	3.8
119.04974	1.5
119.08573	2.1
121.06501	2.1
121.10118	2.4
121.99483	0.9
123.08065	2.2
123.11699	1.8
127.03920	78.9
129.07001	1.0
131.08560	1.3
133.06497	1.3
133.10136	4.3
135.08049	1.9
137.05954	1.7
137.09544	1.8
141.07001	1.5
143.08575	1.7
145.04985	4.1
145.10025	1.3
147.11674	2.6
151.11235	1.2
153.06979	2.7
155.08565	2.5
157.10121	1.0
165.07001	4.5
165.12741	1.9
169.04988	2.6
169.10118	1.8
175.11171	1.1
179.10678	1.2
183.08005	2.1
189.12854	1.0
197.13106	1.2
209.07965	1.9
211.07553	2.5
213.05495	0.9
223.17065	0.8
225.12856	0.8
235.13182	1.8
253.07083	3.9
253.14218	2.3
255.94551	1.0
271.07910	3.7
271.09818	5.5
271.13544	1.4
271.17264	4.5
271.24335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1901
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
51.62597	2.3
52.13055	2.4
53.03946	3.6
55.01900	2.9
55.05517	13.4
57.03434	5.0
57.07073	3.4
67.05510	30.5
69.03417	5.5
69.07066	18.9
70.68462	6.7
71.05009	6.4
79.05500	22.1
81.07055	28.3
83.04996	2.7
83.08628	6.3
85.06598	2.8
87.12177	2.4
91.05490	26.1
93.07047	29.9
95.04977	22.9
95.08609	46.6
95.09177	3.3
97.06535	16.1
105.07043	43.7
107.08606	30.5
109.06522	12.2
109.10149	12.2
111.08101	7.0
117.07007	11.4
119.08584	67.7
121.06522	4.4
121.10160	24.5
123.08082	16.9
123.11732	4.1
125.09694	2.2
128.06276	7.9
129.07034	14.5
130.07835	5.3
131.08571	39.9
133.06602	2.5
133.10139	41.5
135.08104	6.9
135.11705	4.5
141.07050	7.1
142.07780	15.4
143.08572	35.9
144.09360	10.0
145.10132	54.7
147.08102	6.7
147.11722	13.5
149.09628	4.8
149.13272	5.3
153.07010	2.3
155.08534	13.0
156.09357	22.1
157.10141	43.0
158.10913	12.6
159.11697	21.9
160.12535	3.8
161.09665	5.3
163.11230	3.7
165.07010	3.4
166.07780	2.7
167.08635	4.2
168.09343	3.7
169.10155	13.0
170.10895	22.4
171.11699	60.9
172.12509	5.2
173.13272	40.2
173.14677	2.8
175.11198	11.6
179.08592	4.9
180.09389	5.7
181.10197	9.2
182.10989	5.1
183.11713	14.4
185.09666	3.6
185.13263	61.1
185.14879	4.1
186.14122	7.3
187.11224	3.6
187.14915	15.0
189.12778	5.4
193.10184	2.6
194.11011	5.6
195.11720	15.5
196.12526	5.1
197.13321	6.8
198.14114	3.9
199.11232	4.3
199.14801	16.2
207.11766	5.4
208.12497	2.8
209.13335	13.1
211.11389	2.9
211.14853	24.6
213.12750	16.0
213.16345	3.4
221.13289	5.7
221.63132	2.7
223.15031	3.0
225.16415	4.5
227.14337	6.0
236.15623	5.7
241.19606	11.8
251.18039	15.3
254.16626	3.2
269.19104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
54.63430	1.6
55.05509	16.3
57.03431	3.1
57.07072	3.0
59.19699	1.4
65.03941	2.6
67.05508	33.2
67.08495	1.5
69.03426	5.0
69.07071	15.9
71.04979	3.3
75.99454	1.5
79.05489	18.8
81.07061	21.9
81.65879	1.8
83.04977	4.7
83.08614	5.4
85.06523	1.5
91.05482	32.9
93.07047	33.9
95.04966	29.8
95.08610	47.6
97.06535	14.8
97.10155	2.2
103.05476	1.9
105.07030	50.6
107.08600	29.9
109.06534	15.1
109.10170	16.7
111.08118	7.1
115.05486	3.7
116.06252	1.6
117.07014	13.2
119.08585	71.5
121.06510	3.5
121.10143	20.3
123.08084	16.8
123.11720	3.3
125.09647	2.0
127.86325	1.8
128.06233	8.9
129.06975	13.8
130.07794	5.9
131.08572	45.5
133.06563	1.7
133.10136	40.6
135.08072	7.3
135.11685	3.9
137.09715	1.4
141.07027	5.9
142.07782	16.3
143.08562	32.1
144.09348	7.4
145.10129	51.4
146.10893	1.9
147.08055	8.1
147.11697	14.6
147.16008	1.5
149.09639	4.0
149.13358	3.4
153.26401	1.4
154.07791	2.5
155.08549	14.0
156.09348	25.1
157.10132	49.3
158.10919	10.7
159.07961	3.3
159.11681	25.0
160.12453	2.6
161.09651	5.2
161.13268	4.8
163.11220	4.4
165.07016	4.7
167.08627	3.3
168.09393	3.6
169.10115	17.9
170.10898	21.6
171.08035	2.4
171.11694	45.5
171.69197	1.5
172.12540	3.5
173.09599	3.4
173.13258	41.8
175.11166	11.2
179.08580	4.9
180.09286	3.6
181.10078	10.1
182.10844	3.3
183.11688	12.2
184.12431	3.2
185.09663	4.3
185.13251	66.5
186.14064	8.2
187.11195	2.9
187.14822	17.5
187.16310	2.5
189.12749	4.3
193.10167	5.2
194.10950	6.0
195.11720	14.7
196.12538	6.0
197.13231	7.6
198.14005	1.9
199.11198	8.0
199.14847	18.8
201.12668	4.0
207.11754	3.9
208.12495	2.5
209.13301	13.9
211.14821	21.0
213.12750	22.0
213.16426	2.4
221.13342	5.1
222.14029	3.2
223.14897	1.9
225.16469	5.2
227.14369	6.4
228.23611	2.0
236.15645	5.5
240.18852	2.0
241.19490	12.7
251.17978	12.5
254.16837	2.7
269.19049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.02288	1.5
53.03942	3.0
55.01879	2.0
55.05513	20.1
57.03442	33.3
57.07060	4.5
59.04997	3.0
59.82140	1.6
65.03956	2.4
67.05512	74.9
69.06743	1.7
69.07075	24.4
69.64785	3.6
69.65186	6.7
71.04987	7.3
79.05500	45.9
81.03366	2.5
81.07063	100.0
83.04984	8.9
83.08628	16.3
85.06542	5.6
85.07022	1.5
91.05487	28.6
93.07051	72.9
95.04951	6.1
95.08614	33.4
97.06552	14.3
97.10198	2.5
99.08064	6.3
105.07056	10.8
107.08607	37.3
109.06526	3.6
109.10150	6.5
111.08080	10.7
111.96637	1.7
117.07015	12.5
119.08607	3.9
121.06503	2.9
121.10154	20.0
123.11735	2.6
125.09651	1.6
129.06940	1.8
131.08563	15.9
133.10135	12.3
135.08049	2.9
135.11711	13.3
139.11198	2.0
147.11726	2.9
149.13278	46.2
151.11206	2.9
159.11708	29.4
161.13257	3.2
177.12766	19.1
179.14268	1.7
185.13274	1.7
192.70171	1.9
195.13850	16.9
203.57515	1.6
213.14903	1.5
260.10703	2.4
269.17487	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03936	3.6
55.01881	6.4
55.05281	1.3
55.05518	20.7
57.03442	29.5
57.07064	4.9
58.06591	3.0
58.91130	1.2
59.05003	1.5
60.67659	1.2
65.03936	2.3
67.05509	74.8
69.03432	2.6
69.06735	2.1
69.07075	33.8
69.63420	3.6
69.63830	4.3
71.04997	8.2
73.53348	1.1
79.05499	46.5
81.07062	100.0
83.04988	12.7
83.08623	17.9
84.08136	1.4
85.06539	7.7
91.05493	27.9
93.07050	77.0
95.04973	7.5
95.08064	2.1
95.08611	27.4
95.99590	1.3
97.06542	25.4
97.10147	4.2
98.20852	2.6
99.04446	2.2
99.08086	6.9
101.06019	1.9
105.07028	11.3
106.88747	1.3
107.04959	3.0
107.07887	2.0
107.08602	34.3
109.06517	4.8
109.10189	12.0
111.04440	1.7
111.08086	11.6
113.06003	1.7
113.09634	1.9
115.05399	1.1
117.07036	14.9
119.08560	5.1
119.33847	1.3
121.06511	3.6
121.10142	19.1
123.08071	5.8
123.11718	3.5
125.05993	5.8
125.09608	3.2
129.05453	1.5
131.08575	15.5
133.10150	15.3
135.08072	3.5
135.11702	12.3
139.07544	9.4
139.11195	2.9
143.08566	2.3
145.10147	2.3
147.11697	2.9
149.09584	1.8
149.13266	48.5
151.07565	3.3
151.11162	3.0
153.09079	1.8
157.10153	3.0
159.10475	2.6
159.11700	28.7
167.07063	4.5
173.13293	3.2
177.09161	3.0
177.12756	14.1
179.14297	2.1
181.08643	8.0
183.11589	2.2
191.14383	6.3
195.10269	1.9
195.13817	17.7
201.12637	1.4
219.13870	8.6
233.15326	2.5
237.14882	1.7
243.60483	1.3
251.16400	5.8
269.17480	83.7
269.22406	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	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.93389	1.0
53.03968	1.4
54.33534	1.0
55.01865	4.0
55.05271	1.3
55.05516	16.0
57.03196	1.5
57.03438	17.8
57.07058	4.9
65.03933	3.3
66.16936	1.0
67.05506	96.1
69.03424	1.8
69.07069	24.5
70.11326	4.3
71.04999	8.4
71.08617	1.5
76.12646	1.0
79.05496	39.0
81.03380	2.6
81.07058	100.0
83.04986	8.6
83.08622	13.8
85.02895	1.9
85.06547	6.3
91.05479	19.7
93.07047	57.1
95.04994	5.4
95.08612	82.5
97.06528	13.2
97.10153	4.6
99.08102	5.0
105.07033	13.1
107.05010	1.4
107.08597	33.6
107.81594	1.0
109.06522	3.0
109.10161	31.9
111.08093	7.4
113.06035	1.5
113.09652	14.8
115.05424	1.2
117.07013	9.1
119.08591	9.9
121.06532	3.2
121.09338	1.9
121.10152	28.1
123.08062	4.2
123.11708	12.7
125.09648	2.1
130.07651	1.0
131.08559	17.2
133.10144	12.3
135.08041	4.0
135.11703	23.4
137.09601	3.6
137.13261	3.1
139.07593	1.4
139.11194	3.0
141.06941	1.5
143.08464	1.2
144.09419	1.3
145.10127	7.6
147.11694	7.2
149.09651	8.1
149.12054	1.8
149.13257	34.1
151.11180	3.3
153.12758	2.9
155.08498	1.2
157.10146	2.4
159.07822	1.4
159.11694	21.6
161.13275	2.6
163.11185	3.8
167.10672	6.5
173.13226	4.4
177.12769	13.3
179.14238	1.5
181.12218	4.6
183.11708	1.6
185.11795	1.2
185.13234	1.3
187.14795	2.5
189.16331	1.6
191.14397	1.3
191.17926	2.7
195.13799	13.3
199.14845	1.2
212.72765	1.3
215.17973	11.5
233.18925	6.9
243.45396	1.2
251.16295	2.6
251.17412	1.5
251.20073	19.7
251.22456	1.9
269.08063	5.8
269.17487	46.7
269.20837	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	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02379	0.8
53.03938	2.2
55.01862	2.3
55.05513	21.5
55.84362	0.8
57.03439	26.1
57.07065	3.3
59.04951	0.8
59.41661	0.7
65.03928	3.4
67.05508	74.1
69.03423	2.7
69.07070	26.3
69.19302	8.2
71.01356	1.0
71.04996	8.0
71.08607	1.0
73.02910	0.9
79.05500	41.8
81.03426	2.0
81.07059	100.0
82.81903	0.7
83.04985	10.9
83.08625	17.6
85.02891	1.8
85.06568	5.6
87.04456	0.8
90.87345	0.8
91.04906	1.3
91.05482	30.1
93.07047	66.9
95.04984	6.0
95.08611	28.1
97.06532	15.6
97.10158	1.8
98.21525	1.6
99.08095	5.4
105.04525	1.3
105.07042	11.4
107.04940	1.2
107.08598	34.1
109.06544	3.9
109.10159	7.1
111.08091	7.6
113.05976	1.3
113.09639	0.9
117.07027	13.6
119.08600	5.1
121.06514	1.8
121.10143	17.5
123.08061	2.8
123.11713	5.8
125.09624	2.4
131.08574	15.0
133.10144	15.3
135.08054	4.2
135.10718	1.0
135.11687	11.3
137.09602	0.8
139.07587	0.8
139.11188	2.1
145.10130	1.9
147.11682	2.5
149.09627	1.8
149.13269	39.9
151.07539	2.5
151.11153	2.4
153.09132	0.8
157.10199	1.7
159.11703	32.0
161.13260	3.1
163.11177	1.8
167.14323	1.9
172.93796	0.7
173.13289	2.4
177.12761	20.0
179.14267	4.6
183.11514	0.9
185.50839	0.8
193.12340	0.8
195.12007	1.1
195.13814	14.7
201.12784	2.1
213.14853	1.5
219.13857	1.0
233.15417	1.8
251.12798	1.5
251.16460	2.9
251.19873	1.2
269.17484	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03948	4.1
55.01864	4.1
55.05282	1.2
55.05516	18.8
57.03445	24.0
57.07059	2.8
59.04993	1.2
65.03940	1.7
67.05511	74.7
69.03442	2.2
69.07076	28.0
69.19657	2.1
69.20067	7.5
71.04996	5.9
71.39185	0.9
77.03971	0.9
79.05500	42.4
81.03411	2.1
81.07066	100.0
83.04988	8.3
83.08630	17.7
85.06551	7.7
87.04483	1.2
88.10153	0.9
91.04912	1.2
91.05489	29.1
93.07053	72.6
95.04984	6.6
95.08617	27.2
97.06544	17.5
97.10155	2.6
99.04452	1.4
99.08103	5.9
103.03954	1.1
103.12655	1.1
105.06374	1.7
105.07021	13.0
107.04968	1.1
107.08608	33.9
109.06522	6.4
109.10137	5.8
111.08078	9.5
113.06022	1.9
113.09650	1.5
117.07037	13.5
119.08566	4.3
121.06482	2.0
121.10156	17.2
123.08112	7.6
123.11725	6.5
125.09569	1.1
127.07533	2.7
131.08575	15.3
133.10133	17.9
135.08064	3.7
135.11713	14.0
137.09627	1.3
139.07521	1.7
139.11194	1.8
145.10098	1.4
147.11700	2.7
149.09654	1.8
149.13275	43.0
151.07550	18.0
151.11168	4.1
159.11705	35.1
159.13055	1.4
160.71707	1.0
161.13326	4.5
163.11230	1.0
167.14319	2.2
171.11588	1.1
173.13333	1.9
177.12784	19.9
179.14262	2.6
180.95818	1.2
187.14894	1.3
189.12775	3.3
191.10622	1.7
191.17923	0.9
195.10178	1.8
195.13828	14.0
204.51553	1.0
205.12265	1.2
207.13860	6.4
209.76115	1.0
213.14787	1.7
233.15395	3.2
251.12634	2.3
251.16397	7.0
251.20262	1.5
269.17496	98.2
290.18570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02385	1.3
53.03939	4.1
54.46026	1.2
55.01866	3.4
55.05275	1.6
55.05518	23.5
57.03445	22.8
57.07058	3.8
59.04987	4.0
65.03943	3.1
67.05508	74.8
69.03419	2.8
69.07072	30.7
69.64798	7.8
71.05010	6.7
79.05497	40.6
81.03429	1.9
81.07061	100.0
83.04994	8.9
83.08626	20.1
85.02898	1.5
85.06543	7.3
91.05486	26.9
93.07051	77.0
95.04980	7.3
95.08613	40.2
97.06541	21.2
97.10167	3.2
99.08081	4.4
105.07034	12.9
107.04948	2.5
107.08601	39.3
109.06493	6.4
109.10159	14.1
111.08096	10.5
111.11723	2.0
113.09656	1.2
117.07026	11.8
119.08569	6.0
121.06490	2.3
121.10165	19.3
123.08031	2.3
123.11721	6.3
125.06054	2.1
125.09657	3.4
131.08566	11.9
133.10117	17.1
135.08054	3.0
135.11690	13.1
139.11186	3.5
144.09311	1.6
145.10109	4.7
147.11650	4.1
149.09674	2.0
149.12039	2.9
149.13261	49.1
151.11172	3.8
152.05867	1.3
153.09137	1.6
157.10078	2.0
159.11697	35.5
161.09676	1.4
161.13231	6.4
171.11687	2.1
173.76318	1.3
177.12750	26.0
179.14363	4.4
191.14331	1.7
195.13820	15.3
213.14832	1.4
215.17999	1.9
233.15248	1.6
233.19031	5.5
241.15738	1.4
251.20100	18.7
269.17471	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02881	0.6
53.03933	0.7
55.01855	1.7
55.05486	1.0
56.05008	0.8
57.03437	7.5
57.07076	0.9
65.13901	0.7
67.05491	1.8
69.03407	1.6
69.07087	3.6
69.07401	0.9
70.06601	5.1
71.04981	0.9
71.47408	1.0
72.08162	0.8
74.06076	1.2
75.04479	3.6
79.05473	2.4
80.12859	0.5
81.03419	0.8
81.07042	2.4
83.04977	1.3
83.08629	0.6
84.04467	0.9
84.08136	2.4
85.02896	1.0
86.09711	4.6
86.79012	0.7
87.10023	0.6
89.03921	8.8
91.05478	4.1
91.20041	0.7
93.07058	3.5
95.04965	2.0
95.08590	2.1
96.41746	0.6
97.06523	2.5
99.04456	1.2
103.05465	1.0
105.07033	1.4
107.04925	2.2
107.08582	2.7
108.82942	0.7
109.02897	0.9
109.06520	1.8
109.10143	1.6
110.07195	1.7
111.04443	1.8
111.08073	1.2
115.08685	1.2
117.03390	27.1
117.06998	1.0
119.04945	1.5
119.08594	1.5
120.08112	2.0
121.06502	2.8
121.10168	1.7
123.08054	2.1
125.06017	1.1
125.09643	0.8
129.06946	0.7
129.10268	0.7
131.05014	0.7
131.08543	1.4
131.36832	0.6
132.91492	0.8
133.02872	0.7
133.10143	0.8
134.03632	5.0
135.04430	2.9
135.08081	1.1
136.06184	0.7
137.09666	0.7
141.08961	0.8
145.02856	53.4
145.06468	1.3
145.10139	1.4
147.04370	0.8
147.08054	0.7
149.06000	10.7
151.07578	0.7
153.05478	1.5
153.09056	0.8
161.05939	0.8
162.03065	3.3
163.03934	6.0
163.07472	1.2
163.11159	1.4
165.09212	0.9
173.09604	0.8
177.05478	100.0
180.04198	4.1
187.07567	1.1
187.11121	1.2
191.03439	0.8
193.05020	1.7
195.06541	14.9
195.08263	1.1
205.12244	1.3
209.11774	0.7
215.07098	2.9
219.06442	2.0
221.08226	0.8
223.07620	1.0
223.09552	0.6
233.08102	2.0
233.11662	1.1
233.15501	0.8
237.15005	0.8
251.09067	5.6
251.12878	1.6
251.16409	1.4
262.08881	0.7
269.10001	2.3
269.13727	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	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.30497	0.1
55.01871	0.4
57.03435	0.5
60.18663	0.1
69.03448	0.3
70.71815	0.1
71.01338	0.1
71.25671	0.3
73.02924	0.2
83.79899	0.1
85.02918	0.4
90.82895	0.1
92.35295	0.1
93.02647	0.1
94.04055	0.3
99.28475	0.1
102.41079	0.1
115.03989	0.1
119.03554	0.8
133.04945	0.3
136.06195	100.0
137.04596	0.3
137.06557	0.2
185.42661	0.1
190.59129	0.1
243.30771	0.1
244.92599	0.1
268.10406	8.7
273.59021	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01866	0.5
57.03430	0.5
57.55162	0.1
68.94385	0.1
69.03430	0.4
70.96238	0.2
70.96585	0.4
73.02890	0.3
73.78349	0.2
85.02895	0.4
94.04057	0.4
94.84350	0.2
119.03532	0.9
136.06184	100.0
137.06581	0.2
151.94174	0.2
152.59178	0.2
268.10400	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75029	2.0
59.14434	2.4
71.50916	4.4
72.08167	2.4
94.93002	8.0
108.52206	2.2
134.96144	14.9
136.06187	100.0
137.04883	3.6
137.06635	38.4
145.08859	2.4
150.92001	3.3
162.95546	3.1
164.93573	22.6
178.95132	13.7
188.93512	6.5
250.93594	17.3
268.10361	5.1
268.94611	83.5
269.10718	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	268.9462
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11944	3.9
70.33576	10.6
71.27033	2.9
83.06119	5.9
84.08144	9.0
86.09706	3.8
89.06007	4.0
89.57987	2.9
94.93059	6.5
98.20858	3.9
102.89167	3.7
109.32505	3.3
110.07172	48.4
113.80152	3.4
134.96123	19.3
136.06207	12.0
136.07561	7.2
156.07661	15.3
164.93524	27.1
178.95079	17.0
188.93544	9.3
222.94061	3.1
223.87506	3.2
229.19928	3.8
250.93575	10.2
268.94647	100.0
268.97601	6.0
269.11252	5.3
269.16162	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	267.1592
Annotation	10alpha,14-Epoxy-3beta-hydroxy-12,6alpha-guaianolide
Peak:m/z	Relative Intensity
53.03945	3.3
55.01878	17.1
55.05510	10.2
57.03436	5.0
57.07068	3.1
59.04994	7.7
59.35238	1.4
63.51171	1.3
66.85789	1.3
67.05190	1.6
67.05518	20.2
69.07072	12.4
70.86620	2.2
71.05002	11.2
79.05498	18.3
81.03423	23.1
81.07066	42.8
83.04977	15.9
83.08637	3.3
85.02909	2.3
85.06567	4.1
85.10210	1.7
91.05488	14.1
93.07030	10.8
93.53047	1.5
95.04989	21.7
95.08613	15.7
97.02917	1.7
97.06538	60.2
99.04438	2.1
99.08099	3.2
101.06027	15.0
105.03412	1.7
105.07037	32.0
107.04973	8.6
107.08602	7.7
109.06530	9.3
109.10143	9.1
111.04455	55.3
111.08099	5.6
113.05995	5.4
113.09637	2.1
117.07033	2.7
119.04953	1.6
119.08581	13.3
121.06496	4.1
121.10158	9.2
122.55953	1.5
123.08083	32.8
123.11691	2.3
125.01191	1.4
125.06003	100.0
127.11224	1.7
129.05493	5.2
129.07019	6.6
131.08556	4.7
133.06487	4.3
133.10155	5.9
135.04422	1.6
135.08049	4.7
135.11673	2.7
137.06009	10.8
137.09616	2.6
139.07542	8.4
142.07814	2.0
143.07069	11.9
143.08568	5.8
145.10136	3.4
147.08058	6.7
147.11694	9.1
149.09648	4.0
151.07611	7.2
153.05473	31.7
155.08574	2.7
156.09416	2.0
157.08769	10.2
157.10126	9.2
161.13364	1.5
163.07516	3.6
163.11226	2.5
165.09103	3.4
165.12798	3.4
165.74345	1.7
171.06609	3.4
171.07982	1.5
171.11696	5.2
175.11211	12.3
181.08617	4.3
181.10091	2.2
185.08104	2.9
189.12773	12.0
191.10745	1.8
193.08545	1.6
193.10437	2.4
193.12251	48.9
199.11185	7.0
207.13789	4.4
209.11748	2.3
217.12251	34.9
231.13834	3.1
235.13316	30.0
249.14876	12.6
249.18484	4.0
256.50604	1.7
267.15787	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	267.1957
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03937	4.0
55.01880	8.9
55.05518	63.3
56.96580	1.2
57.03423	3.5
57.07051	1.8
59.04953	1.3
67.05511	27.8
69.03415	2.3
69.06728	1.4
69.07074	18.6
71.04971	3.9
77.72569	1.0
77.77985	0.8
79.05502	14.7
81.03425	13.8
81.07065	19.9
83.04976	5.8
83.08627	100.0
85.06540	1.7
90.22321	0.9
91.05492	31.9
93.06487	1.9
93.07050	28.2
95.04969	7.6
95.08615	25.6
95.54253	0.9
97.06531	3.7
97.10159	0.9
99.04406	0.9
99.08058	2.5
105.07037	12.8
107.04945	2.6
107.08614	8.3
109.06524	4.3
109.10172	13.1
111.04438	1.5
111.08089	34.8
117.06973	2.9
119.04968	1.2
119.08595	38.7
121.06500	1.9
121.10151	30.9
123.08073	14.0
123.11716	2.1
125.06010	1.3
125.09634	1.7
128.06230	1.6
129.07011	2.7
129.09114	6.5
131.08563	4.5
133.10120	10.5
135.08051	2.0
135.11705	3.5
137.09630	25.8
139.11206	11.6
143.07019	1.6
143.08534	2.1
145.10109	2.9
147.08051	7.8
147.11682	7.7
149.05917	1.4
149.09612	3.2
149.13335	1.2
151.07521	2.1
151.11182	8.0
155.10660	1.5
157.10104	3.7
161.09592	2.4
161.13277	2.1
163.11200	3.0
165.09117	5.7
165.12749	5.3
171.11673	4.2
173.13301	1.3
175.11223	3.1
181.12303	1.4
187.14816	2.1
189.12747	1.9
189.16345	1.6
193.08720	1.3
193.10695	1.0
193.12199	5.9
196.16978	1.0
203.14359	1.0
203.18065	5.1
207.13835	2.2
209.13182	1.0
213.16360	3.7
221.19032	1.3
231.13934	1.7
231.17459	7.4
249.14836	2.3
249.18530	33.2
267.15515	7.5
267.19751	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	267.1591
Annotation	Heliannuol L
Peak:m/z	Relative Intensity
50.15481	2.0
53.03932	1.7
55.05490	5.4
57.03421	5.8
57.07067	7.4
59.05015	7.6
66.85684	1.5
67.05505	11.3
69.03428	18.3
69.07043	6.3
69.24525	14.4
71.01334	3.8
71.04975	5.6
78.28503	1.5
79.05484	13.3
81.03410	16.6
81.07063	28.2
81.20419	1.5
83.04966	7.1
83.08627	3.5
85.02888	1.8
85.06525	5.1
86.09761	1.7
86.53907	1.6
87.04440	2.8
91.05492	19.5
93.07055	22.4
95.04958	29.3
95.08615	18.1
97.02863	4.9
97.06509	5.2
99.04434	2.1
105.03362	2.9
105.07034	26.7
107.04953	3.2
107.08593	15.1
109.06522	11.3
109.10135	10.0
110.45992	1.6
111.04424	6.4
111.08075	3.8
113.02314	1.9
113.99640	1.5
117.07004	6.0
119.08585	28.8
120.08882	4.6
121.06506	16.2
121.10139	14.2
123.04420	2.5
123.08070	33.5
123.11704	1.8
125.05985	3.1
127.07571	1.8
128.06198	2.6
129.06976	7.0
131.08533	6.0
133.06509	23.5
133.10129	14.2
135.08067	8.0
135.11685	3.6
137.05951	2.8
137.09622	3.3
142.07834	2.0
143.08540	5.6
145.06442	2.6
145.10085	7.7
145.31749	1.5
147.08047	25.1
147.11635	6.1
148.08366	4.3
149.05971	22.4
149.09637	22.3
151.07547	86.5
151.11179	2.8
156.09387	3.2
157.10133	9.0
159.11644	4.8
161.09624	4.4
161.13232	4.0
163.07506	6.9
163.11154	4.6
164.08224	1.7
165.09065	5.3
167.07082	2.0
170.10880	2.5
171.08072	3.1
171.11708	7.6
173.09599	7.3
173.67523	1.7
175.07550	16.0
175.11134	3.7
175.14738	3.1
180.09232	1.9
181.08553	5.4
183.05676	2.0
184.06038	4.8
185.13237	5.4
187.11192	5.4
188.11983	3.2
189.09161	2.1
189.12784	23.8
193.08597	81.9
193.12256	3.9
195.11667	6.3
198.10390	3.7
203.14310	8.1
207.13733	4.2
211.09605	5.3
213.12746	25.5
221.08031	1.6
221.15312	4.7
231.11777	3.4
231.13829	42.7
249.14854	100.0
267.09647	5.8
267.15875	83.4
285.10233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1229
Annotation	Goniothalesdiol A
Peak:m/z	Relative Intensity
53.02278	0.6
53.03944	0.7
55.01859	1.8
55.05514	5.0
57.03423	2.4
57.07060	1.3
59.04995	0.9
65.03929	0.8
67.05511	5.6
68.99776	1.4
69.03410	2.1
69.07072	5.5
70.06583	0.8
71.04979	1.9
71.52120	0.6
71.52494	0.8
79.05501	5.6
81.03424	6.9
81.07058	5.1
83.04982	12.0
83.08611	1.2
84.08150	0.8
85.02905	2.3
85.06513	0.8
86.09736	0.7
87.84149	0.6
91.05491	6.5
93.07043	4.1
95.01312	0.7
95.04975	7.5
95.08624	3.5
97.06529	5.4
99.04440	1.3
105.03363	0.7
105.07040	8.2
107.04961	6.6
107.08586	2.6
108.02070	1.5
108.04481	1.8
109.02872	2.8
109.06521	4.3
109.10130	1.9
111.04456	1.5
111.08125	1.6
113.05958	1.4
115.05475	1.0
116.97202	1.5
117.07000	0.9
119.04953	2.3
119.08576	5.2
120.08061	1.3
121.02854	0.6
121.06553	2.9
121.10125	1.2
123.04443	11.8
123.08054	2.3
125.06013	1.2
127.03887	1.5
128.06215	3.1
129.07007	4.8
131.04973	0.7
131.08556	2.4
132.05704	2.0
133.06487	6.0
133.10106	3.8
135.04439	1.3
135.08044	1.8
136.01558	9.3
137.02321	1.0
137.05959	2.5
137.09628	1.5
139.00276	1.6
139.03867	1.5
139.07503	1.8
140.04655	1.7
141.05498	1.5
143.08562	2.0
144.05621	0.7
145.06462	1.7
145.10078	1.7
146.03479	0.6
146.07257	3.2
147.04388	3.9
147.08032	2.8
147.11694	2.3
151.03972	3.8
151.07582	3.5
153.01855	1.1
153.05455	4.8
153.09132	0.7
154.02632	8.0
155.03358	2.7
155.07060	0.7
156.44167	0.7
157.06464	1.9
157.10136	1.6
157.66119	0.8
159.04335	0.8
159.08060	1.1
159.11670	1.1
160.05145	1.0
161.05898	1.2
161.09619	8.3
161.13292	0.8
163.03831	1.1
163.07588	0.9
163.11229	1.4
164.01045	3.1
165.09155	1.5
167.07063	1.7
168.04158	1.8
168.10229	3.7
169.04918	4.8
170.05748	9.3
171.08098	0.9
171.11708	1.1
173.09579	1.1
174.06845	1.2
175.07591	2.8
175.11172	2.7
177.05496	0.9
179.03394	6.1
179.07088	0.8
179.10663	1.3
180.04150	1.0
182.00558	1.3
182.02106	16.2
183.06538	28.1
185.13309	0.7
189.09114	5.7
189.12741	2.4
191.06999	1.5
191.08560	0.7
193.04970	2.4
193.08632	1.2
193.12218	1.8
196.09683	2.2
197.04459	100.0
200.03171	9.0
203.07164	1.5
203.14320	1.3
207.06509	2.5
207.10152	1.5
207.13861	1.8
209.11652	0.7
211.05998	8.3
213.12802	1.1
217.08621	14.8
217.11954	0.7
219.06485	6.7
219.08276	0.6
221.12808	3.9
221.15202	1.2
231.13832	1.8
234.08881	9.9
235.09659	5.8
241.86954	0.6
249.11232	16.8
249.14862	2.9
251.10782	0.9
265.41113	0.7
267.12268	26.5
267.15952	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	266.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23810	0.3
56.96564	0.3
57.03439	0.5
61.79847	0.3
67.05511	0.9
68.99751	0.3
70.02961	0.6
71.04978	0.3
71.52260	0.5
79.05508	0.6
81.07084	0.5
85.02924	0.5
87.00833	2.2
90.22004	0.3
91.05480	1.4
93.07050	2.0
93.82796	0.3
95.08628	0.5
103.05474	5.6
105.07035	0.5
107.08621	0.3
118.06559	9.6
120.08112	100.0
121.06509	1.3
128.04984	0.6
131.04919	0.7
144.08051	0.4
146.04839	0.7
146.06012	13.5
159.11552	0.4
178.08672	0.4
180.10188	2.8
188.07082	17.7
194.67107	0.3
206.08139	78.4
216.06592	0.6
232.63683	0.3
234.07640	2.4
248.09210	1.5
248.17384	0.5
266.10297	0.9
266.14514	1.2
266.17740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
53.51952	0.7
54.93592	0.6
55.01860	1.5
55.05523	4.1
55.40245	0.6
56.96545	0.6
57.07069	0.9
59.04996	1.1
63.12581	0.6
64.83253	0.5
67.05508	4.8
69.03423	2.5
69.07056	2.7
70.06571	0.6
71.03152	1.1
71.05007	1.5
73.02892	0.7
79.05499	4.8
81.03422	3.1
81.07068	7.1
83.04964	2.0
83.08632	3.1
85.02899	0.8
85.06523	0.7
91.05492	5.1
93.07050	3.4
95.04972	3.4
95.08611	5.4
97.06506	1.5
98.02521	0.6
98.06053	0.6
98.97594	0.8
99.04440	1.7
100.11270	7.3
103.05456	0.7
105.03363	0.8
105.07043	5.6
107.04996	2.8
107.08597	4.6
109.06545	6.8
109.10178	3.4
111.04446	1.1
111.08092	1.3
113.06033	1.4
117.07064	0.8
119.08598	6.3
120.08095	2.0
121.06523	1.5
121.10165	2.6
122.07230	0.6
123.08070	5.4
123.11703	0.8
125.05995	1.5
125.09587	0.9
129.07030	1.3
131.08582	1.8
133.06549	1.4
133.10139	3.8
135.04431	3.4
135.05333	0.7
135.08081	1.4
135.11696	0.9
137.06036	1.3
137.09622	1.1
143.08586	1.2
145.06438	0.7
145.10133	1.9
147.08069	2.5
147.11725	2.7
149.06009	1.3
149.09636	1.8
151.07568	7.8
151.11229	0.7
153.05417	0.7
157.10158	2.0
159.11676	0.9
161.09656	1.7
161.13216	0.9
163.11180	0.7
165.07028	0.9
165.09103	2.6
165.12791	0.9
167.07065	0.7
168.13815	1.5
169.08688	1.4
171.11711	1.1
173.13272	0.7
174.61542	0.6
175.07559	1.0
175.11217	2.1
175.14822	3.7
185.09569	0.8
185.13203	1.6
185.16483	3.1
187.11266	0.8
189.09084	1.0
189.12761	3.0
192.08791	1.3
193.08490	6.0
193.12267	1.3
195.64728	0.6
199.18098	1.4
203.10587	1.1
203.14386	3.8
205.12067	0.6
206.05951	0.7
207.08510	0.7
207.10283	1.3
207.13795	2.5
208.14484	0.6
209.07889	12.5
220.08487	1.3
221.15392	1.2
225.11272	1.4
231.10184	1.4
231.13820	9.3
235.09523	0.8
237.08090	0.6
249.11087	4.9
249.14883	5.9
249.17351	0.8
250.09473	5.0
267.12076	100.0
267.15836	8.8
267.20486	4.8
275.48282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
58.06589	0.7
69.63506	1.9
70.02956	0.4
70.06595	0.6
74.44807	0.3
77.03912	0.3
79.05506	0.5
86.09731	0.5
91.05479	1.1
93.07037	1.4
98.97587	0.7
101.02374	2.4
101.79484	0.3
103.05467	5.7
105.03387	2.1
105.07018	0.6
107.04951	0.7
118.06541	2.9
119.03410	0.9
119.08546	0.3
120.08102	100.0
121.06519	2.0
121.95910	0.3
122.03249	0.3
126.60546	0.3
131.04945	0.7
133.10129	1.3
146.06012	8.1
160.07513	0.4
161.09605	0.5
166.08650	2.0
179.10612	0.4
188.07030	3.7
192.06544	0.4
202.08623	1.2
220.09685	48.0
248.09161	0.7
266.10287	0.7
271.04681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05518	3.5
57.07083	4.7
57.44658	0.7
65.03430	0.7
67.05505	4.5
69.07072	5.2
70.06592	1.3
71.08632	2.4
71.51765	0.9
74.71474	0.6
79.05500	4.0
81.07058	5.8
83.08619	3.2
85.06551	6.4
85.10200	0.9
88.07610	1.4
91.05489	7.3
93.07050	7.7
95.04980	1.0
95.08608	8.6
97.06533	1.3
102.09113	0.8
105.07035	15.7
107.08597	9.8
109.06539	1.0
109.10180	5.5
111.08082	0.9
115.05452	0.8
117.07017	3.5
119.08588	20.6
121.10146	7.1
123.11678	0.8
125.06027	1.7
128.06223	5.3
129.07001	2.9
130.07782	1.4
131.08578	8.3
132.10216	3.4
133.10141	5.6
135.11685	1.6
141.07004	1.6
142.07788	6.2
143.08565	18.9
144.09396	1.3
145.10127	9.7
147.11697	2.8
149.13329	0.7
151.09634	0.7
153.07013	0.8
154.07747	1.0
155.08569	3.1
156.09418	3.8
157.10146	16.1
159.11720	6.5
160.12520	1.2
165.07028	3.0
166.07819	1.3
167.08548	3.7
168.09355	1.2
169.10152	5.7
170.10925	1.8
171.11708	13.2
173.13324	4.0
179.08566	7.0
180.09291	3.9
181.10130	8.5
183.11702	4.7
185.13268	4.7
190.60300	0.8
192.09332	1.1
193.10150	6.0
194.10951	7.1
195.11720	14.4
196.12518	2.1
197.13223	3.3
202.26398	0.7
207.11708	4.7
208.12469	5.0
209.13258	24.3
210.14020	2.5
221.13264	3.3
222.14061	2.6
223.14848	13.7
235.14822	4.4
236.15611	1.5
237.16396	2.0
241.98642	1.1
247.24240	1.1
250.16887	3.3
256.26416	5.0
265.19556	100.0
265.59491	0.7
266.19861	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Speciosin K
Peak:m/z	Relative Intensity
52.91350	1.8
53.03933	4.4
55.01857	7.0
55.05511	26.0
56.62400	1.7
57.03413	2.6
57.07061	6.9
59.04989	3.8
60.31606	1.8
65.03915	2.0
66.46611	1.7
67.05505	26.4
69.03415	7.4
69.07064	18.1
69.69436	6.1
69.69871	6.9
71.04995	5.0
75.04463	3.6
77.03912	2.0
78.15840	1.8
79.05494	26.3
81.03403	7.9
81.07059	47.0
83.04980	15.1
83.08621	13.3
85.02879	5.0
85.06532	12.5
91.05479	30.1
93.07042	41.3
95.04982	17.1
95.08608	33.0
97.02900	2.7
97.06526	12.3
99.08070	2.5
101.06017	3.7
105.07027	37.9
107.04946	7.9
107.08600	43.8
109.06535	15.1
109.10150	19.3
111.04436	4.1
111.08065	7.1
113.06010	2.7
113.11580	2.1
115.05436	3.7
116.06219	2.0
117.07003	16.6
119.08585	67.9
121.06525	7.6
121.10145	27.1
122.07144	2.4
123.08077	13.4
123.11703	4.7
125.06001	14.7
125.09692	2.3
128.06223	2.7
129.06949	5.5
129.66536	2.0
130.07840	3.6
131.08577	43.7
133.06444	5.5
133.10130	35.6
135.07150	2.2
135.08072	12.8
135.11713	11.8
137.09596	8.1
139.07553	5.5
141.06937	2.6
142.07767	2.1
143.08559	11.6
144.09354	5.1
145.06474	7.2
145.10132	57.8
147.08026	10.1
147.11722	14.6
149.09616	20.1
149.13258	4.6
151.07529	4.7
151.11147	2.6
153.09065	2.5
155.08559	6.5
156.09340	4.8
157.10092	10.1
158.07254	4.9
158.10912	9.4
159.08075	9.9
159.11700	26.6
161.09583	11.2
161.13231	6.5
163.11189	10.7
165.09169	11.2
167.10654	3.6
169.10081	9.9
170.10945	4.9
171.11693	15.3
172.12515	2.2
173.09636	26.8
173.13274	65.5
175.11198	6.2
175.14824	3.5
177.09184	4.4
177.12761	2.8
178.09781	3.7
179.10632	4.0
181.10114	5.6
181.12270	3.6
183.11638	4.8
185.13271	7.8
187.11235	16.8
187.14819	30.2
188.15535	2.3
189.12643	4.6
189.16374	4.4
191.08905	2.4
191.10657	16.9
191.14342	4.1
196.12468	5.7
199.11224	3.9
199.14854	6.8
201.12794	5.8
201.16354	17.4
203.14429	2.7
205.08408	2.5
205.12244	9.7
205.15857	3.6
209.11713	6.3
211.14792	15.0
214.13525	7.0
217.16090	2.5
219.13773	5.6
223.13243	3.0
223.16998	2.7
229.15887	30.4
235.07365	2.6
241.96056	4.4
247.13158	3.2
247.16945	100.0
265.12112	5.1
265.14523	9.5
265.17984	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1802
Annotation	Speciosin K
Peak:m/z	Relative Intensity
55.01873	3.8
55.05515	11.7
55.71838	1.5
57.03424	2.5
57.07079	2.8
66.42320	1.4
67.05185	2.0
67.05512	26.9
69.03448	1.9
69.07074	10.4
71.03307	3.1
71.04996	3.7
72.46485	1.4
73.06561	4.5
79.05506	30.1
81.03423	3.3
81.07069	28.2
83.04989	4.6
83.08628	14.8
85.02911	3.4
85.06543	8.3
91.05488	27.8
93.07055	42.6
95.04980	9.1
95.08618	17.7
96.48056	1.4
97.02898	1.5
97.06551	13.4
98.97589	2.2
99.08099	4.2
103.05499	2.3
104.65836	1.5
105.07043	21.5
107.04951	6.4
107.08606	28.6
108.08076	1.5
109.06532	7.7
109.10171	6.5
111.04489	2.3
111.08092	13.6
113.05997	1.8
117.07054	12.3
119.08585	21.1
121.02865	1.4
121.06526	8.0
121.10145	22.0
122.07130	1.8
123.08092	9.1
123.11688	2.7
125.05972	4.6
125.09625	2.3
128.06276	1.8
129.07018	6.1
130.07864	1.7
131.08577	31.8
133.06494	2.9
133.10126	15.6
135.08075	20.2
135.11690	4.8
137.06013	2.5
137.09633	12.8
139.03851	1.8
139.07552	3.6
139.11121	1.7
141.07007	3.8
143.08578	3.7
145.10149	20.7
147.08051	6.4
147.11697	6.2
149.09644	33.4
149.13348	1.8
151.07535	3.5
151.11124	2.9
153.09100	4.2
155.08633	3.1
157.10132	2.6
159.08124	3.2
159.11717	5.4
161.09663	3.9
163.11188	10.2
165.09183	3.1
165.12782	1.7
167.10710	2.5
169.10146	9.7
173.06042	2.4
173.13264	4.4
179.08557	8.9
179.10736	1.4
183.11678	3.9
185.13264	5.2
187.11189	3.9
187.14845	14.9
189.07008	4.4
190.07777	5.1
191.07076	1.9
191.08592	13.6
191.10478	3.3
193.10170	2.2
201.12770	3.9
201.16353	8.7
202.07874	1.9
203.08528	8.8
203.14420	2.3
205.06427	2.5
205.08440	2.4
205.10165	5.1
205.12169	3.4
206.07364	1.5
207.08128	13.3
207.13814	1.7
211.14822	33.5
217.06468	3.1
218.07329	8.7
219.08112	16.1
219.13832	2.1
221.06059	6.2
221.09743	7.4
222.10486	2.1
229.12315	2.9
229.15900	30.2
231.08102	1.7
233.09592	6.3
233.15393	2.1
234.10425	35.5
235.07559	41.7
235.09698	1.4
236.08372	8.4
247.09738	1.9
247.13297	4.6
247.16965	49.1
249.09096	6.1
250.09909	49.7
265.12238	100.0
265.14355	6.0
265.17938	50.4
265.20450	3.2
265.24762	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	265.1548
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
55.01870	0.3
55.05520	0.3
56.05037	0.3
57.05808	0.4
67.05501	0.3
69.07056	0.4
69.63954	0.2
69.73650	1.4
70.06602	2.0
72.08159	100.0
79.05521	0.3
81.07054	0.7
84.04509	0.6
84.08137	0.6
85.02899	0.3
86.09704	1.0
88.19273	0.2
91.05503	0.6
93.07051	0.4
95.05000	0.3
95.08612	0.5
96.08138	0.5
98.09705	0.3
98.97602	0.2
100.07676	0.3
105.03408	0.3
105.07060	0.3
107.12505	0.2
109.10129	0.3
110.07185	0.3
111.08108	0.3
117.20797	0.2
119.08617	0.4
121.06523	0.3
124.07609	0.8
124.11222	2.0
133.04994	0.3
135.43834	0.2
142.12312	0.3
147.04442	0.5
150.09143	0.3
160.11584	0.2
165.07304	0.3
175.07518	0.3
177.05504	0.4
180.10249	0.3
205.12280	0.3
219.08308	0.3
247.13428	0.4
265.06177	0.5
265.15506	13.3
265.18921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	gamma-Perezol
Peak:m/z	Relative Intensity
53.03936	0.9
53.30996	0.4
55.01871	1.0
55.05507	1.6
57.07079	3.5
59.05011	2.6
65.03936	0.6
67.05502	3.4
69.03421	1.3
69.07063	1.6
70.06587	0.5
70.27351	1.5
71.01351	8.9
71.04981	1.2
73.02921	0.4
77.17717	0.4
79.05496	3.0
81.03407	1.5
81.07056	5.7
83.04987	2.5
83.08632	1.0
83.94628	0.4
85.02901	1.5
85.06534	2.3
91.05477	3.4
93.07041	6.0
94.52255	0.5
95.04977	2.8
95.08617	2.9
97.02903	0.5
97.06548	2.6
99.04457	7.6
105.03378	0.5
105.07034	3.1
107.04970	2.5
107.08599	4.7
109.06516	2.1
109.10145	1.8
111.04432	3.5
111.08056	1.4
113.02370	8.5
115.05466	0.9
117.07032	2.3
119.04928	0.8
119.08597	5.6
121.02886	0.8
121.06506	7.0
121.10143	5.7
122.07156	1.5
123.04431	4.1
123.08080	1.5
125.05992	2.9
127.03881	0.7
129.06990	0.9
131.04895	0.6
131.08557	1.8
133.06523	0.8
133.10118	2.7
135.08055	3.2
135.11684	1.8
137.05988	7.9
137.09634	1.5
139.03893	1.1
139.07530	3.1
142.07742	0.5
143.08545	1.3
144.09344	0.5
145.06470	2.0
145.10121	7.4
147.08031	1.2
149.05984	7.7
149.09612	1.0
149.13269	0.6
151.07535	1.6
155.08601	0.9
157.10083	0.9
159.08046	0.6
159.11707	3.2
161.05965	0.8
161.09616	1.5
163.07556	7.5
163.11160	3.7
165.05478	5.0
165.09122	0.5
167.07045	13.6
169.10095	0.8
173.06004	1.8
173.09624	1.1
173.13225	0.6
175.07573	0.4
177.12747	1.2
178.72081	0.4
179.07039	4.0
179.08475	0.7
181.08607	2.2
183.11734	1.1
187.11203	8.5
189.09053	0.5
191.07030	10.4
191.08492	0.5
191.14395	0.6
201.12737	2.0
201.16289	0.8
205.08519	1.0
205.12248	9.7
207.08128	0.7
207.10110	1.0
209.08099	20.8
219.08173	0.7
219.13747	2.1
223.13257	4.1
229.12228	3.8
233.09465	0.4
234.10426	1.5
235.07553	1.7
247.13298	10.6
247.17006	1.5
250.09866	2.6
265.14371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Jesterone
Peak:m/z	Relative Intensity
50.34347	0.9
52.84677	1.0
53.03946	1.3
55.01867	2.9
55.05501	4.2
56.96553	1.2
57.03438	1.0
57.07072	3.2
59.04992	3.1
65.03953	1.3
67.05505	7.7
69.03413	2.4
69.07057	4.1
69.62722	4.9
71.04984	1.4
77.03936	1.4
79.05492	9.0
81.03410	1.2
81.07060	13.4
83.04972	1.9
85.02898	3.0
85.06541	5.4
91.05479	12.2
93.07049	8.4
94.65788	1.0
95.04962	4.7
95.08595	8.7
97.02917	1.7
97.06523	3.2
98.20760	1.8
99.04469	1.1
103.05504	1.7
105.07038	6.9
107.04948	16.3
107.08600	16.5
109.02866	1.2
109.06509	4.6
109.10153	5.8
111.04433	3.7
111.08105	1.2
113.02362	3.4
115.05453	4.4
117.07019	13.3
119.04927	1.6
119.08583	10.3
121.02837	1.4
121.06485	5.2
121.10157	4.1
122.07157	3.9
123.04416	3.5
123.08067	4.1
123.11687	1.4
125.05987	3.1
127.03896	1.2
129.06999	2.5
131.04860	1.3
131.08574	5.6
133.06485	2.0
133.10143	2.6
135.08057	16.4
135.11676	3.4
137.06003	2.1
137.09602	1.4
140.74388	1.1
142.07892	1.5
143.08615	1.8
144.09271	1.0
145.06488	11.3
145.10138	5.4
146.07208	1.5
147.08061	6.3
147.11713	1.9
149.05988	3.6
149.09605	2.8
151.07527	2.8
155.08540	1.5
156.05684	2.5
157.06528	1.1
158.07355	1.2
159.08047	3.3
159.11668	7.0
161.06042	2.3
161.09634	3.4
162.06740	4.9
163.07550	16.0
163.11189	3.0
165.09178	1.8
167.06995	1.1
167.08574	1.4
168.09326	1.0
169.10091	1.6
172.08839	3.2
173.05972	11.0
173.09558	1.9
173.13223	2.4
175.07603	1.1
175.11195	1.2
177.12744	1.5
179.07021	3.4
179.10608	1.5
179.84299	1.0
181.06561	1.9
181.08574	2.0
183.11716	2.2
185.13254	1.0
187.11182	9.9
187.14899	2.1
189.09160	1.8
190.06290	4.1
191.07033	100.0
196.08818	2.5
201.12740	3.9
201.16389	1.2
203.06996	1.8
205.08563	8.2
205.12277	2.8
205.15939	1.1
209.08107	21.4
211.11241	3.5
217.08644	4.5
219.13841	3.6
219.17365	1.4
229.12219	21.9
229.15913	2.5
235.07567	1.1
236.34483	1.2
247.13295	58.0
247.16991	3.3
250.09785	1.4
265.12125	3.1
265.14352	38.4
265.17932	7.9
265.23590	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	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03952	5.2
55.01867	3.6
55.05508	12.4
55.99774	2.1
57.45079	2.2
65.03922	8.0
67.05194	2.3
67.05510	32.6
69.03095	2.9
69.03434	39.5
69.07042	4.9
69.85109	13.4
71.04981	7.2
72.08154	4.6
79.05495	23.2
81.07066	19.8
83.04962	10.4
84.79066	2.1
85.06544	2.6
86.09700	3.9
91.05492	53.6
92.14116	2.2
93.03395	7.9
93.07054	38.0
95.04981	46.0
95.08616	18.4
97.02928	4.9
97.06517	7.4
98.21455	2.8
99.04437	9.2
103.05444	4.9
105.07039	75.4
107.04939	6.7
107.08614	25.2
109.02902	5.2
109.06514	35.7
109.10129	9.9
111.04459	33.8
111.08064	10.3
113.06018	23.6
115.03949	2.5
115.05470	5.6
116.06223	9.7
116.91557	2.5
117.06998	18.5
119.04966	4.0
119.08592	94.4
120.08036	4.6
121.02882	11.8
121.05669	4.2
121.06512	47.8
121.10175	13.4
123.04424	3.2
123.07201	3.1
123.08080	32.4
124.11140	2.8
128.06197	8.8
129.07014	18.1
130.07784	6.4
131.04977	3.1
131.08585	46.7
133.06534	12.8
133.10130	22.4
135.08073	83.1
135.11577	2.6
137.05969	3.9
137.09612	20.3
139.03877	9.7
139.07535	9.5
141.06978	6.8
142.07790	10.2
143.08569	21.9
144.05695	2.7
144.09331	8.3
145.02856	10.9
145.06476	12.5
145.10143	34.1
146.07245	5.3
147.04417	5.5
147.08064	39.7
147.11690	17.7
149.05957	6.0
149.09642	13.0
151.07523	4.7
153.07014	6.1
153.09071	3.5
155.08511	11.3
156.09314	10.9
157.06505	4.4
157.10143	26.8
158.07281	24.2
158.10884	6.0
159.08069	44.4
159.11703	49.4
160.08794	4.1
161.05928	5.0
161.09624	42.3
161.13278	8.3
165.09131	38.9
168.09344	8.9
169.10110	4.5
171.08032	10.3
171.11668	11.9
172.08844	23.1
173.05879	2.6
173.09647	28.6
173.13290	24.1
175.07571	72.8
175.11182	42.9
177.05540	14.4
177.09088	3.9
181.06467	4.3
183.11716	14.0
185.09627	8.7
185.13199	2.8
186.10406	5.9
187.07578	4.4
187.11197	49.7
189.09174	13.7
189.12733	14.0
193.08591	23.1
193.10141	5.1
196.08841	9.4
199.11188	15.1
201.12744	44.7
203.10690	47.8
205.12216	7.2
207.10060	5.4
211.11211	26.3
217.12296	29.1
219.13777	11.9
221.11809	2.9
229.12245	37.3
235.13231	8.9
247.10818	4.9
247.13310	70.6
265.14343	100.0
265.18530	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	265.1224
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
50.65400	0.3
55.05512	0.5
56.96586	0.4
57.75958	0.3
67.05509	0.6
69.03435	0.4
69.07069	0.6
70.49566	0.9
71.04995	0.3
71.74495	0.3
75.04476	0.4
79.05489	0.9
81.07053	1.0
83.04959	0.3
84.08118	0.4
85.02907	0.4
85.06542	0.7
91.05503	0.7
93.07049	1.1
95.04970	0.8
95.08608	1.2
97.02885	0.4
97.06528	0.3
98.97642	0.3
105.07034	1.1
107.08602	1.0
108.03378	0.2
109.06537	0.4
109.10168	0.6
111.04420	0.3
111.08130	0.6
117.06994	0.4
117.78407	0.3
119.08576	0.7
121.06551	0.5
121.10201	0.7
123.11697	0.3
125.05967	0.4
128.06256	0.6
131.08589	0.8
132.37619	0.3
133.10136	0.5
135.08110	0.3
135.11696	0.3
137.09669	0.4
139.07491	0.4
143.08604	0.4
145.06473	0.5
145.10132	0.7
147.04469	0.4
147.08070	0.4
147.11710	0.6
152.10710	0.4
159.07970	0.3
159.11708	0.7
161.09711	0.4
163.07568	0.4
165.07045	1.1
173.05986	0.4
173.09633	0.5
173.13266	0.4
175.11234	0.4
175.95728	0.3
178.07761	2.6
179.08569	10.2
181.06587	0.3
187.11223	0.7
187.14926	0.5
189.06975	3.6
190.07770	4.5
191.08572	14.0
192.09305	1.0
193.06520	1.2
193.10185	1.7
194.07341	0.5
194.10889	0.6
195.08058	0.5
198.74092	0.3
199.62898	0.3
201.12744	0.3
202.07805	3.1
203.08582	7.6
204.09370	1.7
205.06657	2.0
205.08611	0.4
205.10150	4.3
205.12129	0.4
206.07237	1.4
206.10800	0.4
207.08076	12.1
207.09920	0.4
208.08771	0.4
214.07785	0.4
215.08636	1.0
217.06512	3.8
218.07275	7.9
219.08070	15.6
220.08762	1.4
221.06055	7.0
221.09592	8.1
222.06770	1.2
222.10373	2.6
223.13382	0.4
229.12271	1.7
231.07872	1.5
232.08803	0.9
233.09645	7.1
233.11761	0.4
234.10419	38.0
235.07559	46.8
235.11307	1.3
236.08334	7.2
237.09151	1.5
247.16942	0.7
249.09134	6.5
250.09911	52.4
251.06915	0.6
265.12250	100.0
266.12482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.96442	3.2
55.05513	13.2
57.07074	9.5
64.11839	3.0
67.05507	22.9
67.06895	3.1
69.07070	33.6
71.04963	5.5
71.08634	4.0
71.53282	5.3
79.05496	12.5
81.07059	76.9
81.68159	3.4
83.04971	3.7
83.08626	17.2
85.06551	5.9
91.05482	11.3
93.07040	34.4
95.08616	100.0
97.06459	3.1
97.10162	12.4
99.08089	5.6
102.19036	3.4
105.07031	26.5
106.65442	3.3
107.08599	42.3
109.06481	4.1
109.10155	47.9
113.09631	6.8
119.08600	26.7
121.10141	35.1
123.11707	37.1
128.71135	3.7
133.10139	26.7
135.11696	33.7
137.13260	21.4
139.11174	5.4
147.11658	19.2
149.13274	34.0
161.09613	3.8
161.13274	15.0
163.14830	38.2
173.67358	3.1
175.14912	21.1
189.16386	22.6
203.17978	9.3
205.19556	11.4
206.03276	3.5
245.22688	78.2
263.16467	15.1
263.20776	4.6
263.23660	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03949	1.2
55.05517	14.7
55.05763	1.3
57.03432	1.8
57.07079	11.6
65.03944	2.9
67.05511	83.6
69.07076	15.5
71.05004	1.7
71.08633	6.8
71.53250	0.8
72.36884	0.7
79.05502	22.9
79.05972	1.1
81.07064	100.0
83.04992	2.4
83.08627	14.4
83.14823	0.7
85.06541	4.0
85.10195	3.0
91.05490	17.7
91.06025	1.4
93.07056	25.5
95.04988	2.5
95.08617	91.1
97.06530	6.6
97.10183	8.5
99.08098	5.8
105.07037	13.5
107.08601	17.3
109.06549	2.4
109.10168	50.3
111.08076	4.8
111.11727	1.8
113.09680	3.4
117.07027	1.2
119.08589	15.7
121.10152	18.6
123.08081	3.3
123.11723	22.9
127.11212	2.7
128.06233	1.2
131.08578	1.2
133.10141	21.0
135.08093	1.4
135.11700	11.0
137.09627	2.4
137.13272	9.5
139.11115	0.9
141.12798	2.0
142.07791	1.3
143.08632	2.3
145.10123	1.0
147.08025	1.3
147.11699	12.2
149.13277	9.1
151.11189	1.3
151.14824	8.7
155.14323	2.9
157.10176	2.8
159.11771	0.8
161.13260	12.5
163.14842	7.8
165.12857	1.6
165.16428	10.4
175.14861	8.8
177.16435	3.2
179.08679	0.8
179.17943	5.6
181.15936	1.1
189.09135	0.9
189.16339	3.9
191.17891	0.7
193.10136	1.4
193.15900	0.8
203.14201	1.4
203.17990	1.5
207.11790	2.0
217.15952	1.3
217.19522	1.7
219.11681	0.9
219.21161	1.0
220.12558	0.8
221.13310	2.8
233.13266	2.8
234.14006	1.1
245.15471	1.7
245.22681	41.6
248.15585	2.7
263.16296	7.0
263.18164	7.4
263.23724	89.1
279.92596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03942	1.6
55.01855	1.6
55.05511	13.8
57.03421	2.5
57.06834	0.9
57.07079	13.1
65.03934	1.6
67.05507	81.3
69.06731	1.1
69.07072	14.5
70.96407	2.0
71.04991	1.4
71.08631	6.6
71.08989	1.0
76.58829	0.7
78.22214	0.7
79.05496	19.9
81.07058	100.0
83.04967	1.8
83.08622	13.5
83.71490	0.8
85.06555	4.5
85.10203	3.8
91.05480	17.1
93.06487	1.6
93.07048	24.3
95.04980	1.7
95.08609	87.2
97.06534	8.3
97.10165	7.9
99.08085	6.1
102.71719	0.9
105.07033	12.6
107.08591	14.2
109.06499	1.7
109.10159	47.7
111.08069	5.1
111.11733	1.4
113.09649	3.5
119.08585	13.0
121.10142	16.8
123.08075	2.0
123.11707	21.5
125.09624	1.2
125.13250	0.8
127.11197	2.8
133.10143	16.7
135.08105	0.8
135.11707	10.2
137.09604	3.3
137.13231	7.1
139.11200	1.0
141.12743	2.3
147.11691	10.2
149.13249	9.1
151.11188	1.4
151.14842	7.8
155.14328	3.9
161.13258	12.6
163.14848	10.7
165.12721	1.2
165.16393	11.6
167.14372	1.5
175.14833	8.6
177.16385	3.3
179.17955	6.7
181.15871	1.9
189.16348	4.3
200.17667	0.9
203.17909	1.9
217.19470	2.2
245.22664	45.4
263.16412	3.2
263.23712	94.3
268.07220	0.8
277.50330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	1.7
54.63692	0.7
55.01881	1.4
55.05511	14.4
57.03444	1.5
57.07076	13.7
63.51318	0.7
65.03936	2.2
67.05506	89.3
69.07072	16.5
71.05003	1.3
71.08644	6.2
74.97855	0.8
75.88882	0.7
79.05494	23.4
81.07058	100.0
83.04986	2.2
83.08620	13.6
83.09115	0.7
85.06570	4.3
85.10174	3.8
91.05486	18.3
91.06028	1.4
93.07050	25.8
95.04971	1.8
95.08609	86.4
97.06535	9.4
97.10179	6.9
98.20721	1.8
98.21400	3.6
99.08105	5.8
105.07032	11.5
107.08598	15.9
109.06516	1.6
109.10159	45.8
109.81892	0.7
111.08105	5.4
111.11733	0.9
113.09661	2.8
117.07059	0.8
119.08590	12.7
119.09389	1.2
121.10152	18.6
123.08080	2.8
123.11711	21.1
125.09630	1.0
127.11229	1.3
131.08609	0.7
133.10138	16.1
133.11101	1.0
135.11693	12.6
137.09642	3.1
137.13258	9.1
139.11200	0.8
141.12755	2.8
143.08563	0.8
143.17574	0.7
147.11678	9.4
149.13263	8.9
151.11179	1.6
151.14844	8.3
155.14323	2.5
161.13252	14.1
163.14857	8.9
164.78621	0.7
165.16403	11.0
167.14368	1.0
175.14836	8.0
177.16388	3.1
179.14394	0.9
179.17963	5.8
181.15894	1.3
189.16411	3.8
203.18010	1.7
205.19566	0.7
207.17458	1.2
217.19560	1.7
245.22665	40.5
263.23706	90.8
264.32693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03939	1.3
55.01875	6.4
55.05512	38.6
57.03435	1.5
57.07063	1.6
59.04998	1.0
65.03931	1.3
67.05495	3.8
68.98010	0.8
69.03430	3.3
69.07059	3.7
70.77626	2.5
71.04995	2.2
71.45368	0.9
79.05493	11.1
81.07058	32.9
83.04977	3.2
83.08620	100.0
85.06558	1.3
91.05489	12.9
93.07047	16.7
94.04170	4.8
95.04964	10.1
95.08611	8.4
97.06525	8.0
105.07036	7.1
107.04977	3.8
107.08595	35.5
109.06521	72.7
109.10152	2.7
111.08086	13.0
113.09666	3.6
117.07008	2.3
119.04975	4.5
119.06106	2.2
119.08581	6.2
121.06495	1.9
121.10126	5.9
123.04323	0.8
123.08071	7.7
123.11691	1.2
125.09641	12.1
127.07574	2.0
128.06186	0.9
129.07025	2.0
129.09149	0.9
131.08580	3.2
133.10135	7.2
135.08009	2.0
135.11707	1.8
137.05986	20.6
137.09619	1.8
139.11179	17.6
143.08549	4.3
145.10110	4.8
147.08086	2.2
149.09610	3.3
151.11310	0.9
153.09106	10.2
155.06990	1.3
155.10675	0.9
157.10110	2.3
159.11705	8.0
161.09602	4.3
161.13234	1.7
163.11235	2.0
169.10133	1.9
170.10999	1.6
170.72281	1.0
171.10226	1.1
171.11633	1.1
175.14772	1.7
177.12772	2.2
179.14319	2.3
181.12238	14.3
185.13278	2.8
187.11162	7.8
203.14314	9.8
205.12256	13.6
206.10999	0.9
217.15916	0.8
221.13373	1.1
221.15375	17.4
227.14323	1.9
245.15440	5.7
263.16379	20.3
268.91360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03935	2.1
55.01860	1.4
55.05281	0.9
55.05516	13.8
57.03423	2.2
57.07076	12.0
65.03924	3.0
67.05507	87.1
67.31695	0.7
69.03429	1.0
69.07070	16.4
71.04990	2.1
71.08632	6.6
71.51928	1.1
72.50940	0.8
76.15667	0.7
79.05494	21.6
81.07059	100.0
83.04971	3.2
83.08623	15.0
85.06557	4.3
85.10176	3.0
91.05486	17.4
93.06486	1.5
93.07047	23.1
95.04964	1.5
95.08611	85.7
97.06528	7.3
97.10196	6.8
99.08096	6.5
105.07034	14.6
107.08603	13.8
108.75160	0.8
109.06508	1.9
109.10162	45.6
111.08099	4.6
111.11646	1.6
113.09660	4.3
119.08575	14.1
121.10146	16.6
123.08051	2.9
123.11713	21.3
125.09628	1.5
127.11177	1.7
131.08600	2.2
133.10139	16.4
135.11717	9.3
137.09595	2.5
137.13249	7.7
139.11218	1.3
141.12758	2.7
145.10139	1.0
147.11699	8.1
149.13275	9.6
151.11206	1.6
151.14833	9.1
154.95454	0.9
155.14319	2.5
161.09607	1.4
161.13263	9.9
163.14825	9.6
165.12759	0.9
165.16405	10.6
167.14265	1.0
175.11201	1.0
175.14841	7.0
177.16429	1.8
179.17950	5.2
181.15923	1.3
182.51436	0.8
184.00139	0.9
189.16371	4.1
203.17940	1.3
206.11018	0.9
217.19572	1.9
221.13321	0.9
245.15475	1.0
245.20097	1.9
245.22659	39.6
247.11565	1.3
263.14648	8.1
263.16754	3.6
263.23712	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1643
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
52.54749	0.3
53.03945	0.3
55.01865	0.8
55.05506	1.2
57.07076	1.7
59.04996	1.8
63.33171	0.3
67.05496	1.2
69.03428	1.4
69.07059	1.1
69.18644	0.3
70.57127	0.7
71.01336	0.6
71.04996	0.7
79.00601	0.3
79.05495	2.5
80.31063	0.3
81.03417	0.4
81.07058	5.8
83.04980	3.8
85.02938	0.4
85.06528	1.1
91.05486	4.0
93.01765	0.3
93.07049	2.9
95.04970	3.4
95.08602	1.7
97.06551	2.1
99.04477	0.4
103.05406	0.5
105.07036	6.7
107.04942	1.1
107.08592	4.4
108.05740	0.3
109.06522	2.2
109.10150	1.2
111.04440	2.4
115.05460	0.4
117.07008	1.8
119.08589	10.6
121.06519	2.0
121.10121	1.9
123.08091	1.0
125.05985	2.0
128.06213	1.3
129.07004	1.4
131.04991	0.3
131.08542	1.6
132.05736	0.3
133.06490	0.5
133.10138	7.6
134.99179	0.3
135.07170	0.2
135.08051	6.2
137.09612	1.3
143.08578	2.8
145.06465	2.0
145.10117	1.7
146.07251	1.2
147.08055	10.7
147.11693	0.6
149.09602	1.5
151.07516	0.5
155.08569	0.4
156.09393	0.4
157.10176	2.6
159.08095	1.4
159.11697	2.9
160.08778	0.4
161.09624	8.2
161.13280	0.9
162.10432	0.5
163.07565	3.0
163.11174	0.9
164.08366	0.4
165.09152	0.6
169.10170	0.7
170.10858	0.7
171.08017	0.8
171.11722	0.5
173.09752	0.4
173.13237	1.0
175.07594	0.5
175.11229	1.2
175.14821	1.1
177.09097	1.4
179.10634	1.8
184.12405	0.3
185.09586	0.4
185.13278	3.1
187.11162	0.9
188.11967	0.4
189.09119	6.2
189.12775	0.8
190.09848	0.8
194.11076	0.3
199.14806	1.2
201.12766	0.4
202.13368	0.4
203.14319	4.9
207.10188	6.7
212.11935	0.4
217.15891	0.7
227.14307	1.4
245.15393	4.4
263.16428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
55.01875	0.9
55.05504	1.3
57.03440	0.3
57.07077	1.5
59.05003	1.4
67.05505	1.2
69.03436	1.5
69.07074	1.0
70.69479	0.5
71.01350	0.4
71.04985	0.5
77.19463	0.2
79.05497	2.9
81.03405	0.6
81.06599	0.4
81.07056	5.3
83.04979	4.8
83.08610	0.3
85.06523	1.2
91.05478	3.9
93.07041	3.3
95.04960	3.4
95.08589	1.7
97.06535	2.1
99.04447	0.5
105.07027	5.8
107.04940	0.8
107.08585	4.4
109.06530	2.4
109.10165	1.3
111.04443	1.9
115.05441	0.4
117.07027	2.4
119.04927	0.3
119.08580	11.4
121.06510	2.6
121.10130	1.8
123.04441	0.2
123.08061	1.2
125.05988	2.1
128.06215	1.5
129.07005	1.1
131.04839	0.2
131.08572	1.7
132.05711	0.2
133.06482	0.9
133.10124	8.3
135.08052	6.2
135.11659	0.6
137.05981	0.3
137.09589	1.8
141.06950	0.4
142.07776	0.7
143.08557	3.4
144.09372	0.3
145.06482	1.6
145.10150	1.6
146.07246	1.4
147.08043	10.5
147.11664	0.6
149.09630	1.4
151.07558	0.3
151.11238	0.3
156.09331	0.3
157.10129	2.6
159.08052	1.3
159.11687	3.7
160.08844	0.6
161.05988	0.2
161.09616	9.4
161.13206	1.0
162.10312	0.3
163.07538	2.9
163.11186	0.8
164.08377	0.4
165.09113	0.6
169.10155	0.5
170.10924	1.0
171.08052	0.9
171.11636	0.6
172.08858	0.3
172.36801	0.2
173.09579	0.4
173.13281	1.0
175.07573	0.4
175.11179	0.7
175.14845	1.4
177.09096	1.6
179.08478	0.3
179.10696	1.4
183.11565	0.2
184.12544	0.4
185.09583	0.3
185.13271	2.3
187.11188	0.6
189.09100	6.0
189.12718	0.9
190.09792	0.4
199.14819	1.1
201.12712	0.6
203.10683	0.4
203.14297	5.2
205.12416	0.2
207.10164	5.9
209.13304	0.5
212.11876	0.3
215.21873	0.3
217.15840	0.6
221.15442	0.2
227.14326	1.5
245.15347	5.2
263.16415	100.0
264.16776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1392
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
52.15534	0.6
53.03931	0.5
55.05512	1.1
65.57995	0.5
66.01132	0.6
67.05496	1.5
69.03413	1.0
70.06594	33.3
71.04998	0.9
71.51413	0.6
77.03937	0.6
79.05493	2.2
81.07063	2.1
83.04958	0.9
84.08153	2.1
85.02892	1.0
91.05454	3.1
91.69707	0.5
93.07038	2.3
95.04992	1.2
95.08573	0.8
97.02914	0.7
97.06560	1.0
98.06041	1.0
98.97599	0.9
99.04461	0.7
101.02382	0.6
103.05473	5.5
105.07044	2.2
107.08591	2.6
116.07095	77.4
117.07038	0.8
119.08601	0.9
120.08109	100.0
120.99616	1.2
121.10134	0.9
125.09639	1.1
130.06564	0.5
133.06441	0.9
133.10063	0.7
137.02408	0.5
137.05965	0.6
143.08493	0.8
145.10118	0.7
147.08127	0.6
151.07790	0.5
157.07613	1.1
157.10126	0.7
158.06046	1.0
162.04135	0.6
185.05685	0.6
185.07068	3.0
185.13307	0.6
185.60616	0.5
200.10690	0.9
214.04811	0.8
217.09821	1.7
245.12878	2.2
245.15315	0.7
245.22856	0.6
246.07678	1.2
246.11211	0.5
263.06955	0.8
263.09753	1.8
263.13931	21.3
263.16458	1.6
281.06540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20446	13.6
58.14733	16.6
71.50169	15.9
74.06026	13.6
84.04488	16.0
100.80259	14.2
105.78526	14.4
137.07939	18.6
145.61237	12.8
152.26683	13.9
153.62970	14.6
164.21442	13.9
191.06888	16.4
207.69971	14.1
217.03516	19.8
263.05426	100.0
274.06824	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	263.053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98526	4.4
59.62689	4.4
61.67120	4.5
63.77645	4.8
70.44994	10.1
70.45361	8.7
72.08140	5.5
78.95637	9.9
79.08984	4.4
80.35003	4.4
84.04505	5.3
91.66173	4.5
94.52241	5.3
94.93007	10.7
101.00876	25.6
104.23546	4.4
113.00906	11.1
113.79802	4.9
118.08662	100.0
119.01926	23.4
126.93294	4.5
128.97672	4.5
131.01912	10.9
143.01907	56.5
146.09258	20.1
150.08490	4.6
150.93921	4.3
155.01859	9.8
160.98940	4.9
161.02965	74.4
161.04192	6.8
164.91975	5.3
172.92281	7.6
173.02974	23.5
191.04034	18.5
203.02396	6.5
203.03877	24.5
258.39136	5.2
262.11728	4.5
263.01663	11.8
263.05432	27.8
263.07474	23.4
263.12820	9.3
263.17349	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	263.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44525	2.2
59.07386	3.0
69.07043	2.3
69.81145	13.4
78.95644	11.9
79.38019	2.2
87.04494	3.2
94.93014	10.6
98.20821	4.5
101.00911	14.8
105.24776	2.4
108.81544	2.4
113.00880	7.4
118.08669	100.0
119.01927	13.2
130.04912	3.0
131.01888	12.6
143.01918	32.0
146.09242	19.7
150.94073	2.9
155.01932	8.5
161.02971	54.5
164.92049	6.5
172.92319	11.8
173.02977	16.7
183.71991	2.3
185.03056	2.6
188.89671	7.9
191.04013	10.3
203.03993	18.5
204.87044	4.6
262.91309	3.3
263.01944	13.3
263.05627	19.2
263.07288	8.1
263.12549	2.6
263.17493	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	263.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52872	13.8
63.03366	13.6
65.06498	12.5
69.69378	80.6
72.21333	14.7
97.44615	15.8
98.20801	22.3
101.00870	17.2
106.38943	15.3
143.01874	25.3
161.02930	23.7
182.59290	14.5
203.03941	21.5
263.01706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.9781
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61868	1.2
67.01928	1.3
70.66656	3.7
83.01052	1.2
92.59468	1.2
94.93055	1.3
98.21459	1.3
101.00877	5.3
104.99257	5.2
113.00878	2.0
119.01926	6.2
120.96650	1.9
131.01939	2.5
135.88014	1.3
139.04079	1.5
143.01945	8.5
155.01816	1.6
161.02979	10.0
167.13815	1.2
173.02995	3.8
180.89462	100.0
191.04021	1.8
203.03932	2.5
211.02408	1.5
221.01924	1.7
238.95557	2.3
239.95590	2.3
245.01918	2.3
248.46104	1.4
250.96426	2.1
251.46240	4.3
256.96622	4.8
257.96732	9.7
259.97119	2.5
260.46869	3.4
263.02893	13.5
263.06131	7.5
263.12524	2.0
275.97565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38050	0.3
53.03952	0.3
53.40486	0.2
59.09260	0.2
64.79296	0.3
65.03933	0.6
67.05500	2.1
68.05024	0.3
70.06588	0.6
71.51659	0.4
72.08162	0.6
73.06573	0.3
79.05508	0.7
81.03411	0.3
81.07055	0.6
83.42963	0.3
84.04540	0.7
84.08147	0.8
84.38570	0.3
85.02903	0.6
91.05486	0.9
93.05787	1.4
94.06577	9.6
95.04946	0.8
96.01622	0.4
99.04434	0.5
100.04769	0.4
104.68808	0.3
106.06561	3.8
108.08132	2.8
116.05293	0.4
116.07076	0.3
120.08118	0.7
122.06030	9.5
130.05023	0.3
134.06007	1.2
135.06779	0.8
136.06474	0.6
136.07582	10.1
144.10182	0.5
149.04694	0.7
150.05510	83.3
164.07047	2.2
168.06578	2.9
215.98466	1.2
230.02145	100.0
244.96585	0.4
248.03271	1.2
261.98965	0.4
262.04773	12.0
262.10751	0.6
262.14401	0.7
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
51.02378	0.6
53.03938	1.8
55.01871	0.5
55.05514	9.4
57.03442	1.5
57.07077	3.5
57.71815	0.3
65.03941	1.1
67.05506	32.0
69.07068	10.0
69.07348	0.2
69.26125	0.4
69.26452	3.0
71.04996	1.7
71.08632	0.9
75.93884	0.3
77.03926	0.8
79.05495	42.1
81.03372	0.3
81.07059	38.9
83.04999	1.0
83.08624	5.4
85.06532	2.3
85.10190	0.5
91.05481	21.3
93.07046	59.1
95.04984	3.2
95.08611	27.0
95.09261	0.5
97.06538	2.5
97.10181	2.3
99.08094	2.6
105.04525	1.0
105.07037	14.1
107.08596	38.5
109.06551	1.6
109.10158	11.0
111.08089	2.4
111.11697	0.4
113.09657	0.8
117.07024	5.5
119.06028	0.5
119.08585	12.3
121.10148	33.9
123.08070	1.3
123.11707	4.1
125.09650	1.0
127.11166	0.4
128.92130	0.3
129.06961	0.6
130.07841	0.4
131.08566	12.3
133.10135	10.4
135.11696	27.9
137.09633	1.8
137.13200	1.6
139.11194	0.7
143.08531	0.4
145.10127	12.0
147.11688	10.1
149.02350	0.7
149.09612	0.5
149.13264	22.6
151.11165	0.9
151.14830	0.7
153.12715	0.8
157.10168	0.5
159.11690	8.4
161.13266	8.6
163.11159	0.6
163.14828	17.6
165.12750	1.0
167.14175	0.4
173.13269	8.7
175.14810	3.1
177.12807	0.3
177.16380	4.4
179.14313	1.1
187.14822	5.9
189.16235	0.5
191.14275	0.7
201.16376	2.5
203.17963	0.4
205.14125	0.4
205.15900	0.6
215.17995	1.8
217.19531	0.6
219.17430	0.8
233.22603	1.2
243.21089	25.7
261.22141	100.0
262.22574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
54.43005	0.3
55.01881	0.6
55.05515	9.5
57.03445	1.0
57.07077	2.9
65.03934	1.1
67.05509	28.5
68.69752	0.4
69.06731	0.6
69.07073	8.2
71.05000	1.7
71.08621	0.9
74.39748	0.3
77.03931	0.9
78.04707	0.3
79.05498	39.5
81.03415	0.6
81.07063	34.2
83.04993	0.7
83.08625	5.9
85.06558	2.2
91.04911	0.6
91.05489	19.3
93.07051	54.5
95.04978	2.5
95.08611	24.0
97.06560	2.5
97.10164	2.3
99.08109	3.1
105.04528	1.0
105.07039	13.8
107.08602	35.1
109.06512	1.3
109.10168	12.0
111.08075	2.7
113.09644	1.0
117.07014	5.0
119.06108	0.4
119.08590	11.2
121.10152	32.9
123.08082	1.0
123.11714	3.2
125.09647	0.9
129.07033	0.5
130.07742	0.6
131.07584	0.7
131.08580	11.2
133.10143	10.8
135.08093	0.6
135.11703	26.8
137.09613	0.9
137.13271	1.6
139.11179	0.8
143.08621	0.4
145.10133	10.2
147.11702	8.4
149.02339	0.6
149.09657	0.5
149.13274	21.4
151.11183	1.1
151.14857	0.4
153.12704	0.9
157.64357	0.3
159.11717	8.1
161.13272	9.5
163.14832	16.6
165.12785	1.0
173.13272	8.5
175.14819	3.8
177.12819	0.6
177.16403	5.0
179.14259	0.9
187.14825	5.6
189.16386	0.7
191.14351	0.6
201.16403	2.6
205.15872	0.5
215.17953	1.4
219.17477	0.5
233.22635	1.1
243.21101	24.4
261.22153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.01592	0.4
50.79720	0.2
51.02385	0.4
53.03955	1.6
55.01878	0.8
55.05510	9.5
57.03437	1.0
57.07079	2.6
64.33074	0.3
65.03941	1.3
67.05506	27.0
69.07070	7.7
69.30861	0.9
69.31284	1.8
70.61738	0.3
71.04993	1.7
71.08627	1.2
77.03927	0.6
79.05495	37.8
81.03427	0.5
81.07057	33.1
83.04983	0.7
83.08620	5.5
84.88455	0.3
85.06543	2.7
85.10155	0.4
91.05480	17.2
93.07045	50.8
95.04975	2.6
95.08607	25.2
95.09245	0.4
97.06543	1.9
97.10165	2.3
98.21522	0.5
99.08092	3.3
105.04505	0.7
105.07032	13.4
107.08595	33.2
109.06524	1.4
109.10160	11.1
111.08088	2.1
113.09647	1.0
117.07018	5.0
119.06115	0.4
119.08588	11.1
121.10145	31.5
123.08054	0.9
123.11695	3.7
125.09576	0.8
126.86135	0.2
127.11238	0.5
129.07018	0.5
131.08566	10.3
133.10132	9.0
135.08083	0.5
135.11688	24.2
137.09599	0.8
137.13228	1.1
139.11180	0.4
144.21773	0.3
145.10123	11.0
147.11681	9.1
147.12810	0.6
149.02315	0.9
149.09630	0.8
149.13258	21.8
151.11186	0.7
151.14833	0.9
153.12715	0.6
159.11696	7.9
161.13257	9.2
161.14610	0.5
163.11134	0.6
163.14828	17.9
165.12790	0.9
173.13254	8.3
173.92137	0.3
175.14815	3.8
177.12709	0.8
177.16386	4.4
179.14325	1.0
183.27167	0.3
184.48651	0.3
185.13205	0.3
186.74104	0.3
187.14813	4.8
189.16351	1.1
191.14319	0.5
193.15781	0.4
201.16397	2.0
203.17979	0.4
205.15845	0.6
215.18021	1.4
217.19493	0.7
219.17404	0.9
233.22684	0.9
243.21085	26.8
261.22134	100.0
262.22562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03951	1.7
55.01863	0.8
55.05513	9.6
57.03432	1.3
57.07079	2.7
65.03941	2.1
67.05508	30.2
69.07070	8.6
69.30009	0.3
71.05005	1.4
71.08636	0.7
77.03930	0.7
79.05495	42.1
81.07058	36.1
83.04974	0.6
83.08616	5.4
85.06555	2.9
91.05481	18.8
93.07046	54.7
95.04980	2.3
95.08611	26.1
97.06541	2.4
97.10171	2.5
98.21533	0.6
99.08101	3.0
103.05486	0.4
105.04517	1.0
105.06312	0.4
105.07034	13.4
107.08598	35.1
109.06532	1.2
109.10159	12.3
111.08086	2.7
111.11726	0.7
113.09612	0.9
115.05402	0.3
117.07017	4.7
119.06091	0.6
119.07707	0.3
119.08585	11.3
121.10146	32.9
123.08083	1.3
123.11718	3.9
125.09632	1.0
127.98771	0.3
129.07010	0.5
131.08569	10.7
133.10136	11.2
135.11693	26.9
137.09605	1.5
137.13252	0.9
138.89696	0.3
139.11192	0.8
141.12752	0.3
143.08514	0.3
145.10126	12.4
147.11690	9.8
149.02328	0.6
149.09682	0.6
149.13260	22.1
151.11125	0.6
151.14877	0.6
153.12747	0.6
159.11699	9.0
161.13261	9.7
163.11177	0.5
163.14827	19.1
165.12738	1.1
167.14369	0.4
171.11812	0.4
173.11769	0.5
173.13271	8.7
175.14839	3.6
177.12762	0.7
177.16391	5.1
179.14284	1.5
187.14838	5.3
189.16382	0.7
191.14317	0.8
201.16354	2.6
203.17992	0.4
205.15826	0.7
215.18037	1.7
217.19514	0.7
219.17455	0.6
233.22639	1.0
243.18512	0.7
243.21092	27.5
261.22137	100.0
262.22546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1447
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
55.01882	0.5
55.05511	0.8
55.93529	0.5
56.05041	0.5
57.03443	0.8
61.02899	0.5
65.03948	1.2
67.05479	0.7
69.03429	2.7
69.07072	2.4
69.53933	0.8
69.54342	1.6
70.06594	1.3
71.05005	0.6
72.08165	2.4
72.93809	0.5
73.02911	0.5
76.21849	0.4
81.03431	1.5
81.07047	1.0
83.04990	0.7
84.04510	6.9
84.08140	2.8
85.01421	1.0
85.02913	5.2
86.09711	100.0
87.10027	0.7
87.98722	0.4
90.36797	0.4
90.94837	0.9
95.22519	0.5
96.08152	0.6
96.12724	0.4
97.02892	2.1
97.74438	0.4
98.06023	0.8
98.98476	17.0
99.04504	0.9
100.92583	0.4
101.00909	0.6
101.04283	0.5
102.01802	1.1
102.05550	3.2
103.02464	0.9
107.23533	0.4
109.02910	3.2
113.00870	0.9
116.99508	0.6
119.01893	1.1
124.07613	3.7
126.12806	1.3
127.02376	0.5
127.03906	2.4
129.00525	0.7
129.10258	0.7
130.05032	5.5
130.06503	2.6
130.08659	0.9
131.01920	1.7
131.06900	0.7
133.00815	0.5
133.01643	2.4
134.77507	0.5
138.05617	0.5
142.08607	0.8
143.01886	1.5
144.13843	3.0
145.03467	1.2
145.05022	1.2
146.06012	0.7
147.01405	1.0
147.07663	0.5
148.02278	0.6
148.06053	24.0
149.02347	6.3
149.03445	0.9
149.96133	0.5
157.07654	0.9
158.06035	4.0
158.08018	1.5
161.02975	12.5
162.07677	1.0
163.04572	0.7
173.03021	0.6
173.07094	1.1
174.05696	1.6
177.10307	0.5
179.02359	0.8
179.04047	0.9
185.02969	0.7
186.09035	0.5
189.02454	2.1
197.44821	0.4
201.02466	1.4
207.03511	4.0
215.02133	0.6
215.08395	0.5
215.13976	0.9
219.03522	3.1
219.07738	0.4
229.03288	0.8
231.03789	0.5
233.03136	0.4
233.05467	0.4
243.02324	0.7
243.04807	0.5
243.13564	1.2
258.05103	0.5
261.03171	3.1
261.05896	23.0
261.09512	19.4
261.14175	13.0
266.73538	0.4
279.03958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1446
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
56.05032	2.4
56.71189	0.5
65.03942	1.6
69.03451	0.6
69.07070	1.5
70.06599	1.4
70.68893	0.7
70.69244	1.0
72.08139	1.0
74.41392	0.5
81.07061	0.8
83.04999	0.9
84.04510	60.0
84.08163	2.7
84.08584	0.5
85.02916	1.9
85.08504	0.6
86.06072	3.6
86.09710	100.0
90.31215	0.5
91.05485	0.6
93.07076	0.7
98.97623	0.8
98.98465	1.5
102.05551	2.0
110.07221	0.6
114.05542	2.3
120.08137	1.4
123.08001	0.5
129.07184	0.6
130.05014	9.0
130.06502	0.7
132.10213	59.4
142.05023	4.4
149.02364	7.2
149.03506	1.7
152.10745	1.6
158.06041	1.1
162.03079	0.5
169.08609	2.1
170.11777	1.2
173.31604	0.5
177.00690	0.5
192.03806	0.5
198.11264	12.1
207.10081	0.6
238.60144	0.5
243.13507	1.2
244.11801	11.5
261.03842	0.6
261.14520	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	261.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	2.7
59.64581	0.6
65.03941	2.1
69.07068	9.1
70.03416	1.5
72.03680	0.6
72.08160	1.2
81.07043	1.1
84.04509	54.6
84.08155	1.5
85.02915	3.7
86.09710	100.0
91.05473	0.6
95.08589	0.6
98.06067	0.6
98.09723	1.2
98.21426	0.9
102.05546	2.0
105.07098	0.7
115.07540	0.7
116.10745	2.8
120.08114	1.4
121.02898	0.7
121.10119	0.6
122.08437	0.6
123.08064	0.6
125.17752	0.6
128.96404	0.6
129.10242	0.6
129.76877	0.6
130.05014	11.8
130.06535	0.8
132.10213	49.4
136.07541	0.6
145.01703	0.7
149.02367	8.2
149.03488	1.6
149.05995	0.6
152.10715	1.0
163.02692	0.7
170.11818	2.7
197.12805	0.6
198.11275	12.9
243.13544	1.2
244.11806	10.4
261.07455	0.7
261.14581	21.6
273.01758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1447
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
55.05509	2.3
56.05035	8.1
56.96564	2.7
65.03941	3.8
66.35734	1.2
67.05503	2.8
67.32734	1.3
69.03431	2.5
69.07059	3.3
70.06589	2.7
70.85106	2.8
72.08167	9.9
79.05506	2.2
80.53886	1.2
81.03433	2.3
81.07043	2.7
84.04510	100.0
85.02913	10.0
86.09714	96.3
91.05482	1.9
93.07065	1.3
95.04964	2.1
95.08575	2.0
97.02879	2.4
98.06072	1.4
98.20889	1.4
98.98473	5.3
102.05556	15.2
105.03402	1.3
109.02882	2.4
113.07098	1.8
117.07041	2.2
123.08058	1.5
127.03873	2.0
129.06642	4.6
130.06555	1.6
132.10214	50.9
135.04425	1.5
136.91164	1.3
138.05502	4.4
140.11635	1.5
141.06581	2.5
141.72426	1.4
144.06641	1.7
149.02399	21.1
149.03503	5.6
158.06084	1.9
174.04472	1.5
197.12866	55.1
201.05540	1.6
225.12389	6.9
233.07928	1.6
243.13432	71.5
244.06435	1.8
261.04037	2.5
261.07404	3.2
261.12497	1.5
261.14822	6.7
261.18979	2.3
261.22247	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0308
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
52.29224	0.1
54.92074	0.1
56.75860	0.1
69.77576	0.5
72.08164	0.5
81.99350	0.1
82.99810	0.6
84.08161	0.5
86.06041	0.1
88.04013	0.3
98.20836	0.2
98.97591	1.0
101.00890	4.3
102.00951	0.2
116.98672	0.4
119.01935	6.2
120.02007	0.4
120.66628	0.1
122.97780	0.1
129.10228	0.2
131.01929	0.1
132.19589	0.1
134.99883	0.3
137.02937	0.6
140.98802	0.8
143.01953	0.1
149.02325	0.4
149.03386	0.1
157.02051	0.1
158.99895	2.7
160.65308	0.1
161.02962	0.2
164.98857	0.1
165.99767	0.3
173.03024	0.2
173.09224	0.2
175.03030	0.4
177.00961	11.6
178.01132	0.2
182.99838	1.0
187.93524	0.1
194.56718	0.1
199.03058	0.3
201.00943	3.3
217.04083	2.4
219.02020	18.4
220.02193	0.3
221.01920	0.2
225.00861	2.5
227.99615	0.2
234.00635	0.2
236.98785	0.2
237.98788	2.3
238.05823	0.1
238.98262	0.1
242.03525	0.2
243.02011	14.2
244.02020	0.2
244.16545	0.3
261.03073	100.0
261.19058	0.6
262.03223	1.3
263.03561	0.5
266.03577	0.3
275.04562	0.2
279.00708	0.5
284.04666	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	261.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.4
55.01886	1.9
55.05309	0.8
55.05506	3.7
56.43980	0.7
56.96568	1.0
57.03446	0.9
57.07094	1.8
59.05017	2.0
60.04534	1.8
60.05673	1.5
65.03960	3.4
67.05508	9.2
68.99811	3.2
69.03434	49.9
69.07086	0.8
69.94632	3.1
70.06601	3.6
71.01392	0.8
71.04999	1.0
71.08659	0.8
72.08159	0.9
73.06554	3.8
75.04491	4.8
79.05520	3.3
81.03426	1.3
81.07062	4.6
83.01411	0.8
83.04987	30.4
83.05464	1.6
84.08144	5.5
85.02924	1.6
85.06558	2.1
86.09721	2.0
91.05487	7.1
93.03423	2.8
93.07053	6.7
95.04974	11.6
95.08639	2.0
97.02895	24.0
97.06549	2.6
98.06046	1.1
98.21503	1.3
98.97561	1.2
99.04457	11.4
101.02380	1.8
101.06050	0.8
103.03989	0.6
103.05499	1.4
105.07049	5.6
107.04983	1.8
107.08575	4.2
108.05708	1.1
109.06522	10.8
109.10162	12.2
110.03704	0.9
111.04451	30.4
111.05234	1.6
111.08073	1.1
112.08741	0.7
113.02388	2.9
115.07584	1.8
117.07017	0.9
119.03477	0.7
119.04977	1.6
119.08598	2.0
120.08112	2.3
121.02869	8.2
121.06505	9.4
121.10152	8.9
123.04459	0.8
123.08089	2.9
123.11751	0.8
125.06001	30.4
125.09650	1.5
127.03916	1.4
128.04672	1.5
129.05482	8.0
129.06979	1.1
129.10233	1.0
130.06548	8.9
131.04999	0.8
131.08563	7.5
132.04553	0.9
133.06502	2.5
133.10092	0.9
135.04446	1.6
135.08067	3.5
136.07593	1.7
137.06004	2.5
139.03900	13.1
141.05469	0.7
141.07040	0.8
143.07045	30.4
146.06006	0.8
147.07970	0.9
148.07487	0.9
149.02359	11.3
149.03468	2.3
149.09625	34.3
151.07564	2.4
153.05476	10.6
157.04948	1.0
157.07706	1.4
158.06021	11.1
159.08080	3.0
160.03963	6.1
161.05997	1.2
165.09149	3.5
168.07841	3.0
171.06537	100.0
172.03922	1.4
173.07086	2.3
173.09505	0.9
174.05553	1.0
177.09128	32.2
179.07056	1.1
188.44583	1.0
190.04968	7.2
193.08624	1.4
195.10161	7.3
202.04893	0.8
202.08655	1.4
209.11728	29.0
211.09683	1.2
215.10654	1.0
227.12749	12.4
229.10748	2.5
243.07594	0.9
244.10857	0.9
261.03845	1.0
261.08670	2.3
261.13293	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01871	2.6
55.05511	11.7
56.82687	1.2
57.07059	3.8
59.04975	1.3
67.05507	9.2
69.07068	40.4
69.74313	1.2
71.04996	31.9
79.05486	7.6
81.07055	22.4
83.04974	4.3
83.08616	8.3
85.06543	26.0
91.05473	14.3
93.07048	21.0
95.04983	3.4
95.08608	19.0
97.06510	6.7
97.10174	1.4
105.07036	30.5
107.08591	20.7
109.06525	12.7
109.10164	16.2
111.08091	20.8
111.11694	1.2
116.00626	1.3
117.07033	9.4
119.08585	68.6
120.09383	1.3
121.06504	1.3
121.10147	14.4
123.08062	3.9
123.11712	28.9
127.50253	1.3
128.06189	1.9
129.01863	1.8
129.06992	2.8
130.07791	4.5
131.08580	14.8
132.09373	1.6
133.10129	38.3
135.08063	25.8
135.11693	5.1
137.09619	5.0
137.13243	1.6
142.07787	2.2
143.08569	6.2
144.09309	2.3
145.10127	34.7
147.11676	18.1
149.09647	2.5
149.13280	2.9
155.59163	1.2
156.09331	3.4
157.10107	13.9
159.10463	2.5
159.11702	31.9
160.12489	4.1
161.09657	1.6
161.13269	41.1
163.11177	3.1
163.14828	1.6
166.65417	1.4
170.10928	1.6
171.11679	15.1
172.12331	1.2
173.13274	9.2
173.67787	1.5
175.11330	2.9
175.14832	100.0
176.15616	5.5
177.12755	3.6
177.16351	4.0
185.13252	13.7
187.14748	1.4
189.12766	4.7
189.16386	5.1
190.13530	3.4
191.14291	1.9
199.14827	5.5
201.16389	26.0
201.18248	1.5
203.14301	10.5
215.17961	3.9
217.15971	1.5
217.19524	3.9
220.24257	1.4
230.11603	1.4
240.40155	1.2
241.19510	18.9
259.20584	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01860	1.6
55.05511	12.7
57.07072	3.7
58.10833	1.9
61.44864	1.9
64.91467	1.9
67.05516	12.1
69.06734	3.3
69.07076	36.1
70.76793	1.7
70.77098	3.2
71.04999	31.9
72.73349	1.6
78.60705	2.1
79.05505	9.7
81.07066	16.2
83.04975	7.8
83.08619	7.2
85.06547	25.7
89.85138	1.7
91.05499	11.3
93.07052	20.7
95.04968	2.6
95.08617	21.9
96.57764	1.9
97.06524	5.0
99.08066	1.8
102.96967	1.6
105.07039	29.8
106.70562	1.7
106.99044	1.7
107.08602	20.5
109.06528	11.1
109.10160	16.8
111.08089	20.0
115.05412	1.9
117.07042	8.4
117.96658	2.0
119.08595	63.3
120.09333	3.0
121.06536	1.8
121.10146	13.6
123.11715	26.7
129.06996	2.9
130.07788	3.3
131.08571	14.5
133.10139	38.2
135.08073	23.6
135.11714	8.7
137.09602	2.5
142.07751	2.6
143.08543	8.0
144.09331	3.9
145.10135	35.5
147.08130	2.7
147.11699	18.9
149.09622	3.4
156.09351	4.1
157.10144	11.5
159.11717	39.6
160.12468	4.8
161.09555	2.4
161.13275	45.8
163.11053	2.9
171.11687	17.1
173.13287	9.4
175.11223	3.8
175.14845	100.0
176.15649	6.3
177.12825	4.1
177.16348	4.3
185.13300	14.1
189.12717	5.2
189.16447	6.6
199.14828	5.1
201.16383	25.6
203.14296	9.8
215.17995	4.9
217.19589	2.3
241.19550	19.3
259.20593	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1104
Annotation	sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct 
Peak:m/z	Relative Intensity
55.93523	0.9
56.05026	0.3
58.06609	1.0
60.08166	8.5
69.70745	1.2
70.06580	0.3
70.95866	0.3
71.07372	2.4
71.93005	0.3
72.93787	0.8
75.18655	0.3
78.75945	0.3
86.09708	16.4
89.94038	0.4
90.94837	0.4
97.02837	0.2
98.98461	2.7
104.10748	100.0
110.07149	0.4
113.96394	0.3
125.00009	21.4
128.95114	0.6
128.96356	0.7
132.95840	1.1
144.95833	0.9
146.96129	0.2
150.96883	0.9
158.97395	0.8
161.96063	0.2
162.96921	0.5
184.07355	9.0
186.96925	1.1
191.97154	0.5
197.96094	1.3
199.03667	0.4
200.02448	0.2
203.97202	0.2
215.97079	1.2
228.97922	1.3
258.11038	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	258.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93522	1.0
58.06596	1.2
60.07885	0.6
60.08162	7.3
67.04955	0.4
71.07377	2.0
71.50711	0.7
71.93000	0.5
72.93801	0.8
84.04492	0.5
86.09708	17.2
88.45940	0.4
89.53332	0.4
98.06028	0.4
98.98471	2.3
104.10742	100.0
110.07159	0.8
121.37597	0.4
125.00008	21.6
128.95094	1.2
132.95842	1.1
144.95848	0.6
146.96107	0.6
150.96884	0.9
158.97418	0.8
172.33652	0.4
184.07347	10.0
186.96877	1.4
191.97076	0.5
197.96078	0.9
212.08556	0.4
212.13882	0.8
215.97139	0.9
228.97878	1.1
258.11038	21.3
258.14151	1.1
262.54059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81454	1.0
55.43342	1.0
56.70774	0.9
57.07059	2.4
58.06602	100.0
59.10258	0.9
67.05492	4.2
69.07057	0.9
70.06588	1.8
70.06963	3.0
70.07372	2.2
79.05476	1.5
81.07059	21.7
84.08155	6.6
85.06551	1.6
86.09706	1.8
95.08596	3.5
98.21377	1.0
101.02375	1.2
104.10721	2.8
123.11716	25.6
130.06621	1.3
140.14366	3.7
197.08522	1.2
210.06966	1.2
252.97952	1.3
258.17029	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93546	0.4
56.05027	0.4
58.06611	0.7
58.52678	0.4
60.08169	8.0
68.70345	0.3
70.06597	0.3
70.65335	0.9
71.07401	1.9
72.93801	0.7
84.08108	0.3
85.02861	0.3
86.09713	17.2
98.76140	0.3
98.98464	3.0
104.10751	100.0
110.07147	0.7
125.00014	21.8
126.06645	0.5
132.95857	1.1
144.95880	0.8
150.96886	0.4
158.97368	0.4
162.96857	0.7
166.94606	0.3
184.07368	10.2
186.96931	1.1
191.97041	0.4
197.96135	0.7
199.03937	0.4
203.97183	0.4
212.13971	1.1
215.97211	0.8
228.98064	1.5
258.11057	25.6
258.14313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03941	1.0
55.05504	3.4
57.07062	2.5
67.05505	6.2
69.07076	10.0
71.04987	1.9
79.05478	3.3
81.07070	6.0
83.08619	2.4
85.06532	1.8
91.05501	4.6
93.07052	8.3
95.04966	3.7
95.08607	11.1
97.06533	5.7
99.08100	1.8
105.07029	11.3
107.08591	6.7
109.06525	4.2
109.10177	7.6
111.08060	1.7
117.06982	4.4
119.08588	10.9
121.06555	1.2
121.10151	18.5
123.08060	2.7
123.11720	1.9
128.06154	1.1
129.07025	1.4
130.07788	1.3
131.08566	8.9
133.10144	12.2
135.08089	8.1
135.11687	4.3
137.09634	3.0
141.06958	1.9
142.07796	4.8
143.08580	10.2
144.09341	2.6
145.10133	17.1
147.08049	1.0
147.11678	3.3
149.09613	2.8
153.06963	1.4
155.08553	4.1
156.09308	3.1
157.10141	18.8
158.10921	3.1
159.08026	2.6
159.11700	18.8
161.09601	3.3
161.13309	4.6
163.11168	3.3
168.09372	3.7
169.10158	7.3
170.10884	1.2
171.11671	12.0
172.08775	1.1
173.09625	3.4
173.13254	16.2
175.11168	3.4
175.14830	2.2
182.10777	1.0
183.11719	11.3
184.12576	1.0
185.13254	3.3
187.11162	8.3
187.14854	4.2
188.12022	1.1
189.12752	1.6
195.11618	1.9
197.13278	8.4
198.13971	1.2
199.14845	16.0
200.15636	0.9
201.12740	12.3
210.14055	1.2
211.14807	2.2
213.16402	16.1
214.17178	4.2
215.14310	3.8
215.17963	13.5
224.15610	1.8
239.17955	10.7
257.19012	100.0
258.19376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03950	1.8
55.05507	3.9
57.07059	1.4
58.18476	1.1
67.05496	5.6
69.03448	1.1
69.07056	3.9
69.26266	9.7
71.05025	5.3
72.66694	1.0
79.05500	7.2
79.66889	1.0
81.07079	5.9
83.08617	2.0
85.06533	1.8
85.13794	1.0
91.05492	7.7
93.07049	17.6
95.04970	3.2
95.08601	9.1
97.06526	2.4
99.08077	1.3
105.07043	21.2
107.08609	14.8
109.06534	6.7
109.10161	9.4
111.08082	2.3
117.07038	4.2
119.07804	1.9
119.08596	22.3
121.10156	74.6
123.08069	3.5
123.11690	1.2
128.06262	1.4
129.06996	3.2
130.07787	1.4
131.08589	10.4
133.07635	2.4
133.10155	10.3
135.08066	23.8
135.11699	4.2
137.09651	6.7
142.07779	4.6
143.08580	15.3
144.09312	1.6
145.10150	17.2
147.02893	1.0
147.11710	2.9
149.09625	4.5
151.11218	1.7
155.08571	3.6
156.09341	2.7
157.10138	19.7
158.10934	2.9
159.08037	1.3
159.11710	13.2
161.09610	2.0
161.13293	3.2
163.11183	4.0
168.09370	2.3
169.10149	8.1
170.10927	1.3
171.11688	9.5
173.13293	17.5
174.14151	1.5
175.11185	1.7
175.14809	2.3
177.12744	1.4
182.10905	2.2
183.11673	8.5
184.12492	3.1
185.13353	1.7
187.11200	3.6
187.14842	2.5
189.12836	2.2
195.45918	1.2
197.13228	6.6
199.14847	33.9
201.12848	7.1
209.13300	1.6
211.14812	2.0
213.16454	9.1
215.14407	2.8
215.17970	8.6
234.07918	1.2
239.17990	15.4
257.19031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05508	2.7
57.07083	1.6
64.80197	1.0
65.95844	1.0
67.05511	7.6
69.07081	4.9
71.04982	3.3
79.05504	8.0
81.07056	4.9
83.04989	1.4
83.08611	2.2
84.89074	1.0
85.06526	2.9
91.04982	1.2
91.05495	11.9
93.06488	1.5
93.07056	22.3
95.04957	4.5
95.08607	10.8
97.06517	1.1
98.19719	0.9
98.20657	2.3
103.05459	1.8
105.07037	24.6
105.07705	2.1
106.07842	1.5
107.08604	20.8
109.06541	7.4
109.10162	12.3
111.08109	4.7
115.05481	1.6
117.07051	5.9
119.07803	1.9
119.08594	21.6
121.06542	1.5
121.10155	85.1
123.08076	3.8
123.11706	3.3
128.06212	2.1
129.07019	3.8
130.07802	1.3
131.08571	11.5
133.07620	1.8
133.10126	9.8
135.08066	34.7
135.11671	2.8
137.09627	6.9
142.07748	5.4
143.08566	18.1
144.09331	1.5
145.10132	17.2
147.11685	3.2
149.09630	4.1
151.11140	1.8
153.06969	1.1
155.08577	3.4
156.09329	3.1
157.10135	17.3
158.10928	2.0
159.11708	11.3
161.09695	1.7
161.13257	2.3
163.11194	4.7
169.10103	8.1
169.18085	1.0
170.10898	2.2
171.11711	8.6
173.09657	1.5
173.13269	17.1
175.11179	1.2
175.14920	1.1
177.12776	2.8
180.22063	0.9
182.10944	1.4
183.11711	7.6
184.12489	2.7
187.11143	4.3
187.14891	3.3
189.12701	1.5
197.13234	6.9
199.14842	42.4
201.12749	6.1
213.16379	11.3
214.17220	2.3
215.14487	2.2
215.17938	5.8
229.15601	1.7
239.17967	13.4
257.19028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06393	0.8
53.70893	0.7
55.05504	2.3
67.05486	3.6
69.07075	9.5
69.48573	2.7
69.48995	3.8
71.04977	2.1
79.05483	2.4
81.07050	3.9
83.08603	1.1
85.06504	1.0
87.39124	0.8
91.05470	4.4
93.07047	9.0
95.04988	1.1
95.08610	10.5
97.06557	7.4
99.08102	1.3
105.07048	8.6
107.08607	8.4
109.06500	2.3
109.10162	7.6
117.07031	3.0
119.08591	11.4
121.10150	20.1
123.08080	1.9
123.11744	2.4
128.06189	0.9
128.35042	0.8
129.07002	2.7
130.07814	1.0
131.08606	7.3
133.10143	9.6
135.08055	7.4
135.11673	4.2
137.09615	3.1
141.07042	1.0
142.07764	3.3
143.08554	8.8
144.09322	1.5
145.10138	15.6
147.08078	1.6
147.11667	3.0
149.09604	2.9
155.08591	2.4
156.09315	2.6
157.10129	17.6
158.10898	2.5
159.11702	17.2
161.09624	2.8
161.13214	5.7
163.11172	2.5
168.09346	1.2
169.10107	5.3
170.10876	1.6
171.11732	9.5
173.09610	2.6
173.13271	14.6
175.11183	2.9
182.10941	1.7
183.11688	9.1
184.12489	1.5
185.13213	2.9
187.11229	5.6
187.14861	4.0
189.12816	1.5
195.11667	0.9
197.13304	5.2
199.14827	14.7
201.12794	9.7
209.13319	1.5
210.13959	1.1
211.14757	1.7
213.16399	13.2
214.17143	2.6
215.14471	1.9
215.17975	16.8
224.15546	1.8
239.17958	11.6
242.16696	1.0
247.87602	0.9
257.19022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
50.13939	0.9
53.03934	1.2
55.05497	3.4
56.79661	0.9
57.07074	1.4
60.25720	1.0
61.91502	0.9
67.05486	3.5
67.62490	0.9
68.75172	1.0
69.07074	12.0
71.04993	2.0
71.38890	0.9
79.05477	2.6
79.47753	0.8
80.59931	0.9
81.07048	4.3
83.08632	1.8
85.06537	1.9
90.51161	1.2
91.05486	3.8
91.52113	1.0
93.07049	8.8
95.04958	1.2
95.08618	11.2
97.06549	5.9
98.20736	2.2
98.21452	3.8
99.08071	2.6
105.07047	9.8
107.08606	7.9
109.06506	2.6
109.10161	7.3
111.08058	1.1
117.07008	1.9
119.08594	11.3
121.10159	21.4
123.08070	2.6
123.11669	1.8
128.06262	2.4
129.07024	2.6
130.07755	1.3
131.08566	8.0
133.10155	10.4
135.08075	7.6
135.11768	5.1
137.09627	2.7
141.07065	1.3
142.07782	4.3
143.08556	8.9
144.09341	2.2
145.10132	18.7
146.10948	1.3
147.11699	3.4
149.09599	1.7
155.08578	1.6
156.09370	2.1
157.10161	17.7
158.10947	2.2
159.08093	1.3
159.11716	19.4
161.09653	2.7
161.13297	6.5
163.11224	2.4
168.09343	1.8
169.10147	5.9
171.11714	11.9
173.09651	2.8
173.13272	18.5
175.11220	3.7
177.12726	0.9
182.10944	1.6
183.11673	8.2
184.12440	2.7
185.13249	5.1
187.11192	6.7
187.14824	3.9
189.12753	1.1
195.11754	1.5
196.12529	1.1
197.13281	6.1
198.14117	1.3
199.14821	17.4
201.12798	10.3
209.13269	1.4
211.14926	2.1
213.16389	13.3
214.17140	5.2
215.14336	2.6
215.17984	17.2
224.15665	1.1
227.14412	1.1
239.17981	11.2
257.19028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.9
67.05490	4.7
69.07059	4.0
69.25362	11.7
69.76876	1.3
71.04993	2.2
74.61435	1.4
79.05485	10.6
81.07050	5.9
83.08640	1.9
85.06544	2.4
91.05470	10.5
93.07048	25.1
95.04958	4.6
95.08614	12.6
99.08083	1.6
102.84703	1.2
103.05494	1.5
105.07039	28.5
107.08604	20.2
109.06535	7.2
109.10150	11.2
111.08063	4.6
115.88425	1.4
117.06990	6.5
119.08588	22.3
121.06530	2.1
121.10149	93.7
123.08070	3.4
123.11655	1.6
128.06259	3.0
129.07007	4.0
131.08594	10.2
133.07539	2.1
133.10129	12.1
135.08063	32.2
135.11646	3.0
137.09645	8.7
142.07771	4.6
143.08563	18.8
144.09343	1.4
145.10132	14.2
147.11646	2.5
149.09633	6.2
151.11214	1.3
155.08574	4.6
156.09375	3.3
157.10147	18.4
157.59842	1.2
158.10960	1.7
159.11699	11.7
161.09669	3.5
161.13272	2.7
163.11206	2.9
168.09361	1.8
169.10110	9.3
170.10887	1.9
171.11739	8.2
173.09528	1.6
173.13271	14.6
175.11349	1.7
177.12775	2.3
182.10800	1.7
183.11687	8.5
184.12433	3.1
185.13213	1.8
187.11220	2.2
187.14787	3.6
189.12714	2.5
197.13208	6.5
199.14838	44.7
201.12764	8.0
208.29703	1.3
213.16409	12.9
214.17010	1.8
215.14328	2.2
215.17984	5.5
232.98053	1.4
239.17923	12.9
257.19012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01861	1.3
55.05504	2.4
67.05507	6.1
69.03426	2.6
69.07063	3.9
71.04980	3.0
71.75714	1.1
79.05494	8.1
81.07063	6.5
82.93932	1.2
83.08639	2.0
85.06561	2.5
91.05475	12.0
93.07045	22.9
95.04967	3.8
95.08606	11.1
103.05487	1.6
105.06395	2.1
105.07040	25.0
107.08598	21.8
107.68430	1.2
109.06552	6.3
109.10170	10.0
111.08102	4.2
115.05441	1.4
117.07011	5.2
119.07814	2.1
119.08590	26.0
121.10149	100.0
123.08068	3.5
123.11688	1.6
129.07016	3.0
131.08554	8.8
133.07625	2.2
133.10144	7.0
135.08069	33.6
135.11723	1.6
137.09636	7.5
142.07857	2.8
143.08569	17.2
145.10146	14.7
147.11699	4.2
149.09608	3.8
151.11188	1.6
155.08536	4.8
156.09340	2.9
157.10147	19.5
158.10928	2.5
159.08142	1.3
159.11703	10.7
161.09572	1.9
163.11189	4.4
169.10184	7.1
170.10966	1.7
171.11719	7.5
173.13278	16.4
175.14876	1.5
177.12820	2.8
183.11656	6.2
184.12605	2.2
187.11215	3.1
187.14833	3.6
189.12842	1.7
196.12315	1.3
197.13208	6.0
199.14841	37.8
201.12767	5.6
211.14752	1.2
213.16354	12.0
214.17114	2.0
215.14325	2.2
215.17990	4.8
229.19557	1.6
239.17981	10.2
245.45183	1.3
257.19028	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60213	0.6
53.03950	1.4
55.01866	0.9
55.05512	3.3
57.07080	1.8
62.00959	0.5
63.49331	0.7
65.03957	0.6
67.05513	7.3
69.03425	1.1
69.07067	4.2
69.22762	2.6
69.23193	3.1
70.07960	0.7
71.04985	2.2
79.05490	10.4
81.07064	6.5
83.04987	0.9
83.08622	1.4
84.23763	0.7
85.06551	1.6
91.05477	10.4
93.07047	24.1
95.04985	5.4
95.08606	9.5
97.06536	1.8
99.08106	1.0
103.05472	1.9
105.07034	26.6
106.07828	1.5
107.08599	18.8
109.06516	5.8
109.10159	10.4
111.08064	3.7
115.05473	1.9
117.07028	6.4
119.06056	1.2
119.08587	24.2
121.10149	100.0
123.08054	3.3
123.11707	2.7
128.06223	2.6
129.07005	3.7
130.07822	0.7
131.08574	9.2
133.07613	1.7
133.10141	8.8
135.08057	31.1
135.11723	3.6
137.09630	7.7
141.07004	1.4
142.07796	4.8
143.08574	15.5
144.09338	2.4
145.10127	12.1
147.08064	1.0
147.11671	3.2
149.09621	4.9
149.13242	0.9
151.11220	2.0
154.07808	0.8
155.08597	2.8
156.09323	1.8
157.10129	17.6
158.10921	1.6
159.08194	0.9
159.11694	9.4
161.09634	1.6
161.13274	2.3
163.11159	4.0
167.08592	1.0
168.09370	1.0
169.10112	8.4
170.10921	1.2
171.11676	7.5
173.09572	1.6
173.13258	14.7
175.11160	1.3
175.14738	0.9
177.12746	1.7
181.10121	0.8
183.11687	5.9
184.12535	1.9
185.13338	0.9
187.11194	2.7
187.14842	2.1
189.12720	1.4
195.11613	0.9
197.13274	5.5
199.14828	35.9
201.12813	4.4
202.02980	0.7
211.14772	1.1
213.16414	10.1
214.17189	2.3
215.14359	1.2
215.17952	5.9
224.15622	1.5
239.17967	12.4
257.19019	88.6
257.26657	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
50.14474	0.5
53.03954	0.5
55.01855	0.5
55.05510	4.3
57.07069	1.9
59.04990	0.7
61.80080	0.4
65.03938	0.4
67.05511	5.6
69.03416	1.1
69.07066	6.0
70.06592	0.6
70.83193	0.5
70.83506	0.8
71.05000	4.5
71.08636	0.5
74.52937	0.5
79.05066	0.6
79.05491	4.6
81.07060	4.8
82.38133	0.4
83.04966	1.7
83.08612	2.2
85.06546	4.4
88.07619	0.4
91.05481	5.8
91.23561	0.5
93.06482	0.8
93.07047	11.0
95.04987	3.4
95.08060	0.7
95.08612	9.1
97.06525	1.6
98.72111	0.4
99.08083	1.3
103.05475	0.7
105.07034	13.8
107.05012	0.5
107.08603	11.2
109.06510	5.7
109.10163	7.8
111.08087	2.2
112.67800	0.4
115.05418	1.1
116.12393	0.5
117.07026	3.0
119.08588	15.7
121.06493	1.2
121.10143	33.7
123.08086	3.1
123.11690	2.1
128.06183	1.7
129.07028	2.8
130.07770	1.5
131.08568	10.2
133.07573	1.0
133.10146	9.7
135.08058	12.0
135.11670	3.1
137.09602	5.2
141.06979	1.7
142.07771	5.0
143.08568	13.3
144.09351	1.9
145.10133	16.6
147.08090	1.1
147.11726	2.6
149.09610	2.8
151.11186	1.2
154.07802	0.9
155.08549	4.0
156.09369	4.2
157.10130	21.1
158.10918	3.9
159.08073	1.4
159.11699	20.0
159.13039	0.8
160.12425	0.7
161.09618	2.4
161.13255	1.4
163.11183	3.9
167.08565	1.3
168.09273	2.1
169.10120	7.5
170.10950	2.1
171.11691	12.5
172.08832	0.9
172.12500	1.6
173.09663	2.5
173.13274	26.2
174.10428	0.4
174.14034	4.0
175.11206	2.4
175.14870	2.8
177.12743	1.9
179.08588	0.5
181.10101	0.8
182.10953	1.7
183.11700	9.6
184.12494	2.6
185.13272	3.1
187.11215	5.9
187.14806	4.8
188.11932	0.7
189.12700	2.8
195.11726	1.2
196.12442	1.2
197.13272	9.5
198.14070	0.7
199.14832	26.0
201.12769	7.0
209.13222	1.8
210.14075	0.7
211.14838	1.1
213.16405	9.6
214.13634	0.6
214.17145	2.1
215.14461	2.4
215.17950	8.3
224.15604	1.7
229.15883	0.7
229.19562	0.7
239.15459	0.5
239.17947	13.8
257.19019	100.0
257.26520	5.7
258.27878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06208	0.5
51.20585	0.4
53.03939	0.8
54.18192	0.4
55.05505	1.8
57.07074	0.8
58.88503	0.4
59.05011	0.4
67.05507	3.8
69.07059	1.7
71.04992	1.4
71.08647	0.7
71.52375	0.5
77.03925	0.5
79.05495	5.3
81.07047	2.9
83.04958	0.5
83.08608	1.2
85.06528	0.8
91.05481	6.1
93.07045	11.7
95.04975	3.4
95.08594	5.2
97.06498	0.8
103.05480	1.2
105.07034	20.4
106.07794	0.9
107.08602	7.5
109.06542	4.3
109.10153	7.6
111.08115	1.3
115.05415	0.7
117.07029	2.6
119.06048	0.5
119.08589	10.4
121.10145	100.0
123.08074	4.0
123.11711	1.4
128.06218	0.5
129.07005	1.0
130.07838	0.6
131.08553	5.2
133.07623	2.2
133.10124	6.3
133.97301	0.5
135.08057	7.5
135.11722	2.6
137.09608	5.7
142.07805	1.7
143.08577	3.9
144.09354	0.6
145.10130	6.5
147.07994	0.6
147.11693	1.9
149.09624	4.4
149.13220	0.9
151.11133	0.7
155.08588	1.1
156.09325	1.2
157.10135	6.7
158.10880	0.7
159.08028	0.7
159.11691	5.1
161.09622	1.2
161.13280	0.9
163.11182	2.5
165.12849	0.7
168.09265	1.1
169.10109	2.2
170.10936	0.5
171.10374	0.7
171.11659	3.6
172.12393	0.5
173.09610	1.2
173.13274	4.9
175.11140	1.2
177.12784	1.3
182.10884	0.6
183.11705	3.5
184.12477	0.5
185.13254	0.8
187.11169	2.0
187.14801	0.8
189.12804	0.6
196.12402	0.5
197.13211	2.3
199.14839	8.5
201.12701	2.9
201.20482	1.8
211.14871	0.6
213.16405	2.2
215.14352	0.8
215.17931	1.3
221.35165	0.6
239.17921	5.1
257.19003	71.3
257.26483	3.2
258.19266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.4
51.94682	0.4
53.03949	0.5
55.01861	2.0
55.05517	0.9
57.03444	5.5
57.07069	0.6
61.02929	1.0
67.05490	1.1
69.03422	1.0
69.07056	1.3
70.06601	1.3
70.80173	1.1
71.05000	0.5
72.08154	0.5
73.02921	0.5
75.04488	3.6
79.05503	4.7
81.07074	2.3
83.04977	1.4
84.04533	0.5
84.08137	1.0
85.02882	0.6
85.06527	0.6
86.09703	1.9
91.05476	2.3
93.07036	1.8
94.04202	0.6
95.04949	1.7
95.08612	1.6
97.02895	0.7
97.06493	0.9
98.97590	1.3
102.09212	0.5
103.05472	1.7
105.07035	33.3
107.04949	2.5
107.08595	0.8
109.02893	0.9
109.06522	1.9
109.10174	0.9
111.04459	0.9
111.08101	0.7
113.06004	0.5
113.08731	0.5
115.05454	0.9
117.07011	1.0
119.08585	1.5
120.08152	0.6
121.06527	1.3
121.10142	1.8
122.03643	2.6
123.08106	0.8
123.11725	0.6
123.15821	0.5
124.05242	0.8
125.09529	0.7
127.03951	2.5
131.04932	0.8
131.08586	1.2
132.05678	0.6
133.06499	49.5
133.10138	1.1
135.04460	1.1
135.08054	1.3
137.05984	100.0
137.09561	1.1
139.11174	1.9
145.06505	0.5
147.08101	1.0
147.11681	0.5
148.08752	0.4
149.09605	0.8
150.06725	0.5
151.07562	1.1
151.11151	0.6
155.07065	0.8
157.10132	0.5
161.09554	1.3
163.07555	4.4
165.09119	26.9
167.08714	0.5
167.10672	1.8
168.04724	1.2
168.16965	0.5
170.06183	0.8
175.07587	3.0
175.11226	1.1
177.09116	0.8
179.06970	0.5
181.08632	2.9
182.99945	0.4
183.10187	7.4
186.09071	0.7
193.08647	0.8
193.12378	0.5
197.09663	0.5
201.00768	0.7
203.10669	2.5
209.11821	1.1
214.07394	0.7
217.18964	0.5
219.51591	0.5
221.11775	3.7
239.12749	2.7
255.71611	0.5
257.04727	0.9
257.09167	2.6
257.14059	2.4
257.19067	0.8
257.26758	1.0
262.38980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01918	0.5
55.01869	0.8
55.05524	4.6
56.96579	0.5
57.03430	1.6
57.07082	1.2
59.05002	2.0
61.02921	1.2
63.48149	0.5
64.68425	0.5
65.03934	1.0
66.68198	0.5
67.05511	34.3
69.03435	1.8
69.07072	4.9
70.06602	0.7
71.01345	1.1
71.04999	6.3
71.13293	1.1
72.08159	0.7
74.88531	0.5
76.66204	0.5
79.05498	1.9
81.03415	1.0
81.07063	8.9
83.04979	2.4
83.08629	3.0
84.08150	0.8
85.02914	3.9
85.06537	1.5
85.10188	1.2
86.09712	1.1
91.05480	2.1
93.07054	4.5
95.04980	1.5
95.08618	52.0
96.89404	0.5
97.06539	10.6
98.97593	0.7
99.04462	2.2
99.08103	1.5
101.06026	0.9
103.03953	96.5
105.07081	1.2
107.08591	2.3
109.06516	1.0
109.10168	98.2
111.04464	0.9
111.08102	2.5
113.06051	1.3
113.09657	10.5
119.08588	2.5
121.09314	0.5
121.10160	2.0
122.07313	0.7
123.08093	1.2
125.09637	1.3
127.03952	1.2
127.11170	2.4
131.08574	0.5
133.10146	0.9
135.11691	0.5
137.09633	35.8
139.07619	0.5
139.11197	0.6
147.08081	0.6
153.05479	0.8
155.10686	100.0
156.11450	1.2
159.18436	0.6
173.08031	0.5
179.10718	0.6
183.06485	0.5
183.10147	0.9
201.11119	1.0
211.09789	0.5
211.13182	0.9
217.95712	0.5
221.11853	0.5
239.12825	1.7
250.34373	0.6
252.81169	0.6
257.05740	1.2
257.08060	0.7
257.13846	18.0
257.19153	0.9
259.04889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1284
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03955	0.7
55.01862	0.9
55.05498	1.2
56.96575	0.4
57.07073	1.7
65.03953	3.3
67.05167	0.4
67.05511	2.8
67.81259	0.4
69.07054	2.0
69.63728	1.0
69.64132	2.3
70.06593	0.5
71.04992	0.8
74.09715	0.9
79.05482	1.8
81.07072	2.4
82.02930	0.9
82.06586	0.5
83.04969	1.2
83.08569	0.8
85.02901	0.8
85.06521	0.6
91.05476	1.5
92.05004	4.5
93.07053	1.7
94.06574	1.5
95.04949	1.4
95.08596	1.8
95.18615	0.4
97.06525	2.5
98.97607	0.6
99.08078	0.8
105.07050	2.4
106.06570	0.8
107.08578	1.1
108.08100	0.8
109.06517	1.0
109.10142	1.4
110.06092	0.8
113.05991	1.3
117.07014	1.3
118.06519	0.5
119.08570	1.5
120.04469	2.8
121.06468	0.7
121.10146	1.3
122.06044	2.3
123.04427	1.0
123.08080	0.9
123.86662	0.4
125.05998	0.8
125.09547	0.5
127.11250	0.7
128.06293	1.0
129.07019	0.9
130.06494	0.6
131.07332	0.5
131.08562	1.4
132.08086	1.1
133.10141	0.7
135.50894	0.5
136.07571	1.3
137.09615	0.7
142.06650	0.6
142.07773	1.1
143.08578	1.3
144.08052	1.3
145.07645	0.5
145.08977	0.8
145.10115	2.0
146.09674	0.5
149.06015	0.8
154.06482	1.9
154.07661	0.8
155.07330	1.2
155.10683	0.8
156.08078	1.0
156.13853	3.2
157.08893	0.8
157.10139	1.1
158.06003	0.7
158.08463	0.7
158.09660	1.0
159.09195	0.8
159.10429	0.5
160.07597	2.0
160.11247	0.6
164.07021	1.0
165.06973	0.8
165.09138	0.7
167.08566	0.8
168.06860	0.6
168.08095	2.5
169.08870	4.3
169.10103	1.1
170.06068	1.1
170.09644	1.2
171.09129	1.6
171.10431	1.0
172.07648	1.6
172.09920	2.5
173.10797	1.1
174.09177	0.8
182.06030	1.1
183.06793	1.8
183.09171	1.6
184.07533	3.3
184.11221	6.2
184.13213	3.9
185.07121	2.1
185.10750	3.8
186.09163	0.7
186.11504	6.2
186.12868	0.6
187.08632	2.5
187.11223	0.6
188.10756	0.8
189.10251	0.9
191.82428	0.5
193.15880	2.9
194.09735	0.7
196.07619	1.2
196.10010	1.6
197.08374	7.3
198.09190	0.8
199.08540	6.0
199.10188	0.4
200.09421	12.1
200.13040	0.8
201.10283	3.8
201.13892	9.8
202.12276	0.7
211.02777	1.1
211.08688	2.4
211.12347	1.1
212.10719	12.2
213.06598	8.5
213.10179	9.0
214.07387	1.3
214.10851	8.1
221.15343	3.5
224.09496	2.0
225.07735	0.6
225.10547	0.5
227.08174	7.4
227.11681	0.7
228.06590	0.8
228.08896	24.1
229.09805	19.7
229.13347	38.8
230.11803	1.1
239.11899	3.3
239.16391	1.5
240.10159	4.5
241.09720	16.8
242.10512	31.5
254.51973	0.5
257.12863	100.0
257.22012	1.1
258.11121	2.2
258.13556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
52.22503	0.4
53.03944	0.9
65.03944	3.6
67.05502	1.2
70.95971	0.8
72.76763	0.4
75.02445	0.3
81.07057	0.5
82.02926	1.1
91.05483	0.6
92.05013	4.3
93.05779	0.6
93.07021	0.5
94.06564	1.7
108.08084	0.7
108.73572	0.5
110.06012	0.6
118.06489	0.6
120.04487	2.9
122.06042	1.7
124.07567	0.7
129.06990	1.0
130.06529	0.9
131.07259	0.7
131.08461	0.5
132.08061	0.8
136.07599	0.7
142.06599	0.4
142.07823	0.7
143.08531	0.7
144.08084	0.9
145.08871	0.9
145.10068	0.7
146.06041	0.5
146.09686	0.5
150.09113	0.5
154.06490	1.5
154.07732	0.8
155.06125	0.5
155.07303	1.2
156.08093	1.2
157.08893	0.7
157.10123	0.7
158.05989	0.8
158.08458	0.5
158.09671	1.2
159.09192	0.9
160.07574	1.8
166.06514	1.0
167.08542	0.6
168.06847	0.7
168.08109	2.3
169.08878	4.5
170.05992	1.0
170.09689	1.0
171.09184	1.6
171.10396	1.0
172.07590	1.3
172.09941	2.2
173.10779	1.1
174.09201	0.8
174.11481	0.7
176.10747	0.4
182.06029	1.2
183.06807	1.7
183.09163	2.2
184.07695	3.0
184.11212	6.8
185.07054	2.2
185.10727	3.0
186.09227	0.6
186.09793	0.5
186.11525	7.0
186.12968	0.9
187.08679	1.8
188.10727	0.9
189.10257	0.4
189.97444	0.4
194.09703	0.6
196.07607	1.6
196.09993	1.2
197.06773	0.6
197.08394	7.3
198.07790	1.0
199.08594	6.2
200.09444	15.7
201.10217	3.2
201.13878	9.4
202.12285	0.7
209.07074	0.7
211.08684	2.9
211.12236	1.2
212.10741	11.5
212.12762	0.5
213.06606	7.4
213.10179	9.3
214.07362	1.8
214.10829	7.2
224.09380	1.9
225.07858	0.9
227.08174	8.8
227.11749	0.6
228.06577	0.7
228.08882	23.2
229.09816	20.4
229.13347	37.0
239.11815	3.1
240.10255	5.0
241.09711	16.8
242.10509	32.9
255.11295	0.4
257.12860	100.0
258.13281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1746
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03940	1.1
55.01871	1.5
55.05518	6.4
57.03428	2.7
57.07088	3.4
58.04620	0.8
59.04998	2.6
61.45861	0.6
65.03938	2.2
67.05513	8.0
69.03429	2.1
69.07075	5.6
69.45086	3.6
71.04989	1.5
79.05499	9.4
81.07056	9.4
83.04984	3.0
83.08641	3.7
85.06544	2.9
86.02554	0.6
86.73432	0.7
91.05496	8.6
92.04987	0.8
93.07045	15.9
95.04969	3.5
95.08601	5.1
97.06532	5.2
97.10174	1.6
98.98476	9.0
99.08107	1.1
100.07646	0.6
100.11253	2.2
105.07042	10.4
107.04948	0.7
107.08601	10.3
109.06521	7.8
109.10155	4.4
111.04432	1.3
111.08093	3.7
113.06044	0.7
113.88181	0.7
117.07014	3.9
119.08592	14.7
121.06514	1.2
121.10155	7.9
122.76927	0.6
123.08092	2.5
125.09640	1.6
127.03922	0.7
128.06236	2.9
129.07024	4.3
130.07755	1.0
131.08591	6.5
133.06496	1.5
133.10138	14.7
135.08069	9.6
135.11699	6.3
137.05991	0.8
137.09659	0.9
139.07538	1.3
139.11172	0.8
141.06992	3.5
142.07773	6.5
143.08569	12.0
144.09364	1.2
145.10118	5.8
145.89922	0.6
147.08055	1.5
147.11716	0.7
149.02312	0.9
149.09651	4.9
149.13260	1.1
153.07024	2.5
154.06664	0.7
154.07796	2.8
155.08571	9.5
156.09348	9.5
156.13821	1.2
157.10136	22.8
158.10928	0.9
159.07990	1.6
159.11707	4.6
161.09557	3.1
163.11140	1.6
165.07040	2.2
166.07855	1.4
167.07118	5.6
167.08597	6.0
167.10631	0.8
168.09407	2.2
169.01430	0.9
169.10143	18.9
170.10909	4.5
171.08051	1.3
171.11693	17.2
172.08887	3.4
173.09689	3.5
173.13281	2.2
175.11220	1.2
179.08589	1.2
180.09402	2.7
181.08688	1.3
181.10194	5.9
181.12178	1.3
182.09549	0.5
182.10930	9.3
182.15393	1.1
183.09306	1.3
183.11688	7.0
184.08856	1.5
184.13509	0.8
185.09605	3.8
185.13268	7.1
187.11183	27.4
191.14336	1.2
192.09338	1.0
193.05032	1.7
193.10156	4.1
194.10982	1.4
195.10060	0.5
195.11725	11.2
195.13455	1.2
196.12387	4.3
197.07106	1.6
197.09682	1.9
197.13266	38.5
198.10497	0.8
198.14096	1.1
199.09180	1.1
199.11139	23.4
201.12744	1.3
205.12355	1.4
207.11671	5.2
208.12474	1.3
209.11099	0.7
209.13222	2.0
210.09200	1.2
211.08723	2.8
211.11385	1.1
211.14838	19.3
212.09280	3.5
212.15620	9.9
213.12988	6.1
213.16394	27.6
213.92120	0.7
219.13867	2.5
222.04419	1.5
222.14087	4.9
225.06728	2.1
225.12842	2.1
227.08226	2.5
227.11842	6.8
227.17975	1.9
233.55350	1.2
237.16483	13.3
237.18636	0.9
239.08247	2.0
240.08905	6.2
240.15199	2.4
255.11507	16.5
255.17513	100.0
257.44263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1746
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
50.48290	1.2
52.96972	1.1
53.03941	1.7
55.05513	6.7
57.03429	5.7
57.07072	4.2
59.05012	1.9
66.58730	1.3
67.05509	14.8
67.66116	1.3
69.03442	1.5
69.07083	8.3
70.06619	1.4
70.84499	2.4
70.84820	1.9
71.04986	2.5
71.08613	1.6
79.05501	12.7
81.03437	1.6
81.07068	12.0
83.04990	4.0
83.08626	4.1
84.19255	1.1
85.06538	3.3
86.09727	1.3
91.05463	6.7
93.07056	18.5
95.05006	2.6
95.08611	6.7
97.06548	7.5
97.10188	2.3
98.98475	17.7
99.04472	1.7
100.98871	2.3
105.07040	8.0
107.08604	13.4
109.06532	5.0
109.10190	5.5
111.04491	1.9
111.08105	5.1
113.39573	1.5
117.07034	1.4
119.08590	15.0
121.06528	2.3
121.10131	8.0
125.09670	2.7
128.06319	2.1
129.07042	5.2
131.08597	5.1
133.10150	11.2
135.08089	9.5
135.11696	13.9
137.09647	2.0
141.07024	4.2
142.07814	4.3
143.08556	11.4
145.10164	5.7
147.08069	2.1
148.00749	1.2
149.09651	3.5
153.07013	1.6
155.08510	9.0
156.09343	11.3
157.10138	20.1
159.08109	1.4
159.11742	5.3
161.09692	3.4
163.11220	4.1
165.07043	3.3
167.08597	3.7
168.09358	2.1
169.10143	17.3
170.11018	2.2
171.08038	2.1
171.11699	16.8
172.08905	2.6
173.09689	2.5
176.98970	1.5
179.08655	2.7
180.09364	2.6
181.10135	6.1
181.12270	3.6
182.10933	7.1
183.11765	6.5
184.08949	1.7
185.09647	2.0
185.13240	8.9
187.11192	23.6
187.14929	2.1
193.10176	3.8
195.11703	9.4
196.12563	2.7
197.13289	31.5
198.14056	2.0
199.11177	21.9
207.11789	4.4
208.12485	1.7
209.13300	2.3
211.14847	17.8
212.15649	10.7
213.12897	4.6
213.16402	29.5
222.14177	2.7
225.12869	1.9
227.14302	1.3
227.17984	2.3
237.16501	11.7
237.18532	1.7
240.15181	2.1
255.17551	100.0
268.66248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03918	4.8
55.01841	6.4
55.05513	26.9
56.44222	1.8
57.03444	44.9
57.07076	7.1
65.03922	3.1
67.05509	75.8
67.05849	2.7
69.03408	2.3
69.07076	27.8
70.08232	4.7
71.01317	6.0
71.05000	7.9
79.05497	63.1
81.03413	9.6
81.07066	31.7
83.04979	26.5
83.08620	10.5
85.02851	2.1
85.06536	9.2
91.05486	30.1
93.07050	77.4
95.04974	8.7
95.08094	1.4
95.08607	18.0
97.06538	25.5
97.10175	14.8
98.21452	1.6
98.98479	21.6
99.04428	1.6
99.08032	4.0
105.07037	8.2
107.04916	3.5
107.08604	57.1
109.06448	5.4
109.10164	12.2
111.04387	2.2
111.08020	5.4
111.11694	1.6
112.97713	1.4
117.06999	10.0
119.08588	15.5
121.06437	5.4
121.10160	17.1
125.09566	4.7
128.06160	1.6
129.06960	2.7
130.07732	1.6
131.08514	2.6
133.10147	9.1
135.07970	3.4
135.11697	100.0
137.09619	6.9
139.07536	1.7
142.07738	1.8
143.08505	4.8
145.10121	18.2
148.90787	1.4
150.99733	1.5
152.07506	1.3
153.12648	3.5
156.09247	2.3
157.10106	7.9
159.11653	3.4
163.11177	16.7
167.08441	1.7
169.10088	2.6
171.11653	4.4
177.12581	2.4
181.10040	1.6
181.10677	1.5
181.12239	18.6
182.10776	1.6
183.11742	2.5
185.09543	2.7
195.11690	3.7
195.13536	2.1
197.13139	5.9
199.11038	4.3
199.13091	3.1
211.14719	2.2
213.16185	3.7
237.16415	2.4
255.06473	1.8
255.15741	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03947	4.5
54.97023	1.7
55.01872	15.0
55.05516	24.9
57.03443	28.2
57.07072	5.1
57.24639	1.9
57.74788	1.9
58.03807	2.1
59.05007	3.4
62.07586	1.9
67.05510	63.5
69.03423	3.4
69.07072	28.4
71.01337	3.9
71.04999	11.7
77.03923	2.4
79.05499	58.4
81.03437	7.6
81.07066	39.4
83.04986	36.3
83.08621	10.7
85.02939	3.9
85.06542	7.4
87.04472	4.5
89.67953	1.7
91.05489	22.8
93.07051	62.9
95.04991	9.1
95.08621	23.7
97.06538	60.0
97.09657	1.9
97.10176	13.9
98.98465	24.9
99.04451	3.1
99.08088	3.1
105.07028	20.1
107.04968	8.4
107.08600	56.5
109.06525	9.0
109.10142	13.1
109.99229	1.9
111.04453	46.2
111.08085	5.8
113.06011	4.1
113.09657	2.0
115.03976	4.5
117.07035	13.0
119.08604	20.0
121.06522	4.6
121.10138	14.6
123.08107	5.3
123.11705	4.1
125.06004	100.0
125.09647	7.3
129.06995	2.4
131.08566	7.6
133.10138	11.3
135.08043	13.5
135.11699	74.1
137.09666	2.4
139.07564	5.3
141.07030	3.0
142.07869	2.8
143.07065	13.5
143.08557	8.3
145.10120	20.8
147.11665	2.7
149.09604	4.2
149.13251	2.4
151.07564	4.8
153.05489	23.0
153.06688	3.2
153.09149	3.3
153.12691	2.8
155.08566	6.1
156.09377	5.7
157.10127	16.5
159.11725	11.2
161.09598	5.2
163.07588	3.9
163.11211	15.4
165.07018	2.5
167.07037	4.9
169.08740	2.4
169.10066	9.8
171.11690	11.5
172.08907	2.0
173.09610	4.5
173.13307	5.3
175.11214	3.7
177.12761	4.7
180.09302	2.4
181.08569	7.0
181.10057	4.3
181.12225	17.3
182.10956	6.9
183.11670	13.0
185.09651	3.7
185.13223	2.8
187.11203	7.3
191.10716	5.2
191.14378	10.7
195.11732	7.1
195.13809	6.3
197.13266	27.3
199.11209	8.4
201.12752	9.7
205.12321	1.9
207.11752	3.1
208.12502	2.4
209.13312	3.6
209.15367	2.5
211.14801	7.4
212.15645	3.9
213.12752	2.1
213.16470	10.0
219.13817	62.3
222.14003	3.4
223.13310	2.3
224.88817	1.8
237.14734	40.0
255.10144	2.3
255.15903	50.8
255.17775	26.9
255.21257	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	255.1593
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03943	4.2
53.24286	1.3
54.82209	1.3
55.01866	5.0
55.05274	1.9
55.05516	28.4
57.03439	41.8
57.07066	4.8
59.05004	2.1
60.87745	1.5
67.05508	75.7
69.07074	28.3
69.78112	2.2
69.78390	8.1
71.01365	3.6
71.04996	9.5
79.05498	67.6
81.03416	10.0
81.07059	39.2
83.04987	23.5
83.08611	9.1
84.39224	1.5
85.02860	1.8
85.06529	6.4
91.05481	27.7
93.07050	72.0
95.04956	10.3
95.08619	17.7
95.67145	1.2
97.06541	21.4
97.10184	12.4
98.20802	2.0
98.98475	14.0
99.04425	1.5
99.08095	6.0
99.48930	1.3
101.48363	1.6
105.07014	7.2
107.04951	5.3
107.08598	54.6
107.97935	1.4
109.06505	5.5
109.10159	12.7
109.15738	1.4
111.08076	3.8
113.06049	2.1
115.07510	1.5
117.07001	8.2
119.06070	1.4
119.08592	15.3
121.06487	5.6
121.10136	15.4
123.08073	4.5
125.06016	2.0
125.09617	5.7
129.06987	1.8
131.08582	5.1
133.10132	7.1
135.08090	4.6
135.11702	100.0
137.09601	4.5
139.07637	1.6
141.07040	1.7
143.08527	4.1
145.10133	18.5
153.12752	3.8
155.08575	2.9
157.10146	4.7
159.11656	2.9
161.09647	2.5
163.11166	16.2
169.10091	2.3
171.11668	4.0
173.13208	2.2
181.12233	18.9
182.10861	1.7
183.11670	2.0
185.13309	2.3
187.83247	1.3
191.14290	1.8
193.12230	4.5
195.11713	3.2
197.13251	6.0
199.11191	1.8
201.12639	1.4
211.14885	4.2
212.15614	2.7
213.16415	5.0
219.13725	1.8
223.13176	1.9
237.14841	4.1
255.15640	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
53.03941	5.1
55.01864	11.2
55.05518	25.7
56.00528	1.7
57.03441	51.9
57.07063	5.4
59.04758	1.8
59.05004	23.4
67.05508	79.3
69.03413	5.4
69.07074	26.1
69.50630	1.8
69.54102	1.7
70.00311	3.8
70.00714	4.6
71.01345	6.4
71.05000	9.2
71.05323	1.7
75.04436	1.9
79.05498	64.8
81.03404	8.1
81.07062	41.7
83.04559	2.1
83.04992	21.8
83.08614	7.1
85.02894	2.7
85.06537	8.0
87.04472	3.0
91.05486	28.1
93.07050	81.6
95.04955	7.8
95.08611	17.0
95.61935	1.8
97.06535	43.4
97.10161	15.1
97.66478	1.7
98.20889	2.5
98.98475	14.6
99.04435	2.3
99.08060	6.3
99.08678	2.3
101.05991	3.6
105.07030	9.4
107.04951	3.7
107.08604	50.6
109.06509	5.1
109.10174	14.3
111.04442	5.3
111.08070	6.1
113.05980	3.6
115.03888	2.5
117.07043	9.0
119.08584	13.8
121.06486	5.5
121.10159	13.8
121.47482	1.9
123.08117	9.8
123.08826	1.9
125.05997	25.5
125.09624	15.1
129.06999	2.9
131.08543	6.8
133.10155	8.8
135.08028	5.9
135.11705	100.0
137.09604	4.9
139.07555	28.4
145.10138	19.5
146.04849	1.8
149.09634	3.5
153.05476	2.0
153.09116	1.7
153.12762	2.7
155.07089	2.0
155.08533	1.9
157.08522	2.2
159.08041	2.4
159.11740	8.8
163.07530	2.5
163.11200	23.1
167.07066	11.7
172.36356	1.6
177.09076	2.8
177.12764	4.4
179.10608	2.9
181.12219	24.4
183.11642	1.9
191.14320	16.4
201.12665	2.6
219.13802	23.1
219.17390	2.0
223.13429	2.2
237.14862	11.1
255.11984	3.5
255.15906	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03934	3.3
55.01878	3.9
55.02090	0.8
55.05515	20.4
57.03442	43.6
57.07087	4.0
59.05001	7.9
64.75194	0.7
65.03934	2.4
65.46480	0.8
67.05511	62.7
69.03423	3.1
69.07073	20.9
71.01360	6.7
71.05006	7.0
71.52058	1.0
72.08164	0.8
73.06577	0.8
79.05500	61.0
81.03425	7.5
81.07063	37.3
83.04985	15.9
83.08224	0.7
83.08634	6.8
84.53741	1.1
85.02866	1.1
85.06549	6.1
91.05493	21.9
93.07052	65.9
95.04990	7.7
95.08051	1.3
95.08606	14.5
97.02862	1.2
97.06542	22.7
97.10178	16.5
98.97562	1.9
98.98473	7.5
99.04434	2.2
99.08083	3.3
105.04541	1.3
105.07046	7.1
107.04947	2.7
107.08606	46.1
109.06542	3.9
109.10163	10.5
111.04437	1.2
111.08076	4.8
111.11720	1.5
116.98601	0.8
117.07006	6.4
119.08599	9.7
121.06499	2.3
121.10146	12.8
123.08024	1.1
125.05986	2.7
125.09629	5.1
127.07581	0.8
130.07784	1.5
131.08591	1.5
133.10147	7.4
135.08076	3.3
135.11702	100.0
137.09572	2.7
139.07489	1.6
139.11197	1.6
143.07005	1.0
143.08597	1.4
145.10138	14.4
149.13290	1.2
151.11209	1.1
153.09042	1.1
153.12785	6.5
156.13864	1.1
157.09949	1.0
159.11676	1.6
163.11201	16.5
167.07147	1.0
173.13321	0.8
177.00742	0.8
177.12791	1.3
181.06406	1.5
181.12244	24.9
182.11824	1.0
191.14339	1.2
195.13832	1.2
199.13339	2.3
209.11551	1.2
213.11230	1.0
219.13834	2.8
223.13283	1.6
229.43741	0.9
237.14851	2.2
255.06500	8.5
255.15909	72.9
260.52682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01867	0.5
55.05528	0.5
56.96569	1.1
61.02923	1.7
64.53915	0.5
67.05500	0.6
69.03435	1.2
70.06592	1.1
70.72717	1.2
71.04971	0.6
72.08168	1.4
79.05503	1.1
81.03426	1.9
81.07065	0.9
84.08162	1.3
86.09717	3.3
88.04001	5.5
89.03923	1.9
91.05489	1.3
93.07037	1.3
94.06635	0.5
96.04499	0.9
98.97600	2.2
98.98477	4.8
100.13823	0.5
103.05492	3.3
107.04946	0.7
109.02903	1.1
110.03216	1.7
116.98655	1.0
117.03349	1.1
120.08120	100.0
124.07602	0.8
129.10268	0.8
130.06554	0.6
135.04434	1.8
145.02863	0.8
145.06567	0.5
146.99654	0.9
147.11348	0.5
163.03917	8.0
166.08650	3.7
174.99174	1.0
189.00687	0.9
193.00076	0.7
207.01886	0.5
208.09709	33.3
216.34157	0.5
236.09215	1.3
254.10274	2.7
254.14070	1.0
254.17673	0.5
263.00836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98263	15.7
70.21780	3.3
78.95639	49.2
98.85080	1.1
100.02520	1.4
100.04120	1.2
108.02273	1.4
142.03542	1.7
156.94841	5.4
156.98674	1.2
164.93077	1.9
172.92255	100.0
178.01047	1.4
196.86893	3.2
200.92807	2.6
236.99757	1.8
255.01189	1.5
255.06303	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	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03440	2.7
59.04992	0.3
61.02916	1.1
62.98258	0.7
64.08958	0.2
69.03440	1.4
70.16375	0.7
71.01355	1.0
73.02931	3.5
78.03450	0.7
80.05033	2.6
85.02914	2.4
87.04465	0.8
94.14854	0.2
94.93027	0.5
96.04510	0.6
97.02906	0.9
98.98445	0.7
103.03944	0.4
104.07122	1.4
106.02921	5.9
106.28999	0.3
110.07160	0.9
112.89599	0.4
115.03943	1.8
123.05566	100.0
124.03954	0.6
124.05884	0.3
133.04987	2.6
138.05522	2.3
151.94814	0.2
152.05693	4.2
156.94925	0.3
203.28166	0.3
255.06360	0.5
255.09804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2163
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03945	3.6
55.01865	3.0
55.05512	59.7
56.46080	1.5
57.03431	3.6
57.07077	15.1
59.04984	1.8
59.48224	1.4
60.18101	1.2
64.74364	1.1
67.05507	50.1
67.93016	1.3
69.03431	3.5
69.07072	93.8
70.15153	3.4
71.04992	8.0
71.08630	5.0
73.06566	1.5
79.05488	25.6
81.03394	1.4
81.07059	80.8
83.04984	6.7
83.08622	60.1
83.09129	2.0
85.06551	10.5
85.10191	2.9
87.04501	2.2
89.06021	1.2
91.05480	24.0
93.06482	2.6
93.07049	38.4
95.04962	3.1
95.08611	78.8
97.06533	12.6
97.10173	50.0
98.98468	100.0
99.04434	2.3
99.08093	9.6
100.98846	1.4
101.06034	1.5
105.06329	1.2
105.07030	22.9
107.08603	25.8
109.06533	7.2
109.10161	40.1
111.08065	9.0
111.11717	20.1
113.05993	1.7
113.09645	3.5
115.07490	1.7
115.81573	1.2
116.99464	2.0
117.06989	1.5
119.08581	25.5
121.06511	1.4
121.10144	33.7
123.08062	6.6
123.11713	15.5
125.05978	1.5
125.09626	6.6
125.13286	5.3
127.07559	2.3
127.11187	1.9
129.09129	1.7
129.10170	1.1
131.08592	2.7
133.10127	26.0
135.08055	2.2
135.11688	35.8
137.06052	1.5
137.09624	9.7
137.13240	8.0
139.07527	2.2
139.11134	7.8
141.09135	2.4
145.10092	2.1
147.11687	25.0
147.12817	2.0
149.13248	7.7
151.07533	2.8
151.11206	12.3
151.14804	5.2
153.11700	1.4
153.12729	6.8
155.08572	2.1
157.10052	1.4
157.12221	1.6
159.11761	1.6
161.13278	20.8
163.14838	2.2
165.12752	8.1
167.14296	2.3
167.99792	1.2
169.12274	1.9
174.99252	2.1
175.11169	2.3
175.14828	9.8
175.62981	1.3
176.98941	2.8
177.16385	3.1
179.10687	2.3
179.14340	7.1
189.12732	1.3
189.16403	4.4
191.17934	3.6
193.12277	1.5
193.15872	2.5
193.19464	6.0
197.11765	2.4
201.19049	1.5
206.98965	2.7
217.12289	1.9
217.16101	2.2
217.19536	49.7
217.21620	2.8
235.13264	4.8
235.16928	4.7
235.20558	36.8
253.14197	3.4
253.18147	2.6
253.21623	34.4
253.24113	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	253.18
Annotation	5-Demethoxyfumagillol
Peak:m/z	Relative Intensity
53.03930	3.0
55.01880	7.5
55.05515	60.4
56.16123	1.2
57.07078	8.0
67.05508	13.3
69.03449	1.2
69.07072	8.8
70.57034	3.4
70.98713	1.2
79.05067	1.4
79.05499	16.8
81.07059	59.0
83.04983	3.7
83.08622	85.3
85.06549	4.1
91.05473	9.6
93.07040	9.9
95.04963	5.2
95.08621	7.5
97.06522	3.7
98.98472	30.2
99.08089	1.7
105.07053	9.3
107.08618	5.5
109.06522	100.0
109.10164	4.2
111.08085	31.3
119.04971	1.3
119.08575	8.0
121.06522	1.4
121.10140	4.2
123.08044	3.0
125.09620	2.1
127.07473	1.3
129.07031	1.4
133.10124	3.7
135.08032	5.4
135.11745	1.3
137.05986	54.0
137.09612	4.0
139.11159	7.1
141.09103	3.9
143.08543	1.5
145.10161	1.6
147.08040	3.4
147.11700	1.8
151.07539	2.2
153.09134	2.0
157.10103	1.4
159.11703	2.3
161.13266	7.2
165.09169	5.8
167.10681	2.0
175.11237	1.4
175.14801	5.6
179.14326	6.4
185.13277	8.1
191.14288	2.5
193.12253	3.0
193.15895	7.1
197.11723	1.5
203.14354	9.7
221.15379	26.4
235.16887	3.0
253.14125	5.4
253.17999	21.4
269.83334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
52.03878	1.9
53.03931	4.2
55.01876	8.5
55.05516	13.4
57.03383	1.6
57.07053	4.5
59.04995	1.8
67.05245	1.3
67.05506	16.0
69.03408	5.6
69.07079	10.1
70.15009	6.1
71.05003	11.1
77.03928	1.8
79.05078	2.2
79.05497	32.4
81.03413	4.2
81.07056	45.5
83.04996	11.8
83.08622	3.3
85.06513	6.0
91.05478	25.5
93.07046	77.6
93.07638	3.8
95.04969	10.3
95.08616	20.0
97.02899	2.1
97.06534	18.4
98.20898	2.1
98.98466	100.0
99.04458	19.8
101.06002	3.5
105.04551	1.8
105.07030	37.5
107.04944	5.6
107.08589	33.7
109.02845	3.9
109.06519	32.3
109.10134	9.4
111.04433	1.9
111.08066	5.5
113.06001	4.7
116.99490	1.9
117.06995	4.5
119.04884	1.8
119.08579	28.5
121.06506	63.0
121.10151	11.0
123.04422	6.5
123.08044	8.5
123.11685	5.9
125.05962	4.8
125.09560	1.8
127.07546	16.0
128.06198	1.9
129.06979	6.0
131.08569	12.3
133.06488	5.4
133.10130	18.9
135.04425	3.6
135.08057	24.3
135.11652	2.8
137.05954	6.4
137.09633	4.7
139.07544	14.9
141.05446	4.9
142.07788	8.3
143.08580	13.6
145.06503	1.7
145.10141	11.6
147.08052	6.0
147.11687	46.8
149.13281	1.8
151.07497	5.4
151.11128	2.2
153.09096	4.1
155.08562	2.0
156.09311	4.6
157.10129	29.5
159.08060	2.4
161.05978	1.7
161.09598	4.1
161.13280	9.2
163.11235	1.6
165.09073	2.2
165.12770	17.1
166.07808	3.1
168.95140	2.0
171.08110	1.5
171.11690	23.3
173.09624	4.5
173.13318	2.1
174.99182	2.8
175.11194	27.8
177.09109	1.9
179.10667	1.8
181.10094	2.7
183.13808	2.0
184.08777	2.0
189.12743	31.3
191.14151	1.9
193.12242	11.5
195.10193	2.3
197.11638	3.1
199.11197	32.0
207.13797	16.9
211.13373	2.9
217.12238	96.1
217.15698	3.6
229.14340	2.7
235.13280	95.8
235.17010	3.7
253.08624	2.1
253.14296	53.7
253.18005	3.0
258.28729	1.5
271.73212	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	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03949	7.7
55.01864	4.0
55.05513	13.8
57.03422	4.3
57.07058	3.4
57.49040	1.0
59.04982	2.4
59.32808	1.0
65.03945	1.3
67.05180	1.7
67.05505	19.7
69.03436	19.0
69.07072	7.8
70.06582	1.9
71.04999	8.4
71.52673	1.4
77.52740	1.1
79.05083	1.7
79.05496	25.0
81.03429	13.9
81.07063	47.1
83.04985	8.6
83.08633	6.8
85.02895	2.8
85.06548	5.4
87.04446	1.1
91.05488	37.9
93.07044	34.9
95.04980	10.2
95.08614	16.3
97.02878	3.5
97.06539	17.2
97.10146	1.5
98.06029	2.1
98.09688	5.3
98.98473	100.0
99.04467	13.4
100.11268	16.7
101.06010	2.1
105.07034	34.0
106.02312	1.0
107.04961	6.2
107.08605	23.9
109.02888	46.2
109.05804	2.0
109.06522	29.7
109.10136	8.3
111.04427	4.7
111.08080	5.6
113.05997	2.6
115.05483	1.3
116.98625	1.4
116.99470	2.2
117.07015	4.7
117.13906	1.0
119.04939	1.8
119.08587	19.9
121.06516	71.7
121.10146	7.7
123.04421	2.8
123.08086	9.9
123.11725	2.9
123.47383	1.1
125.05990	4.2
125.09595	3.9
126.09147	2.3
126.32721	1.1
127.03929	10.3
127.07561	10.3
128.06204	1.8
129.06992	5.5
131.08594	8.3
133.06528	5.0
133.10144	37.4
135.04398	3.9
135.08066	11.0
135.11671	3.6
137.05943	6.4
137.09592	3.6
139.07527	8.7
139.11159	1.2
140.01038	1.1
141.05460	3.3
142.07774	3.7
143.07059	1.5
143.08546	8.4
143.11797	2.1
145.06505	1.9
145.10138	7.6
147.08084	5.7
147.11697	21.0
149.09616	2.3
150.94398	1.3
151.07582	6.1
151.11188	4.8
152.08333	1.4
153.05397	1.1
153.09027	1.5
155.08517	1.5
156.09288	2.1
157.08870	1.8
157.10129	12.4
159.08057	2.2
159.11725	2.5
160.08781	1.4
161.05963	2.2
161.09622	8.2
161.13263	11.0
163.07523	1.5
163.11185	2.3
163.14813	2.2
165.06982	1.6
165.09129	1.5
165.12784	6.8
166.07790	3.1
167.10648	1.5
168.13832	7.6
171.11694	12.6
173.09648	3.0
173.13278	1.4
174.99246	3.5
175.11192	14.9
175.14865	2.2
176.98935	2.5
177.09077	1.5
177.12669	1.7
179.10629	3.6
181.08629	2.0
181.10088	4.0
184.08830	2.0
185.16545	9.1
189.09161	1.2
189.12756	16.7
189.16357	2.2
193.12212	13.6
195.10196	3.1
197.11722	4.2
199.11211	23.8
207.13820	13.0
217.12254	67.7
217.15823	4.1
235.09692	2.4
235.13298	43.2
235.16797	6.5
253.08676	2.3
253.14342	36.3
253.19296	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	253.1438
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
50.05467	0.6
53.03956	2.1
55.01868	3.1
55.05514	5.7
57.03450	1.1
57.07077	0.8
65.03944	1.8
67.05511	8.0
69.03442	4.4
69.07079	6.0
71.05001	6.0
71.08829	0.9
77.03936	1.0
79.05502	23.0
81.03432	2.6
81.07065	47.7
83.04995	5.1
83.08638	1.6
84.22348	0.5
85.02921	2.1
85.06563	4.5
91.05489	13.7
91.06028	1.2
93.07054	39.8
95.04984	8.3
95.08616	13.0
96.88236	0.5
97.02868	1.0
97.06541	14.4
97.97699	0.7
98.98477	17.3
99.04474	8.5
101.06017	0.7
103.05458	1.0
105.04521	1.2
105.07043	23.9
107.04964	6.4
107.08607	21.0
109.02896	5.7
109.06532	33.2
109.10188	3.4
111.04430	1.6
111.08079	3.7
113.06017	2.3
113.79469	0.5
115.05462	1.0
117.07014	3.9
119.04944	2.2
119.08603	16.9
121.06516	100.0
121.10146	3.9
123.04425	2.3
123.08089	5.6
123.11720	1.9
125.06016	3.6
127.03958	1.5
127.07568	10.7
128.06252	1.9
128.56494	0.6
129.07031	4.9
130.07770	0.9
131.08595	4.7
133.06531	3.6
133.10139	9.6
135.04448	5.4
135.08064	10.1
135.11696	0.7
137.06035	3.9
137.09616	1.7
139.03894	0.6
139.07561	8.3
141.05493	1.6
141.07057	1.2
142.07819	3.9
143.07065	2.1
143.08586	9.3
145.06480	0.8
145.10124	6.3
147.08081	4.4
147.11705	24.9
149.09610	0.8
151.07555	1.7
153.07043	0.7
155.08549	1.5
156.09312	4.6
157.06525	1.9
157.08774	1.6
157.10132	16.6
158.07285	1.0
159.08109	2.2
160.08846	0.8
161.05959	1.6
161.09639	1.5
161.13264	11.1
163.11198	0.9
163.14801	1.8
165.07066	1.6
165.12741	5.5
166.07803	4.4
171.08022	1.3
171.11710	17.2
173.09590	2.7
173.13286	1.1
174.99150	1.3
175.07487	0.6
175.09772	1.2
175.11205	16.9
179.10918	0.5
181.10126	6.7
184.08833	2.1
187.11331	0.7
189.09010	0.8
189.12764	20.3
191.14258	0.9
192.57028	0.5
193.12271	11.2
199.11198	31.8
204.54332	0.6
207.13820	12.7
211.13347	3.1
217.12259	90.1
235.13313	55.7
241.05099	0.7
253.08615	2.0
253.14362	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
51.02394	1.4
53.03965	2.2
55.01884	3.9
55.02124	0.8
55.05518	5.6
56.96584	1.0
57.03449	1.0
57.07087	1.1
59.05037	0.8
60.04527	5.1
65.03944	1.4
67.05508	10.8
69.03435	4.1
69.07064	5.5
70.06605	1.5
70.97317	1.2
70.97630	0.8
71.04992	7.3
79.05496	23.9
81.03431	2.6
81.07062	45.0
83.04991	6.7
83.08636	3.4
84.08173	1.4
85.06563	4.9
91.05487	14.8
91.06032	1.3
91.80020	0.8
93.07050	41.5
95.04974	9.7
95.08611	14.5
95.09172	1.0
97.02866	2.0
97.06532	14.4
98.98473	43.1
99.04464	10.5
99.08086	1.1
100.98891	0.9
101.06034	1.4
103.05467	1.1
105.04562	0.8
105.07039	26.5
107.04954	6.2
107.08599	22.2
109.02905	5.1
109.06527	34.1
109.10162	5.9
110.07114	0.7
111.04462	1.3
111.08091	3.9
113.06022	3.1
115.05453	1.4
117.07013	1.9
119.04946	1.8
119.08592	16.0
120.08116	11.1
121.06514	100.0
121.10115	5.2
123.04419	2.9
123.08076	6.1
123.11678	1.9
125.06013	4.4
127.03932	1.5
127.07579	11.9
128.06232	2.8
129.06993	6.2
131.08569	4.8
133.06520	4.6
133.10126	11.8
135.04417	5.0
135.08044	11.1
135.11723	1.5
137.05989	5.3
137.09596	2.0
139.07561	9.5
141.05453	1.7
141.07059	0.9
142.07779	3.8
143.07056	2.3
143.08563	8.9
144.08127	0.8
145.06474	1.6
145.10112	7.5
147.08044	6.0
147.10512	1.4
147.11696	26.4
148.12003	0.8
149.09637	1.2
151.07547	2.6
151.11163	1.1
153.06990	0.8
153.09044	1.3
155.08531	2.2
156.09332	3.4
157.06487	1.5
157.08838	1.1
157.10146	15.2
159.08025	1.5
159.11691	0.9
161.05940	1.8
161.09604	2.7
161.13284	12.4
163.11148	1.0
163.14827	1.7
165.07025	1.7
165.09021	0.8
165.12787	6.4
166.07568	2.2
166.08672	4.0
168.10191	1.6
171.08075	1.8
171.11711	17.7
173.09624	2.6
173.13304	1.9
175.09785	1.5
175.11201	18.2
176.98950	1.0
177.09071	1.0
177.96471	0.8
179.08646	0.8
181.10088	6.1
184.08820	2.3
189.09085	1.2
189.12753	21.0
193.10675	1.1
193.12262	13.6
196.09656	1.3
197.11743	1.2
199.11191	32.9
204.10497	0.7
207.11288	2.5
207.13766	13.1
211.13268	2.7
217.12247	93.7
235.13298	52.6
235.16972	2.1
253.11736	4.8
253.14273	25.1
253.18143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01871	19.8
55.05513	4.8
56.96548	2.7
57.03423	2.5
59.76470	0.6
65.03933	1.2
67.05505	16.4
69.03428	4.4
69.07072	19.5
69.20791	0.7
70.53030	1.6
70.62135	0.7
71.04993	3.5
71.06100	1.5
72.96059	0.9
79.05496	18.9
81.03419	6.5
81.07058	37.8
83.04977	12.5
83.08620	2.0
85.02904	3.0
85.06541	1.3
85.07632	1.6
87.04471	19.1
91.05489	8.3
93.07054	12.0
93.35802	0.7
95.04376	1.3
95.04974	22.8
95.08611	15.9
95.84204	0.6
97.02879	1.1
97.06533	44.4
98.98473	36.6
99.04457	1.8
99.08083	2.2
101.06009	0.8
101.69254	0.7
103.71171	0.7
105.07033	19.3
107.04947	3.2
107.08618	6.3
109.06525	6.9
109.10168	3.9
111.04451	33.4
111.08094	7.0
113.06017	4.8
115.03913	5.5
117.07082	1.1
119.04912	1.1
119.08588	8.5
119.14229	0.9
121.06506	3.0
121.10172	5.2
123.04436	1.8
123.08068	36.6
123.11706	0.7
125.05997	59.3
125.09634	2.0
128.06233	0.8
129.07010	3.8
131.08577	3.0
131.14131	0.7
133.06531	3.9
133.10136	6.5
135.08055	2.1
135.11690	1.1
137.05981	14.6
137.09622	1.9
139.07549	14.8
139.11145	3.8
142.07764	1.1
143.07034	8.7
143.08562	2.7
145.10144	1.8
147.08037	3.9
147.10626	1.2
147.11678	7.9
149.05931	1.9
149.09575	1.5
151.07544	3.2
151.11163	2.2
153.05478	21.9
153.09099	2.1
155.07074	0.9
156.09367	1.2
157.10124	4.3
161.05983	0.7
161.09610	2.1
163.03114	0.7
163.07600	1.1
165.05444	2.4
165.09183	0.9
165.12766	2.2
167.07047	2.9
171.06543	3.1
171.08804	6.5
171.10115	1.0
171.11714	3.3
174.99135	1.1
175.11195	11.4
176.98917	0.7
179.10643	1.3
181.09978	0.8
189.09126	0.9
189.12732	8.1
189.25313	0.8
191.10780	0.9
193.12248	100.0
195.10208	1.5
197.11772	1.2
199.11171	4.3
207.13828	3.5
209.11745	0.8
217.12238	18.0
233.04048	0.7
235.13281	47.5
241.11115	1.8
253.11151	2.4
253.14305	14.9
253.16486	1.5
253.18365	1.1
259.12189	1.9
271.12213	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	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05506	1.0
57.03435	1.9
59.05009	1.3
60.52406	0.4
61.02925	1.4
63.03522	0.4
67.05505	4.5
69.03435	4.8
69.07067	1.3
69.26202	0.8
69.26602	3.3
70.06599	0.7
71.04999	1.3
72.08167	0.7
73.02934	0.7
73.06558	100.0
79.05492	0.9
81.03435	1.3
81.07059	1.7
84.08154	0.5
85.02907	19.2
85.06564	0.9
87.14175	0.4
91.04025	0.6
91.05515	0.7
91.07591	5.2
93.07045	0.4
94.38799	0.5
95.08611	1.2
97.02899	3.3
97.07825	0.4
97.08466	0.5
98.98470	33.3
99.04458	0.9
100.98869	0.6
105.07065	0.6
106.05083	0.5
109.02906	2.1
109.10178	2.0
115.07581	0.9
127.03915	3.0
133.10101	0.4
145.04967	2.5
147.11636	0.5
163.03970	0.5
176.98958	0.8
179.08376	0.5
197.11790	1.3
208.08420	0.6
223.06436	0.5
231.10034	0.5
235.10107	1.3
253.08405	0.8
253.11960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.9722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61101	2.7
63.98373	2.8
70.10217	13.2
72.08147	3.1
75.21516	2.5
78.95634	3.5
84.08138	4.0
98.98469	38.5
103.28745	2.8
110.07167	7.1
116.69684	2.9
118.98732	5.5
119.63453	2.9
120.96616	3.6
134.94574	4.0
147.70226	3.3
148.96133	27.3
150.05513	6.0
158.31696	3.3
161.33472	3.7
162.97699	6.3
172.96129	4.8
212.84297	3.1
234.96159	11.2
235.14229	3.5
252.97231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.9723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	3.5
61.58851	2.7
64.66772	2.8
67.05536	2.9
70.30459	11.8
84.97551	3.2
85.29858	3.0
88.27741	2.9
90.55336	2.6
98.98476	93.1
110.07214	3.5
118.98714	4.8
148.96140	32.3
162.97682	4.7
198.72507	2.8
234.96121	6.6
252.97235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid
Peak:m/z	Relative Intensity
53.03933	1.0
53.27229	0.4
54.08528	0.4
55.05500	0.5
56.96572	0.6
60.04518	0.9
65.03934	1.0
66.04725	0.5
67.05512	0.5
70.06585	1.1
71.04998	0.5
72.08141	0.5
79.05486	1.2
79.97770	0.5
81.07068	0.8
84.08125	1.9
86.09692	2.4
90.04709	0.6
91.05489	7.5
93.07042	0.9
94.06563	0.7
95.04945	0.7
98.97535	0.6
98.97832	0.5
98.98470	7.4
101.34100	0.6
103.05471	7.5
107.04942	0.5
109.02885	0.6
109.06536	0.5
110.07133	0.8
117.07018	0.7
118.04190	3.7
118.06530	4.2
119.04958	0.9
120.08114	11.9
120.78441	0.5
121.06487	3.4
129.10243	1.1
131.04942	17.6
131.06000	2.2
132.08112	0.6
134.09634	0.8
136.06190	17.4
145.06483	0.5
146.06015	22.6
147.04416	1.8
148.07520	0.7
156.07657	0.9
160.07578	3.4
162.09108	1.1
164.07071	18.9
173.05988	1.3
174.05519	2.7
175.03908	11.2
175.05278	1.0
188.07147	0.8
190.08678	0.5
192.06577	6.1
205.50833	0.4
205.98734	1.3
206.08174	1.5
208.09660	2.0
210.07661	4.4
212.32286	0.4
216.06583	1.3
234.07471	3.0
234.13518	2.2
252.08678	100.0
252.14279	10.7
253.09068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66635	0.3
70.02958	0.6
70.63055	0.3
70.63411	0.7
77.03915	0.4
84.89774	0.3
84.90292	0.3
86.94048	0.2
87.00836	3.2
87.85342	0.2
91.05482	0.9
93.07054	1.2
98.98463	1.3
103.05470	6.0
107.04967	0.4
112.21597	0.2
118.05707	0.6
118.06547	10.0
119.07338	0.3
120.08108	100.0
128.04994	1.4
131.04948	0.6
136.06216	0.4
143.93100	0.2
144.08054	0.4
145.06505	0.4
146.06015	17.9
149.05971	0.2
153.32144	0.2
161.06027	0.3
164.07111	0.5
166.08630	2.5
188.07074	17.7
192.06607	1.3
206.08131	67.8
216.06544	0.4
230.47189	0.3
234.07697	1.9
252.08643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03939	0.2
55.01875	0.3
55.05512	1.7
57.03429	0.2
57.07071	0.3
59.04996	0.2
60.79390	0.1
61.61151	0.1
65.03950	0.3
65.55042	0.1
65.73039	0.1
67.05509	8.2
69.03424	0.2
69.07074	1.3
69.71535	0.6
71.05000	0.6
73.01527	0.1
77.01603	0.5
79.05499	3.1
81.03419	0.3
81.07060	7.7
83.04993	0.6
83.08624	1.5
85.06551	0.3
87.66953	0.1
91.05492	2.1
93.07051	3.2
93.07640	0.2
95.04977	0.9
95.08615	6.8
97.06543	1.3
97.10185	0.7
98.98473	100.0
99.04449	0.2
99.08098	0.2
105.07030	1.6
107.04977	0.7
107.08608	2.4
109.06505	0.5
109.10163	3.6
111.08102	0.8
116.99500	1.8
117.07040	0.4
119.08596	1.8
121.06507	0.5
121.10157	2.9
121.11036	0.1
121.27113	0.1
123.08087	0.5
123.11705	1.2
125.06039	0.2
125.09628	0.4
131.08589	0.9
133.10141	2.2
133.11095	0.2
135.08044	0.4
135.11690	2.0
137.09627	0.7
137.13292	0.2
139.11205	0.2
140.01060	1.2
143.08597	0.1
145.10101	0.8
147.11691	0.5
149.09656	0.2
149.13293	0.6
151.07596	0.3
151.11206	0.7
153.09117	0.2
155.10779	0.2
159.08101	0.1
159.11678	0.8
161.13268	0.2
163.11220	0.5
164.75055	0.1
167.10719	0.1
173.13309	0.6
174.99240	5.3
177.09184	0.1
177.12733	0.3
181.10324	0.1
181.12245	0.4
187.11179	0.1
187.14842	0.4
191.14328	0.4
191.17982	0.2
193.10161	0.2
195.13857	0.2
197.13350	0.2
205.16054	0.1
209.13385	0.2
209.15349	0.2
215.14444	0.2
215.17984	1.5
223.14935	0.1
233.11699	0.2
233.15474	0.9
233.19017	1.0
251.00021	0.2
251.12534	0.2
251.14511	0.2
251.16513	1.5
251.20137	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.05506	1.3
56.05030	0.7
67.71136	0.6
69.07077	1.0
69.64647	3.3
70.02947	1.6
70.06595	0.9
72.08157	1.0
74.02446	9.3
75.53027	0.5
77.03941	0.6
79.05492	0.6
81.07051	1.3
81.27808	0.6
84.04514	12.3
84.08159	1.7
85.02926	0.7
86.09746	2.7
87.04469	0.8
88.03999	19.1
91.05490	41.2
91.34345	0.6
93.07024	0.6
95.04984	4.0
98.21491	1.1
98.97584	1.0
98.97820	0.9
98.98469	8.5
99.10773	0.6
101.05190	0.5
102.05552	3.1
105.03400	100.0
108.08098	0.8
109.02849	0.5
110.06007	0.6
116.03465	7.1
120.08117	1.3
124.82562	0.6
130.05006	6.5
134.04495	28.5
136.06203	23.5
136.07419	0.6
136.07683	0.6
146.05939	0.7
163.97768	0.8
177.05473	0.8
178.05933	0.7
179.83389	0.5
192.06764	0.6
205.98814	1.8
206.08206	2.8
216.06503	0.6
234.07603	5.1
234.11510	0.8
234.13498	3.9
252.06700	0.5
252.08858	4.1
252.12267	1.0
252.14397	14.2
252.23346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	Dihydrohypnophilin
Peak:m/z	Relative Intensity
55.01871	1.1
55.04764	0.6
55.05510	4.2
57.03423	1.1
57.07074	2.0
59.04997	3.5
67.05504	11.7
69.03435	3.2
69.07070	4.6
69.53515	4.8
70.06571	0.9
71.05003	4.1
77.01572	0.9
79.05495	6.0
81.03412	1.6
81.07054	10.6
83.04973	2.9
83.08627	3.5
85.02905	1.9
85.06540	5.1
91.05467	4.7
93.07047	10.2
95.04971	10.5
95.08613	7.7
97.02898	1.0
97.06539	5.5
98.98468	100.0
99.04449	2.7
103.05486	0.6
105.03397	0.9
105.07034	9.6
107.04947	2.7
107.08598	11.5
109.06551	3.8
109.10159	20.5
111.04483	1.3
111.08070	2.4
113.05997	3.1
113.09682	0.7
115.05465	0.8
116.98682	0.9
116.99511	2.2
117.06999	3.2
119.08591	8.1
121.06515	4.1
121.10158	9.9
123.04456	1.0
123.08044	6.0
123.11701	1.2
125.06044	3.2
125.09639	2.2
127.03842	0.8
127.07556	0.7
129.06961	0.8
130.07800	0.8
131.08560	6.3
133.06508	1.5
133.10130	4.9
135.08086	3.2
135.11690	1.9
137.05969	1.9
137.09627	10.8
139.07547	1.8
143.08589	0.9
145.06342	0.7
145.10136	13.8
147.04449	0.8
147.08031	1.9
147.11679	3.7
149.05948	0.8
149.09641	8.9
149.13173	0.7
151.07564	5.4
151.11197	1.0
153.09097	2.0
155.10706	1.8
157.10078	1.7
158.99673	1.2
159.08040	1.9
159.11697	3.3
161.09615	1.7
163.11201	6.0
165.06970	0.8
165.09065	1.0
167.10699	1.9
169.10104	0.8
173.09651	3.2
173.13232	2.6
174.99242	4.4
175.11208	2.2
177.05531	0.8
177.09116	5.2
177.12709	1.3
181.12225	1.5
187.11191	3.0
187.14803	2.0
190.07693	1.4
191.08556	6.0
191.10683	2.5
191.14284	3.9
193.12193	1.7
195.10161	1.0
197.13313	1.2
205.12274	2.5
205.15884	3.3
208.08784	1.1
209.11642	0.9
209.15434	1.0
215.10594	1.6
215.14346	5.5
219.08011	3.0
233.07988	1.0
233.11801	4.7
233.15352	21.5
236.08383	0.8
251.10910	4.9
251.12894	2.6
251.16420	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Dihydrohypnophilin
Peak:m/z	Relative Intensity
52.55167	1.1
53.03937	1.3
55.01852	1.8
55.05516	4.7
57.07051	2.1
59.04966	3.3
59.25872	1.0
59.53715	1.0
60.04480	0.8
67.05506	5.1
69.03431	10.8
69.07069	12.8
71.04961	2.9
71.52740	1.5
72.43733	1.0
79.05499	5.1
81.07056	10.0
83.08620	4.5
84.05704	0.9
85.06510	2.2
86.98232	0.9
87.04430	3.4
91.05486	8.1
93.07045	12.9
95.04960	7.8
95.08603	12.1
97.02838	2.9
97.06510	1.6
98.98466	96.7
103.05431	2.3
105.03334	1.1
105.07024	8.6
107.04896	1.1
107.08595	8.4
109.06519	6.2
109.10152	6.7
111.04386	3.4
111.08001	1.6
113.06034	1.0
115.03866	3.4
116.99445	1.1
117.06985	2.3
118.00838	1.1
119.04974	0.9
119.08576	8.9
121.06508	18.1
121.10156	11.5
123.08073	6.0
123.11677	5.3
124.58497	0.9
125.05924	2.3
125.09649	1.9
131.08557	4.9
133.10143	7.1
135.08054	26.0
135.11662	6.2
136.12408	1.5
137.05905	3.3
137.09550	1.3
137.13208	1.8
139.07463	1.2
140.01044	1.6
143.08548	1.3
143.96425	1.2
145.06451	1.8
145.10139	6.5
147.07980	2.7
147.11620	4.3
149.05910	4.2
149.09529	3.8
151.07478	2.9
151.11113	3.9
157.10052	3.0
159.07973	3.3
159.11635	4.3
161.09587	1.3
163.07536	15.1
163.11182	1.6
163.14809	1.1
164.08257	4.3
165.09087	1.7
165.12712	1.2
167.08444	1.2
167.10657	1.2
171.11649	1.4
173.09500	2.6
173.13301	5.3
174.99182	7.3
175.11063	3.0
176.11934	1.2
177.09117	9.3
179.08661	1.2
181.07130	1.1
181.08603	18.9
187.14752	4.4
187.89351	1.0
189.12711	1.3
191.10603	1.5
191.14294	17.2
193.12216	1.0
195.10088	4.3
195.11652	1.2
197.13254	3.2
205.15771	3.8
207.11597	1.2
207.13683	1.4
208.12415	1.1
209.13231	2.0
215.14323	13.8
215.17834	2.6
221.13249	1.4
227.93500	1.0
233.15359	100.0
251.10503	1.6
251.16301	46.7
251.20413	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	Dihydrohypnophilin
Peak:m/z	Relative Intensity
53.03943	1.4
55.01868	1.3
55.05515	7.9
56.96560	1.8
57.03443	3.3
57.07080	3.3
59.05005	40.5
61.49347	0.7
65.03952	1.3
67.05511	12.4
69.03434	4.4
69.07069	5.5
69.45343	5.0
70.06602	0.7
71.04995	9.9
73.06540	1.5
79.05498	6.9
81.03423	1.8
81.07056	14.2
83.04977	4.5
83.08623	14.6
84.08102	0.8
85.02911	1.0
85.06542	5.8
87.04517	0.6
89.06058	0.7
91.05489	7.3
93.07053	10.7
95.04981	13.6
95.08607	9.5
97.02898	0.8
97.06546	9.2
98.97594	7.9
98.98474	100.0
99.04481	4.0
99.08108	1.4
103.05459	1.2
105.03401	1.6
105.07045	8.8
107.04940	3.7
107.08601	13.0
109.06516	5.7
109.10162	26.2
111.04464	1.6
111.08073	3.5
113.05992	3.7
113.09634	1.2
116.98610	3.9
116.99506	2.2
117.07037	3.1
117.09140	7.9
119.04945	4.9
119.08597	11.0
121.06518	5.2
121.10149	12.7
123.08083	7.1
123.11726	1.2
125.05997	2.9
125.09638	2.2
127.11205	0.7
129.07030	1.4
130.07788	0.9
131.04884	0.7
131.08580	7.7
133.06522	1.9
133.10156	4.8
134.99690	1.2
135.04414	0.6
135.08067	4.3
135.11711	3.5
137.05984	1.6
137.09608	11.0
139.07541	2.1
141.05479	0.7
143.08641	0.9
145.02858	1.1
145.06505	1.1
145.09048	1.3
145.10132	15.2
147.04416	15.9
147.08063	2.1
147.11673	4.8
148.04787	1.1
149.05939	0.7
149.09647	11.2
149.13226	1.3
151.07542	7.9
151.11188	1.3
152.04692	0.8
153.09099	4.0
155.10664	2.3
157.10149	2.0
158.10883	0.8
158.99634	1.0
159.08031	2.1
159.11707	3.0
161.09613	0.8
161.13310	1.8
163.03903	1.3
163.07541	0.9
163.11209	5.6
165.06979	1.2
165.09154	1.2
167.10670	1.6
169.10173	0.7
171.10214	1.7
171.11639	0.9
173.09741	3.2
173.13232	3.8
174.10451	0.9
174.99254	5.7
175.11212	3.1
177.00768	1.1
177.05473	1.8
177.09082	5.4
177.16399	0.8
181.12228	1.6
187.11172	1.5
187.14815	4.2
189.07031	0.9
189.12709	1.5
190.07764	3.3
190.98590	3.4
191.06955	1.6
191.08559	15.1
191.10603	1.8
191.14378	5.1
193.12230	3.2
195.10091	1.4
197.13225	2.2
205.05020	4.6
205.08479	1.2
205.12239	2.5
205.15883	2.9
207.13849	1.1
208.08813	1.7
209.15604	1.0
215.10852	0.8
215.14275	6.5
219.08051	11.7
220.08801	1.5
221.15378	1.7
233.07898	1.0
233.11703	1.9
233.15369	28.4
236.08360	1.7
251.10725	17.1
251.16438	57.7
257.42404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03947	1.9
55.01878	1.0
55.05519	4.4
56.96576	1.9
57.03442	1.8
57.07076	5.4
59.05008	4.7
67.05505	9.6
69.03421	4.1
69.07065	4.5
69.76069	4.6
70.06613	1.0
71.04997	66.0
77.76693	0.7
79.05491	7.2
81.03413	1.8
81.07059	12.8
83.04984	12.6
83.08629	3.8
84.08157	1.8
85.02924	1.1
85.06558	2.7
91.05485	5.9
93.07043	8.4
95.04969	12.2
95.08617	7.5
97.02882	1.1
97.06532	9.9
98.21467	1.4
98.98471	100.0
99.04470	2.1
103.05490	0.9
105.03398	1.0
105.07041	7.5
107.04965	1.6
107.08591	10.0
109.06512	3.5
109.10153	7.2
111.04464	1.6
111.08064	2.3
113.06011	2.5
116.98569	0.8
116.99478	1.4
117.07027	3.5
119.08569	7.2
121.06503	2.9
121.10149	17.2
123.08092	6.6
123.11691	5.3
125.06004	38.9
125.09627	1.8
129.07011	1.0
131.08577	5.7
133.06555	1.3
133.10146	5.3
135.08054	3.2
135.11697	3.1
136.01669	0.7
137.05991	1.3
137.09612	2.6
139.11174	1.4
140.01091	0.8
143.08565	1.3
145.10114	6.9
147.08054	2.9
147.11681	5.6
149.09613	8.7
149.13306	1.3
149.31203	0.7
151.07550	9.1
151.11209	3.1
152.04671	1.0
153.09174	1.1
155.10649	1.2
157.10127	1.1
159.08118	1.7
159.11696	3.9
163.11185	46.5
165.09161	2.0
165.12822	1.3
167.10631	1.4
173.01178	0.9
173.13278	3.2
174.99243	5.5
175.11197	2.8
177.09114	5.7
177.12788	1.4
181.12250	21.5
187.14815	2.7
189.12752	3.8
191.06982	1.3
191.10738	1.3
191.14354	2.0
193.12238	2.5
195.10161	4.4
197.13278	1.0
205.12276	0.9
205.15906	1.4
207.13919	1.6
209.15370	1.4
215.14285	3.0
215.17912	0.8
230.09944	1.0
233.11824	1.6
233.15392	14.7
244.99640	1.2
251.12790	3.7
251.16423	90.5
254.57767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03934	2.4
55.01860	2.0
55.05520	9.0
56.78022	1.1
57.03437	1.4
57.07081	8.3
58.08027	1.1
59.04999	7.2
60.97815	1.1
64.41742	1.3
65.03949	1.8
67.05510	13.7
69.03428	8.9
69.07079	9.5
71.01344	1.8
71.04997	61.2
71.33765	1.3
77.76759	1.2
79.05492	12.6
81.03413	4.4
81.07060	19.8
83.04985	12.5
83.08609	5.8
85.02899	2.7
85.06542	8.7
91.05482	13.3
93.07049	15.3
95.04962	16.3
95.08614	18.7
97.06548	13.5
98.98472	100.0
99.04437	2.4
105.07044	17.3
107.04932	5.8
107.08595	23.9
109.06512	9.1
109.10162	17.7
111.04449	2.2
111.08131	6.8
113.06003	7.8
115.26627	1.3
117.07027	5.3
119.08591	28.4
121.06509	8.6
121.10141	29.1
122.07305	2.0
123.08088	23.2
123.11691	5.7
125.06008	24.8
125.09605	2.4
129.06956	2.3
131.08585	13.8
133.06450	2.3
133.10136	12.1
134.58275	1.2
135.08040	9.6
135.11690	9.5
135.33052	1.4
136.08885	1.2
137.05995	2.6
137.09624	34.7
137.13222	2.4
139.07550	2.6
139.11165	2.3
143.08559	3.2
145.10124	22.1
147.08057	48.1
147.11700	12.0
149.09634	13.9
149.13144	1.5
151.07538	25.2
151.11191	3.3
151.14825	3.5
153.09103	2.7
155.10683	4.9
157.10074	3.1
159.08037	3.0
159.11703	3.4
160.08858	1.8
161.09628	1.9
161.13345	1.7
163.07555	2.3
163.11176	53.0
163.14859	1.9
165.09154	3.1
167.10770	2.1
171.11703	2.5
173.09621	5.2
173.13249	8.4
174.99237	5.0
175.11201	12.9
177.09142	3.4
177.12688	2.3
179.14372	12.5
179.84947	1.4
181.12239	16.8
187.11232	2.3
187.14853	6.6
189.12741	5.0
191.10756	1.7
191.14297	9.4
193.12244	4.6
195.10144	6.2
197.13379	1.7
205.15916	5.7
207.13774	11.4
209.15343	5.2
210.67197	1.7
215.14297	10.4
223.16882	1.7
233.11818	2.8
233.15372	49.9
236.53754	1.1
251.12637	15.3
251.16429	99.3
267.86768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1646
Annotation	Deodardione
Peak:m/z	Relative Intensity
51.77829	0.2
53.03963	0.4
54.52509	0.2
55.01874	0.3
55.05514	5.4
57.07104	0.5
58.16764	0.2
59.04998	0.9
67.05499	1.8
69.03424	1.2
69.07072	8.5
71.04980	0.4
71.18063	0.3
71.18391	0.4
79.05069	0.4
79.05502	5.1
81.03410	0.2
81.07059	4.5
81.59525	0.3
83.04988	9.6
83.08631	0.6
85.06561	0.4
91.05474	3.1
93.07052	22.7
95.04961	1.4
95.08614	4.3
97.06537	2.1
97.10202	0.5
98.98476	20.4
103.05492	0.2
105.03396	0.4
105.07042	5.8
106.07822	0.4
107.04927	0.4
107.08594	4.2
109.06530	2.7
109.10176	1.4
111.04449	11.5
111.08088	0.4
111.11736	3.1
113.06007	0.3
116.99538	0.3
117.07040	0.5
119.08601	2.2
121.06525	1.3
121.10153	37.7
121.76354	0.3
123.04475	0.3
123.08071	1.9
123.11708	0.7
125.06034	0.6
125.09637	1.0
130.25140	0.2
131.08572	1.4
133.06549	0.6
133.07622	0.6
133.10135	1.2
135.08069	1.0
135.11687	0.5
137.06013	0.3
137.09616	0.7
139.07564	0.3
139.11205	2.0
140.53816	0.2
145.10121	1.8
147.04326	0.3
147.08067	0.7
147.11688	0.7
149.09630	14.6
151.07576	0.8
153.09091	0.3
156.09421	0.3
157.10146	0.4
158.07193	0.3
159.08110	0.4
159.11711	0.6
161.09612	0.3
163.07527	0.3
163.11201	0.8
167.10687	100.0
173.09627	0.5
173.13284	0.7
174.99243	1.0
175.11192	0.7
177.05400	0.3
177.09132	0.6
181.12074	0.2
187.11200	0.5
187.14854	0.6
189.12845	0.5
191.10709	0.4
191.14304	0.5
193.12297	0.6
205.12254	0.3
205.15932	0.4
209.15268	0.3
215.14304	0.9
233.11771	0.7
233.15353	2.2
251.10658	0.3
251.12880	1.0
251.16434	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	251.164
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
51.87669	0.5
53.03942	1.5
54.75635	0.5
54.83213	0.5
55.01871	1.4
55.05502	1.6
57.07074	7.1
59.05002	4.2
67.05506	4.8
69.03428	2.3
69.07063	2.6
69.76595	3.1
71.04992	84.0
77.03927	0.7
79.05491	7.2
81.03412	1.7
81.07047	9.2
83.04981	15.4
83.08608	1.4
85.06541	2.0
91.05477	5.4
93.07034	6.5
95.04965	9.3
95.08611	5.4
97.06524	10.1
98.98465	65.6
99.04452	1.3
105.07023	8.4
107.04946	2.4
107.08600	7.9
108.05750	0.7
109.02846	0.6
109.06494	4.2
109.10149	3.7
111.04450	0.7
113.06021	1.3
116.99488	1.6
117.07033	1.9
119.08576	4.9
121.06509	2.4
121.10136	8.2
123.08063	8.2
123.11687	0.6
125.05986	42.0
125.09589	1.4
129.07013	0.6
130.07742	1.1
131.08589	3.7
133.06511	1.2
133.10112	2.9
135.08035	2.1
135.11731	3.1
137.09604	1.4
143.08531	0.8
145.06395	0.7
145.10123	9.2
147.08087	1.4
147.11694	1.4
148.08806	0.6
149.09641	1.8
149.13231	1.1
151.07547	15.1
151.11150	0.7
157.10156	0.8
159.08052	1.1
159.11679	1.8
161.09555	0.9
161.13269	0.7
163.11179	59.5
165.09113	2.1
167.10612	1.2
171.11667	1.3
173.09648	0.8
173.13258	2.3
174.99222	4.0
175.11208	1.1
177.09128	2.3
177.12662	1.0
181.12225	26.2
187.14801	1.4
189.12675	2.3
191.10663	0.8
191.14331	1.8
193.08557	0.8
193.12207	0.8
195.10158	7.3
205.12392	0.6
205.15883	0.8
207.13771	0.9
209.15334	0.9
215.14204	0.8
219.13744	1.3
230.21182	0.6
233.11720	0.8
233.15334	9.4
251.16408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Herbolide G
Peak:m/z	Relative Intensity
52.83686	0.3
53.03943	0.6
55.01875	0.6
55.05263	0.3
55.05517	1.3
57.03430	0.6
57.07100	0.4
57.48224	0.3
59.04997	0.8
63.34836	0.3
65.03934	0.6
65.27010	0.3
67.05509	18.3
69.03438	0.8
69.07075	8.0
70.20402	0.7
70.21984	0.4
71.05000	6.6
79.05498	3.0
81.07058	6.8
83.05001	0.8
83.08608	0.7
85.06557	1.7
91.05496	2.1
93.07038	2.2
95.04976	13.6
95.08617	3.2
97.06532	2.3
98.98473	40.6
99.04446	0.5
105.07057	2.4
107.04978	0.6
107.08601	3.0
109.06516	1.3
109.10163	100.0
111.04444	0.4
111.08101	0.5
116.99516	0.6
117.07034	0.7
119.08555	1.7
121.06512	1.1
121.10123	1.7
123.08082	1.3
123.11693	0.4
125.06004	5.3
126.49492	0.3
127.11204	11.3
127.12149	0.6
131.08572	1.2
133.10143	1.7
135.04373	0.4
135.08047	1.3
135.11697	0.7
137.05899	0.5
137.09607	1.3
143.08508	0.3
145.10150	1.5
147.11703	0.9
149.09621	1.0
151.07561	0.7
151.11220	0.6
153.09122	0.4
157.10153	0.6
159.11707	1.0
161.17191	0.3
163.03967	0.5
163.11205	1.9
163.14853	0.4
165.12830	0.4
167.10677	1.0
171.11681	0.5
173.11839	0.6
173.13264	1.8
174.99217	2.4
175.11182	1.2
177.09087	0.7
181.12294	0.7
187.14862	0.9
191.14290	1.7
205.15855	0.5
207.13759	0.4
209.15462	0.4
215.14297	0.9
219.13885	0.3
233.11685	1.0
233.15401	2.5
251.16412	15.4
251.20303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03952	1.7
55.01870	1.3
55.05516	2.0
56.00961	0.5
57.03453	1.1
57.07084	6.3
57.28090	0.4
59.05008	4.7
67.05505	3.5
69.03433	2.8
69.07082	2.4
70.10785	1.4
71.04998	92.0
77.03917	0.5
79.05500	5.6
79.63956	0.4
81.03419	1.9
81.07065	7.1
83.04488	1.0
83.04987	15.6
83.08611	1.0
85.02956	0.5
85.06555	1.9
91.05473	2.9
93.07044	7.1
95.04974	9.4
95.08622	5.6
97.02874	0.6
97.06535	11.2
98.98473	49.9
99.04471	1.3
101.06013	0.6
105.03396	0.7
105.07034	6.1
107.04975	1.4
107.08607	8.8
109.06549	2.6
109.10165	2.2
111.08082	1.1
113.06004	1.2
115.05457	0.5
116.99493	1.1
117.07030	2.3
119.08592	5.0
121.06502	2.1
121.10158	6.2
123.08076	6.1
123.11678	0.7
125.06001	45.5
125.09616	0.6
130.07797	1.3
131.05045	0.5
131.08565	3.9
133.06490	1.3
133.10115	2.3
135.08052	2.0
135.11688	3.7
137.09645	1.0
139.07494	0.5
139.11183	0.5
141.05522	0.4
141.09164	0.5
143.08600	0.6
145.10146	8.4
147.08063	1.5
147.11754	1.5
149.05981	0.5
149.09619	3.0
149.13217	0.5
151.07550	12.8
153.09230	0.6
157.10072	0.7
159.08066	1.2
159.11725	1.6
161.09557	0.8
161.13379	0.5
163.11192	58.8
165.09145	2.6
167.10701	1.6
171.11655	0.9
173.13275	2.0
174.99254	2.7
175.11282	0.5
177.09094	3.1
181.12245	30.2
187.14879	1.4
189.12764	2.3
191.10591	0.6
191.14268	0.9
193.12329	0.8
195.10176	9.2
195.11879	0.7
197.13220	0.6
203.10689	0.4
205.15845	0.6
207.13777	0.8
215.14301	1.4
219.13773	0.7
233.11749	0.6
233.15375	7.3
251.16440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90106	0.2
55.01884	0.3
55.05536	0.6
57.03439	0.4
59.68007	0.3
61.02919	0.8
65.09980	0.3
69.03437	2.7
69.66279	1.7
70.06590	2.2
71.04999	0.5
81.03426	0.5
85.02911	13.7
88.07636	100.0
97.02902	2.2
98.98481	1.1
99.04480	0.6
108.58025	0.3
109.02903	1.5
127.03913	2.8
145.04991	1.8
216.41197	0.3
222.86185	0.2
250.12956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03937	3.0
55.05511	11.3
57.07065	4.1
57.22091	1.6
59.04994	5.0
67.05502	10.5
69.03414	3.9
69.07070	20.7
71.52424	1.9
75.04449	1.8
79.05494	9.8
81.03423	1.9
81.07055	19.9
83.04969	6.3
83.08624	3.3
85.06523	5.1
87.04471	1.9
87.30702	1.2
91.05477	11.0
91.70140	1.3
93.07040	16.9
93.23518	1.4
95.04972	6.2
95.08605	13.4
97.06530	4.0
101.06013	3.8
105.07037	18.4
107.08590	16.6
109.06527	5.0
109.10174	12.2
111.08031	1.5
115.07624	2.2
117.07023	3.8
119.08580	32.7
121.06503	5.6
121.10133	13.9
123.08048	3.6
123.11713	4.6
125.06011	4.3
125.09613	1.6
128.06158	1.8
129.06927	1.8
131.08583	8.2
133.10133	22.5
135.08043	2.7
135.11732	7.9
137.09596	1.6
137.13185	1.8
139.07559	3.0
143.08578	5.9
145.09109	1.6
145.10114	9.9
147.08052	3.5
147.11696	10.4
149.09636	6.5
149.13252	2.8
151.07504	2.4
151.11218	1.6
157.10144	11.0
158.11052	1.5
159.11684	3.6
161.09624	9.5
161.13274	5.5
163.11212	2.6
167.10695	4.4
171.11687	5.6
173.13278	8.5
175.11255	8.3
175.14815	14.6
179.10696	3.6
180.11490	1.9
185.13258	2.5
187.14833	3.8
189.12689	2.5
189.16344	8.7
191.14330	2.5
193.08585	1.7
193.12279	10.1
203.14389	1.5
203.17963	4.1
207.11893	1.6
207.13834	6.8
213.12685	2.3
213.16412	8.5
217.15883	2.2
219.11780	1.7
231.13805	3.6
231.17451	17.6
249.09058	1.9
249.14455	9.1
249.18512	100.0
258.56693	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Hypnophilin
Peak:m/z	Relative Intensity
52.47772	0.8
53.03928	1.2
55.05511	8.9
57.03442	1.2
57.07064	1.9
59.04993	2.8
65.03941	0.8
67.05509	6.1
69.03419	3.4
69.07075	11.3
70.85027	2.3
71.04993	1.1
79.05495	7.6
81.06606	0.8
81.07066	12.4
83.04978	1.5
83.08622	8.1
85.02901	4.5
85.06532	3.1
91.05483	8.2
93.07037	9.8
93.74267	0.7
95.04969	3.9
95.08607	13.1
97.02887	1.0
97.06517	2.3
98.20789	1.0
100.91111	0.9
105.07038	8.9
107.04931	1.4
107.08618	5.8
109.06517	5.7
109.10138	2.6
111.04465	4.0
111.08093	2.7
113.02378	9.8
115.42310	0.7
117.07031	1.7
119.04926	2.9
119.07822	1.0
119.08597	10.1
121.06503	2.4
121.10148	21.2
123.04418	3.4
123.08070	11.6
125.09612	1.6
128.06195	1.6
129.06992	2.3
131.08560	3.1
133.06543	4.6
133.10127	6.3
134.07281	2.0
135.08017	2.5
135.11688	1.7
137.05997	5.8
137.09596	1.5
137.13275	6.1
139.11160	0.8
142.07753	1.2
143.08585	4.4
145.10159	5.1
147.08043	6.0
147.11652	3.2
149.05983	2.8
149.09618	2.0
151.07568	7.4
151.11240	1.4
156.09312	1.4
157.10107	5.2
159.11703	2.3
161.05984	10.5
161.09648	5.4
161.13275	2.4
162.06786	6.4
163.07494	2.6
165.09109	0.8
165.12741	1.1
170.10875	2.0
171.11673	1.9
173.09653	1.3
173.13278	1.7
174.06737	0.9
175.07559	14.3
175.11151	2.5
175.14752	2.0
179.07040	43.0
185.13330	4.3
187.11250	1.0
189.09164	3.9
189.10645	0.8
189.12732	5.3
190.13596	0.8
193.08606	6.2
193.12204	1.3
195.11749	2.7
199.14757	1.8
203.10698	0.8
203.14362	4.1
213.12735	7.8
217.15860	1.6
224.46089	0.8
231.13820	81.5
231.17525	2.7
231.59682	0.8
249.09230	2.2
249.14857	100.0
249.18454	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	249.1487
Annotation	[4]-Shogaol
Peak:m/z	Relative Intensity
52.98171	0.4
53.03931	0.5
55.01867	0.9
55.05516	1.9
57.07066	1.3
58.51125	0.3
59.04984	1.1
65.03922	0.4
67.05502	3.4
69.03436	2.4
69.07060	1.0
70.06583	0.3
70.49464	0.6
70.49819	0.7
71.04987	0.5
79.05489	3.6
80.67869	0.4
81.03395	0.8
81.07063	4.8
83.04961	1.1
83.08595	0.5
85.02892	0.6
85.06537	0.6
91.05481	4.4
93.07045	3.7
95.04972	5.3
95.08624	2.7
96.05727	0.4
97.02898	0.4
97.06506	0.5
98.21370	0.4
103.05492	0.4
105.03384	0.6
105.07032	8.8
107.04933	0.9
107.08591	10.2
108.09363	0.4
109.06512	4.8
109.10136	0.7
111.04442	6.0
111.08032	0.4
115.05457	0.4
117.07024	1.9
118.07770	0.3
119.04901	0.5
119.08584	7.5
121.06495	1.4
121.10146	10.8
123.03588	0.7
123.04433	9.8
123.08073	3.2
125.05956	1.7
128.06226	1.6
129.07018	2.1
130.07756	0.7
131.08572	2.3
133.06531	1.6
133.10132	4.0
135.08043	1.2
135.11700	0.5
137.05978	41.0
137.09544	0.8
138.06697	1.0
141.07001	0.7
142.07756	1.3
143.08574	3.9
144.09363	1.1
145.06400	0.8
145.10138	2.7
146.07243	0.8
147.08035	3.2
147.11702	6.3
149.05978	2.0
149.09563	0.8
151.07547	29.9
152.08339	1.8
155.08592	1.6
156.09346	1.4
157.06415	0.4
157.10139	3.2
158.07376	0.4
159.08052	1.0
159.11703	3.2
160.08867	0.3
161.09602	2.4
161.13275	1.3
162.10368	0.4
163.07501	0.9
165.09126	3.4
170.10910	3.4
171.08092	0.8
171.11693	1.7
172.08813	0.7
173.09612	1.4
173.13211	0.4
174.06815	0.4
174.10442	0.7
174.14064	0.6
175.07565	3.5
175.11221	1.0
175.14787	0.9
183.08067	0.6
185.09637	0.4
185.13246	3.8
187.07579	0.4
187.11185	1.2
188.08350	0.8
188.11943	1.1
189.09108	17.1
189.12694	2.0
191.10674	0.8
192.45123	0.4
193.08662	2.2
195.11714	0.4
198.10341	0.9
201.09117	2.5
202.09909	1.7
202.13504	0.5
203.10637	1.3
203.14406	1.5
205.12254	4.7
207.13908	0.5
213.12793	2.1
215.10698	0.4
216.11482	2.6
231.13802	33.5
249.14861	100.0
250.15146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	4-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one
Peak:m/z	Relative Intensity
55.01860	0.9
55.05500	2.8
57.07058	1.1
57.18589	0.7
59.05014	2.7
67.05512	3.2
67.13359	0.5
69.03421	1.1
69.07069	7.8
71.01354	10.6
71.52477	0.8
72.91864	0.5
75.60075	0.6
79.05494	3.8
81.03399	0.7
81.07049	5.5
83.04998	1.0
83.08625	1.5
85.02881	0.9
85.06535	2.1
86.06053	1.9
87.06392	0.7
91.05486	3.6
93.07050	6.6
95.04967	4.3
95.08620	4.8
97.06560	0.9
99.04452	0.8
105.03371	0.7
105.07041	5.3
107.08591	3.2
109.06509	2.9
109.10144	2.4
111.04382	0.9
111.08088	1.7
112.68289	0.5
113.02366	11.1
115.05440	0.9
117.07002	0.8
119.04956	0.9
119.07817	0.6
119.08594	6.7
121.06488	0.8
121.10143	13.5
122.10466	0.7
123.04425	1.9
123.08080	2.7
123.11716	6.1
125.05948	0.8
127.03924	0.7
129.05457	1.0
129.07025	0.6
131.08548	2.0
133.06490	3.6
133.10109	2.6
135.08061	0.7
135.11732	1.3
137.05980	4.2
137.09608	1.6
137.13254	0.7
139.07530	1.0
143.08542	1.6
145.10138	2.8
147.08057	2.7
147.11688	11.4
149.09642	1.1
151.07555	4.6
151.11137	0.8
153.05467	2.3
156.09407	0.8
157.10110	1.6
159.11702	1.0
161.05971	4.1
161.09641	1.7
161.13313	5.1
163.07567	0.9
163.11192	1.0
165.12733	0.9
167.06966	0.7
171.11684	2.6
173.09641	1.1
175.07529	1.6
175.14743	0.6
179.07036	15.1
185.13210	1.6
189.09180	0.8
189.12747	6.4
191.10632	1.0
193.08549	3.4
201.44331	0.5
203.14391	1.2
207.13812	20.7
207.15768	1.2
213.12659	1.1
231.13780	5.5
231.17255	0.8
234.14198	0.6
249.14856	100.0
249.18761	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	249.1099
Annotation	Thr Glu
Peak:m/z	Relative Intensity
53.21819	0.3
55.01860	0.3
55.05499	0.7
57.07067	0.3
57.54699	0.2
59.04992	0.4
67.05503	2.4
69.03412	0.9
69.07064	0.5
70.77772	0.5
73.51130	0.3
79.05492	1.5
81.03400	0.2
81.07042	1.0
83.08609	0.8
85.02937	0.6
91.05486	1.3
93.07052	2.0
95.04974	2.8
95.08588	1.0
97.06562	0.4
99.04475	0.3
105.03411	0.3
105.07043	1.4
107.04960	0.3
107.08614	1.9
109.06481	0.5
109.10155	0.4
111.04461	0.3
111.08061	0.4
117.07064	0.3
119.04952	0.4
119.08586	1.8
121.06536	0.4
121.10164	1.7
123.04433	1.1
123.08057	0.5
127.03903	0.3
129.07013	0.3
131.08548	1.0
133.06458	0.6
133.10144	1.1
135.08058	0.5
135.11661	0.4
137.06000	0.3
137.09589	0.8
143.08560	0.5
145.10127	0.9
147.08067	0.4
147.11671	0.8
149.05951	0.3
149.09625	0.3
153.09143	0.3
157.10104	0.3
159.11714	0.5
161.09593	0.6
161.13246	0.9
163.11171	0.3
165.09082	0.3
172.12541	0.3
173.09514	0.3
175.07626	0.5
175.14751	0.3
185.13289	0.7
185.53200	0.2
189.09094	0.3
189.12746	0.8
193.08554	0.4
203.08470	0.3
203.14319	0.9
207.09898	0.3
207.13773	1.2
213.12802	0.6
213.16470	0.4
231.10306	0.3
231.13895	1.4
249.10995	100.0
249.14594	4.0
249.18097	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40041	0.4
55.01870	0.5
55.05510	1.8
56.56680	0.4
56.96590	0.4
57.03434	1.5
59.01382	0.5
59.05007	1.4
67.04902	0.4
67.05514	0.8
68.70698	0.5
69.07071	0.9
70.02953	2.1
71.08623	2.7
72.04519	8.3
75.04475	1.3
79.05504	2.0
81.07067	12.7
83.08623	1.3
84.08130	1.0
85.02895	0.5
85.16606	0.5
85.47814	0.4
87.04472	4.0
88.03996	12.7
90.05548	2.1
91.05502	0.5
93.07056	0.7
95.08620	0.6
98.02412	3.2
99.08098	5.4
100.11263	0.8
104.07108	100.0
105.07050	0.5
109.06522	11.3
109.10102	0.5
110.09715	0.7
116.03465	1.4
117.09131	1.2
120.08073	0.7
120.85933	0.5
125.14740	0.4
127.07557	1.7
130.05019	6.5
138.09146	6.8
145.08594	1.5
156.10208	1.6
171.10710	0.5
175.08627	0.4
180.10185	0.8
182.04436	0.5
184.13365	1.0
184.43173	0.4
188.12839	0.7
195.06750	0.5
198.11279	4.9
202.14546	0.5
212.12840	7.1
213.11263	0.7
216.12323	4.0
230.11983	0.6
230.13881	11.5
236.21379	0.4
248.14946	15.6
249.11217	0.8
255.08528	0.4
267.68607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54047	7.1
71.02274	14.7
88.04008	12.8
94.93040	26.5
95.47395	6.4
111.71693	6.7
118.08688	23.8
145.54855	6.8
188.89732	13.5
249.03725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0321
Annotation	Pyridoxal 5'-phosphate
Peak:m/z	Relative Intensity
53.03948	1.5
54.95436	0.4
65.03944	1.5
67.05510	14.0
71.50951	0.4
71.51328	0.4
79.05500	1.2
81.03424	0.7
84.04512	0.5
84.08167	0.5
85.02902	1.3
86.09686	1.4
87.10047	1.2
93.05770	0.6
94.06573	27.8
95.04978	0.9
96.04478	0.7
100.92452	0.4
104.05039	0.4
106.06558	6.4
107.94983	0.4
110.06070	0.4
120.08124	0.9
122.06033	27.1
127.83080	0.4
129.10239	0.5
138.05478	0.4
140.07076	1.2
150.05510	100.0
151.05858	0.6
160.39453	0.4
168.06580	5.9
220.03691	1.2
230.02162	1.0
248.03209	44.0
248.08434	1.2
248.14978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	(-)-Methyl asperageigerate
Peak:m/z	Relative Intensity
53.03960	0.4
55.01859	1.0
55.05518	3.3
55.12198	0.3
57.03441	0.4
57.07079	0.6
57.09498	0.3
59.04993	0.5
67.05511	1.6
69.03421	1.2
69.07073	8.3
71.04982	0.6
71.52685	0.4
79.05494	1.7
81.07066	2.6
82.30996	0.3
83.04549	0.4
83.04990	3.9
83.08624	2.9
85.06529	0.5
91.05490	2.1
91.85759	0.3
93.07052	4.8
95.04385	0.5
95.04976	8.3
95.08617	3.8
97.06527	0.7
105.07043	4.2
107.04996	0.5
107.08602	5.2
109.06527	3.5
109.10168	2.5
110.16805	0.3
111.04453	2.5
111.08073	0.7
117.07008	1.5
119.08595	3.3
121.06509	3.3
121.10147	4.1
123.08051	1.1
123.11690	0.6
129.06993	0.5
131.08582	3.3
133.09283	0.3
133.10118	2.0
135.08067	3.6
135.11705	3.3
137.09610	1.2
143.08565	1.0
145.06483	0.5
145.10133	5.5
146.10933	0.3
147.08005	0.9
147.11684	1.9
149.09641	4.5
149.13324	0.5
151.11168	0.7
155.08481	0.3
157.10129	0.7
158.07239	0.5
158.72441	0.3
159.08080	4.1
159.11694	2.8
160.08855	0.5
161.09660	0.9
161.13261	4.3
163.07500	0.4
163.11203	2.3
163.14787	0.7
165.09117	0.4
165.12784	1.1
169.10141	0.6
170.33508	0.3
171.11659	0.7
173.09660	2.0
173.13310	0.7
175.14876	0.5
177.09116	6.7
177.12839	0.4
177.16397	1.2
178.09940	0.3
185.13297	0.8
187.11148	0.6
187.14812	3.7
189.12720	0.9
191.10687	2.8
191.14299	0.4
201.16396	1.3
203.14290	1.0
204.15137	0.4
205.15880	4.8
211.14853	0.6
219.17706	0.4
229.15889	2.1
241.49623	0.3
247.16942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	(-)-Methyl asperageigerate
Peak:m/z	Relative Intensity
53.03941	0.5
55.01862	0.9
55.05515	3.0
57.03439	0.3
59.04992	0.4
65.03916	0.2
67.05508	1.5
69.03437	1.6
69.07069	7.2
69.79244	1.2
70.16530	0.3
71.01358	0.3
71.04983	0.4
74.64317	0.2
79.05505	1.6
81.07068	3.0
83.04988	3.4
83.08627	2.6
85.06521	0.4
91.05473	2.1
93.06502	0.4
93.07055	4.8
95.04975	7.7
95.08610	2.9
96.19449	0.2
97.06518	0.7
105.07040	3.4
107.08596	4.5
108.31667	0.2
109.06523	3.2
109.10167	2.4
111.04446	3.2
111.08105	0.3
117.07034	1.4
119.08584	3.9
121.06522	3.6
121.10144	4.2
123.08074	1.1
123.11726	0.8
125.06001	0.4
126.60995	0.2
129.07034	0.5
131.08562	3.1
133.06491	0.2
133.10135	1.9
135.08051	3.3
135.11697	2.8
137.09596	1.1
143.08574	1.0
145.06509	0.3
145.10129	5.0
147.08009	0.6
147.11716	1.4
149.09630	5.1
151.07536	0.3
151.11201	0.6
156.09320	0.3
157.10156	0.3
159.08061	4.4
159.11674	2.3
160.08838	0.6
161.09613	0.9
161.13260	5.2
163.11191	2.9
163.14848	0.6
165.12737	1.1
169.10066	0.4
171.11670	0.7
173.09648	1.7
173.10950	0.4
173.13264	0.7
175.11348	0.3
175.14876	0.5
177.09120	6.9
177.16396	1.8
183.11743	0.3
185.13281	0.8
187.11137	0.4
187.14845	3.0
189.12727	1.0
191.10701	2.6
196.12460	0.5
201.16336	1.3
203.14302	1.0
204.15096	0.4
205.15907	4.5
211.15004	0.5
216.34140	0.2
229.15858	2.0
247.16940	100.0
248.17343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.98602	1.7
53.03930	5.7
54.32591	1.6
55.01862	3.9
55.05495	7.0
57.03420	2.3
57.07063	2.3
62.20285	1.6
65.03925	5.0
65.09090	1.8
67.05507	16.1
69.03437	22.2
69.07052	6.6
69.63884	9.7
71.04971	2.5
73.57838	1.6
78.78747	1.8
79.05492	11.9
81.03389	2.5
81.07063	16.2
83.04983	17.7
85.02916	3.5
85.06532	3.2
91.05482	21.4
92.85848	1.9
93.03402	4.6
93.07047	20.5
95.04977	8.7
95.08603	11.6
97.02902	9.9
97.06524	3.4
97.12093	1.8
98.97605	3.1
103.05460	4.0
105.07038	25.9
107.04933	5.7
107.08606	21.1
109.02879	26.1
109.06527	19.9
109.10158	13.3
111.04416	6.5
113.06007	2.4
115.05464	5.4
116.06211	1.8
116.88931	1.8
117.07018	15.2
118.07381	1.7
119.08584	30.1
121.02848	4.6
121.06514	26.5
121.10153	12.1
123.04407	2.4
123.08045	4.5
125.09632	4.4
127.03923	2.0
128.06158	3.7
129.06984	8.9
130.07744	5.0
131.08574	30.2
132.05722	2.2
133.06528	4.5
133.10143	20.8
135.08069	35.4
135.11685	4.0
137.05960	6.8
137.09569	6.5
141.06984	4.3
142.07755	3.9
143.08549	16.7
144.09363	11.9
145.06488	13.4
145.09245	2.2
145.10141	24.4
147.08015	5.8
147.11636	4.5
149.09616	25.5
150.10367	4.0
151.11171	5.1
153.07018	2.4
153.09077	3.1
155.08557	9.5
157.10127	9.5
158.07289	4.1
158.10899	11.9
159.08060	13.9
159.11697	33.6
160.08804	3.5
161.09621	5.2
163.03981	3.0
163.07536	19.5
163.11131	4.1
165.09048	3.4
168.09322	5.6
169.10118	4.1
170.10887	4.4
171.07974	6.6
171.11676	2.9
172.08829	14.2
173.05991	3.4
173.09621	31.9
173.11769	4.5
173.13246	46.2
175.03883	3.4
175.07509	2.2
175.14821	3.1
177.09065	3.2
183.07903	2.1
183.11699	14.2
185.13187	4.0
186.10411	26.4
187.07533	4.7
187.11195	100.0
187.14769	5.2
189.09097	4.1
189.12807	3.2
191.07031	27.5
191.10609	2.0
193.10156	3.2
196.08806	6.7
201.12762	71.3
205.12308	11.0
211.11214	11.0
214.09866	4.0
219.13838	8.8
229.12245	78.2
229.15770	3.4
247.09555	7.5
247.13272	88.4
247.16840	15.3
247.20612	6.1
266.69537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0791
Annotation	bis-(4-hydroxybenzyl)sulfide
Peak:m/z	Relative Intensity
55.05506	1.1
60.33865	0.6
69.07069	3.1
69.72234	3.0
69.72630	1.1
70.06586	0.5
72.08154	7.5
80.60121	0.5
84.04496	1.9
84.08141	0.9
85.02858	0.5
86.09711	44.3
99.16930	0.5
102.05540	0.6
122.49136	0.5
122.64435	0.5
125.50911	0.5
137.23682	0.5
148.06039	1.5
183.11264	0.6
229.03250	0.7
247.07909	100.0
247.12938	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	247.108
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
53.03929	1.0
55.05512	0.9
57.07059	1.8
65.03894	1.1
67.05499	2.0
68.99793	5.9
69.03407	2.4
69.07070	1.3
69.60667	0.8
71.04997	0.8
71.25050	1.0
72.08138	1.0
79.05482	1.9
81.03446	0.7
81.07044	2.3
85.02898	2.7
85.06543	0.8
86.09672	0.7
88.03963	2.2
91.05494	4.5
93.07035	2.1
93.56731	0.6
95.04969	1.2
95.08636	0.7
97.02885	0.9
98.97556	1.0
102.96922	0.9
105.07021	2.7
107.08600	1.7
109.02903	1.6
109.06505	1.5
109.10151	1.5
111.00823	0.8
111.04451	1.1
115.05458	5.0
117.03365	1.3
117.05730	1.2
117.07014	3.8
118.06542	14.3
119.04951	0.7
119.08627	1.5
120.08121	0.7
121.02813	1.1
121.06513	1.7
121.10172	0.8
123.04399	0.8
125.09606	2.2
127.03918	1.5
128.06258	0.8
129.07008	1.3
130.04987	1.7
130.06531	43.4
131.04909	1.1
131.08562	2.4
132.08092	32.7
133.10121	1.1
135.04407	2.0
135.08078	1.3
137.06012	1.3
142.06523	8.6
143.04987	1.3
143.07378	1.7
143.08501	1.2
144.08089	12.5
144.09219	1.2
145.02831	1.7
145.06477	2.5
145.10130	2.2
146.06009	53.1
147.08037	1.2
147.11690	1.1
149.09549	0.7
151.07545	0.8
155.04997	3.2
155.06021	1.1
156.08015	1.0
158.08392	1.8
159.09178	100.0
160.07591	6.2
161.05983	1.8
161.09579	0.8
163.03918	13.7
163.07512	0.9
169.07632	4.1
169.10216	1.1
170.06012	19.1
173.05989	2.6
173.09618	1.6
173.13252	1.6
174.09200	0.8
175.03911	1.1
177.05418	1.4
183.04405	2.7
183.09201	2.7
183.11726	1.1
184.07585	3.5
185.13254	0.9
187.03885	1.7
187.08694	11.6
187.11208	2.0
187.14853	0.9
188.07069	84.8
189.09219	0.9
191.07034	0.9
201.05501	5.1
201.10246	61.9
205.09749	17.6
211.03824	0.9
211.08780	1.7
211.14743	0.9
219.06474	0.9
219.13919	0.8
229.04990	1.1
229.09734	8.0
229.12267	2.5
230.08086	1.1
247.05948	18.1
247.10722	6.1
247.13373	5.5
247.16864	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	247.1291
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.05515	7.0
56.05035	3.2
56.96582	0.4
57.05819	0.6
59.05003	1.8
70.62543	1.3
72.08159	100.0
78.72492	0.5
83.04974	0.4
84.04508	64.0
84.08130	0.5
85.02917	1.7
86.09721	1.5
98.97583	0.5
98.98453	0.6
100.04403	0.4
101.06013	3.6
102.05551	1.9
118.08663	60.8
130.05013	12.3
137.10753	0.5
138.09175	1.0
144.06590	0.5
156.10220	6.1
163.03932	0.5
184.09703	19.6
200.97469	0.4
201.12512	0.7
229.11920	1.7
230.10245	13.5
247.01949	0.6
247.07755	1.5
247.12904	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	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
55.93525	1.5
57.06571	0.6
59.94398	0.6
60.08157	1.2
69.95077	1.5
69.95465	2.1
70.06594	0.9
71.92989	1.0
72.08161	11.4
72.93784	2.5
84.04504	2.4
84.08150	0.9
85.02898	0.8
89.94051	1.0
90.94822	1.8
91.05526	0.7
97.02885	0.7
98.98483	4.6
103.02461	7.3
103.03962	0.8
105.93522	0.7
107.95115	0.9
109.02886	0.8
117.19917	0.6
119.01971	1.2
121.03502	3.8
127.03999	0.7
127.57700	0.6
128.03442	1.2
129.00337	1.1
130.05000	1.6
131.01886	1.0
132.95848	1.4
138.49626	0.7
147.01361	4.3
148.06015	2.5
149.96123	0.8
151.97719	1.2
163.44487	0.7
167.03188	0.9
173.02063	1.4
175.00830	1.4
175.97652	1.0
177.95602	4.4
188.07181	1.0
191.97209	0.9
193.01924	3.3
193.98752	1.2
201.12646	1.0
201.95638	0.9
204.92831	0.7
219.96732	2.0
229.03198	21.3
229.08344	1.1
229.12154	0.8
247.04271	100.0
247.07919	58.2
247.12848	4.5
247.16690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74685	0.7
55.05499	0.9
61.19489	0.6
69.95332	3.3
72.08163	4.3
72.93790	1.0
80.59927	0.8
82.29058	0.7
84.04501	1.6
85.02849	0.9
89.40895	0.7
98.20869	1.6
98.98469	2.6
103.02441	1.0
105.07024	1.0
124.26606	0.9
128.03432	2.9
129.19817	0.9
149.58795	0.8
167.03282	0.9
187.02185	0.9
229.03206	21.4
247.04271	100.0
247.07864	9.0
247.13042	2.7
247.18629	0.9
262.56711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43584	0.6
55.60159	0.6
58.06601	1.4
60.08147	1.8
62.98246	1.0
69.03449	0.6
69.07043	0.5
69.82067	2.7
70.06601	1.0
71.04972	0.6
72.08143	2.0
81.03438	0.8
82.09139	0.6
84.04500	0.8
84.08148	1.5
85.02889	1.2
86.09702	4.0
86.51575	0.6
94.92998	1.5
96.38533	0.5
97.02924	0.5
98.20842	0.9
98.98477	4.1
100.07629	1.4
101.07980	0.6
103.02432	1.5
103.03976	0.6
104.10751	25.0
114.19322	0.7
117.16897	0.6
118.06519	0.7
118.08667	3.9
118.10490	0.7
121.03535	0.8
128.03467	0.5
130.06540	1.8
130.09770	1.2
131.82100	0.7
132.08087	0.8
144.08093	0.7
146.05984	2.1
158.92218	0.8
159.09204	3.9
160.98837	0.7
167.03107	0.7
170.06049	0.8
173.02078	1.1
173.09639	0.6
186.10553	0.7
188.07053	3.0
188.89619	1.1
192.59784	0.6
197.00676	0.6
201.10374	3.0
229.03207	7.0
246.93901	1.1
247.04250	37.7
247.07898	100.0
247.13173	2.4
247.18463	2.4
267.66895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05514	0.7
55.93513	0.2
56.96574	0.2
67.05502	0.5
69.03436	0.5
69.07063	0.3
70.06250	0.2
70.06597	1.8
70.75666	0.4
71.04995	0.3
72.08170	0.4
72.93793	0.6
76.93509	0.2
79.05506	0.5
81.03425	0.2
81.07072	0.6
83.04987	0.7
84.04507	0.2
84.08137	1.4
85.02895	0.4
85.06551	0.3
86.09710	100.0
87.04450	0.2
87.10036	0.2
88.04018	0.2
90.94834	0.7
91.05497	0.5
93.07060	0.6
95.04948	0.2
95.08611	0.4
97.02908	0.1
97.06556	0.2
98.97588	0.2
99.00828	0.1
99.04451	0.2
105.07011	0.4
107.04940	0.2
107.08611	0.5
108.05736	0.4
109.06522	0.2
109.10167	0.7
113.03475	0.2
115.03901	0.2
119.08574	0.4
120.08099	1.0
121.06508	0.4
121.10149	0.8
123.04474	0.2
123.08157	0.2
127.03936	0.2
129.10229	0.9
131.08609	0.3
132.10211	3.8
142.03230	0.3
144.08058	0.2
145.10132	0.5
149.96112	0.9
161.05986	0.2
163.11227	0.3
167.10736	0.2
167.97166	0.6
171.08034	0.2
172.97708	0.7
173.09621	0.4
181.12180	0.4
190.98808	0.2
191.10641	0.6
199.18074	1.5
201.04903	0.2
209.11748	0.2
210.15994	0.2
227.12794	0.3
227.17442	0.3
245.04393	0.3
245.08131	0.2
245.09348	0.1
245.11430	0.3
245.13730	1.0
245.18622	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	246.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00673	0.2
57.07078	5.9
58.06588	0.4
62.06085	0.3
66.75555	0.3
70.06594	9.8
71.08636	1.8
71.37643	0.3
85.10181	1.2
86.06039	0.3
88.07634	14.9
102.09193	4.4
106.08675	8.2
156.84338	0.2
184.20612	0.8
184.90802	0.3
196.61154	0.2
202.21634	1.0
228.23236	6.6
228.25423	0.5
246.24289	100.0
247.24521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.39558	0.3
53.03945	0.5
55.01873	0.7
55.05505	1.3
56.96566	0.5
58.06598	0.6
63.67761	0.3
67.05511	1.2
69.03427	0.6
69.07075	9.8
70.06596	0.8
71.04995	1.1
72.08142	0.4
72.85892	0.3
72.93793	1.0
79.05499	1.0
81.03419	0.7
81.07054	1.0
83.04979	0.8
83.08639	0.2
84.04514	0.4
84.08157	1.0
85.02917	0.9
85.06551	0.5
86.06125	0.4
86.09713	100.0
87.04489	0.4
88.03992	0.3
90.94827	1.5
91.05489	9.0
93.07051	0.9
94.37553	0.3
95.04985	0.5
95.08630	0.6
97.02895	0.7
97.06535	1.0
98.97594	0.8
99.00826	0.3
99.04436	0.6
100.54532	0.3
105.07044	0.8
107.04993	0.5
107.08625	1.3
109.10152	0.6
111.04523	0.5
113.96364	0.3
115.07503	0.3
117.07005	0.5
119.08609	0.8
121.10159	1.0
125.09616	0.5
127.03933	0.9
128.06235	0.3
129.07040	0.5
129.10257	0.5
130.06480	0.4
131.08569	1.0
132.10222	2.1
135.08112	0.3
137.06079	0.3
142.03258	0.6
145.10120	0.7
149.02385	0.6
149.09641	1.0
149.96136	1.2
153.05464	0.3
167.03435	1.3
167.10742	0.3
167.97194	1.0
170.02663	0.4
172.97758	1.2
173.09705	0.4
177.05540	0.4
191.10727	1.0
195.02890	0.3
196.33986	0.3
199.18134	0.8
209.11787	1.3
217.08296	0.3
227.07210	0.4
227.12883	0.5
245.04329	1.8
245.08394	1.0
245.11392	0.5
245.13747	2.7
245.18645	6.5
245.91924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1388
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.67278	1.6
53.03944	1.8
55.01867	3.0
55.05508	9.7
55.93527	2.1
56.96546	4.1
57.03428	3.8
62.90310	1.2
65.03918	2.3
67.05505	16.8
69.03436	2.8
69.07057	4.6
70.06594	5.3
70.14545	3.2
70.14938	2.6
71.04978	3.2
72.08157	3.2
72.93780	4.0
79.05500	25.9
80.05011	1.6
81.03426	2.7
81.07062	28.8
83.04977	10.7
83.08646	2.8
84.04490	2.1
84.08128	4.6
85.02903	3.5
85.06531	2.2
86.09713	100.0
87.04441	2.4
90.94827	4.5
91.05491	12.6
93.07041	22.3
95.04988	8.2
95.08612	5.7
97.06538	6.7
98.04831	1.6
98.97569	4.2
99.04487	2.2
101.06013	1.9
105.05501	2.4
105.07037	14.0
107.04965	19.4
107.08614	20.1
108.05702	1.5
109.06511	6.4
109.10178	8.3
110.07159	1.7
111.04410	2.9
113.03506	1.5
113.06008	4.2
115.03928	3.5
115.05423	1.8
116.98575	2.0
117.07012	7.1
119.08585	15.3
120.08121	2.3
121.06518	7.3
121.10155	54.3
123.08083	2.7
123.11723	4.6
125.05990	4.0
125.09627	4.2
127.03905	1.7
129.07014	8.5
129.10277	2.7
131.08589	19.6
132.10219	4.2
133.10043	1.9
135.08054	2.6
135.11722	10.9
137.09647	3.7
139.07571	1.4
139.11183	3.0
142.03265	4.6
143.08591	3.3
145.02878	3.2
145.06470	3.8
145.10124	28.7
147.08081	2.3
147.11711	15.8
149.09616	17.8
149.96101	4.0
152.10695	2.9
153.12833	3.3
155.08557	23.5
163.11197	31.7
165.12772	12.4
167.10677	7.2
167.97202	3.3
172.97737	6.5
173.09637	33.8
177.05464	4.5
181.12251	26.7
183.13951	1.6
185.10062	2.0
185.11763	14.7
190.98802	2.3
191.10686	74.4
195.11356	3.9
209.11734	19.2
226.95262	1.8
227.12813	49.2
245.04358	2.5
245.13637	52.3
245.18622	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	245.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
54.35422	1.6
55.01634	1.8
55.01876	22.4
55.05515	17.3
56.96554	2.1
57.03427	2.0
57.07073	2.5
61.02922	2.0
65.03941	2.0
67.05180	1.9
67.05508	23.5
69.03425	7.0
69.07069	20.1
70.06587	4.8
71.01373	2.0
71.04997	76.4
71.05841	3.5
72.08161	2.4
72.93792	5.0
73.02905	6.7
77.03913	1.7
79.05497	40.6
81.03415	11.9
81.07053	14.5
83.01354	1.9
83.04990	12.5
83.08631	15.9
84.04509	2.4
84.08157	8.4
85.02908	5.6
85.06553	24.5
86.09712	53.1
86.75808	1.4
87.04501	2.1
90.94820	3.8
91.05488	30.9
93.07046	41.9
95.04978	22.4
95.08611	15.3
97.02896	21.9
97.06538	18.6
98.97595	4.4
99.00793	1.7
99.04457	18.8
99.08057	1.8
101.02374	2.4
103.05518	1.9
105.07043	15.7
107.04962	24.3
107.08598	27.2
109.02888	2.4
109.06531	3.4
109.10143	3.6
110.07167	2.1
110.10412	1.4
111.04440	5.3
111.08095	6.2
113.03487	3.3
113.06016	7.3
113.09654	1.9
115.03931	5.9
115.05461	2.7
115.07549	3.6
117.07022	11.9
117.54500	1.8
118.04078	1.9
119.08571	12.9
120.08156	3.0
121.02888	2.3
121.06496	5.8
121.10153	32.9
123.08075	5.6
125.06000	5.5
125.09634	14.5
127.03928	60.2
129.07027	7.2
129.09129	3.4
129.10220	5.2
130.06512	2.9
131.04892	2.3
131.08574	57.6
132.10191	2.9
135.08041	3.5
135.11688	4.6
137.09589	2.0
138.15526	1.6
139.03900	28.5
139.11191	5.9
141.05476	2.8
142.03252	3.2
143.08566	2.2
143.29588	1.7
145.06473	3.5
145.09053	3.0
145.10129	40.1
147.08052	3.7
147.11691	2.9
149.05981	2.0
149.09627	100.0
149.96143	4.1
153.05463	11.9
153.06569	1.4
155.08516	2.8
157.05037	3.2
157.07635	5.0
158.05965	3.2
161.05994	1.7
161.09570	2.6
163.07442	2.5
163.11198	19.3
165.09091	2.0
167.03412	2.0
167.07056	3.3
167.10677	11.3
167.97252	3.3
172.97665	4.0
173.09615	14.0
181.12248	17.7
191.10670	25.6
209.11737	88.7
215.08841	1.7
224.09381	2.1
226.95123	2.1
227.12788	29.6
245.04466	16.5
245.08101	3.0
245.09851	1.7
245.11743	2.8
245.13922	21.0
245.18687	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	245.1386
Annotation	Stagonolide B
Peak:m/z	Relative Intensity
50.49891	1.5
51.43099	1.4
53.03945	3.3
55.01636	1.8
55.01879	22.6
55.05314	1.5
55.05517	16.2
56.05585	1.4
56.96567	2.0
57.03427	4.3
58.09839	1.4
59.05010	1.6
65.03934	3.0
67.05186	1.7
67.05516	21.8
68.99770	1.5
69.03445	8.3
69.07076	26.4
70.06590	4.1
71.01360	1.5
71.04604	3.5
71.05000	71.5
71.51878	1.9
72.08157	1.6
72.93797	3.4
73.02938	9.1
79.05497	38.2
81.03429	13.7
81.07066	12.5
83.01347	2.1
83.04996	10.7
83.08631	13.9
84.04497	2.0
84.08151	6.3
85.02902	6.2
85.06553	28.0
86.09715	99.3
87.04479	2.5
90.94822	3.8
91.05483	21.2
93.07054	36.9
95.04986	26.5
95.08614	15.2
97.02901	27.2
97.06544	16.3
98.97592	3.9
99.00834	1.8
99.04460	19.7
99.08102	2.0
101.06074	2.0
103.05437	2.0
105.07057	14.3
107.04974	22.8
107.08617	25.4
109.06500	5.1
109.10118	1.8
111.04451	5.5
111.08102	8.2
113.05995	4.0
113.96437	2.4
115.03939	6.5
115.07581	3.1
116.98607	3.8
117.07040	9.7
119.08570	14.1
121.06535	9.2
121.10149	32.3
123.04421	2.3
123.08061	2.7
125.05987	4.8
125.09635	14.2
127.02979	3.1
127.03926	59.6
129.07013	5.8
129.09178	3.4
129.10231	3.1
130.07790	1.6
131.08583	55.2
132.10165	1.7
133.10118	1.6
135.08049	3.6
135.11708	5.4
139.03909	29.5
139.07526	1.9
139.11200	3.7
141.05444	2.0
142.03247	3.7
143.08553	2.5
145.06491	3.6
145.10149	31.8
147.08083	3.2
147.11658	3.3
149.05937	3.8
149.09633	100.0
149.96094	5.4
153.05486	18.9
155.08585	2.1
157.04976	2.8
157.07640	1.6
157.10286	1.8
158.97333	1.8
163.11189	20.0
165.08989	1.7
167.07045	1.9
167.10670	8.7
167.97194	4.0
170.02707	2.8
172.97690	4.5
173.09634	15.2
181.12253	21.2
188.00188	2.5
190.98738	2.5
191.10678	30.2
199.11078	1.4
203.08049	1.5
209.11743	93.9
217.04918	1.6
227.10594	2.7
227.12798	37.1
245.04488	4.0
245.09622	1.7
245.11635	2.0
245.13817	20.7
245.18704	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	245.0922
Annotation	Brunnein A
Peak:m/z	Relative Intensity
53.47614	0.2
55.05513	1.1
57.03458	0.2
57.07089	0.3
57.62711	0.2
67.05503	0.6
68.99775	1.0
69.03417	0.7
69.07050	0.5
69.86650	0.8
70.02940	0.3
70.06590	0.4
71.04999	0.3
72.08136	0.4
72.93790	0.3
79.05478	0.9
81.07054	1.0
82.02917	0.2
83.04960	0.7
83.08621	0.5
84.04498	0.2
85.02909	0.4
85.06533	0.6
86.09711	1.9
87.00841	1.5
90.94817	0.3
91.05460	1.0
93.07042	0.6
95.08618	1.1
97.02888	0.4
97.06511	0.5
97.10168	0.4
98.97581	0.5
99.04467	0.5
100.11246	0.7
102.45204	0.2
105.07027	0.9
107.04988	0.3
107.08585	0.7
109.02933	0.3
109.06520	0.4
109.10146	0.8
111.04452	0.8
111.08047	0.3
115.03921	0.3
115.05462	3.1
115.76778	0.2
117.05749	2.6
117.07034	0.5
118.06535	3.0
119.08541	0.3
121.06522	0.2
121.10162	0.7
123.11716	0.2
125.09663	0.5
127.03899	0.6
128.06210	0.5
128.98624	0.2
129.05423	0.2
129.06989	1.9
130.06520	10.0
131.07315	0.3
131.08551	0.6
132.08090	50.0
133.10144	0.3
135.11656	0.3
140.04880	0.5
142.03233	0.4
142.06526	7.8
142.07646	0.5
143.07314	0.5
143.08488	0.4
144.04446	0.3
144.08115	0.5
145.10123	0.6
146.11778	0.2
149.09624	0.4
149.13298	0.3
149.96104	0.5
154.06522	0.8
155.08514	0.2
156.06824	0.4
156.08087	4.7
157.07607	7.6
157.08897	0.4
157.10191	0.4
158.06108	1.3
158.08389	6.1
158.09554	0.3
159.09177	100.0
160.07587	8.8
160.09555	0.5
161.09612	0.2
166.06497	0.6
167.06038	3.4
167.07402	0.3
167.10695	0.7
167.97185	0.4
170.06010	3.5
171.06755	0.5
171.09166	1.1
172.04013	0.3
172.07657	1.2
172.97716	0.4
173.13312	0.2
181.07613	2.5
182.05957	1.2
183.06725	0.2
183.09172	1.4
184.07579	16.4
185.07104	46.3
189.11235	0.2
190.98703	0.3
191.10709	0.5
199.08696	2.3
199.14795	0.2
200.07065	7.2
201.10240	13.9
209.07104	2.0
209.13365	0.3
213.12219	0.2
227.08150	47.6
228.08464	0.3
245.09225	35.4
245.15199	1.0
245.18715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80386	0.2
54.69260	0.2
58.99842	0.2
68.98279	0.5
69.03475	0.2
69.95470	0.9
70.06590	0.6
70.59441	0.2
79.30641	0.2
82.99807	1.2
84.08150	1.7
85.01398	0.4
86.99321	0.9
91.91562	0.3
97.02882	0.6
98.21495	0.4
99.04460	0.5
101.00883	11.5
102.00980	0.9
103.00638	3.1
103.02436	0.6
103.94122	0.2
105.00371	0.3
113.00868	1.7
115.02435	0.8
119.01924	15.2
119.96952	0.2
120.02001	2.1
121.01672	4.4
125.00913	0.3
127.02425	0.4
127.03873	0.6
129.00325	0.4
129.03970	0.6
129.10216	0.4
131.01907	2.8
131.05536	0.6
133.03494	1.5
136.99559	0.3
137.02950	1.5
138.02974	0.3
139.02463	1.1
142.03476	0.5
142.98624	1.1
143.01901	9.4
145.03474	2.8
147.01404	1.5
147.05037	0.2
149.02991	0.5
149.06572	0.5
149.96033	0.3
155.01848	1.7
157.03461	6.9
159.05042	0.3
160.99655	2.6
161.02960	22.9
162.03085	0.9
163.04462	0.4
167.01895	0.8
169.03462	1.0
171.05067	0.5
172.97768	0.3
173.02974	4.7
175.04524	4.8
177.00871	0.7
177.02509	0.3
177.09709	0.5
178.01016	0.6
179.00703	16.7
179.03951	1.5
180.04146	0.9
181.03444	0.3
184.04572	0.4
184.99615	0.5
185.02960	10.6
187.04504	1.5
189.06064	0.6
191.04065	1.3
195.03746	0.3
196.39375	0.3
197.03017	1.6
199.04503	0.9
201.02621	0.3
203.00826	3.1
203.03998	11.5
203.11292	0.4
215.04033	1.9
217.05653	0.6
219.01923	0.8
219.03900	2.9
220.02023	0.4
221.01768	22.7
221.05212	0.9
221.99702	0.2
222.01816	1.4
222.06050	0.3
223.02261	0.2
226.02803	0.2
226.05426	0.3
227.00581	2.4
227.03954	2.4
233.05089	1.2
236.00397	0.3
244.03352	0.3
245.01826	11.3
245.05063	15.2
245.12259	2.1
261.03125	0.6
263.02875	100.0
263.46335	0.3
264.03012	1.0
265.03329	0.3
268.03320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	16.0
55.93523	23.3
57.34736	9.7
69.03401	12.5
69.54055	64.2
70.06593	100.0
71.06120	10.8
71.93005	11.8
72.08147	38.6
72.93791	95.0
84.04490	41.5
84.08134	45.4
85.02906	12.5
86.06076	27.2
86.09708	65.7
89.94061	11.1
90.94837	79.2
102.94830	10.9
112.05008	12.2
113.03481	56.1
113.96328	15.0
116.07093	48.1
127.80158	9.6
129.10281	10.7
130.04994	9.9
131.16438	10.3
132.06525	14.9
142.03226	14.7
144.95845	16.4
149.96107	84.0
157.86887	10.7
167.97171	49.6
172.97752	71.1
185.09253	12.0
190.98724	18.6
199.02956	15.2
227.10246	21.5
244.16673	16.5
245.00552	21.8
245.04034	29.3
245.06248	24.9
245.11679	37.8
245.15976	49.2
245.18648	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.9621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25568	1.0
55.01854	1.3
55.05514	1.6
55.93533	20.9
56.94322	1.2
57.03423	1.1
66.20782	1.2
69.95070	1.4
70.06601	13.5
71.05011	1.3
71.51126	1.9
71.93022	8.5
72.93797	84.7
73.94566	3.4
79.05486	1.4
80.87155	1.1
81.03448	1.3
82.49900	1.2
84.04497	4.0
84.08145	1.3
85.02891	1.2
89.94043	13.5
90.94836	100.0
93.07058	1.4
100.07645	1.4
105.93532	3.8
105.97150	2.6
107.95084	5.3
108.95869	9.7
111.98475	1.6
113.03509	15.1
113.96410	23.7
116.07089	2.0
123.94568	1.6
125.96161	2.3
128.95110	1.9
128.98743	1.4
130.12480	1.2
131.95049	5.8
131.97469	8.6
132.95816	5.8
141.01625	1.7
142.03207	2.7
146.96135	1.3
149.96123	99.6
150.96872	3.3
154.96555	1.8
167.95723	2.1
167.97188	67.4
172.97731	96.1
190.98778	37.8
214.00357	2.1
214.20795	1.3
215.04794	1.1
221.94781	1.5
227.01706	4.3
227.10268	2.5
245.02501	6.0
245.11551	3.9
245.15645	2.1
245.18727	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	243.1593
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03947	2.5
55.01876	5.2
55.05514	19.3
56.96583	2.6
57.03439	5.2
57.07072	5.0
59.04999	2.2
67.05507	42.6
69.03413	8.7
69.07064	20.3
71.04670	1.8
71.04996	16.7
71.08636	2.4
71.52650	2.6
79.05493	30.2
81.03428	19.9
81.06596	4.9
81.07058	76.4
83.04964	10.6
83.08611	15.1
85.02892	5.7
85.06538	9.9
87.82907	2.2
91.05492	44.4
93.07047	18.5
95.04970	17.8
95.08617	23.1
97.02856	4.6
97.06539	19.3
97.10162	4.6
98.97578	6.9
99.08082	5.9
100.06014	2.3
101.06010	3.8
105.07034	48.7
107.04949	5.2
107.08594	14.0
109.06528	14.9
109.10167	16.4
111.04469	5.9
111.08124	5.6
113.05996	4.3
114.95633	2.9
117.07045	4.0
119.08591	39.8
121.10155	17.6
123.08083	8.7
123.11690	11.8
125.09604	3.4
127.07528	4.7
129.07062	11.7
131.08563	16.5
132.96729	2.2
133.10133	27.3
137.05882	2.6
137.09666	2.7
141.07050	2.4
142.07800	3.6
143.08624	3.2
145.10104	3.5
147.08008	5.4
147.11696	100.0
149.09593	11.3
151.07494	3.4
151.11189	7.3
155.08514	3.3
157.10107	31.9
158.99638	3.8
159.11710	3.7
161.09615	3.9
161.13257	4.9
165.12772	34.4
167.08600	3.0
168.09264	2.7
169.08598	2.8
169.10132	4.6
175.11201	53.3
178.95964	3.8
183.11685	3.4
187.13312	4.4
189.12715	4.9
193.12247	100.0
207.13885	2.9
211.13316	32.4
215.14383	3.2
225.12860	3.9
225.14830	27.8
229.14359	9.1
243.06487	2.5
243.10349	7.7
243.13792	5.7
243.15799	8.7
243.17676	6.3
243.21385	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	243.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17673	0.7
53.03938	1.0
55.01871	4.2
55.05504	4.3
56.70003	0.7
57.03424	1.2
57.07061	0.9
64.14496	0.8
67.05506	13.9
69.03424	1.0
69.07072	7.4
71.04983	1.8
71.26002	1.0
76.70682	0.7
79.05492	7.9
81.03402	0.6
81.07056	32.4
83.04971	3.3
83.08610	2.7
85.02898	2.0
85.06537	2.8
88.07616	2.9
88.79864	0.8
89.07990	0.9
91.05483	19.6
93.07047	6.9
95.04954	3.3
95.08058	0.8
95.08604	5.4
97.06537	8.0
97.10162	1.2
99.04399	0.8
99.08093	2.6
105.07034	18.7
107.04968	1.0
107.08601	7.3
109.06507	7.1
109.10152	2.3
111.04425	1.1
113.05991	2.1
114.95640	1.1
115.05419	1.1
117.07065	0.9
117.31517	0.8
119.08584	19.2
121.06479	1.3
121.10139	10.4
123.08060	3.2
123.11705	15.0
127.07574	1.6
128.06161	0.8
129.06999	5.7
131.08549	4.3
133.10127	8.0
135.08057	0.9
137.13226	1.0
141.06990	0.8
142.07748	2.4
143.08562	1.0
145.10112	1.7
147.08067	1.2
147.11691	57.3
149.09607	2.1
151.11156	1.3
153.07057	1.2
155.08539	2.8
157.10129	16.9
159.08070	1.6
160.08878	0.8
165.12756	24.0
167.08607	0.8
168.09334	2.0
171.11652	0.9
173.13391	0.8
175.11188	16.8
175.12575	0.6
181.10136	1.1
183.11696	8.3
183.13705	1.1
191.08351	0.9
193.12248	12.4
197.13226	1.6
199.11165	1.0
201.12711	1.7
210.10388	0.9
211.13284	4.7
215.14359	0.8
219.65932	0.7
225.12701	1.8
225.14816	1.7
229.14352	100.0
230.14716	0.9
243.13748	3.8
243.17534	1.9
243.21129	1.3
243.25108	2.0
243.28764	1.1
244.26228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58350	0.1
53.87650	0.1
69.96280	0.3
70.06590	0.1
73.54594	0.1
82.99834	0.7
84.08155	0.2
98.09698	0.2
98.97570	0.5
101.00886	6.2
116.98769	0.3
119.01924	8.4
120.02032	0.1
122.97797	0.2
126.47884	0.1
134.99922	0.5
137.02946	1.1
140.98819	1.4
142.03484	0.2
157.01985	0.1
158.99896	4.3
161.03003	0.1
165.99725	0.3
175.03049	0.4
177.00957	17.9
178.01097	0.4
179.01485	0.1
182.99869	0.9
193.04071	0.2
197.00609	0.1
197.02917	0.2
199.03038	0.3
200.02533	0.2
201.00931	3.4
201.02330	0.2
209.98628	0.1
215.01628	0.1
215.99620	0.1
217.04102	3.1
219.02010	23.4
219.94502	0.2
220.02148	1.4
221.02325	0.2
225.00838	2.5
227.99669	0.2
234.00659	0.4
238.03246	0.2
242.03603	0.2
242.21007	0.1
243.01994	12.8
244.02248	0.1
261.03064	100.0
262.03217	1.3
263.03467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1383
Annotation	4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone
Peak:m/z	Relative Intensity
53.03936	3.7
55.01854	4.1
55.05510	10.4
57.03420	3.8
67.05524	17.0
69.03422	4.7
69.07063	8.4
69.94097	3.5
71.04980	14.8
71.26847	3.6
71.52664	3.3
71.53072	5.9
75.46101	4.2
79.05481	13.9
81.03416	6.5
81.07062	43.8
82.27554	3.3
83.04968	8.0
83.08582	4.0
85.06526	3.9
88.07635	13.7
88.38844	3.2
89.07957	5.4
91.05486	28.8
92.52637	3.5
93.07050	33.7
94.64774	3.0
95.04967	32.1
95.08601	11.5
97.06519	9.0
101.06025	4.4
105.07035	36.8
107.04961	4.5
107.08575	12.9
109.06553	17.2
109.10159	4.4
111.29155	3.0
114.95634	8.7
117.06999	7.3
119.08599	37.0
121.06526	20.8
121.10170	11.0
123.08070	15.1
123.11708	13.4
128.06244	9.8
129.07048	17.0
131.08562	16.3
132.96657	6.7
133.06422	3.7
133.10136	15.1
135.08043	11.9
137.06018	3.8
141.06975	12.4
141.64784	3.0
142.07777	23.7
143.08588	23.8
145.06491	4.0
145.10158	18.7
147.08054	15.1
147.11699	44.6
149.09619	3.5
153.06975	15.0
155.08563	44.1
156.09352	5.9
157.10156	43.1
159.08089	16.8
159.11714	10.4
161.09604	9.9
165.07034	6.7
165.12756	11.5
166.07828	7.2
167.08597	21.7
168.09373	32.9
169.10107	8.0
171.11713	9.5
173.09647	10.1
173.13351	16.4
175.11201	17.2
178.96001	12.0
181.10146	11.1
182.10950	11.6
183.08073	4.1
183.11710	100.0
185.09639	16.9
192.09361	7.5
193.12311	15.6
195.08044	10.3
197.09607	3.8
197.13297	23.2
199.11122	15.7
200.11935	6.7
201.12778	40.9
207.11716	14.1
210.10406	9.6
211.13245	4.4
215.14352	12.9
225.12791	35.9
226.08092	6.1
229.14372	66.9
243.13797	66.3
243.17526	11.1
243.21291	9.8
243.25089	11.6
243.28738	8.9
244.26337	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	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	1.7
57.21623	1.0
62.98949	1.1
63.97701	1.1
67.05488	3.2
68.05028	1.7
69.03417	1.8
69.07059	2.5
70.06579	1.8
70.07398	1.2
71.51120	1.5
72.08144	1.6
81.07036	2.2
81.32935	0.9
83.06097	4.4
84.04473	1.7
84.08143	2.6
85.02911	1.2
86.09683	3.3
93.07040	2.0
94.07366	1.5
98.09692	6.9
110.07151	1.4
111.05547	1.6
112.03712	6.3
124.03959	12.8
138.05515	3.9
140.14290	2.4
153.05247	6.6
158.15340	1.5
181.89395	1.2
196.09692	1.3
196.14256	2.1
224.09015	7.5
226.96477	1.5
242.10011	100.0
242.14880	11.6
242.21133	6.6
244.97443	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	242.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21067	0.8
55.05502	1.6
56.05036	1.8
58.06586	1.0
69.03424	3.9
69.07066	1.1
70.06591	1.9
71.50997	1.3
72.08166	1.1
74.06100	5.0
74.06446	0.7
81.07036	1.4
83.05001	1.0
83.06120	2.1
84.04485	2.1
84.08143	3.6
84.08944	0.9
85.02874	1.3
86.09698	2.3
87.04450	1.3
88.67685	0.9
93.07040	1.2
94.07365	1.2
98.09703	6.2
101.06049	0.9
107.18911	0.9
110.06042	1.6
110.07200	1.3
111.08140	1.4
114.78494	0.9
120.08120	2.1
122.06029	0.9
126.05513	2.3
126.10884	0.9
129.10272	1.0
140.14337	2.5
143.90422	0.9
144.07457	0.9
153.03336	1.1
154.04993	1.5
161.04706	1.1
164.03467	0.8
164.10733	1.1
168.06570	1.6
178.08684	0.9
178.13182	1.4
182.04453	1.1
182.07935	1.3
196.06013	2.0
196.14174	1.8
224.05524	1.3
224.09068	1.7
242.10023	100.0
242.14819	7.2
242.18622	1.6
242.21031	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	242.9904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73584	16.5
55.05508	21.8
55.93538	14.9
58.59327	15.5
63.76019	16.5
65.42332	16.7
68.05044	21.7
69.07066	22.3
70.06595	42.8
70.14836	62.8
77.74748	16.6
81.07059	19.8
84.04485	32.8
84.08149	44.9
85.06527	29.0
90.94830	17.9
95.06141	21.3
96.04507	100.0
98.09690	18.6
111.69102	14.7
111.76374	17.2
114.05622	15.1
121.10141	22.0
126.79216	16.1
128.03426	34.7
142.61835	18.8
174.03981	89.2
196.06023	18.6
197.22668	16.9
242.15891	33.6
242.99091	74.8
243.04527	34.5
243.10001	31.3
243.13474	29.8
243.16034	59.1
254.32591	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	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.58812	0.2
52.03154	0.2
53.03953	0.2
55.05497	0.9
57.03434	0.3
57.07057	0.5
58.06604	14.5
67.05505	0.6
68.01054	0.3
69.03443	1.6
69.07070	1.2
69.82033	0.8
69.82450	0.6
70.06600	2.5
72.08143	0.3
79.05511	0.3
81.03433	0.5
81.07058	0.8
83.04985	1.1
83.08619	0.6
84.08145	8.5
84.08633	0.5
85.06549	1.8
87.04471	0.6
89.62971	0.2
91.05460	0.3
93.07062	1.3
95.08621	0.9
97.06523	0.7
98.06057	0.3
98.09718	1.3
98.20766	0.6
99.08089	0.5
100.11282	0.5
101.05979	0.3
107.08591	0.3
109.06491	0.6
111.08086	1.6
115.03921	0.4
116.07125	0.6
119.63451	0.3
121.06522	0.3
121.10159	0.3
123.06825	0.3
126.05481	0.3
128.10727	3.2
129.05493	0.7
129.09135	1.1
135.11665	0.4
143.07043	0.6
144.10233	1.3
151.11203	0.3
152.07091	0.6
152.10689	0.4
153.09184	0.3
157.08592	1.2
159.11824	0.3
168.10257	0.7
177.12767	0.8
183.38481	0.3
195.13844	1.2
196.09705	4.6
213.15984	0.3
223.13257	0.5
241.15511	100.0
242.15840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54174	0.2
55.05506	0.7
57.07076	0.4
58.06603	15.5
61.62581	0.2
62.48043	0.2
67.05499	0.7
69.03425	1.9
69.07070	1.7
69.79739	0.2
70.06588	2.1
70.09855	0.5
70.10235	0.4
71.04969	0.2
72.08137	0.4
72.89644	0.2
77.63230	0.2
79.05514	0.4
81.03407	0.3
81.07056	0.9
83.04971	1.2
83.08618	0.9
84.08147	8.4
85.06553	1.6
87.04459	0.8
91.05489	0.4
93.07047	1.8
95.05025	0.3
95.08614	0.9
97.06532	0.6
98.06062	0.3
98.09692	1.3
99.08086	0.6
99.78020	0.3
100.11233	0.4
101.06033	0.9
104.10741	3.6
105.07063	0.4
107.08609	0.9
111.08092	2.1
114.05531	0.2
115.03929	0.6
115.07595	0.3
116.07080	0.3
119.08583	0.5
121.10093	0.5
126.05514	0.4
128.10735	3.1
129.05453	1.3
129.09143	1.3
133.10085	0.4
135.11699	0.8
139.07542	0.6
143.07060	0.9
144.10199	1.1
149.13260	0.3
151.11186	0.3
157.08638	1.7
159.11714	0.4
168.10199	0.8
177.12773	0.6
180.65469	0.3
195.13831	1.0
196.09688	4.8
213.16139	0.2
223.13300	0.5
241.15497	100.0
242.15907	0.3
254.00732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1438
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
53.03954	4.0
55.01866	6.2
55.05513	18.1
56.96574	3.2
57.03436	5.0
57.07069	7.2
59.04991	6.5
61.35738	2.1
64.64924	2.5
65.03939	2.8
67.05511	16.5
67.09692	2.1
69.03436	27.7
69.07084	23.1
69.73456	11.7
71.04984	7.5
79.05505	20.0
81.03448	2.3
81.07066	27.7
83.04995	33.5
83.08627	24.4
85.02917	29.2
85.06561	36.6
87.04459	6.7
91.05497	15.4
93.07059	30.9
95.04979	15.3
95.08626	20.1
97.02904	8.9
97.06554	20.0
97.10194	3.1
98.97606	4.8
99.04469	60.7
99.08100	5.8
100.11253	12.5
101.02416	2.6
101.06004	6.4
105.07036	13.9
107.04962	8.2
107.08611	68.8
109.02867	3.2
109.06512	9.0
109.10179	13.4
109.80434	2.3
111.04443	8.2
111.08102	24.5
113.05981	2.3
113.09577	2.8
114.84911	2.7
115.03936	3.3
117.07037	4.8
119.08568	10.9
121.06503	9.7
121.10181	31.9
123.08081	10.7
123.11693	6.7
125.06020	41.0
125.09650	96.9
129.05524	12.2
129.07034	4.1
129.09129	9.8
130.07864	2.3
131.08580	4.5
133.10130	5.3
135.08070	6.1
135.11682	12.8
137.05997	7.2
137.09627	8.6
139.07558	46.8
139.11168	8.0
142.12277	3.7
143.07098	8.5
144.09348	2.4
145.10118	22.7
147.08078	2.9
149.06007	18.0
149.09630	7.1
149.13251	4.0
151.11197	6.2
153.09113	3.8
157.08623	13.1
157.10028	2.4
159.11708	9.6
159.14893	10.4
163.07605	11.0
163.11189	34.1
165.09164	5.6
167.07062	74.6
167.10696	4.7
177.12753	13.0
181.12253	9.8
183.10158	20.3
187.11188	4.3
195.12091	3.3
195.13812	14.8
195.20996	2.5
205.10445	4.8
205.12273	65.4
218.06943	6.7
223.09752	4.7
223.13324	100.0
227.07550	2.2
227.72240	2.3
241.04991	6.3
241.08598	2.8
241.14357	81.3
241.19286	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	241.1436
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
52.17105	0.7
53.03955	2.3
55.01869	1.6
55.05513	15.9
57.03428	1.9
57.07079	3.2
59.05006	1.9
65.03946	0.8
67.05501	6.8
69.03431	8.5
69.07072	100.0
69.86774	3.3
71.04993	2.4
73.06556	0.8
75.21137	0.7
79.05482	5.4
81.03416	1.3
81.07066	10.0
83.04992	5.1
83.08622	3.9
85.02910	4.3
85.06543	4.3
87.04480	3.0
91.05472	4.6
93.07046	11.3
95.04974	3.2
95.08609	36.2
97.02916	0.9
97.06521	4.9
97.10175	3.1
98.97629	1.5
99.04484	1.7
99.08084	2.0
101.06033	3.3
103.03949	43.7
105.07021	2.7
107.04996	2.4
107.08600	6.9
109.06521	3.3
109.10175	3.7
111.04482	3.6
111.08083	8.4
111.11726	60.4
115.03952	1.7
116.98576	1.2
117.07015	2.1
119.08575	2.6
121.06484	3.9
121.10152	7.5
123.08121	1.8
123.11693	3.4
125.05980	1.6
125.09644	3.5
127.03879	0.9
129.05479	4.3
129.09113	4.7
131.08539	2.5
133.10144	1.6
134.66051	0.9
135.11703	4.0
137.09610	1.8
139.07521	3.1
139.11186	61.1
140.11951	1.3
143.07043	1.8
143.08606	0.8
145.10124	2.8
149.09616	1.8
149.13239	1.2
151.11148	2.5
153.12694	1.6
157.08624	5.7
157.09933	1.2
159.11693	2.5
163.11147	2.8
167.07065	1.7
173.09650	1.1
177.12762	3.8
181.12210	2.0
183.10130	0.9
188.96996	0.8
191.10616	1.9
194.97871	1.4
195.12091	1.1
195.13780	7.4
205.12177	3.2
209.11711	0.7
223.13275	7.6
227.12750	1.4
241.08640	1.5
241.12277	2.2
241.14276	31.7
241.19490	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1644
Annotation	Penihydrone
Peak:m/z	Relative Intensity
53.03936	2.3
55.01888	3.3
55.05516	10.9
56.96551	3.4
57.03432	2.4
57.07066	4.4
58.77084	1.4
59.05006	11.9
66.04694	1.4
67.05180	2.5
67.05511	26.0
69.03426	2.6
69.07079	10.8
71.04994	7.5
73.06593	1.5
77.03898	1.6
79.05489	6.0
81.03409	1.8
81.07063	24.1
83.04990	14.0
83.08619	3.6
85.02916	41.4
85.06535	6.2
89.06042	8.7
89.52048	1.6
91.05483	13.0
93.07051	13.4
95.04966	4.8
95.08617	42.2
97.06538	18.8
99.04463	7.3
99.08097	3.5
101.06028	5.1
105.03402	3.2
105.07050	22.9
107.04954	3.0
107.08600	23.1
109.06537	13.0
109.10167	95.5
111.04430	7.6
111.08087	5.9
113.09652	6.1
115.05447	2.6
117.07079	1.4
119.08591	27.1
121.06555	8.6
121.10143	6.9
123.04413	2.7
123.08057	16.9
123.11721	4.9
125.06011	21.8
125.09641	31.9
127.07597	1.7
131.08585	7.1
133.06483	3.9
133.08607	2.1
133.10133	10.9
135.08069	7.5
135.11699	5.3
137.06010	3.3
137.09634	32.2
139.07550	91.2
139.11214	2.5
143.08565	3.7
145.10130	8.1
146.07317	1.9
147.08051	8.5
147.11696	22.0
149.09647	5.6
151.07556	2.8
151.11185	5.9
153.09113	13.1
155.10684	6.5
156.09326	5.8
159.11690	2.7
161.09659	16.7
161.13260	7.0
163.07513	7.0
163.11195	3.0
165.05498	1.6
165.09116	35.1
171.11696	8.7
174.10365	3.3
174.90189	1.7
175.11214	5.3
175.14807	1.7
179.10690	17.7
179.14313	3.9
181.08589	4.6
181.12178	2.0
189.12752	23.0
192.91173	3.7
193.12239	5.2
197.11716	7.9
203.10680	5.9
203.14320	19.7
203.17841	4.1
210.92151	3.1
219.68727	1.5
221.11952	21.2
221.15376	100.0
221.18977	7.6
237.62103	1.4
239.08948	41.1
239.12680	18.0
239.16396	34.2
239.20149	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	239.1641
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.56527	0.4
55.01872	0.7
55.05508	3.1
56.96559	0.7
57.03444	0.6
57.07080	2.8
59.05004	100.0
59.81521	0.4
60.51024	0.4
63.59656	0.3
67.05504	4.1
69.03429	0.9
69.07069	1.7
69.16625	3.6
71.04990	1.6
71.08649	0.5
73.06547	0.7
79.05506	2.4
81.07057	4.9
83.04972	1.0
83.08632	2.5
85.02898	1.4
85.06544	1.7
89.06031	1.9
90.90083	0.5
91.05470	1.8
93.07059	2.4
93.81412	0.4
95.04967	3.1
95.08606	5.3
97.06538	1.3
97.10174	0.4
99.04464	4.0
101.06034	0.7
105.03387	0.8
105.07055	3.1
107.08604	2.2
108.05717	0.6
109.06521	3.0
109.10165	3.2
111.08070	1.2
113.05968	0.7
115.05457	0.6
117.96008	0.5
119.08581	2.9
121.06483	1.4
121.10110	1.8
123.08072	11.7
123.11644	0.7
125.09586	1.4
129.05486	0.5
129.06946	0.9
131.08549	1.2
133.06425	0.8
133.08559	0.6
133.10089	1.7
135.08028	0.9
135.11642	0.8
137.05919	1.7
137.09601	1.1
139.07477	0.6
141.06949	0.6
145.10083	0.7
147.07982	1.1
147.11617	1.8
147.30315	0.4
149.09624	1.9
151.07559	13.3
153.09029	1.3
155.08533	0.5
155.10544	0.5
155.90514	0.4
157.10039	1.0
159.11670	0.6
161.09518	0.7
161.13156	1.5
163.11200	2.4
165.09036	0.6
165.12729	0.5
169.10077	1.1
171.11646	0.9
175.11012	0.6
179.10612	1.1
181.09998	0.6
181.12166	1.5
183.10066	0.9
183.11581	1.4
189.12778	2.4
192.90959	1.2
193.12161	0.5
195.13684	1.8
197.13351	1.9
198.18500	0.5
199.69492	0.4
203.08464	0.5
203.10573	0.9
203.14159	0.9
207.13812	5.4
210.92050	0.7
211.14743	0.5
221.09543	0.7
221.11543	1.0
221.15392	2.8
233.93439	0.5
239.06664	0.6
239.08841	8.0
239.12601	1.3
239.16177	19.5
245.72842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1642
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03943	0.5
55.05519	1.6
56.96576	0.5
57.03447	0.8
57.07068	2.3
59.05004	100.0
67.05505	3.1
69.03427	0.7
69.07072	1.7
69.40605	3.3
71.05004	1.2
72.27729	0.5
79.05490	1.3
81.07060	3.6
83.04986	1.5
83.08620	0.7
85.02909	3.7
85.06537	2.0
85.10159	0.4
89.06023	1.8
91.05472	1.4
92.99751	0.4
93.07038	2.2
95.04962	1.8
95.08603	5.2
97.06530	1.7
97.10143	0.6
99.04471	2.5
101.06004	0.6
103.05507	0.5
105.03404	0.7
105.07049	2.8
107.08616	2.4
109.06511	1.8
109.10139	2.7
111.08037	0.8
113.09695	0.5
117.06958	0.4
119.08614	2.7
119.34816	0.4
121.06516	1.2
121.10113	1.6
123.04471	0.4
123.08071	11.0
123.11719	0.6
125.09631	2.7
131.08514	1.1
133.08595	1.1
133.10130	2.1
135.08060	1.0
135.11656	0.6
136.08763	0.4
137.09627	2.8
139.07536	1.8
141.06966	0.8
145.10136	0.6
147.11711	1.2
149.09628	2.0
151.07553	15.5
151.11171	0.9
153.09073	1.2
155.08577	0.6
155.10674	0.6
157.30939	0.4
159.11649	0.5
161.09576	1.3
161.13251	0.9
163.07550	0.6
163.11150	1.9
165.12715	1.1
169.10063	1.5
171.11774	0.6
175.11084	1.0
179.10623	1.4
181.10004	0.6
181.12260	0.8
183.10155	0.9
183.11673	2.0
189.12798	2.1
192.91048	1.5
197.13199	1.5
207.13795	5.8
210.92178	1.0
211.14738	0.5
215.92531	0.6
221.11655	1.6
221.15294	1.4
224.15463	0.5
239.07045	0.5
239.08896	4.9
239.12595	1.7
239.16299	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	239.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67161	0.8
55.01870	1.8
55.05510	7.7
57.03428	1.3
57.07071	2.3
59.04984	3.0
66.33909	1.1
67.05517	7.4
69.03404	3.9
69.07050	4.1
71.05007	6.4
71.10864	1.6
79.05503	5.5
81.03387	1.0
81.07055	10.9
83.04990	21.1
83.08633	4.6
85.02909	100.0
85.06511	2.1
85.10203	1.1
89.06020	3.2
91.05496	6.8
93.07049	15.1
95.04980	4.8
95.08615	31.4
97.02900	1.5
97.06536	30.9
99.04457	2.5
105.03401	1.9
105.07031	5.6
106.30468	1.0
106.45096	0.8
107.04906	1.0
107.07883	1.9
107.08601	33.3
109.06514	13.2
109.10170	13.5
111.04452	10.3
111.08088	8.7
111.46321	0.9
113.05996	2.2
113.09653	10.0
119.08587	7.6
121.06519	16.5
121.10136	2.4
123.04431	4.5
123.08074	4.8
123.11729	2.3
125.09641	61.5
127.03911	1.2
127.11146	1.2
131.08553	1.8
133.06485	1.2
133.10118	9.8
135.08057	7.5
135.11696	2.1
137.05965	2.1
137.09625	49.3
137.13213	1.0
139.07556	20.7
142.31209	1.0
143.08531	2.0
145.10074	1.2
147.08014	1.5
147.11716	1.2
149.09641	2.2
151.03864	1.3
151.11198	9.8
153.09106	12.3
155.10699	14.2
161.09630	17.3
161.13281	2.2
163.06326	0.7
163.07547	19.2
165.09258	1.3
165.12711	1.1
175.11183	4.5
179.10681	32.5
181.08585	8.3
183.06468	1.4
188.08318	2.2
193.12276	6.4
197.11746	18.0
203.10712	13.0
203.14198	1.0
203.17935	1.4
211.13058	1.2
221.09666	2.0
221.11745	37.2
221.15300	3.7
229.62466	0.8
239.09062	12.1
239.12778	39.2
239.16376	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	238.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48658	0.4
54.36010	0.3
56.96566	0.8
57.10421	0.4
61.62473	0.3
69.91776	1.8
70.06613	0.8
72.08148	0.6
79.05497	20.9
84.08164	0.7
86.02441	0.4
86.09705	0.8
87.00827	3.8
89.03905	0.8
91.74628	0.3
91.89941	0.4
95.04956	0.8
97.02878	0.4
98.97579	0.6
104.03513	0.4
105.03400	0.4
106.06561	100.0
107.04960	14.3
107.05721	0.4
117.03371	1.2
132.04462	9.3
135.04422	28.8
136.06161	0.7
143.00211	0.7
145.02831	1.0
148.07574	0.6
150.05478	0.5
152.07066	3.2
163.03931	5.6
174.05527	2.4
192.06564	60.8
202.05032	0.4
220.06061	1.6
230.83371	0.3
238.07088	1.4
238.14470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.128
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
55.01870	1.5
55.05518	6.0
57.03433	1.0
57.07074	1.9
58.90948	0.8
59.05000	3.1
67.05497	8.6
67.50641	0.6
69.03424	3.3
69.07076	4.4
70.06590	0.7
71.04998	4.3
71.08657	1.0
71.12879	1.1
71.13206	1.0
79.05487	5.5
81.03432	0.9
81.07060	9.0
83.04496	1.1
83.04985	22.1
83.08617	5.3
85.02908	100.0
85.06550	2.3
89.06026	3.0
91.05476	6.6
93.07046	12.9
95.04965	4.4
95.08611	33.4
97.02895	1.2
97.06534	34.1
97.10165	0.9
99.04450	4.1
99.08116	0.9
101.05984	1.1
105.03410	1.3
105.07020	7.5
107.04958	0.8
107.08599	32.6
109.06525	11.9
109.10157	15.8
111.04446	10.6
111.08099	8.2
113.06004	1.8
113.09650	10.9
117.07003	1.6
117.95982	0.8
119.08580	10.5
121.06511	18.2
121.10143	3.0
122.07176	0.9
123.04440	4.8
123.08077	6.1
123.11715	2.7
125.05990	1.7
125.09635	65.6
127.07471	0.9
127.11188	1.6
129.07033	1.1
129.09087	1.5
131.08575	1.8
133.06512	0.9
133.08615	0.8
133.10126	10.9
135.08047	10.6
135.11691	1.3
137.05995	2.0
137.09622	51.0
137.13258	0.8
139.07544	24.6
141.05482	6.8
143.08542	1.9
145.06541	1.3
145.10158	1.5
147.04396	0.8
147.08064	2.0
147.11729	3.8
149.09636	1.9
151.07568	1.6
151.11189	7.9
153.09108	13.0
155.08664	0.9
155.10684	11.0
157.10110	1.8
159.08032	1.4
159.11703	0.8
161.09622	22.4
161.13239	1.8
163.07555	19.4
163.11214	1.4
165.09187	1.6
165.12759	1.5
169.10059	1.0
169.12250	1.1
175.11137	4.5
175.14792	1.8
179.10678	33.3
181.08606	9.4
183.11610	1.1
188.08365	1.3
192.91164	1.4
193.12231	6.9
193.15833	3.2
197.09911	1.2
197.11731	18.5
197.13289	0.9
203.08870	1.2
203.10670	14.4
203.14366	1.8
210.92159	1.3
211.13168	0.9
221.11732	37.0
221.15157	8.8
239.05371	1.1
239.09038	13.5
239.12747	41.6
239.16196	5.7
244.97432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03941	0.4
55.01860	0.5
55.05508	0.7
57.07074	1.8
58.00311	0.3
59.05006	1.9
67.05508	0.7
68.18156	0.3
69.03420	0.8
69.07059	0.6
69.19431	0.7
69.19833	2.0
71.04975	1.3
71.05330	0.3
79.05054	0.4
79.05467	1.7
81.07058	4.0
83.01335	0.5
83.04980	2.9
85.02907	4.9
85.06540	1.0
87.39377	0.3
91.05476	4.3
93.06491	0.5
93.07049	8.4
95.04977	3.6
95.08599	0.7
97.06539	2.2
99.04456	3.2
105.07032	3.7
107.08607	4.5
107.81387	0.3
109.06520	10.6
109.10120	0.5
111.08110	1.5
115.05441	0.5
117.07008	2.6
119.08570	3.5
121.06504	8.3
121.10152	2.4
121.78519	0.3
123.08086	1.4
125.05917	0.4
125.09647	0.5
129.07002	1.2
131.08571	4.1
133.10152	2.4
135.08057	7.8
135.11655	1.3
137.05974	8.2
137.09599	0.6
139.07558	4.0
143.08571	0.9
144.09338	4.0
145.06508	0.4
145.10092	1.3
146.79077	0.3
147.08109	0.3
147.11740	0.4
149.09608	0.8
149.13263	1.0
151.07535	3.0
153.09102	1.3
157.10124	0.7
158.10930	0.7
159.11696	21.0
161.09648	2.2
163.07544	9.3
164.08368	0.9
173.13330	1.9
175.11215	0.6
177.12752	5.4
179.10623	0.5
181.08600	12.0
183.11697	0.4
191.14336	1.4
201.12804	1.6
219.13802	6.9
237.14853	100.0
238.15166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03944	1.2
55.05513	30.5
57.03426	0.8
57.07072	1.2
59.04996	0.6
66.77518	0.6
67.05513	7.5
68.78407	0.6
69.03419	2.2
69.07074	9.1
69.76365	3.3
71.04994	2.1
79.05483	4.3
81.07068	8.4
83.04987	38.0
83.08624	36.3
85.06535	1.1
85.10180	1.7
91.05473	3.2
93.07053	11.2
95.04993	5.8
95.08066	1.1
95.08617	14.0
97.02881	2.0
97.06546	6.4
97.10186	1.8
99.08111	0.7
105.07018	5.9
107.08601	21.0
109.06550	6.3
109.10162	22.3
111.04446	23.1
111.08074	6.1
113.06001	1.4
113.09645	7.4
117.06985	1.0
119.08585	5.6
121.05688	0.9
121.06513	11.4
121.09341	1.0
121.10155	13.7
123.08065	4.5
123.11737	3.8
125.05981	3.8
125.09633	6.9
127.07571	6.0
131.08588	3.0
133.10144	12.2
135.08051	7.7
135.11700	3.0
136.08838	21.9
137.09625	18.8
139.07558	7.6
143.08514	1.6
144.09323	1.6
145.10062	1.0
149.09644	1.8
149.12057	1.0
149.13266	18.6
151.11191	3.0
151.14844	1.2
153.09123	9.8
155.10634	1.8
159.08063	1.3
159.11685	13.1
161.09624	14.9
167.14314	4.4
173.13309	3.3
175.11235	1.2
176.32848	0.7
177.09181	0.7
177.12750	22.1
179.10680	53.1
191.14343	1.6
195.13820	49.7
200.92392	0.6
201.12755	1.4
219.13829	7.0
222.64734	0.7
222.67207	0.7
237.14853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1488
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.68474	0.3
51.12869	0.3
51.65886	0.4
53.03946	0.5
55.01881	1.9
55.05514	1.9
56.86317	0.3
56.96565	0.6
57.03426	0.8
57.07082	2.5
57.65122	0.4
59.05005	2.6
65.03928	0.4
67.05510	4.9
69.03421	1.4
69.07081	3.4
70.06552	0.4
70.66318	1.0
71.01369	0.4
71.05002	2.5
71.08624	0.3
75.04045	0.3
79.05499	5.4
81.03403	0.8
81.06604	0.5
81.07066	9.5
83.01344	0.6
83.04982	4.5
83.08607	0.9
85.02911	5.0
85.06532	1.5
91.05483	6.6
93.07050	10.5
95.04973	7.9
95.08606	4.7
97.06535	4.9
97.92184	0.4
98.20821	0.4
99.04459	4.0
99.08080	0.7
103.05460	0.7
105.03449	0.5
105.07040	6.3
107.04973	0.8
107.08602	7.0
109.02879	0.7
109.05810	0.8
109.06528	12.8
109.10164	3.6
111.04447	0.7
111.08099	2.9
115.05448	0.7
115.96437	0.9
117.07014	3.1
118.06550	0.6
119.08586	5.8
121.06514	9.5
121.10150	5.0
123.04449	0.4
123.08087	5.3
123.11713	0.8
125.06005	1.1
125.09608	1.3
127.07561	0.6
129.07011	1.7
130.07838	0.6
131.08582	5.9
133.06465	0.5
133.10141	4.8
135.08063	10.1
135.11679	3.2
137.05981	8.1
137.09633	2.2
138.10358	0.5
139.07559	4.0
142.07817	0.6
143.08557	1.1
144.09361	3.9
145.06454	0.9
145.10156	2.4
146.05952	0.5
147.08037	1.0
147.11722	1.0
149.06020	0.5
149.09637	1.9
149.13261	2.0
151.07541	3.7
151.11188	0.8
153.09119	1.7
154.25102	0.4
157.10136	1.4
158.10881	0.8
159.08107	0.7
159.11707	21.2
161.09621	1.8
161.13260	0.8
163.07553	9.7
163.11159	1.1
164.08311	1.1
173.09610	0.5
173.13281	3.4
175.11229	1.2
176.96950	0.6
177.05614	0.4
177.09131	0.6
177.12778	6.7
179.10693	1.1
181.08621	12.4
183.11725	0.9
186.10437	0.4
189.12727	0.8
191.10728	0.5
191.14313	2.6
192.06613	1.9
193.12250	5.7
195.13831	0.6
201.12744	2.6
201.16409	0.6
219.10222	0.7
219.13835	7.1
219.17416	1.1
237.14864	100.0
238.15294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03929	0.4
55.01857	0.7
55.05501	0.8
57.03415	0.5
57.07083	2.1
59.05009	1.9
67.05510	2.4
69.03410	0.7
69.07088	1.5
70.66331	0.6
70.66645	0.5
71.05014	1.7
71.05335	0.3
79.05487	2.5
81.07064	5.6
83.01319	0.5
83.04983	3.4
83.08611	0.6
84.08087	0.4
85.02908	5.0
85.06521	1.4
91.05479	4.5
93.06499	0.6
93.07046	8.1
95.04971	4.9
95.08630	2.4
97.06531	2.7
99.04463	3.9
103.05457	0.5
105.03398	0.5
105.07034	4.5
107.04955	0.6
107.08601	5.5
109.06523	11.7
109.10153	1.5
111.04435	0.6
111.08092	1.7
115.05435	0.6
115.96445	0.4
117.07014	2.9
117.33772	0.3
119.08587	4.6
121.05694	0.4
121.06515	8.3
121.10130	3.6
123.08028	1.3
125.06001	0.7
125.09612	0.8
129.06993	1.4
130.07726	0.5
131.08575	5.3
133.06483	0.4
133.10123	3.4
135.08052	8.5
135.11636	2.1
137.05986	7.6
137.09564	0.9
138.06750	0.3
139.07547	3.6
143.08540	1.1
144.09337	3.7
145.06476	0.9
145.10078	1.4
147.11638	0.6
149.02295	1.0
149.09663	1.6
149.13251	1.7
151.07547	2.5
153.09120	1.7
155.08615	0.3
157.10123	1.3
158.10841	0.4
159.08078	0.5
159.11705	18.8
161.09615	2.3
163.07558	9.3
163.14775	0.5
164.08299	1.1
173.13249	2.2
175.11122	0.8
177.09187	0.8
177.12737	6.6
179.08517	0.5
179.10703	0.8
180.09340	0.5
181.08603	12.8
181.10066	0.5
183.78482	0.3
189.08904	0.4
189.12730	0.5
191.08571	0.4
191.14290	1.2
192.06546	1.0
193.04951	0.6
193.10107	1.0
193.12090	0.5
194.10950	0.4
195.11652	1.2
195.13676	0.4
201.12692	1.8
201.16354	0.4
207.11655	1.2
208.12463	0.7
209.13237	1.0
219.11838	0.5
219.13815	7.5
219.17407	0.4
222.14015	1.7
237.14818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1234
Annotation	Phe Ala
Peak:m/z	Relative Intensity
53.56850	0.5
55.05510	0.8
57.03431	0.5
57.07078	1.0
60.04520	0.4
65.76868	0.4
67.05498	2.0
69.07068	1.4
70.06596	1.2
71.05013	0.5
71.51714	0.6
72.08148	0.7
74.02437	1.1
74.33485	0.4
77.30321	0.4
79.05491	1.5
81.03401	0.7
81.07053	1.9
83.04961	0.9
83.08646	0.6
84.08145	1.1
85.06522	0.6
86.09709	0.9
91.05479	1.8
93.07053	3.6
95.04959	0.7
95.08620	1.7
97.06525	0.6
103.05473	5.0
105.03401	1.0
105.07063	1.3
107.04933	0.8
107.08609	1.4
109.06557	0.7
109.10155	1.1
117.06978	0.6
118.06554	0.7
119.08573	0.9
120.08115	100.0
121.06508	0.6
121.10082	0.6
125.09624	0.5
129.10266	0.5
131.04964	0.9
133.10152	0.6
135.01311	0.4
135.11681	0.7
137.06091	0.5
146.06013	5.9
146.09659	1.4
148.03966	0.8
148.07591	0.6
149.02295	0.7
149.05994	0.7
149.13283	0.5
159.11754	0.6
163.03918	0.9
164.07077	2.6
165.03484	1.3
177.05437	0.5
191.08521	1.3
192.06598	1.9
192.10199	1.7
213.94104	0.6
219.06654	0.6
226.26997	0.4
236.95605	0.4
237.08907	1.7
237.12399	4.1
237.14935	2.1
237.22169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
51.93198	2.0
53.03938	4.7
55.01640	2.4
55.01876	33.9
55.05513	20.8
57.03422	8.4
57.07064	5.0
58.52260	2.0
59.04974	3.4
65.03920	5.0
67.05504	38.4
68.99796	2.3
69.03417	5.9
69.06743	3.6
69.07074	46.5
70.06621	2.1
70.28693	4.5
70.29057	3.9
71.05001	24.6
71.08603	2.5
73.02908	3.8
77.37238	2.2
79.05025	2.3
79.05497	46.9
81.03413	3.8
81.07063	82.3
83.04977	26.9
83.08618	14.2
85.02889	11.7
85.06533	5.0
87.04483	2.8
91.05492	22.8
93.06493	2.5
93.07044	40.5
95.04972	76.9
95.07995	2.2
95.08608	40.9
97.06538	52.6
99.04420	6.4
99.08051	6.2
103.05427	5.4
105.03396	2.9
105.06398	2.8
105.07030	29.2
107.04955	18.4
107.08600	38.1
109.06528	24.3
109.10168	19.6
111.04451	13.2
111.08050	8.4
113.05983	5.5
113.09621	3.2
115.05409	3.1
117.07024	17.4
119.04951	2.0
119.08607	18.2
121.06508	36.5
121.10138	25.0
123.08074	43.8
123.11688	7.4
125.05972	8.8
125.09601	5.9
127.07555	5.0
129.06970	5.0
131.04945	2.4
131.08588	17.9
133.06471	6.4
133.10159	16.2
135.04347	2.5
135.08057	23.8
135.11697	10.9
136.08797	6.3
137.05940	6.6
137.09631	11.6
139.07552	10.3
139.11140	2.7
142.07773	2.7
143.08493	3.8
145.10132	12.7
147.08014	3.2
147.11678	15.5
149.02356	11.9
149.05923	5.8
149.09590	8.6
149.13237	9.4
151.07535	3.8
151.11211	4.2
153.09123	3.8
155.08554	4.2
157.10110	6.7
159.08067	4.7
159.11703	18.0
161.09616	7.9
163.07544	10.6
163.11134	6.2
163.14777	6.3
165.12816	3.6
167.14220	4.8
173.09500	2.6
173.13274	17.9
175.11119	6.8
176.96945	3.6
177.09149	4.6
177.12738	16.6
179.10674	19.7
181.08566	7.9
181.12274	2.4
183.11705	4.7
191.14319	19.5
192.06505	10.4
193.04970	8.3
193.12267	88.4
194.12595	2.0
195.13757	15.8
201.12766	16.9
201.16312	2.9
209.15407	2.4
213.94154	2.3
219.13808	57.4
219.17218	2.6
225.62866	1.9
237.07526	13.5
237.12935	4.6
237.14819	100.0
237.18556	5.3
237.22052	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	237.0871
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
55.05507	0.7
57.07075	0.6
67.05506	0.7
69.07061	0.9
69.18798	3.3
74.02454	6.1
79.05496	0.6
81.07047	1.1
83.04961	0.8
85.67992	0.3
91.05470	1.1
93.07041	1.2
94.06574	8.4
95.04993	0.5
95.08601	1.1
97.06512	0.5
97.45425	0.4
98.21525	0.7
98.97584	0.4
99.00830	1.9
103.05482	0.5
104.04997	1.4
105.03384	0.7
105.07043	0.8
107.08592	0.7
109.06511	0.5
110.06049	0.5
116.98636	0.3
118.06552	9.6
119.06699	0.3
119.08630	0.4
120.04469	3.4
120.08110	5.3
121.06499	0.4
121.10118	0.5
124.43992	0.3
125.09681	0.3
128.04973	3.5
129.10281	0.3
130.06532	1.7
131.04887	0.3
131.08443	0.3
132.04453	3.0
135.11746	0.4
136.06548	0.7
136.07591	14.7
146.06020	100.0
148.03946	4.7
149.02399	0.6
150.05528	3.8
156.04510	0.6
156.06798	0.4
157.07588	0.6
158.06038	1.9
163.03966	0.4
164.02628	1.0
164.07085	2.5
165.03452	0.5
166.08670	3.6
173.07175	0.7
174.05518	13.3
177.05447	0.6
191.03700	1.2
191.08234	5.0
192.06573	11.0
202.05005	4.6
213.94125	0.7
219.05858	0.8
219.07954	1.7
220.06064	5.4
220.07982	0.6
237.04156	0.9
237.06743	0.6
237.08821	8.1
237.12529	0.8
237.14891	1.4
237.22089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
57.02365	0.5
57.07074	1.0
58.02962	0.6
67.05499	1.4
69.03401	0.7
69.07047	1.3
70.06593	0.9
71.51454	0.7
72.08143	0.5
74.02447	6.7
79.05486	1.2
81.07049	1.9
83.04966	0.6
83.08611	0.7
84.08126	0.8
85.02962	0.8
85.06530	0.6
91.05473	2.5
93.07041	1.8
94.06573	7.9
95.04948	0.8
95.08607	1.7
99.00826	2.3
103.05467	1.1
104.04999	1.3
105.03404	1.1
105.07029	0.7
107.08625	1.4
109.10142	0.6
110.06063	0.6
113.08414	0.5
116.07080	0.6
117.05735	0.5
118.06548	10.7
119.08659	0.6
120.04493	4.2
120.08112	21.9
121.10117	1.0
122.06003	0.6
128.04964	3.2
129.10193	0.6
130.06535	1.3
131.04973	0.8
131.08588	0.6
132.04451	3.1
133.10086	0.6
135.08119	0.8
135.11716	0.6
136.07582	14.3
139.11121	0.5
146.06018	100.0
147.06444	0.6
148.03922	4.4
149.05994	0.8
149.13293	0.7
150.05544	3.9
157.07588	0.8
158.06021	1.9
163.08661	0.6
164.07101	2.4
165.03400	0.7
166.08650	17.9
173.07191	0.6
174.05522	14.0
176.96890	0.5
177.09123	0.5
191.08194	4.4
191.11844	1.6
192.06566	13.2
201.12872	0.6
202.04964	6.4
219.03148	0.5
219.05885	1.4
219.07712	2.3
219.13824	0.6
220.06042	5.9
237.08853	7.2
237.12440	2.1
237.14902	1.8
237.22102	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	236.1644
Annotation	Huperzine W
Peak:m/z	Relative Intensity
53.03933	0.9
55.05509	9.4
56.05014	1.9
57.07077	12.2
58.02936	1.0
61.61289	0.8
67.05492	2.4
67.18970	1.0
69.07057	2.8
69.66544	0.8
70.06590	1.4
70.59486	0.8
79.05476	3.9
81.07056	11.2
83.08617	5.9
83.63454	1.0
91.05482	3.7
93.07065	11.1
95.04957	2.5
95.08598	4.5
97.06512	1.1
104.07099	2.5
105.07023	3.4
106.06559	1.1
107.08588	2.4
108.08101	3.3
109.06496	6.3
109.10176	1.2
110.09642	2.0
111.08035	1.2
117.07008	1.6
118.38451	1.0
119.08560	3.3
120.08112	17.4
121.06487	1.8
121.10151	1.3
122.09624	3.6
123.06722	1.1
131.08522	1.6
132.08025	1.1
133.10199	2.0
134.09650	14.1
135.10420	3.5
136.07559	4.2
137.05968	1.6
138.09096	3.5
142.75435	1.0
145.08778	1.5
146.09622	3.4
147.06767	4.3
148.07550	8.5
148.11226	7.1
149.11980	3.7
150.09169	1.2
154.08632	2.4
159.11684	3.2
160.11180	3.3
161.11958	5.5
162.09157	19.3
163.09929	34.2
163.13503	1.3
166.08644	15.2
167.09373	2.3
168.10132	1.5
174.12703	1.4
175.14845	1.8
176.10756	2.6
176.14348	100.0
178.12305	5.4
180.10226	3.7
188.10718	5.5
189.11328	1.5
190.15918	5.5
191.16693	25.0
194.11644	1.1
202.12193	2.5
203.13025	3.3
204.13779	9.0
219.16145	9.1
221.04573	0.9
236.16460	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
53.03934	2.2
54.30502	1.3
55.01865	2.2
55.05518	7.9
56.41742	1.6
57.07069	5.8
59.05008	2.1
67.05515	10.0
69.03423	4.5
69.07073	12.1
69.32919	1.4
70.33749	1.3
71.04993	7.3
71.15043	1.9
71.15354	1.9
79.05508	7.7
81.07066	13.6
83.04960	3.2
83.08611	4.8
85.06535	4.4
91.05482	15.5
93.07044	15.4
95.04970	7.5
95.08600	15.6
97.06525	3.7
105.07042	28.1
107.08595	31.9
109.06513	7.5
109.10165	14.1
111.08067	3.8
117.07035	4.8
119.08586	93.4
121.06496	3.3
121.10154	13.2
123.08102	3.3
123.11686	4.2
128.06229	1.5
129.07022	4.8
131.08577	14.1
133.06494	2.2
133.10132	45.6
135.08047	17.7
135.11710	8.2
137.09636	6.9
142.07750	2.0
143.08566	8.9
144.09393	1.7
145.10130	15.7
146.07227	1.9
147.08054	5.0
147.11691	20.0
149.09634	4.9
151.11201	9.1
155.08635	1.5
156.09329	2.6
157.10132	12.8
158.10899	2.4
159.11705	11.5
160.08865	3.7
161.09628	62.9
161.10971	3.6
161.13184	3.6
165.36301	1.9
170.10907	2.0
171.11673	9.7
173.13266	21.3
175.11209	13.9
175.14841	19.6
177.12767	5.9
179.10614	9.9
184.12534	2.1
187.11267	1.9
187.14827	5.9
189.12704	1.7
189.16386	21.9
191.14305	2.5
193.15965	3.5
199.14783	12.3
202.13635	3.5
217.15884	100.0
217.48401	1.5
234.65794	1.6
235.16937	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
52.10954	1.3
53.03935	2.2
55.01864	1.6
55.05510	7.1
57.07088	7.4
59.04997	3.7
63.81139	1.4
67.05516	9.4
67.31750	1.2
69.03410	4.4
69.07069	11.7
70.76273	4.5
71.04987	6.2
79.05483	7.5
81.07052	13.2
83.08604	4.1
85.06546	3.7
91.05485	13.6
93.07045	15.5
95.04980	7.9
95.08607	17.0
97.06518	3.2
105.04559	1.6
105.07036	32.2
107.08607	33.6
109.06525	7.7
109.10162	14.3
111.08058	4.4
115.05490	1.5
117.07018	5.2
119.08587	89.9
121.06479	2.4
121.10144	18.8
123.08028	5.5
123.11693	4.9
129.07037	2.6
131.08572	14.2
133.10136	48.7
135.08081	14.8
135.11667	9.6
137.09616	6.8
142.07816	2.5
143.08580	12.7
144.09286	1.7
145.10143	16.2
147.08032	7.7
147.11684	17.5
149.09612	2.5
149.13200	2.2
151.11188	9.0
156.09351	2.6
157.10144	11.7
158.10941	3.1
159.11710	13.6
160.08875	2.5
160.12457	2.0
161.09631	67.8
161.13251	2.6
169.10301	1.7
171.11699	7.6
173.13274	21.3
175.11197	14.8
175.14851	17.9
177.12727	6.9
179.10721	12.4
184.12459	1.9
187.11237	2.5
187.14844	5.6
189.12735	1.7
189.16399	21.0
193.15901	4.7
199.14853	14.5
202.13533	2.4
217.15892	100.0
235.16928	76.0
235.19354	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	235.1694
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
52.67054	0.7
53.03934	1.6
53.81668	0.7
55.01868	4.4
55.05512	8.5
57.03424	1.9
57.07078	14.6
58.34477	0.6
58.96107	0.8
59.04990	2.1
65.03945	1.6
67.05507	29.2
69.03084	0.8
69.03429	9.7
69.07069	16.3
70.61625	1.6
71.04990	4.5
71.08632	1.6
77.03922	1.0
79.05499	23.1
81.03423	0.9
81.07058	43.2
83.04987	8.1
83.08616	5.6
85.02308	0.7
85.02889	1.0
85.06552	6.6
85.10194	1.3
86.09715	0.7
87.04431	0.8
91.05488	19.1
93.07049	30.2
95.04960	7.4
95.08612	39.1
97.02899	0.8
97.06533	45.7
97.10154	2.5
99.04476	1.3
99.08086	3.1
105.03391	0.9
105.07031	28.5
107.04943	2.9
107.07874	1.4
107.08598	26.2
109.02879	1.5
109.06514	8.9
109.10159	26.7
111.04424	5.9
111.08077	4.5
111.11732	0.8
113.06006	1.8
113.09604	1.9
115.05426	0.9
117.07016	3.1
119.04991	1.1
119.08584	29.7
121.06506	5.0
121.10147	36.0
123.04412	1.0
123.08069	9.5
123.11727	9.3
125.05993	14.2
125.09634	2.1
126.29292	0.6
127.11215	2.0
128.06216	2.1
129.07021	2.4
131.08585	7.1
131.46802	0.6
133.06490	1.7
133.10133	30.0
135.08061	6.9
135.11699	15.9
137.05908	2.6
137.09605	5.4
137.13237	3.7
139.07530	3.5
139.11191	16.0
142.07793	1.7
143.07047	2.6
143.08549	6.0
145.06422	0.7
145.10101	4.7
147.04376	0.8
147.08054	7.0
147.11694	16.9
149.09622	5.1
149.13246	5.8
151.07565	1.5
151.11182	11.2
151.14828	2.3
153.05492	5.2
153.12775	1.0
155.10635	1.2
156.09305	1.4
157.10124	4.9
159.11713	5.9
161.09625	12.0
161.13266	10.1
163.11235	0.9
163.14789	2.3
165.09120	1.0
165.12822	1.5
171.11700	4.4
173.13266	7.4
175.07574	1.1
175.11197	6.4
175.14841	10.9
177.09163	0.9
177.12724	2.3
177.16290	1.2
179.07104	1.3
179.10664	10.8
187.91045	0.7
189.12788	4.5
189.16379	10.3
191.14307	17.7
191.17976	2.1
193.12236	3.4
193.15910	1.2
199.11168	1.3
199.14806	6.4
203.10843	1.1
207.17471	1.3
217.08766	0.8
217.12389	5.3
217.15935	17.1
217.19485	23.0
235.13399	15.4
235.16936	100.0
235.20494	35.1
236.17270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03851	0.4
55.01878	0.6
55.05510	1.6
57.07082	3.8
59.05015	3.5
67.05511	3.3
69.07070	1.7
69.85236	1.7
70.02960	1.9
70.03280	0.4
70.26875	0.3
72.04528	10.4
73.02932	1.6
75.04479	1.6
76.67239	0.4
83.04984	2.5
85.06554	7.4
86.09707	1.0
87.04475	5.4
87.08090	0.7
88.04008	11.2
89.06049	0.7
90.05564	2.2
95.04976	3.7
96.08143	0.7
98.02422	4.6
100.03991	1.3
101.06009	0.6
103.07595	3.5
104.07117	100.0
111.04465	2.7
112.07652	0.5
113.06007	1.6
114.05540	1.6
116.03465	3.0
116.98560	0.4
124.07614	7.2
126.65140	0.4
130.05028	5.2
131.07045	1.1
132.10251	0.5
142.08658	3.1
155.07022	3.0
160.09732	1.6
166.08636	1.0
170.11772	0.7
173.08098	3.5
174.11316	1.6
184.09694	5.8
198.11266	4.5
199.09714	0.7
202.10764	11.2
216.12349	12.3
217.10727	8.5
234.07668	0.5
234.13385	20.2
246.62898	0.4
254.75061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
55.59084	0.5
57.07081	3.6
59.05006	3.2
64.24551	0.4
67.05506	3.7
69.07069	2.0
69.43622	3.4
70.02963	1.3
72.04520	12.5
73.02904	1.2
75.04484	1.6
76.75857	0.5
83.04998	1.2
85.06544	7.8
86.09723	0.8
87.04471	5.4
87.08147	0.8
88.03996	11.1
90.05555	1.8
95.04969	4.0
96.08125	0.6
98.02428	4.4
99.64313	0.4
100.03977	0.7
103.07594	4.3
104.07111	100.0
112.07629	0.4
113.06023	2.0
114.05543	1.2
116.03476	3.1
119.32275	0.5
124.07605	6.8
130.05031	4.8
131.07036	1.4
135.60550	0.4
142.08638	2.6
155.07094	0.6
160.09712	1.7
166.08679	0.9
170.11797	0.6
173.08121	1.3
174.11264	1.8
184.09712	5.6
198.11275	3.3
202.10738	10.8
216.12326	11.6
217.10724	2.4
234.13380	20.3
234.15756	1.0
234.77196	0.5
251.23859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
51.02382	0.4
53.03958	1.7
55.01865	0.4
55.05265	0.4
55.05516	3.8
56.96556	1.2
57.07082	2.0
59.04990	0.6
65.04935	0.3
67.05248	0.3
67.05515	3.8
69.03439	4.5
69.07083	1.9
69.11252	0.3
70.16470	1.4
71.05012	1.7
72.16233	0.3
77.03922	0.8
79.05501	37.3
81.03438	0.4
81.07069	4.7
83.04980	2.0
83.08626	3.7
85.02880	0.4
85.06548	2.6
91.05491	5.6
93.06573	0.4
93.07053	5.2
93.99784	0.3
95.04980	4.9
95.08624	3.2
96.67482	0.3
97.06530	1.0
97.69589	0.3
103.05452	0.6
105.04536	0.8
105.07040	10.4
107.04964	39.4
107.08604	8.7
109.06532	1.6
109.10151	4.7
111.04424	1.1
111.08091	3.6
113.06009	1.2
116.06227	0.6
117.07017	4.0
119.04948	0.6
119.08596	8.6
121.06546	2.4
121.10144	6.6
123.08067	1.6
123.11707	1.2
125.09632	2.3
129.07019	1.7
130.07773	0.9
130.51497	0.4
131.08580	11.6
133.06490	1.2
133.10146	5.6
135.08052	1.6
135.11681	0.7
137.09645	1.8
139.07559	1.1
139.52054	0.6
142.07780	0.9
143.08536	1.6
144.05724	0.4
144.09331	0.7
145.06497	0.9
145.10141	12.4
146.10922	0.6
147.08072	0.8
147.11705	7.8
149.05965	0.7
149.09634	7.5
149.13234	2.2
150.10422	0.5
151.07556	0.5
153.09050	0.6
155.08528	1.0
156.09354	1.2
157.10139	3.2
158.10913	1.4
159.08055	2.2
159.11699	5.7
160.08826	0.7
161.09647	0.9
163.07576	0.9
163.11206	1.2
166.00998	0.6
167.55229	0.4
169.10127	1.0
171.04329	0.5
171.11728	1.2
172.12457	0.7
173.09639	3.4
173.13300	5.5
175.01561	0.7
175.07620	0.6
175.09785	0.6
175.11217	7.6
176.55693	0.6
177.09120	3.5
180.00748	0.6
182.10919	1.3
182.55151	0.5
186.18565	0.6
187.11186	0.9
187.14807	5.1
189.05501	2.1
189.12770	1.7
191.10669	1.3
191.14325	45.8
191.30008	0.4
191.55623	0.5
197.13307	2.0
198.01871	0.8
198.06029	3.4
198.56287	0.4
200.56302	1.0
201.12785	0.6
205.15886	1.5
209.56796	1.8
215.10689	0.8
215.14308	4.4
219.28351	0.4
233.15382	100.0
234.15631	0.8
234.20676	0.5
253.83858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03935	0.5
54.77277	0.3
55.01869	0.3
55.05502	0.9
57.07062	1.2
59.04990	0.4
65.03938	0.3
67.05185	0.3
67.05512	3.8
69.03433	3.4
69.07049	1.5
70.27345	1.0
71.04978	0.4
79.05083	0.4
79.05499	5.2
81.03417	0.3
81.07059	3.1
83.04964	0.8
83.08614	0.6
85.06533	1.3
91.05482	4.6
93.07043	3.2
95.04967	4.1
95.08617	1.6
97.02888	0.4
97.06551	0.4
97.32997	0.3
99.08128	0.3
104.06356	0.3
105.07036	7.1
107.04955	5.4
107.08597	4.8
109.06519	3.2
109.10151	1.1
111.04448	0.4
111.08103	0.6
115.05461	0.7
116.06206	0.6
117.07023	2.7
119.08585	8.2
120.08108	0.6
121.06507	6.9
121.10190	2.5
123.04433	0.8
123.08056	1.1
123.11689	0.5
125.09637	0.4
128.06194	0.3
129.06978	1.3
130.07797	0.5
131.08571	11.0
133.06509	1.3
133.10118	3.2
135.08049	2.0
137.09581	0.7
141.06970	0.7
142.07774	0.8
143.08568	2.1
144.05666	0.3
144.09344	0.9
145.06468	0.8
145.10124	10.0
147.08034	2.4
147.11688	1.9
149.02353	0.4
149.05908	0.3
149.09624	5.2
149.13248	0.6
155.08560	1.6
156.09357	2.0
157.10126	4.0
158.07280	0.4
158.10907	1.2
159.08069	8.0
159.11697	3.7
160.08760	0.5
161.09598	0.7
161.13214	0.8
163.11206	0.6
167.08572	2.2
169.10141	2.0
171.11678	3.1
172.08760	0.3
172.12451	1.3
173.09633	3.2
173.13275	6.6
174.10402	0.4
175.11176	1.9
175.12666	0.2
175.12975	0.2
177.09096	2.0
182.10913	5.3
185.09650	1.1
186.45729	0.3
187.07594	0.6
187.11169	1.2
187.14821	5.8
189.06969	0.3
189.12772	2.4
189.19612	0.3
191.08655	0.3
191.10600	0.5
191.14320	5.1
197.13272	11.2
200.12019	1.7
205.12158	0.3
205.16029	0.5
215.14323	26.0
217.10867	0.4
218.07198	0.8
233.15367	100.0
234.10281	0.7
234.15701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
53.03950	1.5
55.01871	1.7
55.05502	2.6
56.25946	0.7
57.03427	1.2
57.07062	1.5
59.05000	1.3
65.03947	0.8
67.05499	7.8
69.03425	4.7
69.07073	8.9
71.04983	1.5
71.52509	1.1
79.05499	20.1
81.07055	5.7
83.04988	1.9
83.08621	3.4
84.38028	0.6
85.06548	1.8
91.05486	8.4
93.07045	7.6
95.04971	22.2
95.08606	7.0
97.06528	4.5
98.74207	0.8
103.05464	1.0
105.07036	10.1
107.04962	18.4
107.08602	10.0
109.06516	5.3
109.10167	10.8
111.04447	0.8
111.08070	3.9
113.05952	1.0
113.09641	1.9
115.05469	0.9
117.07007	3.3
119.04979	1.2
119.08586	14.5
121.06504	6.6
121.10138	10.6
122.07300	2.3
123.04427	0.9
123.08063	4.6
123.08826	0.8
123.10634	0.7
125.09641	1.9
129.07005	1.3
130.07861	0.8
131.08566	12.3
133.06496	1.7
133.10150	7.6
134.10841	0.7
135.08043	6.5
135.11688	2.5
137.09625	28.7
138.10378	2.7
141.06961	1.3
143.08554	2.4
144.09474	0.7
145.06453	1.8
145.10121	9.1
147.08031	0.9
147.11714	9.4
147.57123	0.6
149.06026	1.1
149.09636	10.6
149.13269	1.9
151.11134	1.1
153.09195	0.9
155.08536	1.0
156.09395	1.2
157.10143	4.3
158.07312	0.9
158.10905	1.4
159.08070	5.9
159.11697	3.6
161.13223	1.9
163.07518	2.1
163.11153	2.3
163.14845	1.0
171.11708	2.5
172.12437	1.3
173.09663	2.2
173.13254	12.5
175.11182	5.8
177.09105	6.2
182.10901	1.1
187.11223	1.7
187.14774	6.7
189.12750	2.8
191.14316	30.9
197.13268	2.7
203.08524	1.4
205.15868	9.1
215.14348	7.6
218.10893	1.7
232.84183	0.7
233.13379	5.0
233.15359	100.0
239.61055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
51.44123	0.2
53.03939	0.4
55.05511	1.3
57.03439	0.4
57.07090	1.4
59.05005	0.4
65.03932	0.3
67.05507	4.2
69.03434	3.5
69.07078	1.5
69.60604	0.2
70.06543	0.3
70.25608	0.7
71.04980	0.5
79.02411	0.2
79.05497	4.0
79.19532	0.2
81.03415	0.4
81.07053	4.4
83.04985	1.2
83.08637	1.1
85.06551	1.8
86.09681	0.5
91.04915	0.3
91.05483	4.9
93.06495	0.3
93.07043	4.2
95.04974	4.2
95.08611	3.4
97.06522	0.8
99.08092	0.3
103.05412	0.3
105.07035	6.4
107.04955	2.8
107.08598	4.9
109.06522	3.0
109.10141	1.4
111.04462	0.4
111.08091	0.6
115.05436	0.7
116.06226	0.6
117.07010	2.4
119.04937	0.4
119.08585	8.7
120.08089	0.8
121.06505	7.4
121.10141	3.2
123.04431	0.7
123.08074	1.5
123.11673	0.5
125.09586	0.3
128.06201	0.4
129.06995	1.3
130.07777	0.7
131.08566	10.8
133.06499	1.2
133.10120	3.7
135.04410	0.3
135.08057	2.5
135.11674	0.9
137.05908	0.4
137.09602	0.8
137.13226	0.3
141.06987	0.6
142.07793	0.7
143.08556	1.6
144.05725	0.4
144.09338	0.6
145.06461	0.8
145.10132	10.9
146.10936	0.3
147.08064	1.8
147.11685	2.1
149.09624	6.6
149.13271	0.3
151.07478	0.2
154.07764	0.3
155.08559	2.0
156.09357	1.6
157.10139	3.7
158.07317	0.4
158.10884	1.3
159.08054	8.6
159.11696	3.6
160.08766	0.3
161.09636	0.9
161.13249	2.0
163.07591	0.2
163.11218	0.9
163.14810	0.5
167.08568	2.3
168.09337	0.4
169.10149	1.6
171.11707	2.9
172.08786	0.4
172.12476	1.5
173.09627	4.5
173.13280	5.7
174.10429	0.5
175.11180	2.0
177.00497	0.2
177.09117	2.0
179.14322	1.0
181.10219	0.4
182.10921	5.2
185.09628	1.0
185.13289	0.3
186.10358	0.4
187.11275	1.4
187.14819	6.3
189.12750	2.4
191.10661	0.6
191.14302	3.0
197.13266	11.3
199.11232	0.3
200.11963	1.9
205.12271	0.4
205.15897	1.5
215.07127	0.4
215.10825	0.7
215.14316	24.5
217.10724	0.3
233.07956	1.5
233.15366	100.0
234.15683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.39491	0.5
53.03946	1.0
55.01880	1.2
55.05513	3.1
55.93016	0.6
56.40818	0.6
57.03436	0.8
57.07075	2.5
62.08583	0.6
65.03944	0.7
67.05504	7.6
69.03436	14.6
69.03821	0.8
69.07079	3.3
70.28316	1.3
71.05006	1.3
79.05497	14.8
81.07058	11.7
83.04991	2.3
83.08627	2.5
85.06541	2.5
91.04910	0.8
91.05481	15.4
91.06020	1.0
93.07045	10.8
95.04973	29.5
95.08617	4.1
97.06530	1.3
98.97595	1.8
99.04463	0.6
103.05461	1.5
105.07034	16.2
107.04958	11.9
107.08596	15.1
107.62291	0.5
109.02913	1.6
109.06521	7.3
109.10165	6.6
111.04485	2.7
111.08099	1.6
113.06036	0.8
114.20393	0.6
115.05473	1.6
116.06194	0.8
117.07013	4.5
119.08587	100.0
120.08871	0.6
121.06509	5.5
121.10152	16.2
123.08050	3.9
123.11708	6.2
128.06262	1.2
129.07002	2.7
130.07797	2.1
131.08575	16.6
133.06511	7.5
133.07524	1.1
133.10133	11.1
135.08054	4.2
135.11714	0.8
137.09641	2.0
141.06996	1.4
142.07796	1.9
143.08542	3.7
144.09354	1.1
145.06517	2.2
145.10135	16.8
145.11311	0.9
147.08060	3.2
147.11707	5.1
149.05934	0.7
149.09630	10.4
151.07567	0.7
151.11160	1.7
154.07745	0.7
155.08554	2.8
156.09367	3.7
157.10147	7.8
158.07355	0.7
158.10924	2.1
158.99683	1.3
159.08090	6.5
159.11699	6.0
160.08836	1.0
161.09634	1.4
161.13255	2.1
163.11182	1.2
163.14810	0.7
167.08533	3.2
169.10112	3.2
171.11668	5.1
172.12572	0.8
173.09636	5.6
173.13257	11.5
174.10362	1.1
175.11230	4.7
177.09106	3.9
182.10915	7.1
185.09764	0.7
185.13271	0.5
186.10455	0.7
187.11227	1.8
187.14828	9.3
189.12766	8.8
191.10631	1.5
191.14307	13.4
197.13249	10.5
200.11993	1.6
205.10205	1.0
205.15958	1.9
215.14319	19.4
215.17653	0.7
233.09492	1.1
233.11707	2.4
233.15366	66.8
234.15639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Torreyal
Peak:m/z	Relative Intensity
53.03945	1.0
55.01875	5.6
55.05520	3.9
56.96557	0.8
57.07079	1.2
59.04995	0.7
59.74899	0.6
67.05508	11.2
69.03436	3.0
69.07079	7.3
70.92035	1.4
71.04699	0.6
71.05002	5.9
79.05492	8.4
81.07053	8.6
83.05004	1.9
83.08636	1.8
84.05215	0.7
91.05473	6.4
93.07048	8.5
93.65826	0.7
95.04972	100.0
95.08614	9.4
96.05764	1.1
97.06535	10.0
103.05501	0.9
105.07033	10.0
107.04953	2.5
107.08601	10.7
109.06522	28.9
109.10163	13.9
110.07355	0.6
111.08091	6.2
113.06053	1.5
117.07011	2.6
119.04963	1.4
119.06165	0.7
119.08582	12.4
121.06506	3.9
121.10144	13.3
122.07314	3.6
123.08085	7.5
123.11654	0.8
124.08861	1.3
129.06999	2.2
130.07814	0.7
130.75320	0.6
131.08566	8.9
133.10165	6.5
135.08057	6.9
135.11693	4.4
137.09625	30.5
138.10396	3.1
139.07555	1.5
141.07042	0.7
142.07823	1.3
143.08577	2.4
145.06538	1.0
145.10136	11.9
147.08031	3.2
147.11694	10.3
148.08835	0.8
149.09642	9.4
149.13242	1.4
151.11205	8.9
155.08615	1.5
156.09312	0.8
157.10168	2.4
158.10873	3.2
159.08032	2.6
159.11700	5.0
161.09631	2.2
161.13277	3.3
162.10390	2.2
163.07585	1.9
163.11174	5.3
163.14912	0.9
164.08363	0.9
169.09981	1.1
171.11693	2.8
172.12509	1.4
173.09637	3.3
173.13252	11.0
175.11230	4.8
177.09216	3.7
177.12677	1.1
182.10962	1.5
182.59671	0.7
187.11197	1.5
187.14822	5.3
189.12753	3.0
190.09869	2.6
191.10674	1.7
191.14294	6.4
197.13289	1.8
203.10675	1.0
205.15872	5.2
215.14288	5.1
233.11627	2.8
233.15370	64.8
233.17116	2.5
233.25768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03945	1.7
55.05516	6.3
57.07062	2.2
59.04988	1.0
66.86292	0.8
67.05511	9.3
69.03415	1.9
69.07070	5.6
71.05006	1.2
73.02992	0.8
75.12697	0.8
79.05496	9.9
81.06594	1.8
81.07063	29.4
83.05000	1.1
83.08620	1.6
91.04920	0.9
91.05486	18.5
93.06481	1.4
93.07050	18.2
95.04969	4.9
95.08620	21.3
97.06528	1.1
97.10158	1.2
102.54208	0.8
103.05483	1.9
105.07040	35.9
107.04961	2.3
107.08598	18.9
109.06528	2.5
109.10152	7.7
111.04507	0.9
111.08092	1.4
115.05421	0.8
116.06234	0.9
117.07043	8.6
119.04974	1.6
119.07813	1.4
119.08593	18.8
119.27295	0.7
120.86473	0.7
121.06519	7.4
121.10146	7.8
123.08071	2.0
123.11715	0.8
125.05944	1.4
127.82593	0.8
129.06979	2.1
130.07809	1.0
131.08580	37.0
133.06496	2.2
133.10136	12.2
135.08075	3.8
135.11681	3.2
137.05983	4.3
139.07539	3.6
142.07788	1.0
143.08572	3.0
145.06485	2.2
145.10136	36.4
147.08035	1.3
147.11700	8.3
149.05988	1.6
149.09625	2.2
149.13231	1.2
151.07516	2.9
151.11157	0.8
155.08563	3.2
157.10129	3.3
158.10930	1.5
159.08076	5.8
159.11705	15.8
161.09674	1.2
161.13264	13.0
163.07561	5.7
167.08611	1.1
169.10123	2.7
171.11682	2.2
172.12523	1.1
173.09625	2.8
173.13284	3.0
177.09125	12.2
178.06299	1.1
182.10886	2.5
184.65642	0.8
185.13298	1.3
187.11217	2.8
187.14838	100.0
189.16374	2.1
191.10666	2.8
191.14311	2.2
197.13249	9.4
205.15895	5.7
215.14337	26.0
233.11642	2.7
233.15376	73.6
233.19070	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	233.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	1.2
71.37086	2.3
72.08155	6.5
76.66855	1.0
78.95625	2.7
81.07057	1.1
84.04504	1.6
84.08146	2.1
86.06051	1.3
86.09698	3.3
94.93013	8.6
97.77455	1.1
101.00824	1.0
109.58363	1.0
116.08202	2.6
118.08634	6.4
119.01912	1.6
161.02974	1.2
190.91168	4.0
232.92267	2.7
233.04459	5.4
233.06329	100.0
233.15181	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	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05043	16.0
57.03446	2.4
58.06604	3.0
69.03449	0.5
70.06599	0.9
71.51480	0.7
72.08168	0.7
72.50665	0.4
74.06088	100.0
81.07075	0.4
83.04995	0.7
84.04520	3.4
84.08128	0.5
85.02937	0.8
86.09715	21.0
91.05486	1.3
91.70506	0.4
93.07019	0.5
95.08657	0.5
98.04574	0.3
101.06039	0.4
101.07153	1.7
105.03419	0.6
105.07063	0.8
109.10152	0.4
111.04429	0.5
116.98695	0.4
119.01933	0.8
119.08593	0.6
121.06567	0.4
131.00629	0.4
131.08542	0.5
132.10216	17.5
133.06487	0.4
142.12267	1.0
143.01740	0.4
143.11832	0.5
145.10191	0.4
157.09985	0.4
157.99104	1.1
159.08096	0.6
169.00757	1.1
169.13365	1.8
173.08084	0.5
187.03987	0.4
187.11598	0.6
187.14444	11.6
190.07713	0.6
191.03328	0.4
191.37743	0.4
205.10172	1.2
215.13927	5.7
217.10657	0.8
233.08025	1.4
233.15010	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	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.5
62.41112	1.2
66.03009	1.1
66.66856	1.2
71.21837	1.1
71.50471	1.7
71.77375	1.4
72.08158	10.0
78.95636	3.3
84.04522	1.7
84.08121	2.6
86.09695	5.0
94.93007	8.5
100.85800	1.6
101.00905	2.0
116.08228	2.2
118.08659	7.5
130.04953	1.9
143.01903	1.9
144.06616	1.5
144.40172	1.3
161.03001	2.0
188.54707	1.4
190.91191	3.9
222.17809	1.4
232.92207	3.2
232.94395	1.9
233.04422	5.2
233.06328	100.0
233.15424	2.1
246.23466	1.4
249.04491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1744
Annotation	2-Polyprenylphenol
Peak:m/z	Relative Intensity
53.03939	3.0
55.01867	2.9
55.05512	8.6
57.03438	4.6
57.07064	4.0
65.03929	1.5
67.05508	20.1
68.02219	1.2
69.03433	1.6
69.06729	2.1
69.07070	25.7
69.27591	11.0
70.41574	1.2
71.04996	8.3
76.34589	1.4
79.00394	1.2
79.05492	13.8
81.07057	33.4
83.04969	4.5
83.08637	2.0
91.05478	15.1
93.07043	32.3
93.07632	1.6
94.04182	1.3
95.04964	5.4
95.08610	100.0
97.06525	7.9
97.10194	3.4
103.05470	2.5
105.07032	50.6
106.07811	1.4
107.04964	2.7
107.08596	28.8
109.06518	43.9
109.10153	32.6
111.08082	2.8
117.07053	4.7
119.06100	1.9
119.08580	46.0
121.06508	4.1
121.10147	96.7
123.08077	5.5
123.11701	23.1
128.06253	1.5
129.07016	4.3
130.07741	1.5
131.08553	9.5
133.06519	1.6
133.07584	2.9
133.10129	26.2
134.10918	2.5
135.08066	5.8
135.11703	9.9
137.09613	3.4
139.11191	2.0
141.06975	2.8
141.98367	1.5
142.07768	14.2
143.08563	12.4
145.10136	23.2
147.08020	5.9
147.11687	23.1
147.70007	1.3
149.09554	2.3
149.13254	4.8
150.13152	1.3
155.08560	2.0
156.09380	7.2
157.10133	60.6
158.10930	2.6
159.11726	6.9
160.08829	2.2
161.09644	12.3
161.13283	8.1
163.11214	1.9
170.10855	6.0
171.11681	18.2
173.13252	12.8
175.11180	14.8
175.14809	3.1
183.11745	2.8
185.13264	5.3
187.14799	5.4
189.12840	2.0
189.16508	1.5
198.13991	1.8
203.17949	3.7
213.16406	19.6
231.13936	2.6
231.17432	29.8
231.25249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	Isoleucylvaline
Peak:m/z	Relative Intensity
55.05510	1.4
56.96566	1.2
57.03445	0.5
69.03427	1.5
69.07066	1.6
70.06587	1.2
71.13270	0.9
72.08161	16.6
81.03411	0.6
81.07066	0.7
84.08141	1.4
85.02901	0.5
85.52378	0.5
86.09711	100.0
87.10037	0.6
88.95370	0.4
91.05491	0.9
93.07069	0.5
95.08591	0.6
98.97589	2.7
99.04461	0.7
105.07032	0.5
111.04400	0.5
116.98627	1.2
117.96002	1.3
118.08679	3.7
128.07150	0.7
129.07133	0.4
132.10239	0.6
135.97046	0.8
185.16539	2.9
186.14932	1.0
196.13341	0.8
200.10780	0.9
214.14438	1.6
231.02817	0.8
231.08266	0.7
231.10010	0.5
231.14803	1.8
231.17033	8.1
237.85849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03942	0.7
55.05514	9.9
56.05028	0.3
56.96564	0.6
57.05822	0.8
59.04988	0.3
67.05519	0.4
69.03437	2.0
69.07072	0.5
69.20407	2.4
70.06586	0.8
71.05003	0.4
71.06909	0.3
72.08158	100.0
76.93372	0.6
79.05518	0.3
80.58324	0.3
81.03423	0.8
81.07062	0.7
83.08616	0.5
84.08146	0.9
85.02922	1.2
86.09706	5.2
87.00826	0.5
91.05476	0.3
93.07078	0.4
95.08599	0.3
97.02891	0.9
97.06532	0.4
98.97617	0.6
99.04488	0.7
99.08111	0.3
105.07030	0.4
107.08583	0.5
109.02905	0.4
111.04442	0.7
115.05461	0.3
116.98576	0.5
117.96001	1.7
122.09664	3.4
125.02380	0.7
127.03923	1.0
129.07008	0.4
132.10205	4.1
135.96991	0.5
139.03951	0.6
146.05988	0.4
147.04440	0.6
148.07550	0.4
157.10136	0.3
167.10649	0.3
172.11223	0.8
174.09183	1.2
185.13185	0.4
185.16536	0.8
189.09023	0.3
195.02956	0.4
200.10715	8.3
213.09360	0.3
231.02921	0.8
231.14972	28.3
231.17114	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	231.1495
Annotation	Leontidine
Peak:m/z	Relative Intensity
53.03939	0.5
55.01875	0.5
55.05516	8.3
56.96562	1.0
58.75632	0.5
67.05502	0.6
67.81525	0.5
69.03430	2.1
70.06607	0.6
70.07229	2.2
72.08161	79.7
76.93379	1.8
80.05027	0.5
81.03427	1.4
81.07053	1.5
83.04971	0.5
84.08154	3.5
85.02907	0.9
86.09701	5.0
91.05504	1.4
93.07050	1.0
95.04977	0.7
97.02900	1.6
97.06522	0.6
98.97601	2.0
105.07104	0.7
107.08622	1.0
109.02895	0.6
110.06071	0.9
111.04460	0.9
116.98635	1.3
117.95982	4.4
118.07613	0.5
122.09676	10.8
122.10505	0.8
123.65807	0.5
125.02395	1.0
125.07923	0.5
127.03961	0.9
129.07053	0.6
129.10262	0.6
132.10208	3.5
135.97041	2.2
139.03941	1.8
143.08586	0.9
146.06097	0.6
147.04420	0.8
147.08167	0.8
148.07584	1.1
153.07394	0.9
155.47897	0.5
172.11148	3.2
174.09175	4.9
185.09637	0.6
185.16426	1.0
188.10751	1.4
200.10718	32.9
202.12279	1.2
213.03773	0.6
213.09492	0.9
231.02974	1.0
231.14952	100.0
231.16928	4.7
232.15323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01634	43.3
58.00894	52.9
71.25821	73.0
75.86887	44.1
80.66646	43.3
110.48454	53.2
112.18759	39.7
117.09349	45.6
158.13480	47.0
230.99138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19679	7.2
60.04522	8.5
69.48851	53.7
70.06599	56.5
71.06910	20.6
72.08166	10.8
83.43810	7.0
84.08146	26.7
88.03986	21.9
91.21960	7.2
97.04655	7.4
116.07083	38.4
117.96004	30.1
127.08685	13.1
143.08984	19.0
144.09174	7.4
147.22012	7.8
148.48328	7.2
171.07683	7.8
196.06027	10.2
230.15826	100.0
230.99179	17.6
231.10010	19.8
231.14539	24.5
231.16631	8.2
249.28003	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	231.123
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
53.03936	1.0
55.05501	1.1
59.05001	1.6
65.03918	0.7
67.05514	5.5
69.03430	5.2
70.56237	1.7
71.01365	3.7
71.04989	2.4
73.02927	2.1
79.05491	1.3
81.03416	0.7
81.07060	4.7
83.04990	3.4
83.08633	1.4
85.06548	1.2
91.05478	2.1
92.02222	0.6
93.07037	4.4
95.04977	48.1
97.02878	4.1
99.04475	1.1
105.07037	4.7
107.08617	3.9
109.06510	1.9
109.10169	4.6
111.04449	1.2
111.08079	2.4
113.06018	50.3
114.81947	0.7
115.05487	0.7
117.07018	1.0
121.10155	1.7
123.04424	3.1
123.08076	0.8
123.11719	3.1
128.06212	3.0
133.10156	4.9
133.83020	0.6
135.08066	2.8
137.09644	0.8
141.05476	100.0
143.08577	10.8
151.09972	1.3
151.11194	25.1
161.09645	17.0
167.10725	0.8
179.10678	15.2
197.11742	5.6
204.89528	0.7
207.32262	0.7
221.72409	0.6
225.10271	0.6
231.12259	5.1
253.03639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01861	5.3
55.05515	56.8
55.60931	1.5
57.03421	4.8
57.07077	27.0
58.06600	2.8
59.05000	3.7
60.45299	1.7
67.05509	24.7
68.05827	3.4
69.03426	5.7
69.07072	100.0
69.45409	12.0
70.06578	2.5
71.04996	6.8
71.08633	18.2
72.04519	2.8
72.08154	6.8
73.06554	2.7
79.05491	19.9
81.06600	2.6
81.07060	41.0
82.06586	1.7
83.04977	6.5
83.08620	56.6
84.08155	2.9
85.06535	3.4
85.10177	7.3
86.06054	9.9
87.04441	3.0
91.05470	5.7
92.05835	2.4
93.07050	27.6
95.04948	1.8
95.08617	46.8
97.02868	2.0
97.06532	26.1
97.09556	3.0
97.10174	54.7
98.06052	5.1
98.09669	4.7
99.08093	6.0
100.07630	7.6
105.07030	3.1
106.07359	2.7
107.08603	25.2
109.10168	21.9
110.10506	4.4
111.08089	19.2
111.11728	16.7
114.09165	5.8
115.07568	5.7
119.08569	4.1
120.08933	2.6
121.10149	36.4
123.11724	4.7
125.09632	15.2
125.13248	2.6
128.10730	3.5
129.09085	4.4
129.12750	1.8
135.11693	25.2
137.13275	2.5
139.11186	15.4
140.14330	4.2
142.07391	2.9
142.12276	2.0
143.10718	3.3
144.62701	1.6
149.13239	4.6
153.12721	6.8
153.16377	4.7
156.08957	5.4
157.12254	2.9
158.10497	4.2
159.08176	1.5
168.09142	1.8
169.09630	5.2
170.10582	1.8
174.09966	1.7
177.16396	82.1
184.12064	8.7
185.13165	1.9
194.08156	2.9
194.10246	1.5
195.17458	53.4
198.14891	1.8
202.09427	4.7
202.13054	3.2
211.67641	1.9
212.09232	3.5
212.11406	3.5
212.20096	34.5
213.18465	7.1
230.10303	2.8
230.12469	15.1
230.14090	2.0
230.16258	2.1
230.19357	1.8
230.21240	16.1
230.24747	11.0
230.99944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.01858	3.0
55.05513	24.8
57.03435	15.7
57.07071	3.8
59.04991	4.7
67.05505	100.0
69.03416	1.8
69.07070	26.8
69.19770	11.6
70.06580	1.2
71.04987	12.3
71.08590	1.5
74.93818	4.2
79.05493	19.3
81.03409	2.4
81.07055	83.4
82.27596	1.0
83.04987	8.9
83.08152	1.7
83.08622	21.9
85.02895	2.6
85.06541	17.8
87.04459	1.3
87.39977	1.1
91.05479	28.7
93.07041	23.5
95.04960	5.0
95.08611	97.6
97.06528	21.1
97.10150	6.9
99.00838	2.0
99.08099	12.8
101.06015	1.6
105.07037	30.3
107.08609	15.3
109.06517	4.6
109.10157	73.4
111.04455	1.1
111.08070	10.2
112.28013	1.2
113.06013	1.9
113.09638	3.5
115.07594	2.6
115.96454	12.0
117.07021	3.4
119.08587	44.2
121.06491	1.9
121.10148	13.0
123.08066	6.2
123.11703	3.5
127.07574	2.2
127.11172	2.7
128.06232	1.2
129.06998	2.5
129.09074	1.2
131.08553	5.0
133.10132	25.4
133.97446	5.4
135.08072	2.0
135.11696	13.6
137.09637	5.5
137.13248	14.3
141.06990	2.6
142.07727	1.4
143.08557	3.4
144.09438	1.1
145.06589	1.7
145.10101	5.6
147.08034	2.1
147.11681	15.8
149.13289	1.7
150.80196	1.2
151.11220	2.5
154.68254	1.4
155.08574	4.3
155.10684	3.6
155.67348	1.4
156.09372	1.8
156.99077	1.5
157.10165	7.4
157.11320	1.0
159.08028	2.5
159.11720	5.4
161.13254	71.9
165.12759	8.0
168.09329	1.5
168.29581	1.1
169.10173	2.8
171.11769	2.3
173.09608	3.9
173.11749	20.4
173.13179	2.8
175.11169	4.1
179.14305	52.3
181.10187	1.3
183.11674	5.0
185.13229	1.6
186.10434	1.4
187.11203	3.0
193.12337	1.5
196.12534	1.9
197.11694	1.2
197.15387	14.8
201.09190	1.5
201.12686	2.9
205.98798	1.9
211.11163	2.3
211.13020	1.4
211.14825	3.5
211.16797	2.2
229.05119	1.3
229.08597	2.2
229.12221	12.7
229.14110	49.5
229.15842	8.2
229.18016	3.9
229.19652	3.0
229.23480	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	229.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03939	1.8
55.01865	2.3
55.05511	7.4
57.03445	6.6
57.07061	4.1
59.04979	1.5
65.59183	1.2
65.64201	1.1
67.05506	32.4
69.07067	10.5
69.36999	9.8
71.04997	7.6
79.05502	11.5
81.07059	20.8
83.04979	2.3
83.08614	6.2
85.06552	3.3
91.04965	2.2
91.05481	18.5
93.07043	19.9
95.04980	12.2
95.08607	16.1
97.06563	1.9
98.03233	1.2
99.08096	2.1
103.05455	1.4
105.07033	38.0
107.04896	1.3
107.08604	17.1
109.06525	6.0
109.10159	34.5
111.08094	1.9
114.77083	1.2
115.05474	2.9
115.96421	2.0
117.07019	17.1
119.04913	1.9
119.08589	26.5
121.06511	7.1
121.10150	18.4
121.10946	1.9
123.08057	3.7
124.75253	1.2
128.06183	6.2
129.07014	7.8
130.07813	5.9
131.08575	18.1
133.06499	1.7
133.10136	21.3
135.08061	10.8
135.11772	1.3
137.09595	6.2
141.07014	4.5
142.07820	5.8
143.08556	16.4
144.09355	3.4
145.06519	2.6
145.10129	65.5
146.10872	1.4
147.08124	4.1
147.11658	10.6
149.09630	6.3
154.07713	2.9
155.08559	11.5
155.10611	1.9
156.09351	7.1
157.10132	15.1
158.10948	2.2
159.08102	7.2
159.11710	28.2
160.08850	1.4
161.09596	2.9
162.55844	1.2
167.08556	1.8
168.09370	3.1
169.10161	15.0
170.10951	4.6
171.11682	30.1
172.08844	1.6
173.09621	16.6
173.11755	7.7
173.13309	8.2
181.10115	7.3
182.10907	3.8
183.11749	4.9
185.13280	13.2
186.14087	2.0
187.11201	8.4
187.14861	4.7
196.12476	9.3
199.11250	2.4
199.14851	1.4
201.12617	2.0
201.16382	14.8
211.14803	21.3
214.13499	1.8
219.90012	1.4
229.12228	3.3
229.15945	100.0
229.19650	4.3
229.23512	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Pro Ile
Peak:m/z	Relative Intensity
53.84998	0.3
57.03443	0.3
58.06601	5.1
58.20588	0.2
59.07376	1.0
60.08165	6.6
62.59772	0.2
68.05023	1.0
70.06596	28.3
71.49507	0.4
72.08154	0.5
77.28657	0.2
84.03971	0.3
84.08121	0.2
94.93008	0.4
96.08119	1.1
98.06052	0.7
98.98483	0.4
114.05534	3.0
114.09161	1.7
115.96440	0.6
116.07059	0.8
124.07595	3.2
126.09188	0.5
132.86156	0.2
142.08640	29.4
170.08136	1.6
229.03198	0.7
229.15480	100.0
230.15814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86764	0.3
54.24899	0.3
58.06322	0.3
58.06605	5.0
59.07368	0.8
60.07891	0.5
60.08170	6.8
68.05018	1.1
70.05605	1.2
70.06597	32.4
72.08157	1.2
74.93802	0.5
84.04491	1.2
86.09705	0.7
96.08109	0.9
98.06064	0.6
98.20690	0.4
114.05538	3.5
114.09174	2.3
115.96431	1.4
116.07121	0.7
118.08659	0.4
124.07609	3.4
126.09135	0.7
126.66669	0.3
142.08643	29.4
170.08165	1.8
183.11375	0.7
183.84906	0.3
208.96799	0.3
229.03242	3.2
229.06822	1.2
229.15488	100.0
230.15807	1.1
233.36140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57053	0.8
53.03947	2.4
55.01880	1.0
55.05516	7.3
57.03431	3.3
57.07088	4.9
59.05003	1.4
59.53281	0.9
67.05508	26.9
69.03434	1.2
69.07073	9.5
70.51427	3.0
71.04996	7.3
79.05492	12.3
81.07060	23.5
83.04974	2.8
83.08623	6.5
85.06583	2.3
91.05486	18.1
93.07050	25.4
95.04971	9.0
95.08610	16.5
97.06519	1.5
99.00821	1.5
99.08102	1.2
103.05476	1.8
104.92216	1.0
105.04556	1.2
105.07035	40.2
107.08596	20.8
109.06541	5.8
109.10160	25.9
111.08102	1.2
115.05493	1.2
115.96436	1.3
116.06205	0.9
117.07029	14.1
119.04943	2.4
119.06120	1.1
119.08587	24.6
121.06548	5.1
121.10156	20.7
123.08076	3.1
128.06230	4.4
129.07004	10.8
130.07796	6.9
131.08569	22.4
132.09384	1.2
133.10133	21.6
133.97452	1.4
135.08041	7.9
135.11700	1.1
137.09636	5.8
141.07030	5.5
142.06818	1.1
142.07776	6.5
143.08571	19.9
144.09355	4.9
145.06464	2.1
145.10129	67.2
146.10835	1.4
147.08081	3.1
147.11702	8.3
149.09613	5.1
153.06956	2.2
154.07780	1.7
155.08574	8.9
155.10744	1.5
156.09314	9.8
157.10147	16.2
158.07304	2.6
158.10979	3.1
159.08072	7.7
159.11707	28.3
161.09628	4.3
161.13292	1.1
165.06955	1.0
167.08601	2.7
168.09346	2.1
169.10139	17.2
170.10933	4.6
171.11702	27.8
172.12442	1.7
173.09639	16.4
173.11775	4.2
173.13306	7.4
181.10179	5.6
182.10957	3.0
183.11641	4.7
185.13255	10.6
186.10443	1.1
186.14041	1.8
186.22252	1.8
187.11183	6.2
187.14854	3.9
196.12476	12.0
199.11212	1.5
199.14845	1.3
200.15631	1.3
201.16405	17.6
211.14828	18.8
214.13547	2.2
229.15939	100.0
229.19646	3.7
229.22903	4.2
246.19971	1.1
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	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.74804	0.7
55.02480	0.7
55.05516	10.3
57.03440	16.6
57.07058	2.1
59.05009	5.1
65.03933	1.5
67.05505	100.0
69.03411	0.8
69.07068	1.9
70.63782	2.3
71.04990	4.2
79.05475	2.6
81.06599	0.9
81.07058	16.6
83.08617	7.3
85.06552	4.1
91.05475	7.1
93.07058	3.7
95.04960	0.9
95.08607	7.8
99.08104	1.5
105.07018	1.5
107.08569	1.7
109.10159	92.8
111.08055	3.5
115.96376	1.1
117.06978	1.3
119.07829	0.8
119.08591	8.6
121.10160	0.9
136.92696	0.7
137.09621	4.7
143.08568	0.9
145.10097	1.2
155.10657	7.4
159.11700	1.5
173.11749	30.6
229.12531	1.6
229.14311	40.5
229.19499	2.7
229.23560	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	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01873	7.4
55.05507	8.5
56.96569	1.0
57.03433	4.4
57.07062	3.0
59.04995	1.6
65.03934	0.8
67.05506	35.2
69.03410	3.3
69.07072	10.2
70.06586	4.2
71.04978	4.6
71.52129	0.8
72.04507	1.3
72.08128	1.3
74.93799	1.6
79.05068	1.1
79.05489	11.6
81.03400	1.0
81.07058	47.6
83.04987	5.3
83.08633	5.3
84.08096	1.2
84.95993	1.3
85.02887	2.3
85.06551	4.7
86.09706	0.9
91.05485	25.5
93.07049	10.6
95.04984	5.3
95.08601	8.4
97.06042	0.7
97.06538	10.5
98.97564	1.1
99.00864	1.5
99.04432	2.5
99.08067	3.0
101.05970	1.2
105.07032	28.7
107.04944	2.1
107.08597	11.4
109.06526	9.1
109.10155	21.2
111.04430	0.9
111.08097	2.0
113.06002	3.4
115.05413	1.6
115.96451	5.1
117.06953	1.5
119.08585	28.0
121.06503	0.9
121.09351	1.1
121.10146	14.1
123.08095	4.2
123.10844	1.3
123.11710	21.6
125.09607	1.4
127.03851	0.8
127.07521	1.7
127.22289	0.9
128.06195	0.7
128.10770	4.8
129.07024	8.3
131.08568	6.6
131.59547	0.8
133.06439	1.1
133.10136	9.9
133.97501	2.4
135.04410	0.8
135.08119	1.0
137.09598	2.9
141.06981	1.1
142.07738	2.1
143.08549	1.1
145.06503	1.0
145.10081	1.8
147.11690	73.2
149.09596	3.6
151.11139	1.4
153.07063	1.1
155.07217	0.8
155.08572	2.4
155.10593	1.2
156.10222	5.7
156.13857	6.3
157.10132	18.1
159.08015	1.2
164.71614	0.8
165.08978	1.1
165.12761	31.6
168.09348	1.4
169.08606	1.2
169.10017	1.2
173.06154	0.9
173.11716	4.5
173.13124	1.4
175.11195	18.4
175.14821	0.9
178.41592	0.9
183.07933	1.1
183.10243	0.8
183.11635	1.9
183.13750	1.3
184.13307	6.6
185.13281	1.0
187.07590	1.1
187.11217	1.7
193.12250	10.2
201.12637	1.5
205.98784	1.4
211.11327	1.7
211.13284	4.6
211.64360	0.8
229.05128	2.0
229.12370	6.5
229.14323	100.0
229.23393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03957	0.9
55.01897	0.5
55.05518	9.0
56.30284	0.5
57.03444	19.4
57.07078	1.9
58.76543	0.5
59.05006	5.8
62.55821	0.5
65.03945	1.8
67.05511	100.0
69.03448	1.1
69.07075	2.5
70.06613	0.8
70.76585	1.5
71.05003	3.6
73.25465	0.4
79.05508	2.4
81.07065	14.1
83.08628	6.8
85.06557	2.7
91.05490	6.9
93.07055	5.3
95.04982	1.2
95.08616	6.4
99.08109	0.5
101.76173	0.5
103.03953	1.9
105.07063	2.2
107.08617	4.6
109.02829	0.6
109.06546	0.8
109.10170	90.5
111.08078	3.1
115.96461	2.4
117.06996	1.1
119.08591	8.4
121.10143	0.7
123.11681	0.5
129.06960	1.1
131.08575	1.6
131.75984	0.5
133.97523	0.5
137.09616	4.9
141.06996	0.9
142.07767	0.5
143.08557	0.9
145.10144	1.5
147.11734	1.0
149.13281	0.6
153.06978	0.5
155.04465	0.5
155.08665	2.4
155.10683	10.3
157.10104	1.9
158.10916	0.7
159.11723	0.6
165.12779	0.5
168.09335	1.3
173.11783	28.7
173.13258	4.3
183.11714	4.6
187.10768	0.6
191.14209	0.6
193.10176	0.8
201.09077	2.5
201.12779	0.9
211.10674	6.4
229.12001	8.6
229.14319	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	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01877	5.6
55.05511	5.1
57.03416	2.8
65.03939	1.1
67.05505	22.1
69.07072	8.1
70.45728	0.6
70.96114	1.5
71.04978	2.8
74.93770	0.9
79.05496	9.3
81.07058	39.1
83.04975	3.6
83.08605	4.3
85.06535	2.7
91.05482	18.4
93.06577	0.7
93.07054	8.0
95.04984	3.5
95.08618	7.2
97.06535	8.3
99.08072	2.7
105.07031	25.6
107.04913	1.0
107.08604	7.4
109.06517	5.7
109.10165	8.1
111.04447	0.8
113.06002	2.2
115.96447	3.4
119.08584	21.7
121.10149	13.0
123.08042	2.0
123.11714	15.9
127.07452	1.0
129.07021	6.9
131.08611	3.8
133.10143	5.9
135.08087	1.0
137.09607	1.4
137.13252	1.2
141.09052	0.8
142.07732	1.8
145.10139	2.0
147.11693	67.9
149.09595	3.5
155.08554	0.9
155.10551	0.9
157.10138	14.4
165.12755	31.5
171.11653	1.0
173.09663	0.9
173.11774	1.5
175.11179	17.5
183.13846	1.9
193.09523	0.9
193.12250	6.2
211.13264	2.8
229.14328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01867	0.4
55.05522	1.7
56.96553	0.4
57.03439	1.7
57.07079	0.7
59.04999	0.7
67.05506	15.8
68.81203	0.3
68.99798	0.4
69.03436	0.8
69.07072	10.0
69.60121	1.5
69.95992	0.3
71.04992	3.6
74.93817	0.9
75.04474	0.7
79.05492	1.2
81.07060	5.3
83.04980	0.9
83.08618	1.0
85.06537	1.2
90.72495	0.3
91.05470	2.0
93.07050	3.0
95.04968	6.5
95.08611	7.3
97.06525	0.5
97.10165	0.4
98.97585	1.0
99.00829	0.5
99.04455	0.4
99.08067	0.3
101.06003	0.6
105.07051	2.7
107.08604	2.2
109.06519	1.1
109.10159	100.0
110.10479	0.7
111.08096	0.7
115.05434	0.4
115.96467	2.6
117.07044	0.4
119.08589	5.8
121.06503	2.0
121.10149	0.5
123.11710	11.7
125.09648	0.4
127.11194	37.6
128.06216	0.7
129.06992	0.6
131.08566	1.5
133.10133	6.3
133.97485	0.7
135.11636	0.5
137.09624	8.9
139.07555	1.3
141.06982	0.5
143.08572	1.8
145.10150	0.9
147.04407	0.3
147.11720	1.1
151.11140	2.6
153.07027	0.6
155.08572	1.1
155.10675	6.6
157.10188	0.7
159.08066	0.7
161.09619	6.5
165.09135	0.5
168.09351	0.8
169.10092	0.4
169.12230	1.0
171.11658	0.5
173.09612	0.7
173.11746	8.6
173.13089	0.3
179.10670	12.6
179.12201	0.6
183.08145	0.4
183.11885	1.7
183.13840	1.0
187.11229	0.4
192.60806	0.3
193.10289	0.4
193.12221	0.7
197.11740	13.0
201.12576	0.4
211.11310	0.7
211.13322	2.5
214.04517	0.5
229.06822	1.0
229.08932	0.4
229.12132	2.3
229.14383	4.4
229.15982	1.1
229.19690	0.5
229.23502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60069	0.8
56.05066	0.7
56.96595	1.3
58.06350	0.7
58.06601	3.8
59.07376	1.7
60.08171	7.3
61.02876	0.7
62.88879	0.9
66.40103	0.7
67.05487	0.9
68.05019	1.1
70.06598	31.4
70.09460	1.4
70.09855	2.0
72.08154	1.8
74.93825	3.0
79.05466	0.9
81.07069	1.5
81.85499	0.7
85.02898	1.3
86.09679	1.1
91.05346	0.8
96.08116	1.3
98.06079	1.3
98.98454	1.4
103.02431	0.9
114.05547	3.5
114.09198	1.1
115.96436	8.6
124.07584	3.0
126.09270	0.8
131.01915	0.8
133.97435	3.0
142.08647	31.2
170.08241	0.9
183.02673	0.9
229.03212	43.6
229.06860	3.2
229.15488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
53.03942	0.9
54.43855	0.4
55.01888	0.6
55.05515	8.9
57.03442	21.2
57.07079	1.8
59.05008	5.1
65.03951	1.9
67.05509	100.0
69.03430	0.9
69.07068	3.6
70.06611	0.5
70.25635	1.5
71.05007	4.6
73.79437	0.4
74.93839	0.6
79.05499	5.4
79.85841	0.4
80.20355	0.5
81.03423	1.1
81.07063	18.0
83.05004	1.0
83.08624	8.2
83.92217	0.4
84.08178	0.5
85.02914	0.6
85.06548	3.7
91.05486	11.5
93.07050	6.5
95.04991	1.6
95.08617	7.9
96.54503	0.4
97.06595	0.8
99.00847	0.7
99.04520	0.5
99.08092	0.7
103.03958	1.9
103.05482	0.8
105.07040	4.4
107.04975	0.6
107.08606	4.7
109.02895	1.5
109.06507	0.9
109.10162	91.1
111.08082	3.5
112.44804	0.5
113.06054	0.5
115.05476	1.2
115.96445	2.6
117.07047	2.7
117.77605	0.5
119.08581	10.2
119.09371	0.7
121.06554	0.7
121.10163	1.1
123.11724	1.0
127.11206	0.9
128.06223	2.4
129.07018	3.3
131.08594	4.9
133.06526	0.7
133.10172	1.3
133.97510	0.6
135.04427	1.0
135.08043	0.6
135.11797	0.5
137.06032	0.5
137.09628	5.8
141.06990	4.1
142.07782	2.5
143.08534	4.4
144.09312	0.9
145.06509	0.6
145.10136	2.7
147.08087	0.7
147.11679	1.5
149.06020	0.9
149.13243	0.8
153.07008	2.0
154.07748	0.5
155.04349	1.0
155.08604	6.4
155.10661	9.6
157.10130	6.4
158.10968	1.1
159.08089	1.0
159.11740	1.6
165.12746	1.1
167.08522	1.0
168.09373	5.2
169.10106	0.8
171.08064	0.7
173.05653	0.5
173.09557	1.2
173.11754	26.2
173.13281	6.5
178.07883	1.0
181.10129	1.1
183.08057	0.9
183.11722	9.0
185.13307	0.7
187.07547	0.9
187.10823	1.0
191.14270	0.9
193.10197	2.3
196.08821	0.6
201.09142	7.6
201.12746	2.2
211.10722	9.4
211.14963	0.5
229.12099	19.7
229.14368	46.8
229.19505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
55.05514	34.1
57.03424	1.4
57.07075	10.5
58.06604	1.6
58.27752	0.9
60.07888	1.1
60.08168	16.1
65.03934	1.3
67.05508	52.7
69.07068	21.4
69.83610	1.7
69.84012	3.7
71.04996	4.9
71.08616	2.5
79.05485	6.7
81.07059	53.5
83.04967	2.2
83.08624	36.9
84.08141	1.0
85.06536	5.9
91.05480	4.4
93.07041	9.8
94.04025	0.8
95.05002	1.1
95.08609	100.0
97.06540	6.8
97.10171	21.7
98.03753	0.8
98.20763	1.5
98.98174	1.0
99.08061	1.9
100.07610	1.0
101.06004	1.1
105.07035	5.2
107.08584	7.0
109.06446	0.9
109.10159	51.5
111.08091	7.3
111.11710	3.9
113.09586	1.0
115.07539	1.6
119.08585	8.8
121.10146	3.3
123.08044	3.4
123.11703	7.7
125.09630	2.4
127.07574	1.2
129.09120	1.9
133.10127	10.9
134.04816	0.9
135.11684	3.8
137.09621	6.3
141.09164	1.7
147.11694	5.5
149.13292	4.6
151.11188	3.0
151.14851	6.5
155.10626	1.4
164.05452	0.8
165.16380	1.0
175.14833	45.0
175.91895	0.9
193.14223	1.8
193.15886	24.5
210.18524	2.0
211.16968	7.7
225.39049	0.9
228.19606	11.2
228.23228	3.6
228.26875	98.3
229.18018	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	228.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.2
58.06593	0.4
69.03423	0.2
69.68405	1.0
70.06590	2.1
71.56778	0.2
72.08157	2.0
75.09243	0.4
82.99869	0.3
84.04502	0.3
84.08144	3.5
98.09699	1.4
101.00890	0.5
102.00936	0.3
103.00614	0.3
110.07131	0.6
110.09655	0.6
112.02467	0.2
112.11234	0.3
113.05633	0.2
115.07197	0.6
119.01918	1.6
120.02013	0.6
121.01684	1.2
121.76908	0.2
122.01981	0.4
125.05612	0.2
127.03952	0.3
127.07169	1.1
127.12348	0.4
129.08748	1.9
130.03473	0.4
131.06674	0.3
133.03458	0.2
133.08249	0.5
137.02939	0.5
137.09241	0.2
138.03014	0.3
139.02705	0.3
140.14302	0.2
141.08737	1.1
143.06688	0.3
144.03209	0.4
145.03514	0.5
145.08226	0.7
146.03566	0.2
147.09789	1.2
153.08698	1.1
155.10298	9.5
157.08229	3.0
157.11893	0.9
158.03668	0.4
159.03259	0.2
159.08597	0.2
159.09781	0.9
163.02693	0.3
163.04578	0.3
165.08734	0.5
167.10324	1.5
168.02052	0.2
169.08237	0.8
171.09802	0.8
173.11371	6.2
175.09352	1.0
175.12956	1.0
177.00975	0.4
180.00786	0.3
180.09830	0.3
181.03720	0.3
182.03831	0.2
182.11388	6.0
183.09796	0.6
184.12973	11.7
185.02931	0.4
185.11322	1.2
185.12886	0.4
186.03130	2.2
186.14566	1.5
187.02776	0.2
187.04419	0.3
188.04694	0.3
197.11342	0.5
198.11121	0.3
200.04608	0.2
204.04169	0.8
205.03731	0.3
205.05585	0.3
209.11304	0.4
210.14494	0.5
211.12926	0.5
216.04185	0.4
222.02014	0.4
226.14061	0.6
228.04202	0.7
228.15581	100.0
228.22971	1.2
229.15782	1.4
246.05270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03936	3.6
55.01872	4.4
55.05516	22.3
55.08701	1.9
57.03205	1.6
57.03445	17.3
57.07078	8.3
59.04989	8.1
65.03917	2.0
67.05191	1.8
67.05511	28.9
69.03433	18.9
69.07069	28.0
70.80161	5.1
71.04660	2.5
71.04999	30.0
75.04469	5.4
79.05491	19.8
81.03407	2.1
81.06596	2.0
81.07055	36.1
83.04986	22.2
83.08615	22.6
85.06532	13.1
86.09721	1.7
86.74712	1.7
87.04413	2.0
91.05485	15.4
93.06509	1.6
93.07051	30.6
93.51826	1.6
95.04984	14.3
95.08613	32.9
97.06533	16.7
97.10174	12.5
99.03859	2.4
99.04461	33.9
99.08094	5.5
100.11260	22.3
101.06026	2.7
105.07055	19.3
107.04957	2.5
107.08603	100.0
109.06531	18.5
109.10168	68.1
111.04395	3.1
111.08103	20.3
113.06013	2.7
113.09624	3.6
113.96407	5.9
115.07559	2.7
117.06998	3.8
119.08586	12.2
121.06487	10.2
121.10156	68.1
122.07256	5.4
123.08105	14.9
123.11707	16.6
125.06031	2.8
125.09641	28.5
129.07008	2.5
131.08568	15.5
131.97415	2.8
133.10147	24.8
135.08055	18.3
135.11696	20.6
137.09630	33.1
137.13211	2.9
139.11140	7.2
141.06984	2.4
141.09042	2.2
143.08557	5.2
143.10664	5.0
145.10114	11.0
147.11723	12.1
149.09637	13.2
149.13266	37.7
151.11189	81.1
153.09123	15.9
153.12727	6.1
156.09312	7.2
158.10872	4.1
161.66583	1.7
163.11189	9.3
163.14828	42.6
165.12729	6.3
167.07076	7.1
167.10683	4.8
169.08670	10.7
169.12253	23.2
171.10399	2.0
171.11748	8.5
173.13269	43.7
177.05540	2.0
181.12231	4.4
183.13776	7.6
185.09532	2.0
185.11742	3.1
191.10704	5.2
191.14317	98.9
195.10181	4.8
209.09039	5.0
209.11800	3.2
209.15289	24.9
227.03587	2.0
227.07132	2.8
227.10393	4.1
227.12746	12.9
227.16127	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.26037	0.7
53.03945	1.3
53.70810	0.6
54.20239	0.7
55.01863	1.9
55.03677	0.6
55.05515	8.7
57.03443	7.1
57.07065	2.4
59.05004	1.6
61.10661	0.6
67.05507	6.4
69.03430	4.1
69.07061	8.3
70.15381	1.7
71.04999	10.8
75.04472	3.0
77.03922	0.7
79.05485	7.4
81.03383	1.2
81.07057	12.2
83.04984	4.8
83.08622	5.2
84.04510	0.9
85.06542	4.3
86.09713	5.4
91.05486	4.2
93.07049	12.7
95.04971	100.0
95.08610	12.9
97.06533	18.8
97.10167	1.7
98.09727	1.2
98.97559	0.8
99.04458	19.3
99.08091	9.5
100.11258	11.9
105.07030	9.8
107.04967	1.2
107.08595	21.0
107.09314	1.4
109.06527	15.1
109.10170	13.1
110.06013	0.8
111.04456	1.4
111.08088	3.7
113.05973	1.1
113.09682	1.1
113.96388	1.6
115.07543	4.5
117.07038	1.1
119.08576	7.1
121.06555	2.5
121.10147	36.9
123.08087	4.6
123.11070	0.6
123.11744	6.1
125.06003	0.9
125.09641	5.5
127.07565	3.7
131.08566	4.5
133.07648	0.6
133.10143	19.4
135.08066	6.6
135.11707	5.3
137.09630	4.5
139.07536	0.9
139.11192	6.6
143.01904	1.1
143.08574	0.9
145.10129	2.8
147.11682	7.9
149.09625	3.1
149.13266	7.8
151.11197	11.1
153.09111	35.2
153.12718	2.1
158.10880	1.9
161.03001	0.8
162.05649	0.6
163.05898	2.2
163.07538	1.3
163.11168	3.3
163.14857	6.6
163.64453	1.9
165.12828	1.1
167.07072	2.5
167.10587	1.4
167.14372	0.8
169.08650	2.5
169.12309	1.1
171.10190	5.3
171.11548	1.1
173.13268	14.3
181.12187	0.9
182.15460	1.5
191.10696	1.3
191.14311	18.9
199.17981	1.7
209.08119	2.0
209.11995	1.0
209.15337	24.7
213.17752	4.2
227.12834	1.3
227.16307	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03943	2.0
55.01870	2.7
55.05514	15.8
57.03439	7.5
57.07076	3.7
59.05006	3.5
65.03935	1.4
67.05508	10.5
69.03432	6.1
69.07070	12.5
69.62389	4.0
71.04995	13.4
72.93778	0.9
75.04481	4.9
79.05496	11.7
81.03410	1.8
81.07060	23.8
82.06580	1.7
83.04987	9.3
83.08623	9.4
84.04513	7.5
85.02921	1.1
85.06541	5.6
86.09711	6.7
89.01583	2.1
90.00423	0.6
91.05476	7.2
91.58128	0.9
93.07044	17.7
95.04971	100.0
95.08611	16.6
97.06532	17.8
97.10170	2.4
98.09698	8.6
99.04458	19.7
99.08091	9.6
100.09451	2.1
100.11262	24.2
101.02401	1.1
101.06061	1.1
103.05453	0.8
105.07041	10.4
107.04963	1.9
107.08603	31.1
109.06519	16.5
109.07256	0.8
109.10153	14.5
110.06057	2.7
111.04456	3.4
111.08077	5.9
113.06046	1.1
113.09621	1.3
113.96412	1.9
114.09184	1.4
115.07577	5.2
115.87077	0.7
117.07041	1.6
117.13875	0.9
119.08573	7.3
121.06539	4.4
121.10150	29.8
123.08062	6.8
123.11698	5.9
125.06015	1.6
125.09639	9.8
127.07569	4.1
130.05016	1.3
131.08580	6.7
133.10139	25.3
135.08052	13.2
135.11728	5.8
137.09618	4.3
139.07565	2.3
139.11195	5.9
141.06990	0.9
141.11488	3.4
142.03207	0.7
143.01891	1.1
143.06239	1.9
143.08626	0.8
143.10713	0.8
144.46437	0.7
145.10129	5.5
145.13327	1.3
147.11705	5.8
149.05954	1.3
149.09660	5.1
149.13258	10.0
151.07564	1.0
151.11200	8.0
153.09106	30.8
153.12787	2.2
154.12283	1.1
155.08554	1.0
158.10887	1.5
161.02992	0.8
161.13252	0.8
161.27472	0.7
163.05849	4.6
163.07533	2.8
163.11172	5.1
163.14812	7.2
163.64391	3.8
165.06984	1.0
165.12801	1.7
166.07744	0.7
167.07083	6.9
167.10663	3.5
167.14407	1.1
169.08777	3.8
169.12225	1.0
171.05751	2.6
171.10219	5.6
171.11545	1.1
172.15706	1.9
173.09604	1.0
173.13268	16.0
177.05519	1.6
181.04987	1.6
181.10135	2.1
181.12253	1.9
182.15378	4.7
183.13812	0.8
185.09616	0.7
191.10693	2.9
191.14310	15.4
199.11060	0.9
199.18074	4.0
209.08125	1.8
209.11774	2.6
209.15292	21.8
210.11346	2.4
210.14986	2.1
213.17827	8.5
227.07108	1.4
227.10338	1.3
227.12326	3.7
227.16180	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67323	1.0
53.03945	2.3
54.48160	0.8
55.01864	2.5
55.05510	10.6
56.96561	1.2
57.03427	2.8
57.07064	2.0
59.04992	1.1
64.19393	0.9
66.11643	0.7
67.05508	20.9
68.99795	2.4
69.03428	4.3
69.06728	1.5
69.07069	15.2
69.79463	1.7
69.79874	3.0
71.04996	18.4
72.93785	1.4
73.02917	0.7
79.05498	11.2
81.03417	2.1
81.07061	18.9
83.04987	7.0
83.08620	7.9
85.02927	1.2
85.06548	9.0
85.10178	2.3
91.05473	7.7
93.07043	23.5
95.04951	4.9
95.08611	12.4
97.06555	8.2
97.10162	4.4
98.97556	0.8
99.04460	2.9
99.08103	2.5
100.07620	1.1
100.11253	14.0
101.02310	0.9
103.05527	0.9
105.07047	9.9
107.04948	1.8
107.08595	31.4
109.06516	10.0
109.10159	100.0
111.04445	4.5
111.08101	5.0
113.06005	3.2
113.09659	1.5
113.96408	3.6
115.07543	1.2
117.06955	1.9
119.08569	6.1
121.06502	3.3
121.10146	30.4
123.04488	0.9
123.08071	24.8
123.11688	4.4
125.05999	1.6
125.09643	7.6
127.07505	1.0
127.11194	17.3
128.06235	2.4
129.06973	3.1
129.09084	0.9
131.08582	6.0
131.97446	2.5
133.10141	21.2
135.07130	1.0
135.08073	10.5
135.11678	3.9
137.05940	1.4
137.09602	1.3
139.11224	5.6
141.06982	2.0
142.07782	1.4
142.61514	0.8
143.08534	5.2
145.10114	6.0
147.11694	4.9
149.09621	9.0
149.13271	22.9
151.07439	1.0
151.11200	7.3
153.05531	0.8
153.07040	2.3
153.09085	10.1
154.07852	0.9
155.07030	3.1
155.08591	2.0
156.09319	1.4
157.06474	1.0
157.10124	2.1
158.10953	1.9
159.11670	1.4
163.11185	8.2
163.14804	2.8
165.06914	1.3
166.07773	3.0
166.75722	0.9
167.05959	3.1
167.07239	6.5
167.08504	1.4
167.10664	5.0
167.14294	2.0
168.09300	0.8
169.08618	16.7
169.10025	1.2
171.08070	3.9
171.10298	0.9
171.11702	3.4
173.09523	0.9
173.13254	10.1
177.05450	1.7
181.10135	6.3
181.12225	3.0
184.08783	1.0
185.07126	13.7
185.09584	1.8
185.13307	1.1
191.10625	4.9
191.14313	16.7
195.10178	16.3
195.13884	1.1
199.07582	4.2
199.11134	3.4
209.08195	1.1
209.11662	2.7
209.13409	1.9
209.15172	9.6
213.06635	4.1
227.08121	8.4
227.10614	8.0
227.12727	6.7
227.14380	1.8
227.18019	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03952	5.7
54.52311	2.6
55.01871	14.6
55.05515	24.2
56.96555	5.4
57.03443	7.1
57.07070	7.6
59.05001	4.3
61.44352	2.5
62.19033	2.7
65.03937	9.6
67.05509	29.5
69.03433	33.7
69.07078	35.2
70.06587	6.0
71.01363	2.7
71.05000	61.5
71.10083	5.6
72.93787	12.4
73.02924	36.1
79.05502	29.6
81.03412	9.9
81.07063	36.6
83.04982	10.3
83.08640	13.5
84.04531	2.9
85.02914	7.5
85.05355	2.8
85.06551	26.3
86.09723	27.0
89.03922	3.7
90.94836	3.3
91.05484	15.7
93.03439	3.4
93.07057	45.5
95.04964	21.6
95.08616	34.4
97.02927	3.8
97.06529	30.6
97.10184	10.0
98.97593	4.8
99.04459	30.0
99.08112	21.0
100.11278	13.0
103.05468	3.9
105.07030	25.0
107.04973	8.0
107.08603	61.0
109.02892	4.1
109.06502	16.5
109.10167	59.4
111.04446	7.7
111.08105	13.3
113.06010	4.0
113.09650	2.9
113.96400	24.7
115.07587	3.8
116.98637	4.0
117.06989	4.2
118.04174	4.0
119.08596	18.8
121.06516	15.4
121.10145	37.8
123.04426	11.1
123.08080	60.5
123.11715	10.1
125.05973	5.6
125.09618	23.8
127.03932	6.0
127.07549	11.5
127.11200	22.8
129.09084	3.4
131.08563	13.2
131.97449	12.9
133.10150	24.0
135.04431	39.6
135.05441	5.1
135.08078	22.8
135.11691	11.6
137.06012	3.1
137.09602	12.1
139.03900	6.7
139.07550	4.4
139.11118	4.1
140.04706	45.1
143.08447	2.7
145.10143	12.2
147.11708	5.7
149.06030	4.9
149.09595	10.9
149.13252	18.1
151.07645	4.0
151.09979	4.5
151.11195	76.8
153.05482	6.7
153.09146	13.9
155.07043	76.4
163.03899	4.5
163.07536	4.6
163.11203	17.7
163.14827	12.3
167.07077	12.2
167.10715	5.9
167.14296	8.5
169.08643	14.8
169.12274	10.8
171.06470	3.3
173.13274	26.0
181.04971	100.0
181.08536	4.7
181.12198	8.8
191.07043	3.2
191.10677	8.9
191.14336	40.9
209.08089	25.9
209.09819	4.4
209.11787	7.2
209.15358	65.3
227.07146	4.9
227.09091	30.1
227.12529	5.2
227.16464	13.5
235.85637	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
55.05508	1.3
57.07070	0.8
67.05484	1.5
68.99789	22.8
69.07063	1.5
70.07944	0.6
70.08297	1.8
71.04978	0.7
79.05497	1.3
81.07050	1.4
83.04971	1.9
83.08611	1.6
84.47011	0.4
85.10184	10.1
91.05469	1.2
91.65727	0.5
93.07047	1.1
95.04952	0.8
95.08648	1.1
97.06528	1.8
100.11248	0.8
101.02371	2.6
107.08588	6.6
109.06509	0.9
109.10146	1.4
111.04465	1.2
111.08087	2.1
121.10154	0.5
123.07996	0.6
125.09634	16.4
129.06969	0.6
135.08034	1.5
135.11694	0.9
137.05992	1.0
143.08499	1.0
145.10141	0.8
149.09607	1.9
153.09103	84.5
156.09331	0.7
163.11195	1.5
166.07764	0.9
167.06979	0.5
169.08655	1.2
171.11684	0.9
177.09122	1.5
181.10182	1.0
184.08826	0.6
195.10168	100.0
196.10466	0.6
199.11166	1.4
209.09702	1.0
209.11858	0.5
227.10649	3.6
227.12796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
50.87634	1.1
52.14603	1.2
53.10593	1.1
55.01871	2.5
55.05277	1.2
55.05514	14.5
57.03426	3.8
57.07060	3.2
59.04993	2.1
62.03472	1.2
65.55492	1.0
67.05505	8.0
68.99795	12.8
69.03423	4.2
69.07088	7.9
69.07401	1.7
70.77513	3.4
71.04984	4.0
79.05505	8.0
81.07066	15.5
83.04980	4.1
83.08623	38.1
85.06520	4.1
85.10191	6.1
91.05482	25.3
93.07051	15.2
95.04974	29.2
95.08584	5.5
97.06528	3.3
97.10146	3.8
99.04442	2.2
99.08105	1.5
100.11251	8.2
101.02388	9.4
105.04642	1.1
105.07027	5.1
107.04922	2.9
107.08596	59.2
109.06525	33.8
109.10168	13.5
111.04417	3.0
111.08089	100.0
112.48798	1.1
113.96410	2.4
119.03398	3.1
119.04928	1.2
119.08594	2.4
121.06505	3.3
121.09348	1.2
121.10127	7.2
125.09651	18.0
126.04344	1.2
127.07558	3.7
129.07010	1.9
131.08566	1.5
133.10104	1.3
135.08064	14.1
135.11731	1.3
137.05991	8.8
137.06902	1.6
140.05434	1.2
141.09077	1.4
143.08565	1.3
145.10126	2.3
149.09639	12.5
151.07574	4.2
153.09111	62.3
155.07048	8.8
163.11166	4.7
167.07008	2.4
167.10719	7.2
169.08614	83.7
171.11705	1.5
173.13202	1.2
177.09128	4.9
181.12210	1.5
182.81783	1.2
185.10187	2.1
185.11754	28.9
185.13405	1.7
190.13344	1.1
191.10675	1.7
191.14287	2.3
195.10179	70.1
209.11681	4.1
209.14977	1.5
221.36151	1.1
227.10704	1.9
227.12595	7.9
227.14601	2.1
227.17529	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	227.0916
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
50.13927	0.5
51.58327	0.5
52.64702	0.6
53.03941	1.3
54.94865	0.5
55.01875	7.5
55.05518	5.4
56.88995	0.5
56.96553	0.6
57.03429	1.9
57.07070	1.3
59.04998	1.1
61.02924	0.6
65.03947	6.5
67.05512	8.4
67.05850	1.1
69.03431	5.8
69.07069	6.9
70.06573	0.8
70.63648	1.6
71.04996	5.5
72.93786	2.3
73.02922	37.6
73.06544	1.0
79.05495	6.5
81.03414	2.4
81.07056	7.3
82.04191	2.2
83.04988	2.8
83.08617	2.6
84.08112	0.8
85.02906	5.4
85.06553	3.9
86.09700	1.4
87.04465	0.5
91.05499	4.9
93.03384	2.2
93.07053	7.9
95.04970	7.7
95.08622	5.4
97.02894	2.1
97.06533	5.2
97.10171	1.7
98.97581	1.9
98.98347	0.5
99.04462	4.8
99.08076	1.5
100.11262	12.7
101.06008	0.6
103.05471	1.7
105.03422	0.6
105.07038	4.7
107.04953	1.8
107.08598	13.2
108.02081	0.9
109.02880	1.5
109.06532	3.1
109.10181	5.0
110.03674	2.6
111.04430	2.3
111.08068	2.3
113.05997	1.0
113.96435	3.6
115.07520	0.8
116.98618	0.7
117.06999	1.3
118.04162	0.8
119.08608	3.1
121.02854	0.6
121.06507	3.8
121.10152	9.7
123.00796	0.6
123.04441	8.7
123.08093	4.4
123.11710	1.8
125.02367	1.6
125.06019	3.2
125.09663	2.8
127.03878	1.4
127.07565	0.6
131.08560	3.4
131.97456	1.7
133.10149	4.5
135.08110	3.2
135.11755	2.7
137.06004	1.6
137.09601	1.7
138.03123	1.8
138.81149	0.6
139.07562	0.8
139.11186	2.3
140.04691	46.4
142.02658	3.2
145.10175	2.7
146.99536	0.8
147.11671	1.5
149.05980	1.8
149.09616	3.6
149.13286	4.3
151.07397	2.2
151.11189	3.0
153.03036	0.6
153.05476	3.7
153.09120	1.4
155.07043	67.1
162.99010	1.3
163.07527	0.8
163.11171	4.4
163.14813	1.9
165.08856	1.0
165.12727	1.6
166.06230	1.0
167.07057	5.6
167.10686	1.8
169.08661	3.5
171.06544	4.8
173.08121	3.2
173.09517	1.3
173.13254	3.6
177.05444	1.3
179.07080	2.8
181.04968	100.0
181.08395	5.0
181.12108	2.9
182.05310	0.7
182.11830	0.6
191.10715	3.8
191.14343	4.0
207.01587	0.8
209.08089	23.1
209.11784	2.2
209.15359	2.9
219.44279	0.5
227.09149	25.5
227.12450	3.3
227.16373	3.7
227.17696	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	226.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11277	26.6
62.56811	26.9
69.07063	51.2
70.07404	52.8
71.51080	34.9
84.26996	31.8
101.16541	31.9
114.60569	29.8
127.03912	53.7
127.78060	33.8
162.05496	36.6
163.91489	28.7
164.25818	31.4
180.06638	46.2
194.08145	47.7
208.06052	100.0
208.09711	31.8
209.12904	31.2
222.98839	29.7
226.01105	80.5
226.07083	70.2
226.14690	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	227.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01874	7.2
55.05508	5.8
56.96564	1.6
57.03440	1.1
57.07075	1.8
59.05000	1.1
65.03940	5.4
67.05503	9.6
69.03436	12.0
69.07067	10.7
69.64879	5.8
70.06593	0.9
71.04993	15.0
71.43607	0.9
72.93784	2.2
73.02921	39.7
79.05500	6.9
80.78574	0.8
81.03384	1.2
81.07057	7.2
82.04193	2.5
83.04980	3.5
83.08609	4.6
84.04504	3.9
84.08128	1.7
85.02875	4.4
85.06541	8.0
86.09710	8.8
90.94830	1.3
91.05489	6.3
93.03408	2.5
93.07050	13.6
95.04971	8.8
95.08607	9.3
97.02934	1.1
97.06538	8.7
97.10171	3.8
98.97601	1.8
99.04472	6.4
99.08115	5.4
100.11255	4.6
103.05486	1.0
105.07037	8.2
107.04974	2.7
107.08598	15.4
109.06539	5.6
109.10165	14.7
110.03668	3.8
111.04470	2.5
111.08064	4.0
113.96416	4.3
115.07558	1.0
117.07030	1.2
119.08579	5.7
121.06512	4.9
121.10146	10.3
123.04433	10.4
123.08079	14.1
123.11717	3.3
125.02357	1.9
125.05995	2.5
125.09630	8.0
127.07552	2.9
127.11182	5.7
128.06218	0.9
131.08592	2.8
131.97427	2.8
133.10132	7.0
135.04422	2.0
135.08054	4.1
135.11703	3.8
137.05978	2.1
137.09654	2.2
138.03142	2.3
139.03932	1.8
139.11220	1.6
140.04689	49.0
142.02588	2.7
145.10149	3.3
149.06003	2.2
149.09622	3.4
149.13261	4.4
151.07565	1.7
151.11182	20.3
151.29387	1.0
153.05429	2.6
153.09148	2.0
155.07036	66.3
163.07507	1.7
163.11220	7.4
163.14824	2.7
167.07063	2.8
167.10609	1.4
167.14351	1.4
169.08644	4.6
169.12236	4.1
171.06543	4.7
173.08119	3.2
173.09624	1.4
173.13275	7.4
177.05540	1.4
179.07097	2.1
181.04962	100.0
181.08426	5.4
181.12273	3.1
191.10704	3.3
191.14296	9.2
209.06090	1.3
209.08080	22.8
209.11769	2.5
209.15320	18.2
227.09097	24.9
227.12804	2.4
227.16467	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03944	1.4
53.32777	0.9
55.05513	4.1
57.03439	1.1
57.07080	7.4
59.05007	5.1
67.05518	4.9
69.03434	4.3
69.07076	6.3
70.08726	2.3
70.09143	1.5
71.04992	3.7
79.05491	8.1
81.03416	2.9
81.07062	12.0
83.04990	23.3
83.08620	2.3
84.08115	0.9
85.02901	1.7
85.06553	3.9
87.04462	2.0
91.05489	8.0
93.07047	15.3
95.04994	5.1
95.08608	11.0
97.06541	13.2
97.10178	0.8
99.04448	5.5
99.08075	2.0
101.95042	7.4
105.03384	3.5
105.04507	1.2
105.07040	15.7
107.04972	1.7
107.08594	17.1
109.06518	6.8
109.10156	3.3
111.08067	1.6
113.05979	1.8
115.05476	0.8
117.07024	3.1
119.04925	2.4
119.08587	16.1
119.96082	2.3
121.06488	3.0
121.10150	35.3
123.08074	23.2
123.11694	4.5
125.06004	46.2
125.09559	0.9
127.07554	1.9
130.07779	0.9
131.08565	2.7
132.01944	0.9
133.06555	1.9
133.10118	3.5
135.08037	3.6
135.11732	5.4
137.06012	0.9
137.09613	2.5
137.13287	1.5
139.07555	2.9
139.11221	1.6
141.09154	1.1
142.97607	1.1
143.08546	1.1
145.10149	8.7
147.04391	2.1
147.08031	2.2
147.11714	6.2
149.09619	7.3
151.07565	21.5
151.11189	17.4
156.09361	1.5
160.98708	1.8
161.09592	1.6
161.12163	1.0
161.13290	10.1
162.37405	0.7
163.11191	100.0
165.09099	2.1
165.12827	5.5
167.10655	2.4
169.08640	2.2
171.11674	3.6
174.10374	1.2
175.03893	1.1
175.45740	1.0
179.10771	1.1
179.14316	10.0
181.12244	13.4
183.13803	2.2
183.52525	1.0
189.09041	1.1
189.12747	11.8
192.04111	0.8
200.73012	0.9
207.06511	2.5
207.10315	1.8
207.13814	34.0
225.09081	2.2
225.14854	46.1
225.19664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.76127	2.0
53.03955	5.5
55.01863	4.1
55.05506	16.6
57.03431	2.7
57.07057	4.8
59.05001	12.0
65.03935	3.3
67.05182	2.9
67.05506	34.4
69.03432	100.0
69.07058	15.9
71.04996	6.3
71.25008	4.8
77.03909	3.1
79.05495	27.9
80.02642	2.9
81.03417	6.8
81.07062	49.5
83.04495	4.0
83.04983	70.0
83.08610	8.6
85.02918	13.1
85.06549	5.6
87.04448	3.3
91.05476	23.1
93.07047	28.2
95.04964	15.4
95.08617	37.9
97.02897	5.1
97.06524	15.6
99.04460	8.5
99.08084	19.8
101.95033	4.4
105.03393	7.2
105.07034	60.5
107.04942	5.1
107.08596	38.9
109.06522	91.9
109.10158	15.8
110.58015	2.3
111.04446	23.3
111.08078	10.9
113.09582	3.5
117.07011	6.3
119.04935	5.5
119.08596	37.6
121.06524	10.0
121.10139	35.5
122.07305	6.2
123.04442	15.9
123.08073	94.3
123.11690	15.6
125.06014	3.3
125.09641	14.4
127.07529	4.2
128.06247	2.8
131.08568	3.4
133.06476	15.7
133.10139	58.4
135.08006	5.4
135.11697	5.9
137.05966	8.7
137.09625	53.6
137.13280	2.8
139.11183	36.9
141.09108	15.0
143.08559	4.2
145.10121	8.4
147.04430	2.6
147.08037	8.4
147.11681	45.5
149.09602	20.6
151.07587	17.7
151.11185	34.0
156.09341	8.2
159.08060	4.0
159.11708	8.8
161.09550	7.2
161.13272	19.3
163.11157	13.2
165.09105	2.9
165.12772	21.0
167.10674	15.1
169.08614	8.3
171.11685	15.0
174.10457	11.8
175.03874	5.6
177.12700	5.2
179.14345	3.3
181.12276	4.1
189.12764	39.1
196.25406	2.3
207.06544	8.9
207.13811	89.0
225.09102	3.7
225.14825	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05495	4.6
57.03443	1.6
57.07059	4.1
58.47516	1.2
59.04977	3.7
66.14667	1.3
67.05504	19.6
69.03419	2.3
69.07065	1.4
70.10016	5.0
71.04977	4.4
76.40421	1.4
79.05481	3.3
81.07048	4.6
83.04933	1.9
85.06554	10.0
88.30569	1.1
91.05468	3.3
93.07057	6.5
95.04942	2.9
95.08611	100.0
97.06508	1.6
97.10161	2.2
99.04465	9.3
99.08002	1.3
101.06026	1.3
105.07062	7.5
107.08590	10.6
109.06526	9.2
109.10128	1.4
111.08108	1.7
113.06005	8.9
119.08608	12.9
121.06558	1.7
121.10139	7.7
123.08073	39.3
123.11668	2.7
131.08539	1.5
133.10092	1.9
135.11707	8.1
137.09602	2.3
137.13083	1.4
141.09077	2.8
147.11664	5.3
149.09642	20.5
151.11197	3.1
151.14812	2.2
161.13272	7.1
163.11160	1.4
165.09190	1.5
165.12738	5.8
167.10719	1.7
179.14287	2.4
183.13786	3.9
189.12766	8.2
207.13789	12.2
225.14801	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	225.1488
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03946	1.1
55.05518	4.5
57.03443	1.0
57.07079	4.3
59.04994	2.6
64.39372	0.8
67.05493	2.6
69.07076	5.4
69.44284	0.8
70.84523	1.9
70.84859	1.0
71.01353	1.5
71.05003	34.0
79.05505	4.9
81.03433	2.0
81.07069	9.4
83.04998	5.0
83.08624	5.9
84.64475	0.8
85.02905	2.6
87.04487	1.4
91.05487	2.9
93.07044	4.5
95.04974	2.6
95.08625	9.6
97.06552	12.4
99.04469	100.0
99.08082	1.3
99.87045	0.9
101.95049	2.0
105.03416	2.3
105.07037	7.4
107.08607	35.3
109.06531	23.6
109.10142	2.9
111.08088	1.8
111.11746	1.8
113.09650	3.5
119.08586	5.1
121.06524	2.1
121.10160	13.8
123.08076	17.1
123.11731	14.2
125.09654	7.6
127.07588	1.6
131.08589	1.7
133.10161	2.2
135.11742	1.0
137.09631	3.4
137.13263	2.5
139.11201	3.9
141.09180	1.2
141.12766	1.6
145.10075	1.5
147.08057	1.9
147.11726	6.5
149.09627	11.5
151.07558	1.7
151.11189	5.1
155.10614	1.1
157.74985	0.9
161.13289	2.6
163.11221	1.1
165.12776	12.2
167.10704	28.9
167.12128	1.5
171.11816	0.9
175.96379	1.1
179.14372	2.3
183.13828	38.1
189.12709	5.7
207.13840	11.3
225.14873	22.6
225.16925	1.6
244.57503	0.9
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	Sundiversifolide
Peak:m/z	Relative Intensity
51.79492	1.5
55.05502	5.7
57.07053	2.9
59.04986	2.6
63.82003	1.4
67.05509	7.4
69.03428	9.5
69.07056	6.4
70.76404	3.0
71.04969	5.1
79.05500	8.0
80.57039	1.4
81.07053	29.3
83.04974	9.7
83.08601	2.7
85.02903	100.0
85.06528	2.9
87.04484	2.6
91.05479	8.3
93.07040	12.5
95.04942	2.7
95.08605	15.8
97.06523	3.8
99.04431	6.8
105.03381	2.4
105.07018	19.2
107.04938	2.5
107.08591	22.8
109.06497	7.3
109.10149	17.0
111.08040	2.3
118.83319	1.4
119.04922	2.3
119.08595	12.6
121.06487	5.3
121.10149	12.7
122.07191	1.8
123.08064	17.4
123.11707	82.3
125.05983	6.6
131.08615	2.1
133.06491	2.8
133.10126	6.1
135.11728	3.8
137.06003	1.9
137.09575	11.7
139.11157	4.6
141.09077	1.9
145.10092	5.8
147.08035	4.5
147.11633	8.2
149.09604	19.7
151.07545	8.3
151.11183	17.0
156.09303	3.0
159.11729	1.6
161.09625	2.2
161.13258	10.4
163.11169	10.2
165.09180	2.0
165.12730	6.8
167.10680	3.4
171.11667	4.7
174.10483	2.3
179.14268	3.0
179.80363	1.6
181.12207	1.6
183.13773	2.4
189.12750	23.9
207.13802	52.9
225.14819	15.3
225.63777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03928	3.0
55.01854	5.9
55.05501	12.9
57.03424	4.2
59.05001	24.6
67.05507	27.0
69.03411	8.5
69.07052	11.0
70.95510	3.2
70.95826	4.7
71.04976	6.2
77.03951	3.4
79.05496	25.7
81.07050	25.5
83.04965	9.4
85.02901	4.0
87.04478	3.6
91.05470	24.5
93.07037	29.0
95.04967	18.1
95.08608	23.9
97.06536	6.6
99.04430	5.6
103.05529	3.6
103.06190	2.7
105.03430	4.2
105.07033	72.2
107.04937	8.6
107.08590	93.6
109.06525	29.3
109.10165	22.5
110.00975	2.8
111.08075	6.1
117.07018	6.7
119.08586	56.4
121.06490	16.2
121.10151	15.4
122.07230	5.8
123.08070	98.7
125.06043	8.1
125.09589	4.6
129.98830	2.6
131.08618	6.0
132.38356	2.6
133.06487	10.1
133.07536	3.5
133.10124	21.4
135.07101	4.7
135.08055	40.0
135.11696	45.9
137.09615	100.0
137.13179	4.1
143.08543	6.7
145.10123	4.9
147.08069	5.5
147.11661	24.8
149.09642	17.0
151.07500	12.4
151.11180	9.4
153.09151	26.2
156.09364	6.3
159.11684	5.8
161.09676	4.5
161.13257	42.4
163.11183	8.2
171.11734	10.4
177.12788	5.4
189.12744	16.5
207.13882	15.4
207.15550	3.2
218.13896	3.0
225.14842	7.0
246.46576	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03930	6.4
55.01870	3.3
55.05518	29.7
56.96571	2.1
57.03428	4.9
57.07058	3.7
67.05184	3.0
67.05512	44.6
69.03428	4.2
69.07066	13.4
69.71928	13.2
71.04982	5.3
73.06564	3.6
79.05499	83.9
81.03411	6.1
81.07063	40.5
83.04988	32.8
83.08612	5.5
85.06524	5.2
87.04481	2.6
91.05486	52.1
93.07051	100.0
95.04977	19.2
95.08614	25.3
97.06522	7.2
97.10165	5.8
99.04436	10.0
99.08115	2.3
101.95041	18.4
105.03385	7.0
105.07039	47.7
107.04947	3.5
107.08598	23.7
109.06520	14.0
109.10132	7.2
111.08076	3.1
117.07008	8.9
119.08585	23.4
119.96101	5.9
121.10171	13.3
123.08060	11.0
123.11674	4.2
125.05954	3.3
125.09608	2.9
127.07576	2.4
128.06226	4.3
129.07014	19.1
131.08604	2.5
133.10156	12.0
137.05942	2.9
143.08580	10.5
145.10187	12.9
147.08049	4.7
147.11694	49.0
149.09642	4.3
151.11209	22.9
156.09300	3.1
160.98689	3.3
161.09633	7.2
161.13301	17.0
165.12764	5.6
167.10686	4.2
171.11702	27.0
179.14313	5.4
189.12825	11.5
207.13831	24.9
225.09088	3.9
225.12875	2.1
225.14816	37.5
225.16872	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	225.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01861	4.0
55.05511	52.9
57.07069	3.4
58.99575	1.8
59.04988	2.3
62.99080	16.2
65.03939	3.0
67.05499	3.7
69.03423	2.8
69.07070	3.5
69.25388	2.6
69.25793	10.4
71.01366	2.0
71.04982	2.4
73.06550	2.1
74.02440	27.7
74.99062	11.8
78.98543	4.6
79.05480	2.0
81.03423	2.1
81.07061	4.6
83.04999	2.2
85.01133	1.7
85.02892	2.2
85.10184	1.4
87.02696	12.6
87.04475	11.6
88.03982	5.0
91.05466	2.9
92.05001	4.8
93.00112	7.3
93.07040	5.4
95.04964	2.8
95.08593	5.9
98.98447	2.0
99.04477	2.8
102.98535	5.8
103.02153	3.8
103.03942	43.4
105.03769	42.5
105.07018	6.6
107.01648	5.0
107.08595	6.3
109.06540	3.7
109.10140	1.7
110.06045	100.0
118.04176	1.4
119.08504	2.4
120.99599	1.6
121.03195	13.2
121.10150	3.2
123.04793	7.8
123.08060	2.3
123.11698	2.6
127.03905	2.0
131.08603	1.3
133.08427	1.7
133.10123	2.2
134.06041	4.7
135.01117	61.5
137.07950	2.7
147.04745	19.3
147.08116	1.3
147.11639	2.7
149.09662	2.2
151.07547	1.9
151.11169	12.4
153.02190	2.8
161.07115	5.4
161.09630	1.3
161.13225	2.9
165.05806	3.5
167.10764	1.7
175.04195	1.9
179.08025	8.6
189.12767	1.5
190.04974	1.7
193.05334	5.1
198.93256	1.3
207.06766	33.9
207.13730	11.8
225.07817	29.3
225.12752	2.1
225.14882	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	225.076
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.01618	0.5
53.03942	1.2
55.01852	0.8
55.05512	2.2
56.05842	0.4
57.07071	1.1
58.31877	0.4
59.04992	1.1
65.03932	2.2
67.05497	1.6
68.99766	0.5
69.03429	1.6
69.07064	1.1
70.06565	0.4
71.04991	2.1
71.48278	0.7
75.88454	0.4
77.03922	1.4
79.05502	2.4
81.03416	0.7
81.07064	3.6
83.04978	2.0
83.08607	1.1
85.02915	3.1
85.06519	0.5
87.04475	0.7
89.03896	0.9
90.04681	0.5
91.05486	35.2
93.07059	3.7
95.04977	3.6
95.08610	3.0
97.06518	1.5
99.04463	4.7
101.95047	0.7
103.05457	1.5
105.03415	3.6
105.07028	4.0
107.04963	1.3
107.08597	4.9
108.05735	0.8
109.06536	3.5
109.10154	2.1
111.04438	0.7
111.08086	0.7
113.09591	0.4
118.04172	5.5
119.04949	44.8
119.08576	3.4
120.08122	0.8
121.02849	1.1
121.06491	1.5
121.10154	3.7
122.32703	0.4
123.04444	1.3
123.08102	4.0
123.11698	2.6
125.05981	1.0
125.09601	0.5
128.06194	0.5
129.03358	1.0
131.08485	0.5
132.02098	3.3
133.02881	1.1
133.06529	0.6
133.10135	1.6
135.04407	1.3
135.08031	0.4
135.11673	0.9
136.05182	1.5
137.05957	1.1
137.09659	1.9
137.13252	0.4
139.11203	0.5
143.08553	0.5
145.02840	0.8
145.10136	0.9
146.03621	1.0
147.04417	37.2
147.08066	1.2
147.11650	2.0
149.02368	4.5
149.09644	2.1
151.03900	0.6
151.07553	1.2
151.11198	3.3
153.05428	0.8
153.09048	0.5
155.07047	0.6
156.09335	0.5
157.03970	3.8
159.11705	0.6
161.09619	1.5
161.13303	2.8
163.03838	0.7
163.11195	1.4
164.04688	3.8
165.09103	1.6
165.12711	1.1
166.06310	0.4
167.10678	2.3
171.11728	0.7
174.03107	1.4
175.03915	65.2
177.01869	2.3
179.01599	0.4
179.07037	3.2
179.10684	1.1
179.14310	1.4
181.08650	0.5
183.06555	0.9
183.13820	1.1
185.62544	0.4
189.09045	0.6
189.12738	2.3
192.04184	19.5
207.06537	100.0
207.13809	6.9
225.07410	1.3
225.09271	0.6
225.11076	0.6
225.14799	4.0
243.35956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11313	1.8
71.27081	3.7
71.27410	2.4
78.98334	2.0
82.99843	6.9
97.19070	2.0
101.00888	60.1
119.01931	100.0
124.02449	10.9
137.02957	12.6
142.03499	58.3
158.99930	2.9
160.04588	8.3
161.02946	36.2
165.05016	2.5
177.00966	11.6
179.04027	35.4
184.04581	9.2
202.05626	5.4
207.13771	2.8
219.01950	10.4
243.02052	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	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.05507	1.4
57.07056	1.2
58.06587	3.1
59.05001	1.3
59.23591	0.9
63.56253	0.9
67.05504	1.0
68.05019	1.4
68.99699	0.9
69.03400	1.1
70.07310	4.3
72.08134	3.8
79.05499	5.1
80.04998	1.1
81.07079	1.1
84.08131	1.4
86.09695	1.2
91.05487	8.9
93.07024	2.4
95.04964	1.8
99.82855	1.1
103.05468	11.1
105.03400	1.6
105.07036	32.5
107.04957	5.8
107.08625	1.2
108.04453	1.3
109.34093	1.2
117.07092	1.1
118.06566	13.3
119.04939	2.3
119.07359	1.7
120.08112	22.4
122.06815	1.0
125.05963	1.0
128.06221	5.0
130.06512	3.0
131.04909	3.5
131.07281	3.4
131.08395	1.3
132.08092	2.5
136.07565	8.3
143.08568	3.9
146.05991	1.1
150.02643	1.3
151.11221	1.9
160.11224	100.0
162.05487	1.1
164.07104	1.7
165.17662	1.1
173.12852	1.3
178.04962	1.4
178.08687	3.4
178.12277	88.9
206.08203	1.6
206.11761	16.2
207.13818	1.3
224.09239	4.3
224.12825	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0917
Annotation	N-Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
55.05513	1.3
56.05023	1.0
62.99060	0.9
64.30230	0.6
69.37565	3.3
69.37969	1.6
70.06583	1.7
72.08146	1.0
79.05488	2.6
81.07045	0.8
83.04979	0.7
84.04491	1.5
84.08147	2.2
86.09707	1.0
88.03985	0.9
89.78846	0.6
89.97456	0.7
91.04989	0.6
91.05478	4.2
93.07078	0.8
93.38876	0.7
95.05035	0.7
98.97569	0.6
101.93513	0.6
103.02216	1.1
103.03954	1.4
103.05480	5.7
105.03749	1.6
105.07041	16.4
107.04959	2.4
108.04505	1.6
110.06047	3.3
110.56536	0.8
115.05453	0.9
117.05798	4.8
119.04942	1.9
119.07272	3.2
120.08068	1.5
121.06488	1.6
123.04440	1.9
123.08067	0.7
129.10255	1.1
130.06541	4.5
131.04926	2.2
132.08099	85.2
134.05991	1.5
135.01132	1.0
136.07581	9.6
136.12090	0.8
143.03424	0.8
145.04770	0.8
147.04524	0.8
150.02693	1.1
150.09103	1.6
151.11157	0.7
158.63560	0.6
162.05522	6.7
163.05869	20.9
164.07039	1.3
165.05472	1.3
178.08644	100.0
182.08167	2.0
206.04308	1.0
206.08247	1.0
224.00117	0.7
224.07228	1.5
224.09221	10.8
224.11143	0.6
224.12947	2.2
226.04286	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.05505	7.2
57.07060	9.2
59.05003	66.7
62.43317	2.1
67.05490	9.8
69.03429	3.9
69.07059	8.0
71.04975	3.5
73.06178	3.2
73.06559	37.8
77.19630	2.3
79.05484	9.1
81.07053	21.9
81.66706	2.3
83.04980	5.9
83.08585	4.1
85.06545	19.2
91.05487	24.0
93.07047	24.3
95.04978	3.4
95.08606	18.2
97.06541	5.1
98.21569	4.7
101.06004	6.7
105.07041	53.3
107.08606	73.9
109.06440	3.7
109.10153	29.6
111.08060	5.6
117.07030	17.8
119.07819	4.3
119.08587	50.5
121.06506	7.1
121.10139	15.3
123.08065	18.3
123.11676	7.7
125.09641	7.7
129.06976	2.7
131.08569	93.6
133.10146	54.5
135.08069	28.9
135.11642	4.0
137.09550	3.5
139.11154	6.6
143.08495	6.2
144.09370	4.4
145.10135	20.3
147.11696	39.2
149.02350	8.7
149.09625	21.3
149.13246	10.4
151.11177	6.0
158.10864	13.9
159.44627	2.6
163.11163	6.6
163.14862	4.8
165.12755	10.6
167.10669	6.9
173.13268	100.0
175.14816	26.0
179.14218	3.2
191.14326	30.1
193.15829	3.9
205.12346	2.6
205.15895	27.9
223.13222	5.6
223.14937	6.4
223.16911	98.4
225.04245	9.1
229.00645	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03945	9.9
55.01870	5.7
55.05502	12.0
57.03413	3.3
57.07065	9.5
59.04995	13.7
63.12264	3.0
67.05505	33.9
67.29345	2.6
69.03432	8.6
69.07067	37.2
71.04997	32.8
73.06551	7.1
79.05498	33.0
81.03420	56.7
81.07057	38.4
83.04987	8.2
83.08624	8.4
85.06535	9.1
89.06042	3.6
91.05473	27.0
93.07044	40.8
95.04971	100.0
95.08610	54.4
97.02919	4.8
97.06533	30.8
98.97557	3.7
99.08089	6.1
102.25768	3.3
103.05473	5.2
105.03418	4.0
105.07026	31.2
107.04955	12.1
107.08600	46.2
108.68003	3.8
109.06518	16.8
109.10168	15.4
111.08064	13.2
113.09653	10.3
115.05473	3.7
117.07024	21.4
119.08582	20.9
121.06511	12.1
121.10158	43.5
123.08061	23.4
123.11690	4.6
125.05990	8.7
125.09611	7.2
126.41174	3.1
129.06967	6.5
129.09116	13.6
131.08559	39.7
133.10120	29.4
135.04378	4.2
135.08060	77.7
135.11708	15.6
137.05991	5.1
137.09566	15.5
139.07527	3.9
143.08505	3.9
144.09338	4.7
145.06520	6.7
145.10118	36.5
147.08047	15.3
147.11690	8.3
149.02338	31.8
149.09590	26.3
149.13231	16.2
151.11215	5.3
152.11984	10.0
153.05470	25.8
153.12750	29.0
155.08557	5.8
158.10971	3.1
159.11723	6.5
161.09598	5.4
163.11197	64.0
163.14815	10.0
165.07047	6.1
165.09062	4.7
165.12706	5.7
167.07083	15.0
173.09644	14.6
173.13255	29.3
177.00764	3.9
177.12726	6.0
179.08560	5.5
181.10141	8.3
181.12263	6.8
191.10670	11.7
191.14317	77.2
193.10129	13.8
195.11774	4.8
205.10443	5.1
205.12268	14.0
205.15878	20.0
208.12425	10.1
223.06020	9.6
223.07863	4.1
223.11143	13.1
223.13257	30.0
223.14857	24.6
223.16716	60.7
225.04362	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	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03950	1.3
55.01881	1.0
55.05508	2.3
56.96566	0.7
57.03456	0.9
57.07083	9.4
59.05002	2.6
65.03938	0.7
65.91721	0.4
67.05506	3.6
67.37312	0.5
67.61229	0.5
69.03436	2.9
69.07069	1.8
70.06574	0.6
71.04994	1.1
71.16634	1.1
73.02897	0.6
79.05497	7.3
81.03441	2.4
81.07061	6.7
83.04996	3.7
83.08633	1.4
84.08197	0.5
85.02907	6.2
85.06573	0.6
91.05481	4.8
93.07053	9.7
95.04973	6.2
95.08618	3.6
97.02901	1.4
97.06538	5.3
98.97601	0.7
99.04430	0.5
99.08099	0.7
103.05487	0.8
105.03403	0.8
105.07039	6.6
107.04936	2.5
107.08598	12.3
109.06517	3.3
109.10159	3.1
111.04424	0.9
111.08080	1.8
117.07040	3.4
119.08585	5.7
121.06500	3.8
121.10161	9.9
123.04440	0.8
123.08092	4.4
125.06006	25.7
125.09665	0.8
128.06200	0.7
130.07790	2.0
131.08578	2.0
133.10159	1.6
135.08052	2.2
135.11723	6.1
137.05981	10.5
137.09564	1.3
138.06744	3.4
139.07555	6.7
139.11189	1.7
143.08588	0.8
144.09267	0.9
145.06494	1.6
145.10138	8.7
147.08113	1.3
149.02357	9.7
149.05992	1.9
149.09613	1.6
151.07542	2.1
151.11206	0.5
157.79196	0.5
159.08102	0.8
159.11714	2.7
161.09625	0.9
162.03165	0.6
163.11191	100.0
164.11696	0.5
165.09116	1.4
167.07048	67.7
168.07446	0.5
177.09108	0.6
177.12772	1.6
178.13127	1.6
179.10846	0.6
181.12242	4.3
182.51712	0.6
187.11226	1.4
205.10426	1.0
205.12263	11.0
205.15857	0.9
223.06079	2.2
223.11308	1.7
223.13271	14.6
223.16893	1.6
225.04291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03944	0.6
55.01861	1.8
55.05511	5.5
56.96584	0.8
57.03431	0.7
57.07077	1.8
57.53307	0.3
59.05009	0.8
65.03936	1.9
67.05505	6.4
69.03433	7.9
69.07073	4.8
70.97883	0.6
70.98205	0.5
71.04988	3.2
78.56821	0.4
79.05495	6.3
81.03414	3.2
81.07055	12.0
83.04975	2.9
83.08626	2.8
85.02908	2.9
85.06537	0.9
91.05482	5.1
93.07047	9.2
95.04969	100.0
95.08605	9.3
96.05295	0.5
97.02895	13.6
97.06560	2.2
99.08060	0.5
105.07031	5.2
107.04948	1.5
107.08593	5.9
109.06516	5.0
109.10116	1.0
111.04475	1.1
111.08087	1.3
117.07024	3.6
119.08585	4.7
121.02870	3.4
121.03679	0.5
121.06519	3.7
121.10141	6.7
123.08078	6.8
125.05984	1.7
125.09640	1.5
129.07019	0.8
130.07784	0.7
131.08568	1.5
133.10130	1.2
135.08061	1.4
135.11694	6.0
137.09596	1.0
139.07536	0.6
139.11188	1.5
141.06955	0.7
141.09100	0.7
143.08554	0.6
145.06519	0.7
145.10114	7.1
147.08046	4.3
149.02342	48.1
149.09610	0.7
153.09088	0.7
153.12721	1.9
157.05167	0.6
159.11681	3.1
161.09619	1.6
163.11182	19.9
165.09096	4.6
165.10352	0.5
167.06990	0.8
169.10155	1.1
174.08009	0.5
177.12729	2.7
181.12239	12.4
182.06612	0.5
183.08664	0.8
187.11174	2.7
188.91290	0.4
192.09082	0.7
201.09680	0.5
205.12231	3.8
223.11499	0.6
223.13268	14.5
223.16913	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02394	0.1
53.03941	0.5
55.01876	1.0
55.05513	4.2
57.03427	0.2
57.07080	0.1
57.83838	0.1
59.05005	0.2
64.99189	0.1
65.03934	0.9
67.05506	5.1
69.03434	0.6
69.07069	4.0
69.84595	0.6
71.04993	1.3
73.06585	0.2
79.05499	3.9
81.03424	3.4
81.07058	7.0
83.04984	1.7
83.08636	1.8
85.02904	2.9
85.06553	0.5
87.04475	0.2
87.08105	0.3
91.05483	4.1
93.07051	4.0
95.04971	100.0
95.08604	4.6
96.05308	0.4
97.02872	0.2
97.06545	1.0
99.04501	0.2
99.08095	0.4
103.05504	0.4
105.07034	2.6
107.04966	1.0
107.08602	2.4
109.06524	3.3
109.10138	0.1
111.04490	0.2
111.08070	0.2
115.05472	0.3
117.06224	0.2
117.07021	2.4
119.08583	3.4
121.06507	2.9
121.10139	2.2
123.08069	3.4
125.05987	0.4
128.06236	0.4
129.07018	1.0
130.07768	0.4
131.08553	1.2
133.10117	0.7
135.08063	1.5
135.11691	2.5
137.05978	0.2
139.07594	0.1
141.06995	0.4
141.09091	0.2
143.08588	0.9
144.09334	0.1
145.06509	0.5
145.10129	4.8
146.07239	0.1
147.08046	3.5
149.02307	0.5
149.09587	0.3
149.13312	0.3
151.87740	0.1
154.07780	0.3
159.08032	0.2
159.11682	1.9
161.09628	0.9
161.39807	0.1
163.11185	15.3
164.11586	0.1
165.09105	0.3
167.07028	0.2
169.10126	0.7
177.12752	1.6
181.12288	0.3
187.11182	2.1
187.14903	0.1
205.10225	0.2
205.12227	2.6
223.05841	0.2
223.11320	0.3
223.13249	5.1
223.16910	0.4
225.04311	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	223.133
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.77565	1.2
51.02386	2.2
53.03949	49.0
53.04205	2.3
55.01880	9.8
55.05517	9.1
56.96562	1.8
57.07082	3.3
58.13700	1.3
65.03928	2.5
67.05509	59.8
69.03427	6.9
69.07069	8.5
69.64611	5.8
71.01344	2.8
71.04984	5.1
74.89553	1.4
77.53434	1.6
79.05498	34.1
79.32254	1.2
81.03423	100.0
81.07059	67.4
83.04993	13.8
83.08614	5.9
85.02919	2.5
85.06536	5.0
91.05490	20.9
93.06484	2.6
93.07050	37.0
95.04973	24.1
95.08614	38.6
97.02898	6.0
97.06530	6.0
103.05457	1.9
105.03411	1.4
105.07031	21.5
107.04961	26.3
107.08604	15.4
109.02882	1.2
109.06534	7.9
109.10176	4.1
111.04443	1.7
111.06398	1.4
111.08096	4.2
113.06038	1.5
115.05501	1.2
117.07021	16.7
119.08601	6.1
121.06515	13.6
121.10160	9.5
123.04433	1.8
123.08076	28.6
125.05984	4.6
125.09628	3.7
128.06238	1.5
129.06992	3.3
131.04927	1.8
131.08559	14.8
133.06497	3.7
133.10144	4.1
135.08058	5.2
135.11705	21.6
137.09615	2.0
139.07565	2.7
140.48271	1.5
141.06987	8.5
143.08565	2.3
145.06480	17.7
145.10156	7.1
147.08043	2.1
147.11684	1.4
149.02365	12.1
149.09634	3.4
149.13260	6.9
154.07703	1.8
159.08098	2.8
159.11725	18.2
163.11195	10.1
165.09090	3.0
167.07025	4.0
167.08463	1.5
169.10129	6.6
172.08899	1.6
173.97964	1.4
175.19652	1.4
177.12784	10.1
181.10138	2.0
181.12279	5.7
187.11194	12.7
193.10190	2.0
195.13823	1.9
205.10448	1.4
205.12227	6.9
205.15953	1.6
223.05948	2.2
223.11221	4.1
223.13310	8.9
223.15137	2.5
223.16907	3.5
225.04201	1.9
230.90358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.03050	0.2
53.03947	0.5
55.01879	1.2
55.05513	4.3
56.96580	0.7
57.03448	0.4
59.05012	0.6
65.03937	1.2
67.05141	0.2
67.05209	0.1
67.05505	5.0
69.03424	0.5
69.07069	5.2
71.04993	1.4
73.02906	0.3
73.06556	0.3
75.84124	0.2
79.05139	0.1
79.05492	4.4
81.03423	3.5
81.07055	8.4
83.04981	1.3
83.08620	2.8
83.09106	0.1
85.02908	3.2
85.06547	0.8
87.04459	0.2
87.08109	0.3
91.05481	3.8
93.07039	4.4
95.04967	100.0
95.08599	4.9
96.05290	0.3
97.02883	0.2
97.06503	1.1
98.20683	0.3
99.04470	0.2
99.08068	0.5
101.48869	0.2
103.05456	0.3
105.03364	0.3
105.07033	2.9
107.04960	1.2
107.08595	2.6
109.06516	3.4
109.07256	0.3
109.10156	0.5
111.04451	0.2
111.08094	0.4
115.05452	0.4
117.07013	3.0
119.08582	3.6
121.06501	2.9
121.10146	2.0
123.04405	0.2
123.08070	4.2
125.06020	0.3
125.09620	0.3
128.06184	0.2
129.07014	1.0
131.08566	1.5
133.10149	1.0
135.08037	1.4
135.11690	3.0
137.09546	0.2
139.07515	0.3
141.06950	0.5
141.09073	0.5
143.08569	0.9
144.09311	0.2
145.06438	0.6
145.10123	6.4
147.06967	0.2
147.08057	3.8
147.11674	0.3
147.81657	0.2
149.02315	1.4
149.05388	0.6
149.09567	0.6
149.13229	0.3
151.11197	0.2
154.07654	0.2
154.95821	0.2
158.05922	0.4
159.11696	2.3
161.09663	1.1
163.11179	16.9
165.09070	0.5
167.06996	0.3
169.10144	1.2
173.13263	0.4
175.08812	0.2
177.12732	1.8
181.10110	0.3
181.12108	0.3
182.09517	0.7
184.09209	0.3
185.44763	0.2
187.09509	0.2
187.11180	2.7
191.10146	0.9
193.09993	0.6
202.60979	0.2
205.10422	0.3
205.12236	2.8
205.15892	0.2
208.08601	0.2
208.12263	0.4
208.41052	0.2
223.05844	0.3
223.11206	0.6
223.13164	6.5
223.14795	0.6
223.16823	0.8
223.20387	0.2
225.04155	0.2
229.24834	0.3
237.08113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
57.07067	0.7
60.77586	0.3
67.05511	0.8
69.03419	1.4
69.07068	1.3
70.06583	1.0
71.50843	0.6
72.08147	0.5
73.02901	0.7
73.53959	0.4
79.05502	1.0
81.03411	0.9
81.07059	1.1
83.04986	0.8
84.08152	0.8
85.02896	0.7
86.93394	0.4
91.05481	1.5
93.07047	2.0
95.04966	1.4
95.08605	1.5
97.06515	0.6
98.98534	0.4
99.04491	0.4
102.50654	0.3
103.03952	1.1
103.05507	0.4
105.03417	0.7
105.07014	1.5
107.04964	0.8
107.08593	1.3
109.02911	0.5
109.06561	0.6
109.10155	0.4
111.08094	0.7
117.07028	1.1
118.06550	0.4
119.08617	1.7
121.02868	0.7
121.06494	1.5
121.10145	0.9
123.08071	2.5
125.05963	0.4
132.08115	0.8
133.10112	0.6
134.06039	0.8
135.08105	0.6
137.05954	0.5
137.09615	0.8
138.10329	0.5
139.07524	0.7
144.04440	4.0
145.06464	1.4
145.10135	0.8
147.08098	0.4
149.02371	5.3
149.05989	0.8
149.09680	0.8
151.11212	0.5
159.09233	0.7
159.11725	0.8
162.05516	100.0
163.03767	0.8
163.11162	1.8
165.09102	0.5
167.07072	1.0
169.06097	0.7
172.70711	0.4
174.05453	0.8
177.05428	0.7
177.09138	1.3
177.10440	0.6
177.12724	1.0
178.08685	0.4
191.08197	1.1
195.04887	0.5
205.05013	0.5
205.10234	0.7
205.12286	1.3
208.03720	0.4
223.02374	1.1
223.06149	2.2
223.11081	1.9
223.13295	2.5
223.16986	0.8
225.04312	3.6
227.02228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0965
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.21791	0.2
52.70786	0.2
53.03963	0.3
55.01868	0.5
55.05501	0.7
56.96558	0.3
57.03423	0.3
57.07077	3.4
59.04990	0.4
65.03941	1.5
67.05513	1.8
69.03420	1.3
69.07064	0.7
70.04556	0.4
70.04933	0.4
70.06576	0.3
73.02909	0.3
75.70060	0.2
79.05494	1.3
81.03438	0.5
81.07060	2.3
82.86497	0.3
83.04978	0.8
83.08622	1.0
84.08086	0.2
85.02904	2.7
85.06498	0.6
87.27963	0.2
91.05467	1.2
93.03408	0.6
93.07041	2.1
95.04975	1.6
95.08620	2.0
97.02892	0.8
97.06517	1.0
98.97540	0.3
99.04467	0.5
105.03407	0.5
105.07020	1.3
107.04963	0.4
107.08591	3.0
109.02847	0.3
109.06515	1.9
109.10146	1.2
111.04442	0.7
111.08064	0.7
113.06000	0.3
115.74523	0.2
117.07021	0.9
119.08572	1.4
121.02866	5.7
121.03983	1.4
121.06471	1.1
121.10148	1.9
123.04456	0.5
123.08092	1.8
123.11697	0.4
125.05998	0.9
125.09642	0.8
131.08575	0.7
133.10138	0.5
135.08051	0.9
135.11682	1.1
137.05977	0.9
137.09595	1.1
139.07539	0.8
139.11171	1.1
145.06500	0.8
145.10083	1.2
147.08089	0.7
149.02350	100.0
149.09599	0.6
149.13271	0.5
150.02676	0.6
151.07526	0.5
151.11137	0.2
153.12712	0.3
159.11688	1.0
161.09610	0.3
163.07555	0.4
163.11195	4.3
165.09131	0.9
167.03403	1.0
167.07043	4.4
167.10663	0.3
177.12688	1.0
178.13071	1.1
180.09389	0.3
181.10670	0.2
181.12172	1.2
187.11180	0.5
190.02664	0.3
190.04970	0.6
205.08492	0.3
205.12271	1.7
205.15912	0.5
223.06049	0.9
223.11188	1.0
223.13316	3.3
223.16829	1.3
223.18826	0.4
225.04301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34021	0.4
53.03935	0.5
53.62351	0.3
55.01869	0.6
55.05516	2.7
56.96559	0.8
57.07056	1.4
62.06335	0.4
67.05502	3.8
69.03432	4.0
69.07075	2.1
71.04984	1.0
71.51831	0.5
71.52216	0.7
79.05493	3.3
81.07064	6.4
83.04994	2.4
83.08630	1.0
85.02895	1.2
85.06501	0.6
91.05479	3.9
93.07050	3.8
95.04961	1.6
95.08618	3.9
97.02859	0.5
97.06528	1.1
98.97601	0.6
99.04471	0.5
105.07027	4.9
107.04975	1.0
107.08607	3.6
109.02866	0.5
109.06525	2.8
109.10162	2.9
111.04439	0.7
111.08082	1.5
115.05439	1.4
116.06285	0.8
116.98581	0.8
117.07029	5.5
119.04967	0.6
119.08591	6.4
121.06522	1.6
121.10139	3.7
123.04446	0.6
123.08067	3.5
123.11684	0.6
125.09647	0.6
128.06235	1.0
129.07008	0.8
131.08589	0.9
133.06511	1.2
133.10135	4.1
134.07260	0.8
135.08052	1.5
135.11700	1.4
136.08784	0.4
137.05983	3.9
137.09648	2.4
143.08620	2.1
145.06470	1.0
145.10133	1.2
147.08073	2.0
147.11702	2.8
149.02339	2.5
149.09627	0.9
149.13266	0.6
151.07529	1.5
151.11153	0.5
154.63531	0.4
157.10182	1.1
158.05978	0.8
159.11694	1.2
160.05240	0.4
160.08835	0.8
161.06020	4.2
161.09627	3.3
161.13284	3.1
162.06763	4.3
163.07626	0.5
163.11169	1.9
165.09135	1.0
171.08087	0.9
175.07498	3.0
175.08833	0.5
175.11249	1.4
175.14809	2.3
177.09119	100.0
179.10695	1.1
179.14381	0.6
185.09515	0.5
185.13237	0.6
189.09097	0.5
193.08508	0.5
193.12262	0.6
193.15898	1.4
203.07008	0.8
203.10692	2.1
203.14285	2.3
203.17935	1.0
206.05705	0.4
221.04413	0.7
221.08080	1.5
221.11761	4.7
221.15355	11.6
221.18854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.02361	0.3
53.20729	0.3
55.01867	0.6
55.05510	3.5
57.07077	0.3
59.04996	0.4
62.58549	0.2
67.05521	1.8
69.03423	0.5
69.07071	7.1
71.04995	0.3
79.05473	0.9
81.03477	0.3
81.07051	2.9
83.04971	0.4
83.08624	2.5
85.02381	0.3
85.02908	5.5
85.06532	0.4
87.64623	0.3
91.05485	2.2
93.07044	2.8
94.25666	0.3
95.04965	1.0
95.06376	0.2
95.08609	4.6
97.06536	0.4
99.04447	0.4
105.07037	5.3
107.08598	2.8
109.06530	4.7
109.10156	2.3
109.60949	0.2
111.08073	0.8
117.07021	0.9
119.08588	10.0
121.06517	1.2
121.10161	3.9
123.08073	6.8
123.08957	0.4
123.11689	1.5
125.06000	0.9
125.09612	0.4
129.06973	0.3
130.07835	0.4
131.08595	0.9
133.06494	0.6
133.10135	18.7
135.08049	0.5
135.11700	2.3
137.05945	0.5
137.09601	1.6
137.13252	1.2
139.07565	0.8
143.08582	0.8
144.76543	0.3
145.10135	3.7
146.10930	0.8
147.08023	0.8
147.11688	1.0
149.09596	0.5
151.07555	17.0
152.08337	0.5
153.09142	0.3
157.10114	0.7
159.11739	1.9
160.12486	0.3
161.09599	0.8
161.13264	32.8
162.13541	0.4
163.11183	2.2
165.09135	3.6
170.10956	0.5
175.14862	1.8
177.12770	0.9
179.14307	4.0
185.13242	2.0
193.15839	0.8
203.14331	2.5
206.10959	0.3
221.15373	100.0
222.15652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
54.37174	0.6
70.31911	1.3
70.32309	0.9
74.02451	0.6
79.67670	0.7
82.02928	2.0
87.10457	0.5
94.06572	3.8
103.05467	0.6
115.05455	0.7
130.06534	76.1
132.04462	41.8
132.05251	0.4
133.10094	0.6
134.06047	1.0
140.04868	0.6
142.06596	0.7
144.86119	0.7
148.07559	2.3
156.54187	0.6
157.07623	54.8
158.06020	79.3
159.09140	0.9
175.08681	100.0
176.07098	2.1
176.09019	1.1
185.07115	1.5
186.05515	3.1
203.08167	37.8
204.06540	4.8
221.09239	19.9
221.11426	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
59.68109	0.4
62.54283	0.4
66.03457	0.4
74.02450	0.4
74.02998	0.4
79.14140	0.4
82.02946	2.1
82.45322	0.4
94.06570	4.2
95.01344	1.0
103.05494	0.8
104.04976	0.6
107.05099	0.5
115.03889	0.5
115.05470	0.8
116.81631	0.4
118.11617	0.5
120.08144	0.8
130.06534	67.7
132.04457	36.2
134.06047	0.9
147.09200	1.0
148.07571	3.4
156.06773	0.9
157.07625	26.0
158.06023	84.4
159.06259	0.4
175.08676	100.0
176.07100	2.0
176.09019	0.8
185.07188	0.8
186.05527	2.9
203.08186	4.6
204.06541	4.3
221.09224	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	221.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.3
57.07079	1.1
60.52757	1.1
63.82737	1.2
70.06577	4.5
71.50706	0.9
72.08167	5.3
74.76376	1.0
82.01469	6.6
82.99858	2.8
84.04471	1.5
84.08138	3.4
98.97639	1.3
100.02494	13.6
101.00886	27.7
102.05595	1.4
103.81080	1.1
107.08602	1.2
110.07182	6.1
110.07861	1.4
113.07137	1.3
113.19492	1.0
118.00451	1.1
118.03521	5.5
119.01932	100.0
119.08568	1.6
121.01670	2.2
136.04573	1.2
137.02968	21.1
138.93826	11.3
139.00938	6.7
139.50995	1.7
142.03493	3.0
143.01906	2.0
148.01468	6.7
148.51558	1.3
150.51700	7.3
156.96420	1.2
156.97569	1.2
157.11768	1.3
159.52243	3.3
160.12338	1.3
161.02977	39.2
169.19835	1.2
170.47545	1.2
175.02753	3.5
179.00726	2.6
179.04016	56.8
179.40259	1.1
179.98122	9.3
185.11165	2.2
186.09508	4.1
186.50964	3.3
195.51474	4.9
196.01649	1.7
197.99229	14.3
198.02408	1.3
198.04289	2.7
198.06187	3.4
202.05664	2.0
203.04068	1.8
216.07332	1.1
221.01682	13.8
221.05075	3.3
221.06885	2.1
221.15172	2.7
225.76367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01885	0.6
57.82978	0.4
59.66140	0.4
69.54282	0.4
69.60909	2.2
69.61304	0.7
72.04538	0.5
82.02951	1.8
90.05548	2.6
91.05897	1.3
91.07847	0.4
93.07038	0.5
94.06561	3.7
109.10201	0.6
110.81947	0.4
115.03948	1.1
115.05442	0.8
119.08564	0.6
125.02404	0.5
130.06537	44.2
132.04457	32.1
147.09152	0.7
157.07632	20.1
158.04672	1.3
158.06021	67.5
175.08681	100.0
176.07063	2.2
185.10043	0.6
186.05472	1.4
192.15036	0.4
203.08185	1.7
203.11066	1.0
204.06612	3.3
221.09224	35.6
221.11900	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	220.1181
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01870	1.5
55.05514	15.5
55.93527	10.9
56.05026	3.9
57.07059	3.1
58.06589	1.5
59.04992	2.1
60.04533	6.6
67.05487	2.9
68.05022	3.8
69.07072	2.0
70.02946	2.4
70.06578	2.1
71.04990	4.7
71.06432	2.0
71.07392	1.0
71.92993	6.8
72.04520	5.6
72.08157	17.5
72.93800	9.8
73.06556	11.4
73.94551	1.6
74.02457	1.1
74.06065	1.0
79.05495	1.1
80.05032	5.3
82.06580	4.0
83.04980	6.1
83.65799	1.1
84.04507	63.7
85.02917	9.5
85.06538	4.3
86.06078	1.0
86.09667	0.9
88.03979	2.0
89.94048	4.6
90.05560	31.5
90.09183	0.9
90.60024	1.0
90.94825	6.5
93.03389	2.3
94.06541	2.3
95.04944	2.4
95.08640	0.9
96.04498	1.7
96.08125	2.9
97.06533	1.7
98.02424	5.9
98.06052	0.9
98.98331	0.9
100.03971	1.8
100.07639	4.7
101.06002	1.2
102.05547	13.0
102.94808	2.8
103.07586	2.4
105.93513	1.4
107.95084	4.0
108.95869	1.3
109.02847	1.2
110.06084	4.9
110.06699	1.1
110.09683	26.7
111.94136	0.9
113.06004	2.2
114.05486	5.0
114.09182	1.6
115.07570	6.5
115.95643	0.9
116.03471	3.8
116.10770	1.2
120.05807	1.3
122.06018	4.3
123.94530	0.9
124.07587	7.2
125.96146	2.9
128.07053	1.0
128.10724	1.2
130.05008	13.9
130.06537	2.3
131.03465	0.9
131.95068	3.3
134.06012	0.9
136.06120	1.3
138.05568	1.6
138.09148	14.0
140.07094	1.1
142.05008	3.0
142.08633	10.9
143.07037	2.9
143.95015	2.9
146.08130	4.0
148.06061	5.5
149.96082	5.3
152.07086	1.6
154.08690	1.3
156.06535	2.6
156.10204	32.7
158.06021	1.5
160.06010	1.1
160.09709	11.7
160.95337	1.4
161.96130	4.0
163.37888	1.0
166.08684	1.4
170.08139	2.9
173.96106	1.6
174.07649	3.4
174.09807	2.1
174.11273	35.2
175.08690	1.1
177.95633	1.3
178.07248	1.1
184.09697	29.1
188.09232	6.8
188.12949	1.3
190.09277	1.1
191.97159	19.9
192.06584	3.0
201.95581	2.2
202.05309	1.1
202.07188	1.6
202.10754	29.2
204.14584	2.2
205.15900	3.6
219.96646	4.9
220.06100	2.8
220.08199	2.6
220.11818	100.0
220.15352	2.9
220.17708	10.1
221.12090	1.0
237.98996	0.9
242.98230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.31182	0.7
55.01867	1.5
55.05503	0.7
57.07078	5.5
59.05007	4.1
67.05509	4.9
69.07072	5.7
70.02966	6.2
70.94949	0.8
70.95304	1.6
72.04523	15.8
73.02924	3.0
85.06553	10.5
86.09710	1.6
87.08119	2.2
90.05560	100.0
92.55568	0.7
95.04979	5.8
96.08151	2.9
98.02422	18.5
100.03996	2.9
102.65303	0.7
103.07594	7.7
108.98766	0.7
113.05994	2.9
113.59994	0.7
116.03458	12.2
116.04195	1.3
124.07592	17.1
142.08620	7.0
156.10226	1.0
160.09650	1.8
166.08704	2.6
174.11290	3.5
178.68118	0.8
184.08475	0.4
184.09705	19.4
202.10762	31.9
220.11818	45.3
220.45172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05503	0.9
55.49297	0.7
57.07090	6.0
57.31477	0.8
59.05009	4.7
61.92594	0.7
67.05504	5.1
69.07085	4.9
70.02961	7.6
71.37098	1.5
72.04523	15.5
72.04901	1.5
73.02917	3.4
74.02451	1.6
74.74715	0.7
75.68306	0.7
80.28527	0.7
82.89792	0.8
83.04962	1.1
85.06553	10.4
86.09711	2.0
87.08117	2.4
90.05564	100.0
95.04985	6.7
96.08124	2.4
98.02430	18.3
100.03957	1.2
103.07586	8.1
111.04596	0.7
113.06018	2.8
116.03468	13.8
124.07610	17.7
131.07051	0.8
142.08667	6.5
156.10239	1.4
160.09804	1.5
166.08672	2.4
174.11253	2.8
175.08749	0.9
184.09712	21.5
202.10777	33.3
220.11832	43.8
220.17780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.2
55.05270	1.5
55.05512	18.5
56.05032	14.0
57.07053	1.2
60.04531	23.6
63.01203	1.0
64.00510	1.0
65.03940	5.8
67.05495	3.2
68.60104	1.0
70.71253	3.5
71.04998	28.8
72.04487	5.0
73.06560	11.0
75.86504	1.3
79.05481	3.6
79.62563	1.0
82.06592	7.1
83.04984	32.9
84.04471	2.7
85.06542	1.7
87.08116	6.5
90.05554	8.4
93.03410	20.2
97.06522	5.3
98.06034	2.1
100.06992	1.8
100.07618	28.5
101.06018	5.8
109.02865	1.0
110.06062	6.3
115.07571	60.4
119.45828	1.4
125.06005	6.0
129.05487	1.5
142.08638	56.4
143.07045	18.8
146.08133	35.0
149.35020	1.1
160.09705	100.0
175.08685	1.1
178.10759	1.5
184.09735	5.7
188.09184	34.4
202.10765	29.5
204.14671	2.2
205.15883	3.2
215.43427	1.2
220.02321	1.7
220.11775	6.1
220.17888	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	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
55.05516	14.1
55.93278	1.5
55.93529	23.4
56.05028	5.6
57.07061	3.7
59.04985	4.5
60.04531	8.1
67.05486	3.8
68.05023	2.3
69.07049	3.9
70.02948	3.2
70.06580	2.4
70.31503	4.3
71.04977	4.2
71.84657	1.1
71.92699	1.1
71.93011	11.2
72.04511	9.2
72.08163	14.7
72.93790	18.5
73.02919	1.9
73.06562	9.4
73.08492	2.2
73.94572	1.6
74.02422	1.3
74.95323	1.2
80.05017	3.4
82.06568	4.3
83.04976	7.6
84.04507	61.3
85.02895	8.6
85.06528	5.3
87.08125	1.2
88.03988	2.3
89.94055	6.9
90.05556	45.3
90.94826	15.0
93.03387	3.4
94.06576	1.7
95.04952	2.3
95.08593	1.2
96.08117	3.6
98.02425	6.5
98.06078	1.9
99.04504	1.5
100.07624	3.3
101.06010	2.1
102.05551	11.8
102.94796	3.9
103.07578	2.7
105.93514	3.2
107.95084	6.6
108.95856	2.5
109.02911	1.6
110.06036	3.5
110.09684	27.4
111.04472	1.5
114.05525	5.5
115.07570	9.3
116.03467	5.9
118.94257	3.0
120.95844	1.8
122.06004	4.4
124.07594	10.2
125.96130	4.5
128.07071	1.5
130.05006	19.5
130.06525	1.9
131.95061	7.3
133.96581	1.8
134.05954	1.7
136.06184	1.5
136.95345	2.2
138.05519	1.6
138.09161	15.3
142.05003	2.4
142.08661	11.0
143.07021	3.3
143.95082	3.1
146.08122	5.1
148.06033	5.2
149.96109	10.0
152.07109	2.1
154.08611	1.3
156.06522	1.9
156.10210	27.8
160.09703	14.3
160.95314	1.4
161.96103	6.9
166.08681	1.6
170.08121	3.6
173.96120	1.8
174.05936	1.2
174.07642	3.3
174.11267	35.3
174.12767	2.1
177.95639	2.0
184.09703	29.2
184.84645	1.2
188.09122	7.4
191.97150	33.8
192.06577	3.1
201.95650	1.8
202.07092	1.4
202.10777	33.6
204.14734	3.5
205.15852	5.0
219.96671	5.6
220.06041	2.9
220.11807	100.0
220.17764	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	219.1744
Annotation	Solavetivone
Peak:m/z	Relative Intensity
50.45269	0.9
53.03942	1.9
55.05506	5.6
57.03436	1.5
57.07076	1.2
58.72794	0.9
59.05004	2.2
67.05514	6.6
69.07073	29.2
69.28025	8.2
71.04993	5.2
79.05480	3.8
80.23460	0.9
81.07056	14.3
83.04967	1.5
83.08617	3.9
84.13695	0.8
85.06529	2.4
91.05492	5.2
93.07051	10.0
95.04940	3.0
95.08613	25.7
97.06528	2.4
97.10155	2.3
105.07034	17.6
107.08605	19.6
107.63448	0.9
107.88702	0.9
108.44687	0.9
109.06544	4.6
109.10155	23.6
111.08105	2.5
117.07024	3.1
119.07812	1.8
119.08588	16.3
121.06508	2.0
121.10143	19.5
123.08064	4.3
123.11705	7.3
125.09629	2.5
130.07817	2.2
131.08601	7.0
133.10138	9.7
135.08044	4.0
135.11690	15.3
137.09622	11.1
137.13251	2.7
145.10127	21.1
147.11720	4.4
149.09619	8.6
149.13226	4.9
151.11179	3.2
159.11702	11.7
161.13269	11.8
163.11179	17.0
163.14772	0.9
167.72139	0.9
173.13263	3.2
175.14850	7.2
177.12737	3.5
177.16400	1.9
191.17946	9.4
201.16393	17.7
219.17445	100.0
220.17612	1.1
226.10237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	Ile-Ser
Peak:m/z	Relative Intensity
52.34323	0.4
52.85935	0.5
53.67371	0.5
54.03545	0.3
55.01875	0.5
55.05515	1.2
56.05035	2.2
58.06615	0.9
60.04522	1.0
60.83578	0.4
65.65115	0.4
66.27743	0.4
69.03442	0.4
69.07079	3.8
69.49112	2.9
70.06599	1.1
72.08156	6.9
73.06543	0.5
74.06085	9.0
75.04491	0.6
83.04966	0.5
84.04514	4.4
84.08140	0.8
85.02918	2.0
86.09711	100.0
88.03989	0.9
90.09201	0.4
98.97577	0.5
102.05551	1.0
106.05046	1.6
110.09690	1.1
111.04499	0.5
116.07090	1.8
118.08648	1.6
119.01894	0.4
121.10097	0.6
123.00845	0.6
127.03970	0.6
130.05005	4.2
138.09192	0.6
141.01886	0.4
144.10210	0.9
155.92480	0.4
156.10257	1.1
157.07616	0.4
159.03036	0.5
162.07692	0.6
170.04587	0.6
173.12871	2.3
174.11264	0.7
183.02991	0.6
184.09711	2.1
201.12271	2.0
202.10765	0.6
203.14328	2.4
219.07614	0.7
219.10452	0.7
219.11041	0.7
219.13377	7.7
219.17416	8.1
220.11876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.22278	0.6
55.05502	0.8
55.20004	0.7
57.03429	0.9
67.05510	1.1
69.86920	2.4
79.05489	1.3
81.07041	0.8
83.04963	0.8
83.64809	0.6
91.05491	7.3
92.02534	0.6
93.07089	0.7
98.97581	2.0
103.05457	2.2
105.07031	2.5
109.10156	0.9
111.04411	0.8
115.05444	5.8
116.06252	2.2
117.07014	2.4
119.08576	1.2
121.06525	0.8
121.10106	1.0
128.06201	6.9
129.06035	1.6
129.07007	29.3
130.07791	2.2
131.04945	5.1
131.07596	1.4
131.08571	29.4
133.10132	1.6
135.08066	1.0
137.05943	3.1
141.07004	26.4
142.39865	0.6
143.04910	1.3
143.08551	1.7
144.05705	4.6
145.06493	5.0
145.10170	1.2
146.06125	1.4
146.07259	2.4
147.04401	1.7
147.08076	0.7
157.06494	16.7
157.07738	1.4
158.05988	1.0
158.07275	15.1
159.04385	2.5
159.08066	20.8
159.09412	1.0
159.11725	1.3
160.05234	3.5
161.09619	3.1
161.10980	0.6
163.07576	1.8
168.05754	1.2
169.06479	10.5
169.07698	0.7
170.07315	5.6
171.04427	1.2
171.08012	0.8
173.05971	3.5
174.06781	55.9
175.07535	8.5
176.08426	0.7
185.06007	0.7
186.06770	14.9
187.07558	1.1
188.08337	2.2
189.09114	70.7
190.09608	0.8
191.07036	0.9
191.10641	6.8
201.09103	29.1
203.14311	3.2
204.73920	0.7
219.10167	100.0
219.17416	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	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05511	0.8
57.03439	0.9
67.05475	0.7
69.07066	0.7
69.85948	2.4
86.09709	0.7
91.05499	7.2
99.34963	0.6
103.05486	1.2
105.07085	1.4
107.08605	1.2
108.08927	0.6
108.75084	0.8
111.04459	0.7
115.05447	6.3
116.06240	1.6
117.07021	2.6
119.08588	0.9
121.10176	1.4
128.06238	6.4
129.07021	29.0
130.06526	0.8
130.07780	1.7
131.04936	5.6
131.08580	27.9
133.10162	1.0
135.08063	1.2
137.05977	3.4
141.07004	24.7
143.05020	1.4
143.08563	1.6
144.05678	4.2
145.06497	5.5
145.10194	0.8
146.07283	4.2
147.08080	0.6
151.07611	0.7
155.06021	1.1
156.05673	0.8
157.06506	16.2
157.07613	1.1
158.03673	0.7
158.07291	17.4
159.04420	2.4
159.08080	21.4
159.11700	0.8
160.05246	3.6
160.06371	0.6
161.09622	3.1
163.07529	2.3
168.05730	0.7
169.06480	13.4
169.07712	1.0
170.07275	5.9
171.04453	1.1
172.05234	0.6
173.06001	5.1
173.09676	1.1
174.06787	56.2
175.07504	8.0
186.06792	13.9
187.07552	1.1
188.08385	3.2
189.09129	75.2
191.07059	0.8
191.10703	6.1
201.05499	1.8
201.09129	31.1
203.14389	2.0
219.10179	100.0
219.17419	10.6
220.10481	0.8
227.93088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.37308	0.6
55.49573	0.5
57.03436	1.1
61.99598	0.7
67.05506	0.9
71.37660	0.8
86.27362	0.6
88.17677	0.5
89.74530	0.7
91.05490	6.4
93.07085	0.6
93.58971	0.6
95.56773	0.6
98.21468	0.5
103.05445	1.8
105.07048	1.2
111.04320	0.7
115.05442	5.9
116.06229	1.7
117.06993	1.6
128.06221	6.8
129.07014	28.0
130.07761	1.2
131.04947	4.3
131.08574	27.3
133.10124	1.7
137.05969	2.1
138.44243	0.6
141.06999	24.5
143.04913	1.7
143.08540	1.3
144.05745	3.1
145.06480	4.6
146.07272	4.3
147.04372	1.0
148.05229	0.8
155.06053	1.2
157.06499	16.9
158.07292	13.6
159.04431	2.3
159.08069	20.7
160.05197	4.5
161.06023	1.0
161.09694	2.9
161.21211	0.7
163.07567	1.9
168.05653	0.9
169.06480	11.3
169.07629	0.8
170.07272	5.8
171.04474	0.6
171.08032	1.3
173.06018	2.9
174.06776	55.1
175.07541	9.3
183.08051	0.6
186.06778	14.8
187.07588	1.0
188.08356	2.9
189.09117	73.8
191.10654	5.1
201.09114	31.0
201.11005	1.3
203.14371	1.4
219.10165	100.0
219.17336	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03442	1.0
65.81450	0.5
66.92162	0.5
67.05508	1.0
70.95896	0.9
71.01368	0.5
75.43763	0.5
81.07103	0.7
91.05484	7.2
98.97596	1.3
100.71353	0.5
103.05456	2.4
105.07040	2.1
107.04999	0.6
115.05455	6.6
116.06255	2.1
117.07006	2.5
119.08569	1.0
121.10183	0.9
123.15755	0.5
128.06219	7.0
129.07008	30.9
130.07773	2.3
131.04932	4.9
131.08568	28.1
133.10144	2.1
137.06017	3.1
141.06993	24.9
143.04956	1.0
143.08583	1.6
144.05737	3.6
144.09433	0.5
145.06483	4.7
145.10098	1.1
146.06219	0.6
146.07315	3.5
147.08058	0.7
151.07559	0.7
155.06020	0.9
155.08583	0.8
157.06497	14.9
157.07765	0.9
158.07283	16.4
159.04427	2.5
159.08060	19.5
159.11763	0.7
160.05215	4.2
161.05992	1.3
161.09615	3.2
161.13295	0.7
162.06697	0.6
163.07565	1.3
168.05707	0.6
169.06458	10.0
169.07635	1.0
170.07231	5.0
171.04417	0.7
171.08080	1.2
173.05988	4.7
173.09630	1.2
174.06775	56.3
175.07539	8.8
176.08328	0.6
185.05957	0.7
186.05125	0.9
186.06781	13.6
187.07555	1.4
188.08331	1.9
189.09114	73.7
190.09518	0.6
191.07088	0.7
191.10674	6.4
201.05447	1.0
201.09111	28.4
203.14284	2.3
219.10164	100.0
219.17418	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	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.44637	0.6
55.05499	1.8
55.41516	0.7
55.76675	0.7
57.03429	1.1
67.05499	1.4
67.33274	0.6
68.09151	0.6
69.07066	4.7
70.06710	0.7
70.68700	1.3
70.69030	1.3
71.04997	0.6
79.05457	1.1
81.07041	1.3
81.99183	0.7
82.51102	0.6
83.04967	0.9
88.77493	0.6
89.09932	0.6
91.05477	8.7
93.07049	1.3
95.08650	1.5
98.97590	1.6
103.05462	2.3
105.07020	3.7
107.08579	1.8
115.05460	6.8
116.06242	2.0
117.07005	4.1
119.08552	2.4
120.08103	1.4
121.06453	0.8
121.10105	1.4
128.06227	5.5
129.07007	27.4
130.07771	2.1
131.04926	5.6
131.08571	28.4
132.05688	0.8
133.10098	2.6
135.08057	0.9
137.05954	2.7
141.06990	25.1
143.04924	1.8
143.08540	1.0
144.05719	4.6
145.06497	5.7
145.10101	1.6
146.06091	1.4
146.07263	4.0
147.04367	1.1
149.09512	0.8
155.06065	0.8
155.08578	0.8
156.05679	1.0
157.06482	15.3
157.07732	0.8
158.07274	14.5
159.02077	1.7
159.04436	2.3
159.08058	18.9
159.11678	1.9
160.05206	4.0
161.05948	1.4
161.09621	4.1
163.07526	2.1
167.24487	0.6
168.05713	0.9
169.06467	12.4
169.07703	0.8
170.07309	4.7
171.08046	0.8
173.05975	2.6
173.09717	0.8
173.13257	1.2
174.06773	52.4
175.07509	8.3
175.08815	0.9
176.04759	0.7
183.02962	0.7
183.08047	0.8
184.86700	0.9
185.05986	1.1
186.06770	13.9
187.07437	1.1
188.08315	3.3
189.09113	70.4
190.07689	0.9
191.07028	1.0
191.08557	3.5
191.10646	6.0
201.09106	31.9
201.16418	1.2
203.14297	5.0
219.05914	3.9
219.10156	100.0
219.13728	3.9
219.17430	19.8
220.10484	1.2
227.10918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1019
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.81638	0.8
53.45295	0.7
55.05507	1.4
57.03435	1.4
57.07061	1.3
66.82090	0.9
67.05499	3.0
67.44596	0.7
69.07038	1.0
70.06585	2.0
72.47130	0.6
79.05491	2.2
81.07046	2.6
88.07651	3.5
89.07940	1.3
91.05487	9.4
93.07040	2.6
95.08595	1.7
98.21526	1.8
103.05458	3.1
105.07037	6.0
106.08679	1.1
107.08582	1.1
115.05476	6.9
116.06229	2.4
117.07056	3.4
119.08558	2.7
121.06464	0.9
121.10165	1.5
123.08025	0.9
124.52722	0.7
128.06235	7.8
129.07018	31.1
130.07764	1.3
131.04947	5.0
131.08582	31.6
133.06526	0.8
133.10152	4.1
135.11661	0.9
137.06013	2.8
141.07007	26.8
143.04898	1.3
143.08571	2.4
144.05704	3.3
145.06528	5.2
145.10139	2.6
146.07324	3.8
147.11646	1.3
148.05241	1.0
149.13295	0.9
151.07602	0.9
155.06029	0.9
155.08495	1.2
156.05717	1.2
157.06525	14.8
157.07758	1.2
158.07288	13.0
159.04434	2.5
159.08069	20.3
159.11667	2.2
160.05225	5.1
161.05898	0.8
161.09654	4.1
161.13458	0.9
162.06776	0.9
163.07442	1.9
168.05713	1.1
169.06468	12.7
169.07639	0.8
170.07295	7.2
171.08049	0.9
173.06047	3.8
173.13316	2.7
174.06787	60.4
175.07555	8.6
177.12865	1.1
183.11726	1.3
186.06789	14.7
187.07663	1.3
188.08331	2.6
189.09128	77.1
189.69171	0.7
191.06973	1.1
191.10701	5.5
201.09128	31.0
201.12827	2.2
201.16490	1.3
201.20477	2.5
203.14360	4.6
212.96548	0.8
219.10184	100.0
219.13782	4.0
219.17448	19.1
219.21498	30.0
220.10454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53573	4.8
55.05518	8.5
58.95923	5.5
63.33174	4.7
69.07104	4.8
69.95654	24.2
72.08150	40.4
74.53139	5.0
78.01205	5.4
84.04520	25.9
90.05555	13.2
105.07004	5.4
108.46085	4.6
121.10137	11.0
128.04860	5.0
129.04640	4.8
130.04932	9.9
131.03333	4.7
135.44052	5.1
156.06560	11.5
157.07518	9.6
183.23026	6.3
203.14282	25.3
219.02637	33.6
219.07603	7.0
219.09908	7.7
219.13737	7.8
219.17451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.81649	0.4
57.03420	0.9
57.52020	0.5
64.29897	0.5
70.75833	0.6
70.76138	1.0
91.05483	7.5
103.05464	2.3
105.07047	0.8
115.05449	6.1
116.06213	2.4
117.07024	2.5
119.08627	1.0
127.05416	0.8
128.06218	5.5
129.07007	31.1
130.07793	2.1
131.04922	4.9
131.08563	28.5
133.06374	0.5
133.10118	1.1
137.06018	3.4
141.06989	26.6
142.07625	0.6
143.04912	1.9
143.08578	1.7
144.05701	3.7
145.06474	5.7
146.07265	3.6
147.04326	0.8
148.05173	1.0
151.07541	0.8
153.06827	0.6
155.06006	1.1
156.05707	0.6
157.06488	16.4
158.07281	15.7
158.08264	0.3
159.04449	2.3
159.08055	19.5
160.05200	4.6
161.05914	0.9
161.09633	2.0
163.07556	1.7
168.05711	0.8
169.06465	12.1
169.07635	1.0
170.07269	6.0
171.08014	0.8
173.06001	3.2
173.09698	1.0
174.06770	59.4
175.07529	9.5
185.06030	0.9
186.06766	14.4
187.07559	1.3
188.08328	2.8
189.09105	78.1
190.09796	0.5
191.07100	0.8
191.10681	6.8
201.09105	31.6
203.14268	1.1
219.10164	100.0
219.17358	3.8
220.10454	0.9
223.39606	0.4
226.59657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44958	0.2
53.94011	0.3
55.01878	0.3
55.05513	2.6
56.05848	1.8
57.03439	2.7
58.06594	0.5
59.05009	0.3
60.04530	0.4
60.08167	9.9
67.05500	0.7
68.05822	0.3
69.03441	0.5
69.07054	0.6
70.06597	1.2
71.05009	0.4
71.30769	0.2
72.08154	1.0
72.93793	0.2
73.02903	0.6
74.06068	0.4
77.54298	0.2
80.05032	0.2
81.03383	0.3
81.07048	0.4
83.04991	3.6
84.04520	0.6
84.05318	3.4
84.08132	1.6
85.02908	100.0
85.08508	0.2
86.03217	0.3
86.06081	0.6
86.06870	0.3
86.09715	0.5
87.04474	0.7
88.02211	0.3
88.03987	0.6
88.07637	0.3
89.02360	0.4
89.06039	0.8
90.06375	0.8
93.07066	0.2
94.06567	0.5
95.04992	0.5
96.04525	0.4
97.02920	0.5
97.06506	0.3
98.09693	0.3
98.27903	0.2
99.04445	1.2
101.06020	1.8
102.06359	1.8
104.10736	1.5
110.06058	0.4
111.04453	4.8
112.04778	6.3
112.07623	0.7
113.06037	0.6
114.06332	0.4
117.95994	0.4
118.08649	0.4
119.01910	0.3
120.02043	0.3
122.06075	0.6
124.07548	0.3
126.05549	0.5
126.09135	0.4
127.07599	0.4
128.07912	0.8
129.05482	0.9
129.07890	0.3
130.04974	0.4
130.05779	1.4
130.08675	0.6
138.05515	0.3
140.07066	1.3
144.10197	2.3
146.03613	0.3
146.06026	0.7
149.37762	0.3
154.08626	0.6
154.09778	0.4
155.07037	2.4
156.07381	9.0
158.08179	0.5
158.11841	0.4
159.06534	11.3
168.06537	0.3
172.09682	0.4
172.13367	1.1
173.08150	2.4
174.05522	0.9
174.08444	8.3
182.08113	0.5
189.97707	0.6
200.09309	1.0
200.12796	1.2
218.04555	0.5
218.11133	8.8
218.13943	32.3
218.17546	1.4
218.21045	0.5
219.17540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17379	14.5
52.00983	11.9
56.76038	13.7
61.86969	12.6
61.89966	12.5
67.11375	11.8
70.69250	15.7
70.69590	29.5
74.80699	12.6
88.71622	12.7
98.34563	11.6
120.13734	12.3
219.02635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03944	2.4
55.01871	2.6
55.05515	39.1
57.03429	1.6
57.07061	1.5
59.04995	2.5
59.15311	1.2
67.05506	13.2
69.03419	6.1
69.07066	6.6
71.04979	3.7
73.02924	3.9
79.05502	10.3
81.07059	13.1
83.04983	55.5
83.08605	6.2
85.06538	4.0
87.04459	4.7
89.02387	5.6
89.06035	15.7
91.05494	15.8
93.06494	1.9
93.07047	28.2
95.04378	2.5
95.04971	46.1
95.08611	21.4
97.06538	7.9
99.04453	4.4
101.06021	23.7
105.07040	44.3
107.04932	1.3
107.08606	23.5
109.03088	1.2
109.06522	13.8
109.10162	15.6
111.04446	98.7
111.08065	3.9
112.04812	1.3
113.06041	9.0
115.05441	1.7
117.07020	5.0
119.08587	31.6
121.06490	4.3
121.10155	58.3
123.08078	13.5
127.07570	11.2
128.06223	3.6
129.05504	12.0
129.06969	5.9
130.07683	1.3
131.08571	11.9
132.85255	1.1
133.06535	2.8
133.10143	22.9
135.08064	5.4
135.11703	3.5
137.05974	2.2
137.09610	3.8
139.01598	2.0
141.06927	1.9
142.07787	8.4
143.08565	14.3
144.09335	1.8
145.10110	7.6
147.08084	8.9
147.11696	7.7
149.09625	1.6
153.65755	1.2
155.07045	100.0
156.09294	4.9
157.10135	22.2
159.08130	2.4
159.11719	12.0
161.09625	15.8
161.13214	2.0
170.10887	2.0
171.11684	8.5
173.08110	86.6
173.13226	8.2
174.10321	1.6
175.11159	9.6
175.14848	3.0
184.12491	3.2
187.14809	4.3
189.12746	1.6
189.16420	7.6
199.09665	7.8
199.11298	2.6
199.14827	35.2
202.02615	2.2
217.04950	6.4
217.08998	1.9
217.10686	75.9
217.15872	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
51.02376	0.4
53.03931	1.1
55.01864	0.9
55.05513	9.5
57.03424	0.4
57.07066	1.0
59.04985	1.0
61.09568	0.4
62.01614	0.4
65.03944	0.5
67.05192	0.5
67.05513	6.0
69.03429	2.4
69.07076	3.2
70.41045	1.4
71.04992	1.0
73.02883	0.6
79.05495	4.2
81.03438	0.5
81.07051	6.2
83.04985	14.7
83.08610	1.2
83.30054	0.4
85.06539	1.2
87.04432	1.1
87.68786	0.4
89.02383	1.1
89.06023	3.9
91.05475	5.8
93.07041	11.7
95.04971	22.9
95.08604	9.1
97.06531	3.4
99.04452	0.8
101.06010	5.8
105.07032	19.6
106.99072	0.4
107.04938	1.0
107.07887	0.5
107.08595	8.8
109.06522	4.1
109.10154	5.5
111.04448	21.5
111.08062	1.3
113.06032	2.1
115.05457	3.5
117.07024	2.3
118.04140	1.2
119.08588	12.5
121.06473	1.6
121.10146	24.4
123.08080	4.5
123.11676	0.6
125.09630	0.6
127.07559	2.8
128.06224	1.3
129.05495	4.4
129.07021	1.9
131.04922	1.5
131.08553	3.2
133.06485	1.3
133.07462	0.4
133.10129	11.0
135.08025	1.1
135.11694	2.4
137.06023	0.6
137.09592	1.4
142.07767	1.8
143.04874	0.6
143.08553	6.1
144.09293	0.7
145.06461	0.6
145.10098	3.3
146.03613	1.1
147.08061	4.1
147.11688	3.6
149.09624	0.6
155.07036	26.8
156.09329	1.5
157.10127	8.9
158.03654	0.7
159.11667	4.0
161.06024	1.9
161.09627	7.7
161.13211	1.5
169.10139	0.4
170.10872	0.5
171.11714	3.3
173.06018	2.2
173.08110	22.5
173.09436	0.8
173.13251	3.5
174.03134	12.0
174.10248	0.6
174.18539	1.2
175.11165	1.8
175.14806	1.6
184.12534	0.7
187.14787	1.0
189.05498	0.5
189.12721	0.6
189.16397	3.1
199.09544	2.2
199.11272	0.6
199.14824	12.8
202.02612	69.5
203.02885	0.4
217.04964	100.0
217.10641	18.6
217.12126	1.3
217.15880	29.5
217.19112	4.1
218.05293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83835	1.9
70.90006	3.2
70.90340	2.6
72.08156	5.2
72.93810	2.1
76.96677	1.9
80.44289	2.0
100.22088	1.9
116.07137	1.9
126.95618	2.4
132.95860	21.5
149.96162	3.0
150.96889	14.2
153.51428	1.8
191.97134	10.2
214.84050	3.7
215.01659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93980	1.5
55.93520	3.0
70.06601	4.6
70.52272	0.8
70.52628	1.2
70.94250	0.7
70.95866	5.5
71.93008	1.5
72.08157	27.4
72.93790	15.1
73.94572	1.2
73.98964	0.6
74.09737	0.8
84.04503	0.7
86.97348	0.7
88.96909	0.6
89.94057	1.5
90.94826	17.6
91.05494	0.5
95.08614	0.6
98.15675	0.5
98.98486	1.1
105.93509	0.6
106.51987	0.5
107.95121	1.1
108.95870	1.8
111.96871	1.2
113.96357	0.8
114.94824	2.0
116.07104	6.5
118.94166	0.5
119.33572	0.5
125.96119	0.5
126.95591	3.7
129.10194	0.5
129.97896	0.6
131.95079	1.8
132.95839	100.0
134.96237	0.5
139.01569	0.7
142.95302	0.5
144.96707	0.9
149.96106	16.0
150.96893	87.6
155.97491	2.5
162.96906	0.6
167.97163	6.1
168.97961	1.3
169.01147	0.5
172.97672	0.6
173.96138	4.2
173.98506	1.1
191.97163	55.0
192.97462	0.7
197.09445	0.7
209.98227	17.2
214.98677	1.4
215.01639	23.6
215.05095	1.1
215.10406	1.1
215.13936	5.7
224.61653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03944	5.3
55.01878	8.5
55.05513	47.8
56.96570	3.5
57.03435	5.2
57.07087	9.5
59.04994	5.2
63.05333	1.6
63.66489	1.7
65.03933	2.6
67.05505	22.4
69.03432	6.0
69.07073	100.0
69.25689	13.5
69.26094	2.7
70.06588	4.0
71.04999	22.6
71.08646	1.8
72.04492	1.7
73.06557	2.6
79.05507	21.8
81.03457	4.2
81.07061	70.0
83.04984	12.6
83.08620	24.3
84.08137	3.5
85.02921	4.2
85.06553	38.8
86.09679	2.6
87.08112	2.2
88.07625	7.3
91.05489	11.0
93.07055	38.4
95.04965	6.0
95.08613	99.7
97.02899	2.5
97.05959	2.4
97.06532	16.2
97.10178	26.2
98.20727	3.6
98.97574	3.1
99.04472	5.5
99.08095	27.3
105.07022	13.1
107.04954	5.2
107.08602	64.1
109.02892	2.9
109.06526	7.1
109.10165	33.1
111.04454	3.2
111.08110	10.9
111.11710	12.6
113.09655	16.0
115.05519	1.7
117.07000	3.0
119.08582	7.2
121.06502	3.3
121.10151	75.6
123.08046	4.2
123.11711	15.2
125.06004	3.7
125.09628	14.0
125.13245	2.2
127.03972	3.5
127.07584	2.4
127.11203	2.7
128.73434	2.1
128.91614	1.8
129.05553	1.9
129.06963	2.5
131.08611	2.9
133.10132	5.0
135.04257	2.1
135.08029	4.1
135.11700	37.5
137.09616	2.3
137.13264	34.4
137.72856	1.8
139.07530	2.6
139.11194	17.0
142.07750	4.1
143.08572	2.4
145.10201	1.9
149.09677	8.0
149.13261	8.5
151.03915	2.6
151.14854	5.8
153.09140	7.7
153.12761	11.6
154.06290	2.3
155.07051	5.5
157.10120	4.2
161.13318	2.6
163.07527	2.7
163.11179	2.8
167.07097	4.5
167.10728	4.2
171.08096	2.5
177.09155	6.4
177.12807	3.6
177.14815	4.0
177.16394	83.9
185.09753	5.1
185.11725	2.2
185.13373	2.7
195.06604	8.7
195.08279	1.8
195.10181	9.1
195.11845	2.7
195.13829	4.5
195.17444	19.2
213.05487	2.9
213.09177	4.7
213.11214	5.9
213.12770	7.4
213.14723	2.8
213.16411	6.3
213.18515	9.6
214.18085	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	213.185
Annotation	tridecane-3,4-dione
Peak:m/z	Relative Intensity
53.03931	0.9
55.05511	7.1
57.03423	2.8
57.07083	6.0
59.04995	1.5
67.05183	0.9
67.05512	12.5
69.03423	1.5
69.07072	9.3
70.06574	0.8
71.05002	13.8
71.08629	3.8
71.53102	0.9
78.01157	0.8
79.05496	5.7
81.07047	4.7
82.04189	0.9
83.04971	2.4
83.08614	2.7
85.02904	1.4
85.06542	1.2
85.10162	0.9
87.04475	16.2
88.07632	2.0
91.05473	1.8
93.07043	6.3
95.04945	0.8
95.08591	2.8
97.06538	25.2
97.10151	1.5
101.06026	1.1
105.07005	1.7
107.08606	2.9
111.08073	1.4
111.11719	1.0
115.07569	0.9
119.08563	1.7
121.10146	2.6
125.98026	0.6
129.09120	1.1
135.11757	0.7
142.07755	1.2
143.08646	3.1
155.08519	0.7
156.09285	0.9
157.08958	0.6
157.10121	4.1
165.07010	0.8
171.11650	1.8
183.08104	0.8
185.13284	1.0
195.06555	1.0
195.11748	1.3
198.10426	0.9
213.12984	4.2
213.16487	7.3
213.18491	100.0
214.18813	0.7
214.21771	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	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	3.2
57.07061	2.0
63.78746	0.5
64.10227	0.5
64.96149	0.4
67.05474	1.5
67.60342	0.5
69.07082	4.0
69.64404	0.6
71.42285	0.9
79.05505	2.7
81.07053	2.3
83.08618	2.5
88.07623	2.0
91.05482	4.7
93.07034	5.1
95.08627	3.2
101.02129	0.5
103.05491	0.6
105.07040	11.2
107.08599	9.2
109.06522	0.6
109.10126	0.6
113.26770	0.5
115.05412	1.1
117.06997	2.2
118.39113	0.5
119.08599	14.2
121.10138	2.4
128.06230	8.6
129.07019	8.9
131.08580	2.1
133.10168	3.7
141.07040	2.0
142.07782	7.2
143.08572	51.9
145.10135	4.3
149.09651	0.6
155.06039	0.8
155.08548	2.0
156.09363	6.7
157.10144	32.8
158.10918	0.8
159.11703	0.9
165.07008	0.6
169.10149	2.1
170.10916	1.6
171.11710	28.1
180.09384	1.1
183.11700	2.3
184.12512	1.2
185.09822	0.6
185.13246	2.8
195.06522	1.0
195.11716	1.9
198.10497	1.1
198.14079	2.4
205.25420	0.6
213.12805	5.3
213.16400	100.0
214.16832	0.8
223.55437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83981	0.5
53.03946	2.0
55.05514	4.9
56.96562	0.8
57.03433	1.7
57.07080	4.5
58.63205	0.8
63.65546	0.7
65.25752	0.7
67.05507	10.9
69.03431	1.5
69.07071	11.2
70.06579	1.3
70.28853	2.3
71.04977	1.9
71.08631	2.3
78.75220	0.6
78.81796	0.7
79.05493	11.5
81.03396	1.0
81.07063	14.3
83.04977	2.0
83.08617	5.3
85.02917	1.0
85.06577	1.3
86.55462	0.7
88.07642	2.6
91.05483	10.3
93.07048	16.3
95.04992	3.2
95.08611	6.3
97.06547	2.3
97.10188	1.1
98.20812	0.8
99.04486	0.8
99.08104	2.9
103.05492	2.2
105.07036	100.0
107.04916	0.8
107.08616	9.8
109.06553	1.7
109.10169	2.3
111.08085	3.0
113.09639	1.0
115.05476	1.8
115.07641	0.8
117.07023	5.9
119.08586	89.7
121.06520	1.4
121.10148	24.3
123.08068	1.9
123.11703	0.9
127.03984	1.1
128.06232	5.1
129.06996	5.0
131.08595	3.6
133.10136	10.7
134.10440	0.7
135.08076	1.0
135.11739	3.6
137.09607	0.7
139.07564	1.1
141.06992	3.0
142.07779	15.4
143.08563	27.8
145.10168	3.5
149.09631	2.1
149.13269	6.2
153.05594	0.7
153.09117	0.8
155.08569	2.7
156.09364	15.0
156.10635	1.5
157.10132	64.9
159.11723	2.7
165.06931	0.9
167.14357	1.2
169.10155	2.8
170.10956	5.9
171.11693	48.5
177.09149	1.2
177.12779	2.3
183.11743	1.3
184.12502	1.9
185.09776	0.8
185.13281	8.8
195.06522	2.3
195.10110	1.0
195.11674	1.6
195.13794	2.2
198.10352	1.0
198.13907	1.6
199.54028	0.6
213.05389	0.8
213.09157	1.9
213.12799	7.6
213.16397	67.4
214.16594	0.9
223.78178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.0
56.96558	1.2
57.07078	4.4
64.27885	0.5
65.03900	0.4
67.05506	2.5
69.03445	0.6
69.06731	0.8
69.07075	9.1
70.06593	0.6
71.04996	1.0
71.52310	0.5
72.08166	0.7
75.96062	0.5
79.05498	4.7
81.07051	2.8
83.08637	3.4
88.07646	2.5
91.05492	6.3
93.07042	6.6
95.04970	1.4
95.08611	2.1
103.05469	0.9
105.07040	62.6
106.07325	0.6
107.08598	6.6
109.06508	0.8
109.10171	0.8
111.04399	0.5
115.05463	1.3
117.07029	3.8
118.91523	0.5
119.08593	55.9
121.10156	12.2
128.06224	4.9
129.07007	5.9
131.08556	1.8
133.10141	7.0
135.11710	0.8
139.07526	1.4
141.06973	2.8
142.06647	0.8
142.07780	12.9
143.08571	28.2
145.06567	0.5
145.10095	3.1
153.06967	0.6
153.09206	0.8
155.07417	0.6
155.08525	2.8
156.09364	11.3
157.10144	50.6
158.10869	1.0
159.11729	1.2
165.06964	1.2
169.10136	3.7
170.10941	4.8
171.11703	43.2
172.12483	0.9
172.17000	3.7
177.16266	0.7
180.09370	0.8
183.08127	0.9
183.11707	6.8
184.12515	2.9
185.09590	0.8
185.13284	5.4
195.06520	1.3
195.10161	0.5
195.11731	2.3
198.10446	1.6
198.14064	5.0
213.12793	7.2
213.16406	100.0
214.16786	1.2
214.25395	1.2
229.15100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03937	1.3
55.05513	3.4
56.96565	0.6
57.03439	0.6
57.07085	3.1
67.05510	3.6
69.03415	0.9
69.07071	9.5
69.79505	1.8
71.04992	0.9
76.92005	0.5
79.05499	7.8
81.07067	4.8
82.07392	0.7
83.04981	1.3
83.08619	4.2
85.02898	0.6
85.06564	1.0
88.07630	2.3
91.05480	9.4
93.07048	11.7
95.04964	1.8
95.08608	3.5
97.06532	1.5
98.20748	0.5
99.04465	0.9
99.08121	0.6
103.05460	2.0
105.07035	100.0
107.08602	6.2
109.06549	1.0
109.10154	4.0
111.08076	1.8
115.05408	0.7
117.07021	5.0
119.08586	82.5
120.08845	0.5
120.28982	0.5
121.10149	24.7
123.08065	1.2
125.09634	0.8
127.03956	0.8
128.06235	4.8
129.07002	4.5
131.08545	2.0
133.10144	8.6
135.08026	0.7
135.11716	1.5
137.09619	3.8
139.07521	1.5
141.06950	1.9
142.07797	12.2
142.11563	0.5
143.08568	26.4
145.10121	1.9
147.11740	0.7
149.09621	1.3
149.13271	1.8
153.09055	0.8
153.12717	0.7
155.08583	2.5
156.09364	12.4
157.10138	46.7
158.10811	1.0
159.11722	1.6
167.08549	0.7
167.10667	0.9
169.10136	2.2
170.10922	6.0
171.11691	39.8
177.09105	0.9
177.12798	1.4
180.09302	0.8
183.08078	0.9
183.11823	2.6
184.12512	3.7
185.09604	0.8
185.13272	8.2
195.06503	1.7
195.10188	1.1
195.11755	1.5
195.13811	3.1
198.10417	1.4
198.14072	3.5
213.09218	1.0
213.12778	8.7
213.16396	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03939	2.6
55.01883	7.1
55.05515	37.3
57.03424	4.1
57.07063	3.1
57.91651	1.0
59.04985	2.9
64.43886	1.0
65.03945	1.7
67.05511	40.0
69.03147	0.9
69.03433	11.7
69.06734	1.7
69.07072	22.9
70.06583	3.2
71.05000	5.9
71.52103	1.6
72.08138	3.1
73.06570	14.1
79.05502	16.0
81.03403	2.7
81.07066	31.8
83.04983	8.9
83.08628	8.3
84.08135	0.9
85.02900	4.6
85.06094	1.7
85.06555	26.3
86.09702	6.6
88.07613	4.8
91.05492	9.3
93.03412	1.8
93.06504	1.5
93.07054	29.8
95.04954	4.0
95.08060	1.6
95.08617	21.3
95.15627	1.0
97.02900	1.9
97.05938	1.3
97.06538	23.7
97.10147	1.6
98.97597	3.0
99.04476	13.7
99.08080	3.6
100.11266	5.3
101.06022	1.3
105.07047	6.7
107.04929	3.5
107.08602	25.1
109.02859	1.6
109.06520	13.4
109.10165	23.0
111.04468	5.0
111.08090	33.7
112.07592	1.1
113.06005	4.5
113.09631	2.5
115.06823	1.5
115.07581	27.3
116.98631	2.0
117.07062	2.0
119.08601	9.9
121.06509	4.2
121.10149	48.8
123.08097	5.7
123.10984	0.9
123.11723	8.0
125.02420	1.3
125.06020	6.3
125.09639	4.3
127.03925	5.3
127.07570	64.0
128.06172	1.9
131.08566	2.7
133.10138	2.6
135.08051	4.6
135.10715	2.0
135.11699	29.5
137.06009	2.5
137.09627	5.7
137.10492	1.2
139.07558	7.7
139.11192	100.0
139.28604	1.0
141.05507	1.5
141.09084	2.0
141.11459	4.4
143.07024	6.9
143.08553	2.0
145.09068	1.7
145.10135	19.8
148.97351	1.5
149.05952	1.2
149.09637	7.0
149.13281	2.3
151.03893	2.3
153.05473	5.7
153.09096	3.3
153.11545	1.6
153.12764	31.5
154.06183	1.5
155.07002	2.9
155.10646	7.7
157.10118	2.1
158.99686	1.8
159.11642	1.3
163.11191	28.7
164.11705	1.1
165.06970	1.3
167.07010	2.4
167.10681	2.6
169.08603	2.2
171.10193	1.7
171.11548	1.1
177.09135	7.8
177.12738	1.6
177.16365	1.9
179.09207	1.3
181.12248	54.2
182.15358	2.4
185.07239	2.3
185.09578	2.4
185.13283	1.2
195.06641	5.0
195.08232	1.0
195.10136	4.2
195.13800	3.1
199.18015	2.9
213.05428	2.0
213.07312	2.0
213.09172	2.1
213.11188	6.8
213.12952	1.8
213.14813	34.8
213.17891	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03936	2.5
53.86825	1.2
55.01866	4.2
55.05520	16.1
56.96567	1.6
57.03444	10.2
57.07066	4.9
58.00060	1.3
59.01313	1.4
59.05010	1.3
65.03932	3.1
67.05508	69.2
69.03422	2.0
69.07070	26.5
69.08937	1.4
70.06590	2.3
70.74252	1.2
71.04993	9.1
71.08619	2.5
71.52238	1.7
73.18849	1.2
74.81574	1.7
79.05020	1.4
79.05495	35.1
81.07056	100.0
83.04977	8.4
83.08624	23.0
85.02864	1.4
85.06555	6.5
88.07617	4.7
91.05488	25.5
93.07047	68.6
95.04984	7.3
95.08611	26.1
97.06538	13.4
97.10183	2.1
99.04449	2.3
99.08108	7.5
100.11914	1.3
103.26044	1.3
105.04469	1.5
105.07037	32.9
107.08595	32.1
109.06501	3.8
109.10155	6.0
111.04506	1.7
111.08080	11.6
113.06007	1.9
113.09589	1.6
115.05413	2.0
116.31879	1.2
117.07026	11.2
119.08593	25.3
121.06520	2.7
121.10147	25.6
123.08056	2.4
123.11692	5.1
125.05997	2.3
125.09607	1.7
127.07540	2.1
128.06244	3.7
129.07007	4.6
131.08569	16.0
133.10143	18.2
135.08043	5.3
135.11697	18.4
139.07556	2.4
139.11160	2.0
142.07788	5.8
143.08549	9.0
145.10112	4.5
147.11662	1.7
147.39917	1.4
149.09630	2.7
149.13260	47.2
151.11192	2.0
155.08499	1.5
156.09315	5.4
157.10123	23.0
159.11687	22.7
165.06870	1.9
167.14325	2.4
170.10896	1.9
171.11678	14.9
177.09207	2.2
177.12723	9.9
183.08003	2.1
185.13206	3.7
195.06474	3.6
195.10178	2.3
195.11890	2.9
195.13814	13.2
198.10449	2.4
213.05399	1.8
213.09117	3.3
213.11058	3.7
213.13039	11.1
213.14713	2.5
213.16435	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03939	1.4
53.81402	0.6
55.01871	10.4
55.05515	45.9
56.96547	1.2
57.03439	1.0
57.07064	1.8
59.04999	2.4
63.74407	0.7
65.03944	0.7
67.05511	21.1
69.03438	5.9
69.07074	10.4
70.06575	1.7
70.63605	2.1
71.04998	43.9
73.06525	0.6
79.05493	15.6
81.03398	2.4
81.06603	1.3
81.07065	26.1
83.04975	5.4
83.08622	30.0
85.06539	5.5
87.04475	8.2
88.07626	2.1
91.05493	5.8
93.07056	14.8
95.04950	2.2
95.08614	10.2
97.02924	0.6
97.06536	66.3
97.10174	40.5
99.04443	1.1
99.08088	2.1
100.11279	0.8
101.06012	1.0
101.09623	1.8
105.07023	3.8
105.44689	0.7
107.04948	1.7
107.08601	19.6
109.02847	0.8
109.06509	1.9
109.10160	14.2
110.07156	0.9
111.04427	1.1
111.08111	4.0
113.06017	1.9
117.07001	4.4
119.08601	2.0
121.06502	2.3
121.10152	6.2
123.08092	1.7
123.11713	1.3
125.05933	1.2
125.09637	27.2
127.03909	1.5
127.07552	1.5
129.06966	0.9
131.08591	4.1
133.10149	4.1
135.08078	5.4
135.11700	6.3
137.09636	1.7
139.07501	1.1
139.11172	3.0
141.06996	1.3
142.07756	0.9
143.08578	1.1
147.11766	0.9
149.09619	4.0
149.13240	4.1
153.09096	2.3
153.12747	1.5
155.07018	1.4
155.10603	0.8
157.06497	0.7
157.10149	2.6
159.11778	3.4
167.07040	1.0
167.08543	0.7
167.10696	2.2
167.14325	0.8
171.10155	1.7
171.11623	1.0
177.09119	1.9
177.12747	6.8
177.16299	1.0
181.12221	0.8
185.09601	1.6
189.11212	7.3
195.06509	2.6
195.10103	2.0
195.13821	37.2
213.09213	2.2
213.11266	3.0
213.14847	100.0
214.15092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	Modiolin
Peak:m/z	Relative Intensity
53.03928	3.2
55.01865	13.4
55.05511	49.2
56.96571	3.7
57.03419	4.8
57.07059	4.5
59.04985	4.7
66.32665	1.3
67.05499	33.6
69.03429	7.9
69.07061	20.3
69.48029	12.0
70.06569	4.2
71.04995	46.2
71.08628	1.9
79.05492	37.3
79.63818	1.5
81.03403	4.6
81.06595	2.7
81.07054	46.5
83.04990	10.7
83.08150	2.6
83.08617	36.3
84.08123	1.9
85.02888	6.4
85.06543	12.9
86.09698	4.2
87.04464	8.7
88.07611	6.5
91.05479	16.2
93.07040	42.4
95.04946	6.9
95.08610	27.5
97.02866	3.0
97.06525	65.9
97.07153	3.3
97.10169	41.8
98.97564	4.0
99.04474	2.5
99.08082	11.3
101.05998	2.8
101.10759	4.1
105.07002	11.0
107.04963	9.0
107.07892	2.1
107.08593	40.8
108.77986	1.5
109.02847	2.4
109.06482	6.7
109.10154	20.3
111.04414	5.5
111.08067	16.6
113.06004	3.5
114.94862	1.4
115.07578	2.4
116.98673	1.7
117.07003	6.5
119.08590	7.3
121.06491	7.4
121.10136	49.7
121.48292	1.6
122.07102	2.0
123.04413	3.2
123.08054	6.7
123.11691	3.6
125.06038	7.0
125.09624	27.9
127.03905	4.6
127.07581	3.8
128.06218	1.5
129.06998	2.6
131.08565	9.5
133.10114	3.6
135.04460	2.4
135.08055	19.4
135.11694	23.8
137.05954	2.4
137.09586	3.3
137.13185	2.6
139.07549	5.3
139.11156	6.3
141.05429	1.6
141.06929	1.6
141.11426	1.5
142.07787	3.5
143.08496	3.3
145.10184	3.7
148.97331	1.4
149.09610	12.8
149.13274	8.3
151.03909	2.9
153.05429	2.3
153.09090	16.6
153.12762	4.1
155.07030	3.4
157.06476	3.0
157.10100	2.2
159.11693	5.2
163.07539	6.0
163.11229	8.3
167.07140	8.2
167.10649	5.0
169.08682	2.2
169.10031	1.8
171.10199	1.7
171.11653	3.7
177.09117	8.4
177.12764	9.4
177.16400	26.9
181.08545	5.7
189.11255	7.1
195.06560	9.2
195.08466	2.0
195.10162	13.1
195.11905	3.2
195.13806	37.2
195.17429	4.2
198.06725	1.5
208.30946	1.7
213.05414	4.9
213.09186	4.0
213.11197	8.1
213.13022	3.4
213.14821	100.0
213.18202	2.8
220.82648	1.6
231.06445	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03956	1.1
53.76566	1.0
55.01884	1.5
55.05513	19.4
57.03456	1.1
57.07076	10.3
67.05514	8.6
69.03423	2.3
69.07072	7.0
70.97143	2.6
71.04984	2.0
71.62171	1.1
73.06532	1.1
79.05503	7.1
81.07072	11.7
83.04992	14.0
83.08628	2.8
83.54594	1.1
84.66248	1.1
85.06553	6.8
88.07644	5.6
89.01738	1.2
91.05467	5.8
93.07054	17.6
95.04967	2.8
95.08614	15.7
97.06526	5.3
99.04430	1.7
105.07017	11.2
107.08607	27.4
109.06530	4.2
109.10182	4.3
111.04448	100.0
111.08079	5.8
113.06034	2.8
117.07003	3.6
119.08610	6.6
121.06493	2.8
121.10163	5.6
125.06000	31.5
127.07573	3.7
128.06265	1.4
129.07021	2.6
130.07791	1.5
131.08553	2.6
133.10110	2.5
135.08073	17.7
135.11707	27.3
139.07576	3.2
141.06921	1.3
142.07776	3.5
143.08583	7.1
144.22629	1.1
145.10136	21.0
149.13300	3.2
149.48831	1.1
153.12724	6.4
155.08566	3.5
156.09373	3.7
157.10159	13.4
163.11205	26.8
165.07005	2.3
169.10269	1.3
170.10909	3.1
171.08080	2.2
171.11682	10.6
180.09454	2.5
181.12239	61.7
183.11736	1.9
184.12431	1.2
185.09750	1.5
185.13278	3.7
195.06627	1.9
195.11740	2.1
195.13811	5.1
198.10484	3.7
198.14072	2.5
213.09352	1.1
213.12881	17.6
213.16432	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	213.1276
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01859	0.6
55.05492	1.5
57.03415	0.7
62.93357	0.5
63.17086	0.5
66.19370	0.4
67.05491	2.2
68.96516	0.6
69.03421	1.8
69.07060	1.9
70.06589	0.7
70.27207	1.7
71.04987	1.6
71.08620	0.7
77.00256	0.5
79.05492	2.6
81.07043	2.3
83.08601	0.9
88.07622	2.8
91.05464	2.1
93.07062	2.8
95.04980	1.0
95.08615	1.1
105.04543	0.6
105.07036	4.5
107.04970	0.6
107.08598	2.2
111.04435	0.7
111.08162	0.5
115.05453	1.3
117.07016	0.9
119.08562	1.4
121.06533	1.6
121.10146	1.0
128.06216	3.1
129.07025	4.3
131.08551	1.9
135.08113	0.9
135.57719	0.5
137.09543	0.5
141.06995	3.6
142.07787	4.0
143.08563	12.3
144.86867	0.5
145.06479	0.7
145.10201	0.6
149.13246	0.9
153.07016	4.1
154.07736	2.1
155.08566	18.1
156.09343	11.0
157.06517	1.1
157.08817	0.6
157.10129	10.5
165.07013	26.5
166.07782	1.1
167.08546	5.1
169.10124	5.8
170.10902	6.6
171.08080	3.0
171.11702	31.5
172.08813	4.5
177.16385	0.6
178.07799	0.9
179.08569	4.0
180.09346	28.3
183.08052	7.1
183.11684	0.6
184.08887	1.0
185.09634	2.9
185.13248	4.9
193.10168	0.5
195.06732	1.0
195.11705	59.5
197.09604	1.5
198.10393	11.8
211.11192	0.7
213.12756	100.0
213.16261	5.7
214.13228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1274
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
51.66728	0.6
53.03927	1.0
55.05500	2.8
57.03430	1.2
57.07058	1.4
58.31675	0.6
67.05502	4.2
69.03418	1.5
69.07059	3.0
70.06581	0.8
71.04993	1.8
71.52198	0.8
78.07803	0.6
79.05508	4.4
80.30566	0.6
80.43059	0.7
81.07061	4.5
83.04967	1.2
83.08585	1.9
85.06541	0.9
88.07623	2.0
91.05464	4.1
93.07040	5.3
95.04951	1.6
95.08595	2.6
97.06530	1.7
97.10149	1.0
99.08102	0.6
105.07036	10.7
107.08618	3.6
109.06518	1.0
109.10180	0.9
115.05422	0.7
117.06997	1.7
119.08590	8.8
121.06546	1.6
121.10146	3.6
128.06227	3.4
129.06995	5.6
131.08549	1.5
133.10120	1.9
135.11705	2.5
141.06947	3.9
142.07784	7.3
143.08565	15.3
145.10103	1.4
149.13297	0.8
153.06944	4.0
153.52686	0.7
154.07771	2.7
155.08565	17.8
156.09354	12.0
157.06564	0.7
157.10129	16.3
158.07234	0.7
159.11626	0.8
163.11211	0.8
165.07008	27.8
166.07805	1.4
167.07195	1.2
167.08524	5.2
169.06422	0.7
169.10126	7.2
170.10904	8.6
171.08043	2.8
171.11693	33.9
172.08830	4.1
178.07776	0.8
179.08545	4.6
180.09344	28.6
183.08035	6.7
183.11729	0.9
184.08771	0.9
185.09644	4.0
185.13275	5.6
192.22542	0.8
195.06595	1.7
195.11703	59.0
197.09615	1.1
198.10399	12.9
198.13995	1.4
213.12759	100.0
213.16115	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	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03937	3.3
55.01852	2.9
55.05519	6.3
56.96562	1.6
57.03423	2.3
57.07050	1.6
61.08258	1.0
64.27094	1.0
65.03930	2.4
67.05511	6.2
69.03434	5.3
69.07049	3.9
69.19372	8.3
69.96026	0.9
70.06596	6.1
71.04986	2.6
72.58827	1.3
73.02900	1.4
79.05084	1.1
79.05499	19.5
81.03405	4.0
81.07054	10.3
83.04977	4.7
83.08600	1.9
84.08120	1.3
85.02896	3.2
88.07600	2.3
88.26324	1.0
89.03983	1.2
91.05492	29.1
91.62064	1.0
93.03397	1.1
93.07048	32.6
95.04987	6.5
95.08614	6.8
97.02886	3.8
97.06547	6.1
98.20834	2.5
98.97593	1.5
99.04427	3.5
103.05467	2.5
105.07038	46.0
107.04978	7.3
107.08601	80.4
109.02856	1.0
109.06528	5.6
109.10139	3.7
110.03649	1.0
111.04444	5.7
111.08077	2.2
114.49534	1.0
115.03942	1.3
116.06225	3.9
116.07008	1.0
116.98639	1.1
117.07014	3.7
119.01929	2.3
119.08591	100.0
121.02853	1.9
121.06556	6.5
121.10154	37.9
123.04423	4.1
123.08069	6.2
123.11666	1.5
125.02314	4.0
125.05999	7.4
125.09618	1.8
126.03755	1.2
127.03960	1.2
129.06996	3.6
130.96289	2.0
131.08582	42.3
133.06488	5.4
133.10153	5.1
135.04417	4.3
135.08041	11.1
137.06033	2.2
137.09561	2.1
139.03896	3.9
139.11168	2.4
140.04720	1.7
141.05478	6.4
143.01854	2.6
147.08060	46.7
148.97368	2.7
149.06091	2.2
149.08417	2.3
149.09628	47.2
150.03062	1.3
151.03871	4.1
151.07509	2.2
151.11179	3.3
153.05467	17.2
153.09059	3.1
155.06989	1.7
157.04979	1.2
159.08054	9.6
161.02962	4.2
163.03883	3.3
165.09131	39.9
167.03366	2.7
167.07043	5.1
167.10686	16.8
177.05556	2.3
177.09126	41.1
181.04950	11.5
189.97653	1.6
195.06522	6.4
195.10172	48.0
213.05414	1.2
213.07701	2.0
213.11195	48.0
213.16003	2.2
223.70660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1124
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03946	1.7
55.01869	2.2
55.05508	2.4
57.07084	1.4
65.03954	1.4
67.05501	7.6
69.03433	3.2
69.07060	3.9
70.95754	2.9
71.05001	4.1
72.08164	1.6
79.05492	13.5
81.07072	8.4
83.04991	2.6
83.08646	3.3
85.06573	1.7
86.09732	2.0
87.00405	1.2
87.00856	10.4
91.05478	10.3
93.07059	18.4
95.04986	5.0
95.08611	12.7
97.06549	4.1
98.97591	2.6
105.07041	19.7
107.04951	2.2
107.08607	43.9
107.10673	1.4
109.06528	12.8
109.10165	7.4
111.04444	3.1
111.08098	5.2
117.06932	1.3
119.04935	1.5
119.08576	3.8
121.06522	2.0
121.10157	85.8
123.04463	1.3
123.08083	38.7
125.05996	2.3
125.09637	10.1
127.03938	2.4
127.07568	4.2
129.07011	1.4
131.08580	7.9
133.07607	2.3
133.10231	3.0
135.04384	1.6
135.08041	9.5
135.11740	1.6
137.06015	3.9
139.11200	3.2
144.49890	1.4
149.09636	68.7
151.07526	1.7
151.11174	2.5
153.09123	4.1
154.06207	3.0
155.07071	7.4
159.08012	1.8
167.07106	2.2
167.10709	17.7
169.08624	25.3
169.10080	1.5
171.10178	19.9
171.11519	2.3
177.09129	99.3
181.04964	3.8
185.07104	3.0
195.06554	4.7
195.10196	33.9
195.13876	2.3
213.06764	3.8
213.11227	100.0
230.56473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
52.22233	0.7
53.03947	1.8
55.01860	1.3
55.05506	3.0
56.96555	1.0
57.03450	0.8
61.02928	8.6
62.65821	0.7
65.03944	6.4
67.05228	0.6
67.05513	6.6
68.22794	0.8
69.03434	1.7
69.07088	1.5
70.06599	14.7
70.35004	1.2
70.35359	1.4
71.04993	1.4
72.08147	2.2
79.05493	15.6
81.03413	2.0
81.07056	3.8
83.04975	1.5
83.08630	1.0
85.02900	1.4
86.09712	3.6
88.07645	1.8
89.03940	0.9
91.05486	4.3
93.03415	8.7
93.07051	3.2
95.04953	5.6
95.08595	2.5
97.02890	1.0
97.06533	1.8
99.04467	2.1
101.99284	0.7
105.03410	1.2
105.04515	0.9
105.07014	1.6
107.04957	26.8
107.08613	2.9
108.02083	2.4
109.02879	1.8
109.06549	1.8
109.10139	1.2
110.03666	18.5
110.07230	0.8
111.04449	11.4
111.08050	0.8
112.17847	0.7
113.06001	0.7
116.07067	2.6
116.98608	0.8
117.03393	1.7
119.04941	1.9
119.08568	1.6
121.02862	0.7
121.06499	9.7
121.10143	2.7
122.03677	4.1
122.07172	0.7
123.04412	1.4
123.08023	1.0
125.05997	65.0
127.03919	2.1
129.06898	0.7
130.96346	2.1
131.08588	1.1
133.02853	12.0
135.04413	25.1
135.08035	1.9
135.11761	1.0
137.05981	4.2
139.03914	1.8
139.07544	0.8
139.11215	0.8
141.05466	3.4
148.97360	3.3
149.05992	22.1
149.09650	2.3
150.03131	10.7
151.03915	100.0
151.05029	10.1
153.05478	15.3
155.07048	1.4
157.04970	2.1
162.03072	1.0
163.03903	9.2
165.05482	39.6
167.07037	18.5
167.08446	1.1
167.10677	1.1
177.05472	21.0
177.09088	1.5
189.97557	1.0
195.04799	1.8
195.06535	23.3
195.10211	1.1
213.05525	1.5
213.07495	11.8
213.09184	1.3
213.12422	3.0
213.16306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1647
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
53.67751	0.3
55.01898	0.4
55.05504	2.0
56.05058	0.4
56.96575	0.9
57.03422	0.6
58.06606	0.7
66.68501	0.3
67.05509	1.9
68.05044	1.1
69.03421	0.7
69.07082	1.6
69.24451	0.3
70.06588	2.8
70.98922	0.4
71.51930	0.6
72.08158	0.6
79.05506	2.2
80.05024	1.4
80.57098	0.3
81.03426	0.5
81.05811	0.5
81.07045	2.1
82.06596	0.7
83.05008	0.5
83.07372	1.1
83.08617	0.9
84.08160	3.3
84.85260	0.4
85.02905	0.7
85.06543	0.7
86.06062	2.8
91.05478	1.2
93.07040	2.0
94.06590	0.6
95.04976	1.0
95.08610	1.7
96.08137	11.2
96.08781	0.6
97.02848	0.7
97.06558	0.6
98.06065	1.1
98.09722	0.4
98.97626	0.6
100.07681	0.6
103.05486	0.6
105.07026	0.9
106.06562	0.5
107.04961	4.7
107.08580	2.1
108.08138	1.1
109.02838	0.4
109.06523	0.9
109.08907	1.1
109.10150	0.9
110.06055	1.1
110.06782	0.4
110.09686	1.1
110.10407	0.3
112.07595	0.5
115.05445	0.5
116.10749	1.4
117.07014	0.3
119.08589	0.7
120.08115	1.2
121.10152	0.6
121.31298	0.4
123.08025	0.4
124.07593	1.1
124.11210	0.4
126.09177	0.7
127.03854	0.5
131.08574	0.4
133.10226	0.4
134.05994	0.5
134.09627	0.7
134.10539	0.4
135.08064	1.4
135.11707	1.1
136.07585	1.3
136.11238	0.6
136.49010	0.3
137.05962	0.9
138.10049	0.4
140.10754	0.5
142.08629	5.5
148.11157	0.3
149.09645	1.1
149.10822	0.3
151.11212	0.6
152.07002	0.5
152.10645	0.4
153.05556	0.4
153.09134	0.5
154.08609	0.3
154.12296	0.7
161.62520	0.3
162.05527	0.4
163.07545	1.6
164.68405	0.3
166.04968	0.6
166.08630	1.2
166.15959	2.6
167.07039	6.5
168.07751	0.9
168.10255	0.4
176.14342	1.3
177.09123	0.7
184.09785	0.8
190.72134	0.3
194.08205	1.1
194.15419	46.5
195.10162	1.9
195.15529	0.3
212.09271	1.6
212.16466	100.0
213.11275	1.0
213.16940	0.7
214.00186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1184
Annotation	Trp-P-1
Peak:m/z	Relative Intensity
53.49833	0.4
55.01873	0.8
55.05503	0.8
56.96563	4.1
57.03440	0.6
65.03940	0.6
67.05505	1.0
69.03429	2.1
69.07070	0.9
70.06586	0.7
70.98119	1.0
71.51445	0.4
73.02923	1.1
77.03947	1.2
79.05492	1.1
80.05032	1.1
81.03425	1.2
81.07064	0.8
83.04952	0.7
84.08163	0.7
85.02910	2.0
85.06576	0.5
86.06078	1.1
86.09721	0.4
87.31625	0.4
91.05483	0.5
92.05007	6.8
92.05579	0.6
92.05795	0.4
93.07040	0.6
94.06570	43.7
95.04990	2.7
95.08630	1.1
97.02892	2.4
98.06064	1.0
98.97590	2.4
99.04456	0.6
105.04501	1.2
105.07042	0.6
106.06545	0.4
107.08575	0.7
109.02883	0.7
109.06522	0.5
109.10139	0.5
110.06039	0.9
110.97629	0.6
111.04497	0.9
111.08068	0.5
111.18124	0.4
116.98627	0.9
119.06069	65.9
120.08130	0.8
120.08924	0.7
121.00510	0.4
124.07587	0.4
127.03911	0.9
130.01028	0.9
133.10088	0.5
134.06108	0.5
136.07564	1.2
142.08644	0.5
146.99738	0.6
148.07555	0.3
149.02380	4.6
150.02687	0.6
152.07109	1.4
154.01053	0.6
154.08568	0.5
155.01793	0.5
158.99619	0.4
160.22775	0.4
161.01205	0.5
163.01724	0.4
163.03896	0.4
166.08615	0.5
167.07117	0.5
169.01428	0.4
170.99648	0.4
174.05835	0.4
177.09135	0.5
180.06570	0.9
184.02087	2.7
184.09830	0.8
188.19711	0.4
189.78792	0.4
193.02647	2.1
194.04469	1.9
194.08156	1.5
194.15445	0.8
195.09181	19.8
195.52800	0.4
211.02806	1.7
212.11826	100.0
213.11644	0.5
219.67197	0.4
229.03839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0918
Annotation	CJ 14877
Peak:m/z	Relative Intensity
55.01878	0.6
55.05488	0.4
61.65342	0.3
67.05499	0.4
68.78287	0.3
69.03455	0.4
69.07061	0.4
70.06587	3.6
71.23466	0.7
73.02910	0.6
76.04005	0.7
79.05512	0.5
80.04973	0.3
84.04511	0.7
84.08138	1.2
85.02915	0.8
86.06028	0.3
86.09698	0.7
87.04493	0.4
93.07043	0.4
94.06584	0.8
95.04941	0.4
96.04486	0.4
98.97549	0.5
103.05452	0.6
108.04474	1.6
108.58949	0.3
116.07080	2.2
120.08111	1.9
122.06042	0.7
123.06812	0.8
124.03957	0.4
124.07616	1.7
125.05734	0.3
129.00444	0.3
129.10295	0.5
131.01918	0.9
134.06020	13.6
136.07585	3.2
136.87041	0.3
137.08331	1.4
138.05481	1.1
138.09058	0.3
143.01897	0.7
147.01347	0.4
148.07585	4.4
150.05481	2.1
152.03494	1.7
152.07065	27.5
157.68253	0.3
160.07559	1.4
161.02951	3.8
166.03410	0.4
166.08643	28.1
168.06581	0.5
172.25743	0.4
176.07076	6.6
177.10283	0.8
177.79634	0.4
184.04553	2.5
184.05972	0.4
184.09656	2.5
194.08128	100.0
195.08464	0.7
212.09177	67.6
213.09596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	beta-Isocyclolavandulyl propionate
Peak:m/z	Relative Intensity
53.03945	2.9
54.74021	1.7
55.01865	6.2
55.05511	40.1
56.96297	3.1
56.96569	45.3
57.03443	4.1
57.07074	3.9
67.05510	44.9
69.03435	4.4
69.06726	2.4
69.07073	27.8
69.90657	7.7
70.98132	3.9
71.04983	5.9
78.30409	1.5
79.05504	22.5
81.03419	19.1
81.07062	85.0
83.04992	19.5
83.08627	25.7
84.96043	4.3
85.02934	2.8
85.06535	8.1
85.16318	1.5
91.05486	27.1
93.07050	26.5
95.04985	10.1
95.08614	100.0
97.06533	20.3
97.10191	8.4
97.99201	8.1
99.08076	5.1
103.02322	2.1
105.07040	34.7
107.04982	2.7
107.08604	15.4
109.06535	8.4
109.10168	14.2
111.04452	2.7
111.08093	7.6
115.07607	2.8
116.00218	2.4
117.06974	1.8
119.08588	44.6
121.10176	11.1
123.08119	11.2
123.11720	4.1
125.04209	1.6
125.09637	2.2
127.07584	2.6
127.11207	1.7
129.07014	3.8
131.08583	5.4
133.10136	28.6
134.55042	1.6
135.11705	21.1
137.09613	4.5
137.13261	17.5
141.09131	1.7
143.05429	4.3
147.11707	5.0
148.04652	7.4
150.06276	1.9
151.11200	2.2
151.14801	4.1
155.05334	1.8
155.08607	3.1
157.10146	4.1
159.06783	1.7
161.13268	85.5
162.06221	2.3
164.05963	15.2
164.56213	2.8
165.07178	1.6
169.08830	2.1
169.10152	6.8
169.12259	2.0
173.06516	13.6
174.08046	5.0
174.58226	1.6
175.11134	5.5
175.14664	1.7
175.56725	2.9
178.07698	1.5
179.14326	65.3
181.10176	2.4
183.08578	4.3
183.11667	2.2
183.58672	2.1
190.09343	4.7
193.12277	12.0
196.08873	2.5
196.12480	5.2
199.09915	7.2
202.10101	1.6
210.60698	2.2
211.11130	5.4
211.13268	7.3
211.14839	15.1
211.16989	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.35197	0.9
54.01514	0.9
55.05513	12.6
56.96563	1.5
57.03427	1.6
57.07067	3.4
59.04990	2.3
66.37552	1.1
67.05184	1.5
67.05508	22.8
69.03432	9.3
69.07066	15.7
70.66639	2.7
71.04988	3.2
71.08636	1.1
79.05482	4.5
81.07063	26.6
83.04991	12.1
83.08613	10.3
85.06538	4.1
91.05466	4.1
93.07049	12.9
95.04951	2.0
95.08611	36.6
97.06528	1.7
97.10150	2.1
97.99157	1.1
99.08110	4.8
105.07020	8.1
105.64037	1.0
107.08597	25.6
109.06516	10.8
109.10159	100.0
111.08075	4.7
113.09631	1.3
117.92312	0.9
119.08582	25.4
121.10143	11.3
123.08068	12.9
123.11702	10.5
125.09631	3.8
127.11189	1.5
133.10130	20.3
135.11693	76.8
137.09616	15.5
139.11157	2.4
147.11736	2.1
149.13245	6.6
151.11209	12.0
151.14819	15.4
153.12723	3.1
165.12912	1.0
165.16417	2.5
171.35152	1.0
172.82159	0.9
175.14827	25.6
182.61989	1.0
183.15733	1.5
193.14238	1.9
193.15900	24.3
211.15120	1.6
211.16934	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	211.1696
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03944	2.5
55.01874	6.7
55.05518	25.5
56.96312	4.2
56.96573	59.3
57.03436	8.8
57.07069	9.1
59.04998	6.7
62.40506	2.0
67.05178	3.3
67.05511	38.4
69.03439	41.3
69.07072	41.2
69.38465	7.6
69.38890	10.7
70.06591	4.6
71.05001	79.0
74.36514	2.6
79.05499	16.3
81.03436	12.5
81.07063	57.2
83.04988	13.4
83.08629	14.2
84.96028	9.4
85.02907	8.0
85.06551	22.9
86.09683	4.4
91.05486	23.3
93.07053	46.3
95.04966	13.3
95.08615	74.1
97.06546	18.2
97.10203	4.2
97.99188	28.0
98.98521	3.7
99.04467	96.9
99.08134	13.2
99.08672	2.6
105.07043	24.3
107.08605	53.7
109.06518	21.9
109.10172	94.9
111.08102	13.4
112.94966	2.4
113.06015	3.4
113.09659	15.9
115.07561	15.6
116.00217	8.7
117.07036	2.7
119.08582	38.8
121.10169	24.2
123.04416	3.0
123.08092	17.9
123.11720	35.6
125.06024	5.0
125.09643	84.2
125.10574	4.1
127.07522	8.2
127.11189	7.3
129.07030	4.8
131.08551	5.1
133.06525	2.9
133.10143	42.9
135.08075	7.1
135.11711	100.0
137.06023	3.8
137.09615	16.6
137.13283	3.1
139.11182	6.2
141.09148	4.7
141.12750	6.8
145.10098	2.6
147.11690	12.2
149.09625	3.9
149.13266	14.7
151.07520	4.9
151.11217	12.6
151.14871	20.5
153.05389	2.7
153.09082	4.0
153.12741	22.6
155.08498	3.7
155.10690	4.1
157.10129	4.3
161.09491	2.3
165.09091	5.1
165.12753	10.5
167.07057	7.6
169.10158	3.9
169.12173	4.8
169.15900	3.8
173.13316	3.8
175.11172	6.7
175.14859	45.3
179.07004	2.4
181.10207	2.7
183.06538	3.3
193.08435	3.0
193.12234	11.9
193.15924	27.4
211.07549	6.9
211.11217	5.1
211.13246	7.3
211.14897	9.1
211.16928	71.1
211.20123	2.8
215.12848	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03935	4.9
55.01863	4.0
55.05512	40.2
56.96302	3.1
56.96568	48.2
57.03436	8.3
57.07082	1.7
59.04962	1.7
61.12411	1.9
62.71296	1.5
65.03922	1.8
67.05507	32.2
69.03426	13.4
69.07069	12.5
71.04992	6.6
71.08642	2.2
71.52483	2.4
72.72530	1.4
73.71037	1.6
78.51335	1.7
79.05495	32.1
81.03420	100.0
81.07061	43.5
83.04491	3.0
83.04980	47.1
83.08157	2.5
83.08624	38.2
84.96034	9.7
85.02892	7.4
85.06535	5.5
91.05481	31.1
93.07040	21.8
95.04968	35.1
95.08612	20.0
97.02904	5.2
97.06536	7.4
97.10170	7.6
97.99195	18.0
99.08076	4.7
105.07032	26.8
107.04951	6.7
107.08598	14.9
109.06557	10.1
109.10146	10.3
111.04428	4.5
111.08090	18.1
115.05471	2.0
116.00225	8.0
117.07021	4.6
119.08594	24.2
121.06497	2.4
121.10131	8.8
123.08074	6.7
123.11712	4.7
124.70911	1.5
125.09644	2.7
125.98711	2.5
127.07616	3.0
129.07008	14.6
131.08560	10.9
133.06497	3.8
133.10130	16.4
135.08022	2.1
135.11682	7.1
137.06015	2.1
137.09605	4.3
141.06949	2.3
142.07747	2.8
143.99748	2.1
147.08076	5.1
147.11691	16.7
149.09645	8.1
151.07573	3.7
151.11224	4.8
155.08559	8.0
157.10158	15.7
163.74390	1.7
165.07030	1.7
165.12743	5.8
167.08528	3.2
168.09380	3.5
169.10143	12.9
169.12204	3.9
170.10814	1.9
175.11191	20.7
175.12575	2.0
175.14796	4.3
179.10828	1.8
179.92795	1.5
181.10135	2.8
182.10925	1.9
183.06494	1.6
183.11707	5.3
193.12247	56.1
193.15953	3.8
196.08769	2.8
196.12448	5.6
205.98601	1.9
211.07753	2.2
211.11101	9.5
211.13257	31.5
211.14859	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02351	0.9
53.03921	3.8
55.01882	6.9
55.05515	47.4
56.72178	1.0
56.96570	32.2
57.03442	9.5
57.07061	1.7
59.04978	2.8
65.03934	1.9
67.05508	37.0
69.03436	13.9
69.06744	1.1
69.07073	15.6
70.06573	1.4
70.17272	1.7
70.17655	2.1
71.04999	15.4
73.02915	0.9
73.90893	1.0
77.03936	1.0
79.05498	40.6
81.03423	100.0
81.07061	51.0
82.83102	1.0
83.04987	54.3
83.08624	40.6
84.96035	5.2
85.02866	4.2
85.06551	5.8
86.09689	1.8
87.04440	1.1
91.05487	37.9
93.07053	26.2
95.04973	39.9
95.08611	25.2
97.02905	4.5
97.03400	1.0
97.06540	7.5
97.10174	8.2
97.99190	11.5
99.04423	4.1
99.08058	3.7
103.05479	0.9
105.03378	1.8
105.07034	33.3
107.04965	8.3
107.08601	25.1
109.02850	1.7
109.06534	13.0
109.09499	1.0
109.10164	14.2
111.04410	3.6
111.08086	17.6
113.06002	1.8
115.05380	2.6
116.00218	4.6
117.06976	2.5
119.04951	1.4
119.08588	26.6
119.95723	1.4
121.06475	2.8
121.10148	12.8
123.04406	1.2
123.08083	5.7
123.11745	4.3
125.05972	2.1
125.09662	4.9
127.07534	2.2
129.07010	13.0
131.07733	1.2
131.08575	14.4
133.06488	4.6
133.10139	19.5
135.08020	1.4
135.11693	7.3
137.05991	1.9
137.09599	5.6
137.13202	1.4
142.07745	3.2
143.99689	1.6
145.10083	1.3
147.08061	5.1
147.11694	23.0
149.05968	1.4
149.09627	10.3
149.13322	1.8
151.07495	1.7
151.11125	3.9
151.14786	4.0
153.09109	1.7
155.07031	1.2
155.08388	1.0
157.09000	1.2
157.10149	19.3
165.12758	6.7
167.07008	1.7
169.10117	2.0
169.12181	1.7
175.09781	1.4
175.11197	21.9
175.14827	7.7
179.10690	1.3
190.07324	0.9
193.08521	1.9
193.12253	62.3
193.15826	8.1
196.12442	1.5
205.98717	1.4
211.07524	2.7
211.11305	1.8
211.13220	34.8
211.14714	2.5
211.16747	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03947	4.9
55.01880	9.1
55.05515	37.5
56.96300	2.8
56.96568	39.1
57.03442	10.1
57.07071	3.5
59.04999	3.1
65.03934	2.3
67.05510	39.2
68.99780	1.7
69.03432	12.1
69.07070	19.4
69.25944	12.4
70.06603	1.5
71.04990	9.5
73.02927	1.5
74.97610	1.4
77.03920	1.6
79.05499	31.1
81.03426	100.0
81.07060	49.0
83.04493	2.6
83.04987	50.1
83.08624	37.3
84.96047	8.6
85.02911	4.0
85.06539	6.0
91.03961	2.2
91.05487	44.9
93.07053	29.1
95.04980	42.4
95.08614	38.0
97.02901	3.8
97.06532	9.9
97.09647	1.4
97.10157	8.8
97.77361	1.6
97.99191	14.9
99.04459	7.6
99.08090	3.6
103.05470	1.7
105.03432	1.4
105.04515	1.5
105.07039	41.9
107.04960	7.6
107.08605	31.5
109.06521	18.1
109.10171	22.6
111.04436	4.7
111.08084	15.1
113.06013	2.6
115.05436	2.0
115.75581	1.2
116.00241	11.3
117.07033	4.1
119.08598	28.1
119.95725	1.5
121.06520	35.5
121.10155	59.5
123.04432	6.9
123.08076	11.2
123.11719	22.5
125.09604	4.4
127.03915	5.1
127.07520	2.2
129.06990	11.3
131.08597	14.6
133.06505	3.6
133.10144	45.3
133.11108	2.8
135.08066	2.0
135.11700	4.5
137.06010	3.4
137.09631	8.5
142.07846	2.7
143.08588	3.8
143.99731	2.4
145.10167	3.0
146.34154	1.3
147.08081	3.0
147.11708	20.4
149.07939	2.3
149.09630	8.9
151.07674	1.7
151.11189	38.2
153.09135	1.5
155.07184	1.4
155.08531	3.5
157.10139	17.9
160.08821	4.2
161.09630	16.9
165.12773	5.1
167.08455	1.3
168.09370	2.0
169.10132	5.5
169.12222	2.9
175.11195	20.1
175.14862	3.3
179.08984	7.0
179.10686	15.7
181.10115	3.6
183.11708	1.6
193.12259	61.5
193.15909	2.0
196.12485	7.4
197.11713	2.1
211.07594	2.8
211.11104	4.9
211.13293	39.7
211.14911	11.7
211.16829	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	211.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32719	1.2
53.03943	2.9
55.01877	16.4
55.05515	100.0
57.07065	2.3
58.99585	1.9
62.99080	23.9
69.03431	1.7
69.70235	1.3
71.01354	3.0
71.03762	2.2
71.04967	2.0
73.02896	4.5
73.06561	9.2
74.99068	18.3
78.84970	1.1
81.07058	1.7
85.01123	4.0
87.02701	20.4
89.00642	1.4
89.02397	13.8
91.02188	3.3
92.99594	1.7
93.00115	23.2
95.08642	1.4
97.02894	1.3
102.98539	19.1
103.02147	3.6
103.03949	2.3
105.03740	45.1
116.38036	1.1
120.99573	84.6
121.03201	15.1
122.07131	1.7
123.04819	6.4
124.20575	1.3
133.03178	1.7
133.04881	1.1
136.26083	1.1
136.99063	1.2
139.00592	6.4
147.04759	17.1
165.05710	1.2
175.04288	3.5
193.05313	79.3
211.06354	48.9
211.11922	2.1
211.85988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	26.6
55.05270	10.9
55.05514	100.0
56.96566	16.8
57.03431	14.8
57.07066	20.2
60.33929	9.0
62.99056	18.5
67.05490	30.0
69.03412	25.3
69.07061	19.4
69.95966	8.6
70.06583	8.8
70.22378	32.3
71.01354	9.4
71.04990	22.1
73.02933	18.3
74.99099	8.8
79.05476	32.2
81.03408	30.7
81.07052	59.8
83.04980	34.2
83.08603	18.2
85.02886	11.6
85.06529	10.6
87.04450	16.0
89.02364	14.8
91.05499	55.7
93.00097	21.5
93.07044	19.1
95.04958	28.8
95.08595	36.0
96.96053	8.3
97.02863	15.8
97.06567	19.2
99.04469	9.5
99.08138	13.8
105.03745	24.5
105.07027	29.3
107.08611	23.1
109.02844	10.5
109.06527	33.9
109.10150	23.7
111.04466	11.3
111.08105	14.4
115.03949	18.8
118.03326	9.4
119.08578	23.8
120.99582	66.0
121.03087	10.3
121.06498	9.6
121.10128	14.9
123.08107	14.7
127.07561	10.6
130.02219	10.5
133.02922	11.2
133.05046	11.1
133.10094	26.2
135.11723	14.5
137.05975	16.4
137.09604	14.1
147.04588	11.4
147.08057	9.8
147.11673	12.3
149.02362	18.8
150.81805	7.9
151.03931	9.8
151.07492	13.2
151.11182	10.9
153.09105	10.0
164.07047	11.9
165.05458	14.4
165.09149	11.8
183.06621	10.2
187.91716	13.6
193.05319	58.3
193.08617	12.2
193.12251	25.5
205.92697	30.9
210.07541	17.7
210.15616	8.4
210.94066	39.6
211.06281	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	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	26.6
55.05270	10.9
55.05514	100.0
56.96566	16.8
57.03431	14.8
57.07066	20.2
60.33929	9.0
62.99056	18.5
67.05490	30.0
69.03412	25.3
69.07061	19.4
69.95966	8.6
70.06583	8.8
70.22378	32.3
71.01354	9.4
71.04990	22.1
73.02933	18.3
74.99099	8.8
79.05476	32.2
81.03408	30.7
81.07052	59.8
83.04980	34.2
83.08603	18.2
85.02886	11.6
85.06529	10.6
87.04450	16.0
89.02364	14.8
91.05499	55.7
93.00097	21.5
93.07044	19.1
95.04958	28.8
95.08595	36.0
96.96053	8.3
97.02863	15.8
97.06567	19.2
99.04469	9.5
99.08138	13.8
105.03745	24.5
105.07027	29.3
107.08611	23.1
109.02844	10.5
109.06527	33.9
109.10150	23.7
111.04466	11.3
111.08105	14.4
115.03949	18.8
118.03326	9.4
119.08578	23.8
120.99582	66.0
121.03087	10.3
121.06498	9.6
121.10128	14.9
123.08107	14.7
127.07561	10.6
130.02219	10.5
133.02922	11.2
133.05046	11.1
133.10094	26.2
135.11723	14.5
137.05975	16.4
137.09604	14.1
147.04588	11.4
147.08057	9.8
147.11673	12.3
149.02362	18.8
150.81805	7.9
151.03931	9.8
151.07492	13.2
151.11182	10.9
153.09105	10.0
164.07047	11.9
165.05458	14.4
165.09149	11.8
183.06621	10.2
187.91716	13.6
193.05319	58.3
193.08617	12.2
193.12251	25.5
205.92697	30.9
210.07541	17.7
210.15616	8.4
210.94066	39.6
211.06281	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	210.0762
Annotation	(S)-MCPG
Peak:m/z	Relative Intensity
70.51901	1.1
72.25477	0.3
76.01397	0.4
79.05505	0.8
91.05487	4.9
93.07042	0.5
103.05475	4.9
105.65244	0.3
117.05752	2.4
118.04173	0.6
118.06543	7.2
119.04964	0.6
119.07331	1.7
120.08109	3.9
128.04913	0.7
131.04948	0.4
146.06015	83.0
147.04433	2.8
147.06302	0.5
151.03909	0.9
164.07076	100.0
165.07451	0.5
166.64299	0.4
174.05470	0.4
175.03909	0.9
191.24913	0.4
192.06561	14.0
193.04953	0.4
210.07626	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	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67599	0.3
55.05523	0.4
56.96570	0.7
62.06093	2.4
67.05495	0.5
69.03426	1.0
69.07062	0.4
70.06598	1.1
70.44768	0.6
71.05003	0.4
72.04516	1.4
74.06074	0.4
74.09093	0.3
77.03968	0.3
79.05507	1.9
80.05028	0.6
81.03415	1.1
81.07053	0.6
82.01743	0.3
82.07420	0.4
83.04994	0.4
84.04517	0.5
84.08150	0.5
84.69231	0.3
85.94608	0.3
87.04524	0.3
91.05479	4.1
93.07053	1.1
94.06581	0.4
95.04975	0.6
97.06513	0.4
97.99181	0.5
103.05474	5.1
105.07035	6.7
106.02916	0.4
106.07372	0.4
107.04955	2.5
108.04533	0.5
108.08154	0.5
108.08870	0.4
109.06539	0.4
116.07076	0.3
117.05767	1.4
117.07018	2.5
118.06560	3.9
119.07328	5.5
119.08603	0.9
120.08113	8.3
122.06013	0.9
122.10490	0.5
123.04407	0.4
128.06224	1.2
129.03377	0.5
129.07013	5.0
130.02890	0.6
130.06502	0.5
131.04953	1.9
131.07326	1.6
136.07581	1.0
139.11147	0.6
140.11296	0.3
141.20773	0.3
144.08084	1.2
145.96661	0.7
146.06017	5.7
146.09644	6.9
147.04440	1.9
147.08076	0.4
149.02332	6.5
150.01846	0.5
150.05589	0.5
163.97748	1.5
164.07071	6.9
164.10719	100.0
165.09175	0.7
165.11072	0.8
174.05508	4.9
178.04927	0.4
182.08124	0.9
183.23846	0.3
186.99261	0.3
192.02887	0.6
192.06548	2.6
192.10164	1.3
210.03841	0.4
210.07729	3.3
210.11255	19.4
210.14955	0.9
212.86250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	1.1
53.41896	1.0
55.01861	1.0
55.05514	52.1
57.03437	1.1
57.07060	1.7
59.04985	3.2
67.05515	5.6
69.03420	3.2
69.07082	9.8
69.53732	7.5
71.04983	3.3
79.05486	9.3
81.07059	10.6
83.04495	2.0
83.04988	38.5
83.08621	27.7
85.06535	2.9
91.05470	4.8
93.07044	29.9
95.04974	49.5
95.08610	8.4
97.06538	6.0
97.10176	5.8
98.21491	1.8
99.04459	9.4
105.07038	7.8
107.08601	35.0
109.06513	8.6
109.10162	17.5
111.08079	7.2
113.09644	1.6
119.08573	2.7
121.10149	100.0
123.08083	1.7
123.11736	8.8
125.09632	9.0
131.08562	2.3
133.10150	7.5
135.08031	2.1
135.11696	4.2
137.09688	1.3
147.11673	1.2
149.09613	1.8
149.13252	4.2
151.11185	32.2
153.09114	15.3
163.14835	19.8
167.14331	44.9
173.13286	4.9
178.08864	1.1
191.14336	11.6
209.04518	1.6
209.15375	42.4
209.17390	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.73800	1.3
53.03941	3.6
55.01875	3.1
55.05515	100.0
56.46587	1.4
57.03429	2.8
57.07077	2.1
58.85897	1.3
59.05006	10.1
60.04504	1.5
61.57109	1.3
67.05505	11.2
69.03427	8.7
69.07082	9.7
70.02356	1.3
70.06605	1.9
70.29294	2.8
70.29680	2.5
71.04987	6.4
79.05489	11.0
81.07058	17.5
82.06583	19.1
83.04498	2.6
83.04989	55.3
83.08624	65.3
84.08142	5.9
85.02905	1.8
85.06535	4.2
86.09691	2.8
89.06043	4.4
91.05491	9.3
93.07053	26.0
95.04975	38.5
95.08618	10.8
97.02830	1.2
97.06545	11.4
97.10188	7.5
98.97608	1.6
99.04461	9.2
99.08082	2.2
100.11265	70.8
103.05449	4.0
103.07563	4.9
105.07056	10.9
107.04955	2.5
107.07878	2.3
107.08601	35.3
109.06525	23.3
109.10164	22.9
110.06054	11.0
111.08085	9.9
113.09688	2.0
119.05013	1.8
119.08598	4.4
121.06470	4.6
121.10152	62.6
123.08069	5.9
123.11691	8.4
125.06004	1.9
125.09625	14.5
127.07782	1.5
127.08651	6.7
128.07088	1.5
131.04926	3.3
131.08563	7.3
133.10135	17.4
134.05984	1.9
135.08043	5.5
135.11699	5.3
139.08656	15.4
140.83817	1.7
145.10152	3.5
146.06004	1.4
147.04434	3.3
149.09628	7.6
149.13264	7.8
151.11194	47.6
153.09120	12.7
162.05496	5.1
163.07571	2.2
163.11191	4.2
163.14835	13.4
164.07137	1.5
167.07114	1.6
167.14331	67.8
167.96420	1.7
173.13263	8.6
177.05428	3.1
191.07068	2.0
191.10670	2.0
191.14314	15.7
209.04396	3.0
209.07742	1.8
209.09512	4.0
209.11478	1.5
209.15207	28.8
209.16580	39.6
209.91043	1.3
213.41571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03953	0.4
55.01859	0.4
55.05505	0.7
55.38738	0.5
57.07078	4.4
61.91257	0.4
67.05505	3.3
69.03439	0.9
69.07073	2.6
69.79678	2.1
71.04989	2.8
74.00536	0.4
79.05500	3.5
81.07060	4.3
83.04994	1.0
83.08634	1.0
85.06544	1.5
91.05466	2.2
93.07048	2.8
95.04980	3.1
95.08615	4.9
97.06513	1.0
98.21471	0.5
105.07032	3.5
107.08604	5.2
109.06520	100.0
109.10154	11.3
111.08077	1.3
117.07037	1.0
119.08577	0.9
121.06498	0.6
121.10150	3.4
123.08078	9.2
125.09676	0.5
129.07034	0.5
130.16811	0.4
131.08572	5.3
133.10120	3.0
135.08057	25.9
137.09615	0.7
139.11137	0.4
145.10123	1.6
147.08040	0.9
147.11702	1.2
149.09634	2.9
149.13255	1.5
149.71902	0.4
150.10422	1.6
151.11162	2.1
153.09099	4.1
158.10918	0.9
161.09596	0.5
163.14850	0.8
173.13278	7.2
176.11887	0.6
191.14307	25.5
209.15376	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.25158	0.8
55.01846	1.1
55.05515	4.9
57.07078	6.4
65.03957	0.8
67.05510	7.8
69.03085	1.4
69.03430	17.7
69.07076	4.3
71.38026	1.3
78.23666	0.8
79.05503	5.5
79.08121	0.9
81.07056	10.5
83.04990	15.4
83.08618	1.6
85.06535	7.0
91.05456	4.0
93.07047	7.5
95.04969	1.4
95.08604	10.6
97.06516	2.7
105.07019	5.9
107.08595	23.3
109.06525	14.4
109.10129	3.1
111.08080	9.1
117.07053	0.7
119.08607	4.5
121.06522	2.6
121.10147	12.2
123.08091	4.3
123.11725	5.8
125.09637	61.2
131.08566	7.4
133.10123	8.4
135.08069	20.5
135.11673	6.8
136.08821	1.2
137.09639	1.0
143.08543	1.7
144.09402	0.9
145.10147	4.4
147.11714	5.2
149.09633	13.5
149.13266	7.8
150.10382	1.8
151.11189	2.7
153.09113	15.7
155.68132	0.9
158.10876	4.2
161.09624	1.9
163.11176	4.6
163.14825	7.4
165.12769	9.9
173.13275	25.7
176.11967	2.3
191.14316	100.0
192.14580	1.4
209.15372	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.36410	1.6
53.03944	4.9
55.00497	1.8
55.01865	4.7
55.05515	99.3
57.03431	4.4
57.07064	3.1
59.04985	5.7
65.03931	1.8
67.05506	15.1
69.03441	9.8
69.07088	8.7
69.96922	8.0
71.04984	7.0
74.88373	1.7
79.05497	10.4
81.03425	2.1
81.07063	22.1
83.04987	77.4
83.08622	63.4
85.06546	5.7
91.05489	9.5
93.07044	15.9
95.04972	42.8
95.08612	14.7
97.06532	13.2
97.10169	10.0
98.21511	2.0
99.04459	8.7
99.08113	3.3
105.07021	12.3
106.04211	2.5
107.04908	3.3
107.08605	32.4
109.06526	27.2
109.10168	44.9
109.20168	1.5
111.04467	2.8
111.08085	16.2
113.09659	3.4
117.06992	4.4
119.08566	5.0
121.06489	4.5
121.10153	21.9
123.08073	6.1
123.11715	18.1
125.09644	17.8
131.04857	2.7
131.08577	10.5
133.10136	19.7
134.01245	2.3
135.08044	6.5
135.11691	3.8
137.09648	4.8
139.11113	2.0
145.10139	5.9
147.11697	3.1
149.02455	3.3
149.06001	4.1
149.09616	6.2
149.13283	12.2
151.11194	71.5
153.09142	16.0
158.10971	2.3
163.11165	4.6
167.14328	100.0
173.13274	14.8
187.06375	1.7
191.14320	16.0
193.05008	3.2
209.04559	1.8
209.11349	2.4
209.15379	64.5
209.17400	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05498	2.8
55.91129	0.9
57.07076	1.2
59.34289	0.8
67.05499	3.5
69.03436	6.6
69.07059	3.9
69.96877	3.0
69.97295	2.0
79.05499	5.7
81.07064	14.6
83.04974	0.9
83.08614	1.7
91.05478	7.3
93.07047	4.8
95.08609	4.2
97.06486	1.2
105.07024	10.0
107.04966	1.6
107.07877	1.8
107.08594	27.4
109.06526	12.9
109.10164	9.7
115.05427	2.5
117.07014	5.8
119.08598	3.6
121.09337	1.3
121.10152	17.8
122.07290	6.8
123.08073	2.4
131.08542	3.2
133.10133	100.0
135.08055	22.9
137.09621	76.9
147.11668	1.8
149.13252	16.2
151.11133	2.9
158.10896	1.2
163.14809	1.4
173.13275	5.3
191.14262	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	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03950	1.3
53.64046	0.4
55.01877	0.8
55.05515	2.8
57.07072	1.9
59.04995	1.3
67.05509	4.0
69.03435	11.0
69.07077	4.3
69.19405	0.8
69.19806	4.5
71.04995	1.5
79.05508	3.4
81.03427	9.4
81.07063	8.6
82.94829	0.5
83.04987	4.9
83.08630	0.7
91.05469	3.7
93.07059	4.9
95.04974	7.9
95.08614	8.6
97.06535	1.8
98.21635	0.9
99.04469	0.5
99.08083	1.1
103.05470	0.9
105.07022	5.5
106.04192	0.7
107.08595	10.9
109.06528	14.4
109.10174	3.3
110.07326	0.7
111.08057	1.5
115.83035	0.5
117.96024	1.1
119.08599	5.4
121.06512	2.1
121.10159	15.5
121.11036	0.8
123.08085	11.3
123.11723	7.7
125.09638	0.7
131.04958	1.0
131.08597	2.1
133.10124	1.6
135.08070	3.0
135.11691	2.4
137.09615	3.1
137.13245	1.9
145.10133	2.1
147.11713	3.5
149.05968	1.6
149.09627	11.7
149.13266	6.9
151.11188	5.9
153.09103	2.5
163.14870	1.1
165.12764	100.0
167.14317	0.7
173.13248	2.5
191.14336	3.3
209.15379	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03927	4.4
55.01880	7.7
55.05514	38.5
56.96564	1.8
57.03420	4.4
57.07062	5.1
57.21943	1.3
59.04987	4.0
65.03936	3.1
67.05507	23.6
69.03430	7.2
69.07072	15.2
70.06596	1.5
70.35820	4.8
71.04992	20.8
72.04532	2.3
75.04462	1.4
76.68134	1.2
77.03899	1.4
78.04696	1.6
79.05495	35.5
81.03391	5.8
81.07058	24.0
81.93738	1.3
82.63213	1.1
82.94838	2.5
83.04985	58.4
83.08170	1.3
83.08621	20.9
84.08118	2.2
85.02905	1.7
85.06532	5.9
86.09678	1.6
91.05484	23.3
92.05795	1.8
93.03397	2.0
93.07047	45.8
95.04973	100.0
95.08614	18.3
97.06551	12.5
97.10167	4.7
98.21403	1.7
98.97579	1.9
99.04459	22.9
99.08083	4.0
102.24018	1.2
103.05460	7.0
105.03373	3.2
105.04506	1.8
105.06409	2.0
105.07039	22.2
106.04153	5.3
107.04955	12.8
107.08601	58.8
109.02886	4.5
109.06526	25.5
109.10152	19.3
111.04433	5.8
111.08096	10.0
113.05987	1.8
113.09651	1.6
115.05441	1.8
117.07030	11.1
117.95963	2.0
119.04940	1.4
119.07819	1.6
119.08591	17.1
121.02837	1.8
121.06515	25.7
121.10155	65.9
121.37012	1.3
123.04430	3.4
123.08076	9.0
123.11721	7.0
123.97450	3.2
125.06007	7.5
125.09640	10.9
127.03922	1.7
129.07018	3.2
130.07813	2.3
131.04916	6.8
131.08569	51.9
133.10147	15.4
135.04388	2.2
135.08061	15.1
135.11697	10.5
137.05966	2.1
137.09592	4.0
139.07536	3.2
139.11195	2.4
144.77713	1.3
145.06439	2.9
145.10135	28.1
147.04398	2.4
147.08051	4.2
147.11690	5.6
148.05144	3.2
149.06004	10.6
149.09621	51.2
149.13266	13.7
151.07550	3.4
151.11185	23.3
153.05548	6.5
153.07077	1.6
153.09108	28.5
155.08528	3.5
158.10956	2.2
161.09605	1.4
163.07541	5.4
163.11200	23.6
163.13654	1.5
163.14842	11.5
165.07001	6.5
165.09122	8.5
165.12811	1.9
166.07790	7.6
167.07047	3.8
167.10693	8.1
167.14320	23.8
167.96365	2.3
173.09650	6.9
173.13255	12.9
177.05424	5.4
178.06139	1.6
181.08620	2.9
181.10104	7.8
185.97401	2.0
191.07022	2.9
191.08858	1.5
191.10672	28.2
191.14322	23.3
209.04456	5.0
209.08125	7.7
209.09677	13.1
209.11739	35.9
209.15358	57.6
212.91629	1.2
228.53853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03932	3.7
55.01866	2.5
55.05514	89.6
56.05825	1.4
57.03424	2.5
57.07074	3.5
59.05001	3.5
67.05508	13.3
69.03419	7.5
69.07067	8.4
70.66248	4.3
71.04980	4.0
71.93078	1.4
79.05487	7.0
81.07064	21.8
83.04982	85.5
83.08619	51.1
85.06533	6.2
86.94762	1.2
91.05496	6.8
93.07040	15.3
95.04971	19.9
95.08615	16.2
96.08915	2.9
97.06539	17.5
97.09270	2.1
97.10158	9.1
99.04453	5.0
99.08108	2.7
103.05489	1.7
105.03511	1.3
105.07040	10.7
107.08588	30.8
109.06519	34.7
109.09467	1.1
109.10155	33.8
111.08086	14.6
113.09618	1.8
119.08566	4.9
121.06505	3.7
121.10151	18.8
123.08092	4.4
123.11724	15.1
125.05997	1.5
125.08778	1.0
125.09631	28.4
131.04926	1.7
131.08559	7.9
133.10139	18.3
133.88498	1.3
135.08052	6.2
145.10101	4.5
147.11682	2.5
149.06001	2.3
149.09642	11.2
149.13239	12.1
151.09990	3.2
151.11189	65.6
153.09106	13.1
163.11237	1.4
163.14920	2.2
167.14317	100.0
173.13297	8.5
177.05476	2.4
191.10651	2.3
191.14346	14.9
209.04521	2.3
209.11864	2.0
209.15384	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03927	2.3
55.01868	2.1
55.05515	52.8
57.03426	1.3
57.07076	1.8
59.04992	2.5
61.17168	0.9
65.22939	0.8
67.05502	8.3
68.00271	1.1
69.03431	4.9
69.07070	5.2
71.04993	9.2
71.24953	1.7
79.05499	4.7
81.07053	11.6
83.04989	49.6
83.08624	28.2
85.06547	4.5
91.05495	4.3
93.07044	11.7
95.04974	100.0
95.08611	5.5
97.06538	5.3
97.10196	6.5
99.04463	21.0
99.08076	1.6
103.05466	1.1
105.07021	2.4
107.04956	1.3
107.08601	16.9
109.06515	7.9
109.10169	17.0
111.08094	9.8
113.09655	1.1
115.60573	0.9
115.68169	1.0
117.06963	1.6
119.08566	2.5
121.05154	1.1
121.06512	2.8
121.10159	13.4
123.08054	1.9
123.11704	7.9
125.09653	9.4
127.07531	1.2
131.04909	1.1
131.08551	3.0
133.10155	11.5
135.08093	3.6
135.11681	1.5
144.31259	1.0
145.10080	2.6
147.11659	1.8
149.05983	2.0
149.09612	3.9
149.13260	6.6
151.11195	34.3
153.09120	29.8
163.07509	1.5
163.11194	2.3
163.14842	1.5
167.14328	53.3
173.13281	7.2
191.10684	2.6
191.14310	9.0
209.04407	1.7
209.11736	3.1
209.15375	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02374	2.9
53.03949	46.4
54.20985	1.2
55.01641	2.2
55.01876	32.6
55.05278	1.4
55.05514	20.3
56.96560	2.1
57.03446	7.2
57.07058	4.8
59.04997	2.7
65.03926	5.9
66.39279	1.3
67.05508	89.6
69.03426	12.4
69.06740	1.4
69.07072	19.2
69.41408	8.6
71.01331	2.0
71.05003	15.1
77.03907	2.2
79.05496	73.6
81.03423	100.0
81.07058	77.0
82.94816	1.6
83.04983	43.0
83.08617	10.9
85.02898	3.9
85.06553	13.6
87.04429	1.7
91.05483	53.0
93.03365	4.1
93.07049	65.5
95.04379	2.3
95.04970	40.8
95.08080	1.8
95.08617	26.9
97.02885	2.6
97.06530	19.8
97.10156	2.0
98.97565	1.8
99.04459	11.5
99.08087	3.5
103.05482	11.4
105.03376	3.5
105.04523	2.0
105.07037	22.3
106.04147	6.3
107.04960	57.6
107.07882	2.7
107.08598	51.6
109.02868	4.0
109.05806	2.3
109.06522	40.9
109.10152	21.1
111.04446	24.0
111.08086	13.3
113.05970	2.0
113.09648	1.6
115.05437	5.3
115.07578	1.9
116.06219	2.1
117.07028	30.5
117.95975	5.6
119.08583	23.5
121.06519	20.5
121.10152	62.6
123.04427	4.6
123.08047	10.2
123.11702	6.3
123.97382	1.4
125.06009	8.7
125.09637	16.2
127.03892	1.4
128.06178	2.1
129.06993	9.7
130.07785	5.3
131.04965	12.5
131.08571	29.2
132.05640	2.1
133.06517	1.7
133.10150	17.0
134.03629	1.7
135.08067	21.9
135.10709	2.5
135.11696	38.9
137.06006	2.7
137.09641	8.4
139.07504	3.2
143.08565	4.0
144.05682	1.4
145.06491	17.1
145.10130	52.6
147.08047	4.8
147.11717	7.2
149.05969	13.2
149.09616	40.6
149.13237	11.4
151.11237	8.7
153.05467	1.5
153.06969	3.7
153.09082	12.1
153.12755	11.6
155.08568	25.5
158.07257	2.1
158.10901	2.8
162.95889	2.0
163.07535	2.1
163.11194	41.8
163.14813	9.1
165.12737	5.5
167.10658	2.0
167.14284	6.4
167.96434	2.1
173.09631	36.8
173.13263	20.0
177.05476	6.6
181.08614	2.4
181.12206	6.9
185.97472	3.1
191.07030	2.9
191.10672	23.0
191.14314	45.5
209.04407	3.1
209.08032	4.4
209.09741	3.3
209.11729	15.3
209.13480	3.1
209.15350	45.6
210.44548	1.4
226.41385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03957	2.0
55.01887	1.0
55.05515	11.4
55.88620	0.7
59.05011	1.9
60.09063	0.7
65.06525	0.7
67.05515	2.5
69.03433	27.4
69.50742	5.0
77.03905	0.7
79.05495	4.8
81.07045	3.6
83.04987	2.8
85.02921	1.1
91.05489	10.9
93.07053	5.2
95.04956	1.9
95.08628	6.0
103.05476	2.2
105.07042	11.5
107.04988	3.8
107.08615	8.2
108.05754	1.1
109.06525	9.6
109.10172	1.1
115.96432	1.3
117.07049	2.1
119.04942	2.9
119.08591	10.1
121.06513	58.7
121.10159	6.1
122.72781	0.8
123.08074	18.8
123.11749	1.3
128.06256	1.0
128.95131	0.8
129.06999	1.8
130.07799	1.9
131.08595	1.8
133.05486	1.5
133.06502	32.0
133.10149	2.5
135.08066	7.8
135.11711	2.6
137.09631	2.8
137.13260	1.4
143.08568	1.5
145.10143	1.9
147.04446	1.7
147.08063	3.3
147.11696	4.2
149.09650	7.8
151.07590	4.4
156.09419	1.3
159.08058	1.1
159.36923	0.7
160.08818	0.9
161.06023	1.4
161.09616	2.2
161.13263	4.3
162.98802	0.8
163.11195	100.0
164.11493	0.9
165.12778	2.4
171.11656	1.6
172.51143	0.7
174.06750	1.0
174.10381	2.0
175.03897	1.5
189.09175	1.7
189.12773	9.7
207.06477	3.5
207.13817	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.84908	0.9
53.03938	2.7
55.01866	2.5
55.05516	6.4
57.03420	1.5
57.07060	4.2
58.21320	1.1
59.04995	3.0
67.05518	9.5
69.03085	1.3
69.03429	12.6
69.07068	5.8
70.94878	2.6
71.05007	5.7
79.05489	11.6
80.94975	1.7
81.03407	2.4
81.07059	23.8
83.04993	8.1
83.08617	3.3
84.60987	1.0
85.02890	4.3
85.06560	5.0
87.82371	0.9
91.05482	25.6
93.07050	17.4
95.04978	16.3
95.08607	27.5
97.02884	1.9
97.06523	3.3
103.05453	2.7
105.07036	39.2
107.04958	3.2
107.08601	60.1
107.15531	1.0
108.05727	1.5
109.06520	28.2
109.07268	1.7
109.10163	6.2
111.08076	2.7
113.57520	1.1
115.96443	5.4
117.07005	1.4
119.04378	0.9
119.04962	8.5
119.08585	35.9
120.08121	1.1
121.06516	12.1
121.09339	1.9
121.10160	25.7
121.97577	1.8
122.07276	3.6
123.04446	1.8
123.08073	37.7
123.11696	7.9
125.05997	4.1
125.09619	3.5
129.06993	3.8
131.08578	19.7
132.09364	1.3
133.06516	7.9
133.07413	1.7
133.10132	9.4
133.97490	2.1
135.08051	4.7
135.11691	2.4
136.05188	1.6
137.05965	4.4
137.09633	8.9
137.13266	2.1
143.08559	5.6
143.11118	1.0
145.10129	8.3
146.03578	1.3
146.84668	1.1
147.04439	8.0
147.08054	7.8
147.10512	1.8
147.11691	36.9
149.02316	3.1
149.09628	77.6
151.07552	100.0
153.09096	2.0
156.09358	8.5
159.08099	3.2
159.11639	2.3
161.05948	2.4
161.09627	7.2
161.13249	15.0
163.11195	6.8
164.04713	3.4
165.05513	1.1
165.09113	6.7
165.12769	24.7
165.96550	1.6
171.11688	12.3
174.03125	1.2
174.10371	3.0
175.03900	4.9
177.12810	1.4
179.07098	5.0
179.08426	1.1
179.14346	4.2
183.97649	2.8
184.00117	1.1
189.09163	3.0
189.12744	39.3
192.04254	2.0
207.06523	14.3
207.09981	3.2
207.13808	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	3.3
55.01847	2.9
55.05518	7.7
56.96560	1.7
57.03434	2.3
57.07064	2.9
59.04980	1.0
63.03016	0.8
65.03919	2.7
67.05506	13.7
69.03091	1.2
69.03430	13.6
69.07064	13.6
70.11231	4.0
70.11594	0.9
70.87899	1.0
71.04987	9.4
79.05502	11.6
80.94964	1.6
81.03413	2.5
81.06660	1.3
81.07066	14.6
83.04995	6.5
83.08629	4.8
84.94579	1.0
85.02435	1.4
85.02910	20.1
85.06087	1.2
85.06544	18.7
91.05486	27.3
92.85989	0.8
93.06501	1.4
93.07047	18.2
95.04971	19.3
95.08066	1.8
95.08611	18.9
97.02858	3.1
97.06534	19.1
99.04462	3.4
99.08054	1.0
101.33189	0.9
103.05449	2.4
105.04527	0.9
105.07035	28.0
107.04955	3.2
107.08600	29.0
108.05743	1.3
109.02899	5.9
109.06522	100.0
109.10158	9.3
111.04449	2.0
111.08087	67.9
113.05977	3.4
115.96442	24.8
116.06207	1.2
116.97249	8.0
117.07009	3.2
118.04140	1.0
119.04944	15.2
119.08588	34.5
120.09384	1.2
121.06504	4.3
121.09346	1.4
121.10155	24.2
121.97530	1.8
122.07255	2.6
123.04427	3.2
123.07221	1.6
123.08076	30.1
123.11716	15.3
124.93885	1.2
125.05962	1.7
125.09612	1.3
128.06183	1.8
129.06996	3.8
129.91374	0.9
131.08597	7.5
132.02087	1.5
133.06528	6.8
133.10139	18.5
133.97467	11.0
135.08055	7.0
135.11678	2.3
136.05197	2.5
137.06026	5.6
137.09628	18.7
137.13245	4.6
139.07521	1.2
141.07011	1.3
142.07910	1.1
142.94955	1.4
143.08549	4.4
145.06448	1.6
145.10124	5.7
146.03680	1.3
146.10895	1.2
147.04401	9.9
147.08055	10.2
147.11702	45.3
149.02312	4.2
149.06018	1.1
149.09628	35.3
149.13306	1.2
150.02541	1.0
151.07547	31.5
151.11131	1.2
156.09357	12.9
156.99062	2.1
159.08067	5.0
160.08778	1.3
160.95998	1.2
161.05945	1.5
161.09642	15.5
161.13254	19.7
163.03903	1.4
163.07394	1.2
163.11160	8.1
164.04697	7.0
164.08281	5.5
164.11983	1.9
165.09100	7.1
165.12759	31.2
165.96558	2.9
171.11691	21.2
174.03146	2.8
174.10402	10.4
175.03879	9.2
175.07562	1.1
175.11128	1.0
177.09106	2.7
179.07004	4.1
179.10648	2.8
179.14275	2.6
183.97578	3.7
184.00146	3.9
189.05455	1.2
189.09108	3.2
189.12744	45.9
189.16393	1.6
192.04137	4.1
192.11523	2.1
207.06540	20.3
207.10027	3.5
207.11984	3.9
207.13791	88.3
207.17389	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.34145	0.7
53.03955	1.5
55.05513	11.9
55.05762	1.0
59.05005	1.4
65.03941	0.6
67.05511	1.8
69.03433	26.6
69.07077	0.7
70.78404	1.3
71.04996	9.7
79.01854	0.8
79.05494	4.8
81.07046	3.2
83.04990	2.2
85.02900	1.2
91.05486	10.7
93.07038	6.2
95.04963	3.3
95.08607	5.7
97.06551	0.7
103.05491	2.7
105.04526	0.7
105.07034	11.0
107.04967	3.9
107.08585	7.0
108.05749	1.5
109.06526	8.5
109.10165	1.5
111.08099	1.0
115.05463	1.1
115.96437	4.2
117.07039	2.1
119.04981	3.4
119.05774	0.6
119.08580	9.0
120.09392	0.6
121.06509	61.6
121.10146	4.8
122.07276	1.4
123.04422	1.2
123.08066	18.7
123.11734	1.1
124.93890	0.5
125.09592	0.7
129.07005	1.0
130.07782	1.5
131.08589	1.3
133.06499	33.2
133.10138	2.4
133.97472	1.3
134.71265	0.6
135.08052	8.6
135.11725	2.9
136.05176	0.9
137.05998	0.9
137.09627	14.8
143.08638	0.7
145.10135	3.4
147.04425	2.3
147.08099	2.5
147.11653	4.1
148.08853	1.1
149.02335	0.9
149.09615	7.8
151.07541	4.2
156.09296	1.1
159.08060	1.1
161.09575	0.8
161.13281	2.2
163.11186	100.0
164.04678	1.6
164.11594	0.7
165.12810	3.1
166.50890	0.5
171.11749	1.0
174.03104	0.8
174.10439	2.0
175.03911	1.7
179.06935	0.8
184.00229	0.9
189.12764	8.2
192.04262	1.1
207.06569	4.7
207.13806	45.0
208.14160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.8
55.01853	1.9
55.05518	8.6
57.03422	2.4
59.05015	8.2
63.11261	1.8
65.03922	1.6
67.05515	10.2
69.03429	9.6
69.07056	5.9
70.86948	3.7
71.04977	5.2
79.05498	9.1
81.07066	14.5
83.04970	5.8
85.02852	2.2
85.06548	2.6
91.05483	15.4
93.07047	17.7
95.04953	5.1
95.08611	20.0
97.06536	3.8
105.07038	36.3
107.04951	4.7
107.08603	28.7
109.05815	1.8
109.06535	22.9
109.10179	12.5
111.08051	3.5
117.07018	2.7
119.04935	3.9
119.08588	43.4
121.06522	9.2
121.08451	3.4
121.10164	18.0
122.07265	2.0
123.08078	44.2
123.11706	5.2
125.09631	3.1
128.06223	2.0
129.06953	1.9
131.08568	5.4
133.06494	7.8
133.10130	13.0
135.08063	19.8
135.11699	7.5
137.09625	58.5
137.13229	3.4
139.07559	4.4
143.08546	2.8
145.10083	5.8
147.04424	1.8
147.08069	10.4
147.11705	37.9
149.09631	100.0
151.07600	8.5
153.09122	7.7
156.09338	6.5
159.08078	2.1
159.11710	3.1
161.09616	5.3
161.13263	32.7
163.11229	12.0
165.09131	1.8
165.12778	6.9
171.11713	11.0
174.10368	4.3
175.03992	1.8
177.12724	3.2
179.14328	3.6
189.12753	42.2
207.13815	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.80379	1.3
55.01854	1.4
55.05516	6.0
57.07071	5.2
57.91734	1.4
67.05507	28.1
69.03422	3.0
69.07079	2.6
70.90615	1.7
70.90945	2.3
71.05003	1.4
74.46994	1.2
79.05496	3.6
81.07049	5.0
83.04964	3.4
85.06556	11.5
91.05483	8.2
93.07060	12.3
93.63062	1.4
94.84641	1.3
95.04971	3.1
95.08614	100.0
97.06557	1.6
104.06033	1.2
105.07028	13.2
107.08608	17.2
109.06553	4.7
109.10197	2.6
111.08112	1.8
113.05986	6.6
116.77473	1.3
119.08588	21.1
120.09340	1.4
121.06526	3.2
121.10146	15.3
123.07201	3.0
123.08076	46.6
123.08971	2.2
123.11725	5.3
125.09705	2.1
125.10632	1.2
131.08594	4.2
133.06430	1.9
133.10139	4.4
135.11710	6.8
137.09642	3.8
141.15546	1.5
142.09743	1.5
147.08093	4.9
147.11716	13.5
149.09628	50.3
151.07584	1.7
151.14890	3.4
156.09326	3.3
161.09586	2.0
161.13280	13.2
163.11211	2.7
165.12750	11.8
171.11728	3.6
174.10365	1.8
179.14359	1.8
189.12723	16.7
207.13826	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02387	0.7
53.03951	7.2
55.01890	1.4
55.05508	6.6
59.04992	0.7
65.03953	1.4
67.05509	27.5
69.03463	0.7
69.07069	7.3
71.04994	2.1
73.06571	1.6
77.03934	1.5
79.05495	43.9
81.03416	1.8
81.06587	1.4
81.07060	20.1
83.04993	2.6
83.08611	3.2
85.06544	2.5
88.76123	0.6
91.05485	46.9
93.07048	100.0
95.04972	14.1
95.08612	10.0
97.06514	4.0
97.10172	1.3
98.21564	0.8
99.08067	0.7
103.05415	0.7
105.04527	3.6
105.07034	24.8
107.04970	0.9
107.08593	13.3
109.06509	6.2
109.10161	0.9
111.08107	1.2
115.05488	0.7
115.96442	4.3
117.07034	4.7
117.33656	0.6
119.08587	14.0
121.06503	2.0
121.10177	3.5
123.08067	6.3
124.11233	0.8
127.07549	1.4
128.06207	0.6
129.07016	10.7
129.43047	0.7
131.08548	1.5
133.06503	1.1
133.10150	5.9
133.97498	1.0
135.08017	0.7
135.11688	1.0
137.05951	0.8
137.09624	1.7
143.08578	5.6
145.10127	7.7
147.08064	2.9
147.11693	50.6
149.09668	1.3
151.07578	1.4
161.09586	4.1
161.13261	13.2
163.11172	0.9
165.09100	1.1
165.12723	1.8
171.11693	20.1
179.14311	1.1
184.00070	0.7
189.12744	16.8
192.09308	1.1
207.11740	2.8
207.13788	30.4
207.18665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.55397	0.8
53.03947	7.4
55.05296	0.9
55.05519	7.8
57.03426	1.1
57.07078	0.8
59.04999	0.8
67.05509	31.8
69.07065	5.8
70.49815	2.1
71.04984	2.3
72.28893	0.8
73.06570	0.9
77.03922	2.3
77.48732	0.7
79.05500	44.5
80.62553	0.8
81.03410	2.2
81.07065	20.8
83.04990	2.5
83.08624	4.1
85.02887	1.3
85.06540	2.1
91.05488	41.6
93.07052	100.0
95.04979	10.5
95.08619	8.6
97.06523	2.4
97.10174	2.3
105.04494	3.4
105.07038	28.1
107.08606	12.5
107.35034	0.9
109.06499	4.1
109.10183	1.8
115.05482	0.9
115.96438	1.7
117.07013	6.0
119.07803	1.4
119.08591	15.2
121.06501	1.9
121.10177	2.3
123.08076	4.5
127.07529	1.4
128.06216	1.1
129.07024	9.7
131.08562	1.2
133.10146	5.6
135.08090	0.8
135.11688	0.8
143.08531	4.8
145.10144	8.0
147.08067	2.1
147.11697	50.2
148.11984	0.7
156.09389	1.3
159.11649	0.9
161.09592	4.9
161.13254	8.1
165.12758	1.2
171.11699	25.6
189.12761	10.9
207.13818	35.2
218.52530	0.7
220.79372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.0
55.01856	3.5
55.05515	6.7
57.03428	3.3
57.07067	4.1
59.04987	4.2
63.28708	1.2
65.01420	1.2
65.03932	3.3
67.05511	14.3
69.03443	8.1
69.07057	5.5
70.61849	1.3
70.91103	4.3
71.04993	7.8
79.05501	14.2
79.31259	1.4
81.03411	5.0
81.07051	14.2
83.04976	7.7
85.02915	7.3
85.06534	6.0
88.10307	1.3
91.04987	2.0
91.05492	24.5
93.07053	18.7
95.04963	8.3
95.08609	39.4
97.06522	4.0
98.97576	1.4
99.04434	2.5
99.08067	1.7
103.05470	3.4
105.07033	35.7
107.04922	4.7
107.08588	29.4
108.05750	1.9
109.06521	21.9
109.10139	5.9
111.04415	2.5
111.08100	1.6
113.06006	2.4
114.30521	1.5
115.05476	1.4
115.96442	5.2
117.07001	5.8
118.04174	2.4
119.04960	12.4
119.08585	39.2
121.06523	7.8
121.10139	18.2
121.97507	1.7
123.04410	2.1
123.07214	2.6
123.08072	36.6
123.11696	6.5
125.09621	2.4
127.07475	1.8
128.06198	4.4
129.07001	6.4
131.05019	1.7
131.08571	9.4
133.06496	10.7
133.10143	12.0
133.97420	1.7
135.08041	6.3
135.11696	6.1
137.09619	19.9
143.08572	6.0
145.06528	3.2
145.10136	7.5
146.03584	1.5
146.07283	3.1
147.04437	11.3
147.06340	3.6
147.08057	14.3
147.11685	23.3
149.09625	100.0
151.07564	12.6
151.14874	1.5
153.09122	1.8
156.09328	6.5
159.08110	2.6
159.11708	2.6
161.06009	29.8
161.09619	17.3
161.13255	32.5
163.11198	15.3
164.04735	3.0
165.09082	3.7
165.12788	11.7
171.11726	11.9
174.03180	1.5
174.06792	2.3
174.10435	3.5
175.03888	10.0
175.07014	3.3
177.12738	1.8
179.07030	7.3
179.14383	3.3
183.97606	1.9
189.05434	5.2
189.09094	16.4
189.12749	47.3
192.04134	2.8
203.32729	1.5
207.06520	25.3
207.09949	5.4
207.13802	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	10.0
55.01869	6.7
55.05511	9.6
57.03441	4.9
59.04998	6.3
61.02925	2.6
65.03947	1.8
67.05501	4.6
69.03432	26.1
69.07082	11.5
71.04985	8.8
71.51255	3.4
73.02915	3.7
75.04510	3.5
79.05503	3.9
81.03426	100.0
81.07048	2.3
83.01341	3.6
83.04985	22.0
85.02918	9.0
85.06536	3.1
87.04476	18.2
91.05491	2.5
93.03413	8.8
93.07054	2.2
94.04201	2.8
95.01350	9.6
95.04964	4.2
95.08604	3.7
97.02901	16.2
97.06555	2.0
99.04453	2.9
100.07662	1.9
101.02370	4.8
101.06015	3.5
105.07021	3.2
107.04958	2.2
107.08670	2.3
109.02892	3.9
109.06514	4.7
111.00797	2.0
111.04449	24.7
115.03931	6.7
119.08603	3.8
121.02849	3.6
123.08086	3.4
124.11233	4.2
125.02365	3.6
125.05987	3.0
127.03931	27.5
129.00204	2.0
129.05487	18.0
129.07031	2.6
129.11028	1.8
138.96547	1.9
139.00314	2.2
139.03935	4.0
141.05455	3.5
143.03410	5.5
147.04436	2.2
147.11659	5.2
153.05504	5.6
157.04991	17.8
161.09679	2.8
161.13245	3.8
171.06541	3.6
175.11644	7.3
177.12799	2.1
189.09387	2.1
189.12730	3.3
207.11784	4.0
207.13776	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88417	1.2
53.03944	4.7
55.01633	2.0
55.01875	29.9
55.05506	12.4
57.03442	13.6
57.07064	2.9
58.06603	1.9
59.04983	4.0
60.32769	1.2
61.02909	1.6
61.55369	1.2
65.37453	1.4
65.92615	1.4
67.05504	12.7
68.99773	4.2
69.03436	6.1
69.07058	9.8
70.06586	3.1
71.01343	5.0
71.05002	10.1
71.51516	2.3
72.08150	5.7
73.02921	34.3
73.06554	2.1
75.04476	2.9
76.87963	1.1
77.03918	1.4
79.05502	9.6
79.56773	1.2
80.94945	2.9
81.03429	10.9
81.07055	17.1
83.01347	54.4
83.04982	8.9
83.08621	2.7
84.02104	6.1
84.08145	2.4
84.33631	1.2
85.02911	11.5
85.06535	3.3
87.00827	4.4
87.04472	7.9
89.02390	9.6
89.03910	1.6
91.05487	27.2
93.07052	14.1
95.01333	100.0
95.04955	6.2
95.08602	18.7
97.06533	4.8
98.97565	2.2
99.00818	1.4
99.04451	6.4
99.08079	6.2
101.02386	65.5
101.05994	3.4
103.05460	2.2
105.07039	19.3
107.04951	1.9
107.08589	14.9
109.02880	1.4
109.06514	8.3
109.10155	18.4
111.00809	26.8
111.08091	4.1
113.02394	1.6
113.06053	1.5
113.09647	2.3
115.03935	10.4
115.07544	2.8
115.96445	1.6
116.98666	1.3
117.06998	4.3
119.04963	13.0
119.08584	16.8
120.08097	2.1
121.02869	1.9
121.06477	3.5
121.10144	5.8
121.97562	3.5
123.04425	3.8
123.08076	11.1
123.11707	2.2
124.10383	2.2
124.11234	29.6
127.03925	12.1
127.11208	4.5
129.01852	23.5
129.06995	4.0
130.01085	1.3
131.08577	3.5
133.04967	3.7
133.06497	4.2
133.07515	1.6
133.10146	5.5
135.11673	3.8
136.05215	2.8
137.05998	3.6
137.09627	4.6
139.00284	2.4
142.95010	2.2
143.03412	28.9
143.08566	3.5
145.10104	3.6
146.03693	2.0
147.03113	2.2
147.04410	13.3
147.08046	8.9
147.11694	10.2
149.02357	5.7
149.09633	10.4
151.07535	7.1
151.11182	1.4
153.12761	4.6
156.09309	1.6
157.01385	1.9
159.08105	2.1
159.11639	1.5
160.96126	1.5
161.04405	1.7
161.05910	2.5
161.09628	5.0
161.13245	7.8
163.03883	1.7
163.11188	1.9
164.04689	5.0
165.05466	1.8
165.09085	1.7
165.12750	8.0
165.96579	4.2
171.02902	4.5
171.11710	4.0
171.13811	4.2
175.02559	1.8
175.03853	6.5
179.07019	5.8
179.08475	1.6
179.10582	1.5
179.14320	1.8
183.97568	3.8
189.03944	1.9
189.05405	1.4
189.09128	4.4
189.12790	8.1
190.12349	8.8
192.04172	4.5
192.14758	1.4
207.03009	2.1
207.04919	6.3
207.06543	23.1
207.08405	2.4
207.10115	5.3
207.11877	2.4
207.13742	34.2
207.18611	17.5
228.73340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0503
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
53.03948	2.9
55.01869	3.4
55.05502	2.5
57.03445	5.8
57.07063	1.5
60.31693	1.0
61.02926	1.4
65.03972	1.1
67.05505	3.8
68.99799	39.9
69.03438	6.1
69.07070	2.9
71.04978	1.6
71.51202	2.0
73.02911	1.8
76.70601	0.9
79.05505	4.9
81.03419	14.6
81.07072	5.5
83.01337	5.8
83.04978	4.3
85.02906	4.7
85.06538	1.7
87.00837	3.9
87.04483	1.4
91.05489	8.8
93.07056	6.1
95.01339	1.3
95.04990	2.8
95.08625	7.5
97.02876	1.6
97.06570	1.6
98.97567	1.9
98.98466	1.7
99.04462	2.0
100.75391	1.0
101.02389	40.7
102.22450	1.0
105.07043	10.3
107.05002	1.5
107.08623	6.2
109.02886	8.1
109.06538	4.1
109.10179	2.7
110.07211	1.4
110.26509	1.1
111.00815	55.2
111.08107	1.1
115.03944	9.1
116.98442	1.0
117.06979	1.5
119.03436	18.3
119.04922	2.5
119.08598	6.2
121.06446	1.4
121.10156	2.3
122.06037	1.4
123.08064	5.9
123.11719	2.6
124.07631	1.1
125.02346	4.1
127.03916	3.1
129.01855	47.7
129.07024	3.0
131.08595	1.9
133.06477	2.5
133.10115	2.6
135.04312	1.1
137.06006	1.5
137.09615	2.6
139.00279	100.0
143.03410	67.1
143.08566	1.8
145.10091	2.5
147.02916	4.2
147.04411	4.0
147.08116	2.4
147.11697	4.8
149.09630	3.8
151.07559	2.6
153.01866	6.5
157.01349	57.3
161.04561	2.2
161.05907	1.7
161.07172	1.6
161.09624	1.9
161.13240	6.1
163.11275	1.7
165.09113	1.7
165.12784	2.6
171.02914	32.6
171.11760	1.5
174.10374	1.1
175.02412	1.6
175.03801	1.2
179.08476	1.2
179.10701	1.2
189.03975	2.1
189.05501	2.3
189.09219	1.6
189.12727	5.4
207.03027	1.9
207.06367	6.5
207.11722	1.9
207.13728	16.0
207.17352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	Doryphornine
Peak:m/z	Relative Intensity
53.03947	0.5
54.03476	0.8
55.01871	0.5
55.05503	0.4
57.07099	0.5
59.99071	0.3
60.04526	0.3
65.03947	1.5
67.05505	19.2
68.05005	0.4
68.06284	0.4
69.03445	0.9
69.07065	1.0
69.64407	2.0
71.04990	0.3
72.04539	0.4
74.00677	0.4
79.05492	3.9
80.05032	1.0
81.03423	1.1
81.07051	2.8
82.02940	2.8
82.06590	0.6
84.04514	2.1
85.02929	0.5
88.02199	0.6
91.05486	1.5
93.05798	1.1
93.07063	1.0
94.06581	1.5
95.04968	14.6
95.08614	0.7
96.04494	4.1
96.05755	1.4
97.06548	0.7
98.03220	0.6
98.20815	0.8
105.03410	0.5
105.07027	2.8
106.06547	1.4
106.07291	0.3
107.04954	0.4
107.07337	3.9
107.08588	0.7
108.04507	0.8
108.08119	17.4
110.02471	0.5
110.03207	0.5
110.06041	5.4
116.05328	1.0
117.05744	0.9
118.06524	0.7
119.04911	0.5
119.08555	0.5
120.08127	0.8
121.06454	0.4
121.10109	0.3
122.06052	1.8
122.09665	6.1
123.04520	0.5
123.08052	0.4
124.05280	0.4
125.06003	0.7
132.08069	1.2
132.08940	0.4
133.06516	0.7
134.06009	0.9
135.06783	1.5
135.07950	0.3
146.06009	7.5
147.04430	0.8
147.06398	0.4
148.07532	0.8
149.02351	0.9
150.02698	2.0
150.09145	31.4
152.07002	0.6
160.07567	0.5
162.12764	0.4
163.06268	0.6
174.05476	0.4
175.03960	0.6
178.08630	100.0
188.07143	0.5
190.08531	0.4
191.05750	0.4
191.14481	1.7
206.04465	1.9
206.08121	84.9
206.11934	2.0
206.15363	6.5
207.08440	0.8
214.36958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13516	1.5
62.53447	1.6
70.06576	2.2
70.19757	6.7
78.38960	1.4
82.01379	1.8
82.99833	5.9
84.08130	6.7
101.00887	35.5
103.00632	1.6
112.18346	1.8
119.01926	45.3
120.02010	2.2
121.01662	3.1
122.02000	1.7
124.02439	12.3
137.02942	6.2
142.03510	100.0
160.04559	23.1
165.05176	4.4
171.24774	1.8
183.75948	1.8
184.04504	2.8
201.02473	3.1
206.10831	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	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
54.26184	0.2
55.56602	0.3
70.09451	0.4
70.09846	1.0
104.04985	0.6
132.04462	24.4
142.37692	0.3
148.11702	0.3
150.02634	0.5
160.03964	2.0
178.05005	100.0
179.05324	0.6
187.19673	0.3
188.03290	0.3
191.14316	0.3
192.96628	0.3
206.04500	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03939	0.4
54.27935	0.3
55.01865	0.4
55.05516	3.0
55.64338	0.2
57.03426	0.3
57.07081	8.4
59.04991	0.3
60.04513	0.6
61.04877	0.3
62.57642	0.3
65.03946	4.0
67.05511	2.4
69.07080	4.8
71.08638	0.5
73.28505	0.3
76.17699	0.2
79.05499	3.2
81.03434	0.4
81.07061	10.8
83.08627	3.1
85.02919	0.5
85.06563	0.6
91.05456	1.9
93.03398	1.1
93.07049	11.3
95.02462	0.3
95.05003	0.4
95.08615	7.4
97.02903	1.3
97.10166	1.1
99.04459	0.7
105.07018	2.4
107.08607	11.0
109.02879	1.2
109.06518	0.8
109.10164	7.6
111.04456	0.5
111.11720	0.8
114.28085	0.3
119.08561	0.9
121.02873	9.5
121.03981	2.5
121.06484	0.7
121.10152	20.8
123.08060	0.4
123.11713	7.2
127.03934	0.6
127.05907	0.5
130.07808	0.2
131.08583	2.1
133.10146	1.0
135.07132	0.3
135.08086	1.4
135.11703	7.5
145.10110	1.4
146.18703	0.2
147.11623	0.5
149.02354	100.0
149.09636	0.9
149.13275	14.9
150.02695	0.6
159.11737	0.9
161.13307	0.4
163.11206	0.6
163.14803	1.4
167.03423	1.0
173.13341	0.6
175.14819	0.4
177.12773	0.5
177.16388	0.5
181.97836	0.3
187.14812	0.5
190.05006	1.4
205.08827	0.4
205.12326	0.8
205.14230	0.6
205.15948	2.5
205.19521	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
50.01609	0.2
50.57143	0.2
51.02384	0.2
55.01873	0.8
55.05513	2.7
57.03442	0.3
57.07080	18.0
59.04995	0.8
60.04515	0.5
65.03938	4.1
67.05511	4.0
69.03436	2.2
69.07070	7.0
71.04991	0.9
79.05492	3.8
80.02663	0.4
81.03417	0.5
81.07066	5.0
83.04996	0.6
83.08623	2.1
85.02895	0.3
85.06538	0.8
91.05478	4.2
93.03423	1.5
93.07050	5.8
95.04974	0.9
95.08612	14.9
97.02898	1.6
97.06528	1.7
97.10191	0.4
98.03205	0.2
98.21607	0.4
99.04506	0.3
99.08100	0.3
105.07040	5.8
106.89912	0.2
107.04991	0.5
107.08603	11.4
109.02869	1.1
109.06519	3.4
109.10162	7.2
110.10597	0.2
111.04442	0.9
111.08076	1.7
116.06262	0.3
117.07025	1.1
119.06049	0.2
119.08591	3.6
121.02876	10.9
121.03979	2.5
121.06502	2.6
121.10149	14.6
122.10957	0.5
123.08072	3.9
123.11706	3.6
126.36834	0.2
127.03941	0.4
127.05903	0.3
128.06197	0.2
129.07030	0.5
130.07797	0.4
131.08588	4.7
133.06635	0.2
133.10149	3.3
135.08063	16.0
135.11711	2.3
137.09621	1.3
143.08591	0.5
145.10135	7.1
147.08067	0.8
147.11702	3.3
149.02351	100.0
149.09625	8.7
149.13271	1.5
150.02672	0.8
157.10146	0.5
158.10965	0.7
159.11703	2.2
161.13264	1.1
162.10417	0.6
163.11182	2.2
163.14839	1.3
167.03419	0.9
172.12532	0.7
173.13278	1.3
177.12834	0.4
177.16394	5.9
187.14825	5.3
190.04982	1.2
205.08804	0.3
205.12296	0.8
205.14336	0.7
205.15897	18.5
229.50093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Mayurone
Peak:m/z	Relative Intensity
51.75337	2.7
52.98446	2.3
55.05493	7.1
57.07054	7.7
59.05009	23.0
67.05480	4.3
69.07053	7.1
71.52018	3.8
73.06537	6.0
77.16220	2.2
79.05470	5.4
81.07054	13.1
83.08621	3.9
85.06553	10.8
91.05478	12.6
93.07030	6.5
95.08585	10.2
97.02872	4.1
99.08086	4.5
105.07042	34.4
107.08561	6.9
109.06498	4.2
109.10184	3.0
111.08052	5.7
117.07005	7.4
119.08597	26.8
121.02866	7.0
121.06522	2.2
121.10122	10.1
123.08122	4.1
129.07001	5.7
130.07829	2.1
131.08572	94.4
133.10158	23.1
135.08066	10.6
137.09570	4.1
143.08498	6.5
144.09314	5.5
145.10126	19.9
147.08052	5.9
147.11681	5.8
149.02351	60.2
149.09662	10.4
158.10939	15.9
159.11639	2.8
161.09608	3.8
162.10376	9.0
163.11139	8.3
168.12331	2.3
173.13269	68.7
175.11185	3.8
175.14813	25.1
185.14214	2.0
199.75262	2.1
205.15857	100.0
208.51071	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02390	0.6
52.06750	0.4
53.03946	4.0
55.01878	1.1
55.05500	0.8
56.96563	1.1
57.03434	0.5
57.07080	4.9
59.05002	0.4
60.04531	4.1
61.02925	1.0
61.04860	0.8
63.54381	0.4
65.03943	2.1
67.05500	1.6
69.03431	3.6
69.07073	1.1
69.56416	2.3
70.09628	0.6
71.04990	1.5
72.68354	0.4
74.66638	0.4
77.03931	0.7
78.95276	2.1
79.05499	2.5
81.03416	4.7
81.07050	2.3
83.04971	1.4
84.08153	0.6
85.02905	6.4
85.06551	1.0
86.12854	0.4
91.05484	16.9
93.07046	58.9
95.04963	4.1
95.08627	0.7
97.02897	6.9
97.06534	1.1
98.03223	0.4
98.20721	0.5
98.97576	1.0
99.04456	2.4
99.08157	0.5
101.06030	0.7
103.05473	3.3
105.04513	1.4
105.07028	2.7
107.04964	1.4
107.08595	2.4
109.02885	5.1
109.06505	0.9
109.10160	0.9
111.04467	0.5
113.05979	0.5
115.05441	0.9
117.07043	2.2
118.06560	1.8
119.04972	0.4
119.08566	2.4
119.97909	1.8
121.02941	2.9
121.06508	100.0
121.10143	1.6
122.94199	1.0
122.96487	0.8
123.04484	0.7
123.08083	0.8
127.03924	3.4
127.07522	1.0
129.07031	1.2
131.04927	1.3
131.08589	2.6
132.08031	0.6
133.06538	1.0
133.10147	0.5
135.08104	1.0
135.11682	1.7
139.03952	0.7
140.95245	1.5
141.06979	0.9
144.08191	0.8
144.09328	1.1
145.06493	1.8
145.10129	2.6
146.06050	4.2
147.05533	1.1
147.08060	1.0
149.02347	29.5
149.05951	1.6
149.09631	0.8
149.13255	0.6
156.61209	0.4
158.96304	1.7
159.04471	1.3
159.08026	1.7
159.11705	4.9
161.05989	1.0
161.09576	0.9
161.13126	0.4
163.03917	1.5
163.07533	1.0
163.11180	2.6
163.96822	2.6
170.06071	0.6
172.08772	0.8
175.07521	2.0
177.05434	0.6
177.09113	1.1
177.12770	1.6
181.97890	3.5
187.06003	0.7
187.07565	0.9
187.11269	1.6
188.07071	4.5
193.04337	0.5
204.99619	0.4
205.06316	2.1
205.08635	2.9
205.12245	21.3
205.14069	1.6
205.15779	0.7
223.02939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05510	1.5
56.96563	1.9
57.03441	0.8
57.07074	2.3
60.04526	1.8
61.02918	1.2
61.03548	0.6
65.03930	0.9
67.05504	2.3
69.03421	3.3
71.04987	5.7
79.05495	4.8
81.07069	9.1
83.04974	1.8
85.02846	1.1
88.09205	0.7
91.05482	12.8
93.07053	9.6
95.04962	5.9
95.08632	1.1
97.02869	2.8
103.05469	1.3
105.07035	28.0
107.04956	1.8
107.08587	3.5
109.02908	1.6
109.06524	4.7
111.04428	1.1
115.05440	1.7
117.07024	14.0
119.08585	46.1
119.97923	1.1
121.02903	1.2
121.06496	4.6
121.10152	17.7
123.08081	3.6
125.06000	1.5
127.03938	1.0
128.06221	2.8
129.07014	8.1
130.07794	10.5
131.08597	3.0
133.10149	1.7
135.08054	3.1
135.11697	2.4
143.08540	4.5
144.09357	1.8
145.10129	100.0
146.07100	1.0
147.08051	91.2
149.02350	14.5
154.07735	1.1
159.11687	5.4
161.09631	5.3
162.10448	3.6
163.11189	51.9
163.96841	1.4
164.11617	0.9
169.10162	1.3
172.08896	1.2
177.12715	2.4
181.97861	1.2
182.06587	0.8
187.11189	12.1
205.08769	1.5
205.12248	21.1
205.13986	1.2
205.15862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1226
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.38290	0.8
50.84909	0.7
53.03944	1.0
54.96448	0.7
55.01868	1.4
55.05513	1.6
55.36273	0.8
56.96565	1.1
57.03421	1.1
57.07079	5.1
59.04998	1.2
60.04525	5.5
61.02911	1.4
61.04853	1.6
63.92930	1.3
65.03925	2.4
67.05498	2.9
69.03424	5.9
69.07066	1.4
69.21587	7.3
71.04988	5.1
75.77457	0.8
78.95261	2.5
79.05499	5.4
81.03410	2.8
81.07067	14.0
83.04990	2.5
85.02901	3.2
85.06538	1.0
87.04441	1.0
91.05479	12.6
93.07051	10.0
95.04996	3.8
95.08595	2.9
97.02894	8.7
98.21559	1.8
99.04466	1.6
103.05458	1.6
105.03322	0.8
105.04549	0.8
105.07038	23.0
107.04961	2.8
107.08597	6.5
109.02898	6.9
109.06529	6.3
109.10119	1.2
111.04467	1.6
113.96387	0.9
115.05435	1.8
117.07027	10.4
119.08589	35.3
119.97885	3.0
121.02886	4.8
121.03806	1.2
121.06502	5.8
121.10151	15.1
122.94209	1.3
123.08064	2.7
125.06018	1.6
127.03938	2.6
127.05867	1.2
128.06224	2.3
129.07022	5.9
130.07785	9.3
131.08562	5.4
133.10133	3.5
135.08055	4.3
135.11710	5.0
135.85834	0.9
140.95229	2.9
143.08578	3.1
144.09352	2.8
145.06505	2.7
145.10132	100.0
147.08054	62.5
147.11755	1.5
149.02354	39.2
149.09618	2.2
149.13304	1.5
158.05974	1.3
158.96324	2.2
159.08052	2.8
159.11697	10.2
161.09653	3.8
162.10428	2.2
163.11188	57.6
163.96861	5.3
169.10146	1.3
172.08856	1.9
173.13229	1.4
177.12743	5.5
181.97914	6.1
187.07727	1.0
187.11194	15.8
187.14754	1.0
204.99582	1.3
205.08830	3.1
205.12256	30.1
205.14131	3.6
205.15892	3.8
205.19563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01865	1.8
55.05500	3.2
56.96564	3.4
57.03445	1.0
57.07077	6.3
60.04525	3.1
61.02937	0.8
61.04870	0.7
63.92927	1.2
65.03946	2.1
66.95502	0.8
67.05503	2.9
69.03436	3.5
69.07059	2.1
69.18478	4.7
69.18903	2.8
70.06587	0.8
70.64585	0.8
71.04997	8.8
78.95265	2.0
79.05495	5.9
81.03402	1.8
81.07065	11.6
83.04987	1.8
83.08616	1.0
85.02898	3.3
85.06526	2.0
87.04486	1.2
91.05479	12.3
93.03392	0.9
93.07043	11.6
94.29152	0.7
95.04977	5.7
95.08614	3.1
97.02895	8.3
97.06544	1.8
98.20720	1.4
99.04455	2.0
103.05473	1.5
105.07034	29.3
107.04971	2.1
107.08613	6.7
109.02882	4.1
109.06527	6.5
109.10117	1.7
111.04461	1.4
113.96364	1.1
115.05407	1.7
117.07016	12.1
119.08587	41.4
119.97897	3.5
121.02859	3.3
121.04003	0.9
121.06522	5.8
121.10151	17.9
122.94197	1.4
122.96513	1.0
123.08087	4.6
123.11700	1.0
125.05975	1.7
127.03903	1.5
128.06197	2.8
129.07004	7.8
130.07776	9.8
131.08566	6.6
133.06432	0.8
133.10127	2.0
135.07170	0.8
135.08044	4.8
135.11694	3.7
137.06001	1.1
137.45699	0.7
140.95210	1.7
141.06985	1.2
143.08566	4.9
144.09331	2.5
145.10130	100.0
147.08052	80.5
147.11697	1.6
149.02345	42.5
149.06000	1.3
149.09624	1.7
154.07793	0.9
158.96335	2.1
159.08051	1.9
159.11684	7.8
161.09627	3.2
161.13268	0.8
162.10493	1.5
163.11183	56.8
163.96866	3.3
167.03571	0.6
169.10185	2.1
169.22334	0.8
172.08862	2.1
173.13342	1.5
177.12743	3.1
181.97870	4.2
187.11159	14.2
187.14844	1.3
188.07098	0.8
190.11810	0.8
204.99571	0.9
205.04979	1.5
205.08777	3.2
205.12251	33.0
205.14120	3.1
205.15768	5.1
205.19415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1233
Annotation	Acetyl-DL-carnitine
Peak:m/z	Relative Intensity
55.05516	1.6
56.05040	1.7
57.03436	1.6
57.07080	6.2
59.05009	0.8
60.04531	83.4
61.02925	1.6
63.79430	0.6
65.03918	0.6
67.05182	0.8
67.05513	11.1
68.05044	3.5
68.20880	0.5
69.03433	1.3
69.07085	0.8
70.06594	2.0
71.04993	1.0
71.51466	0.8
72.04517	1.5
72.30074	0.6
73.02929	0.6
81.03423	1.3
83.04975	1.6
84.04519	6.4
84.08150	43.9
85.02911	6.5
85.06551	99.8
86.06048	0.7
87.04459	0.5
91.05463	0.5
95.04971	1.6
96.04501	8.4
97.02908	7.9
98.06040	1.6
98.97640	0.6
99.04474	2.7
102.09190	55.8
102.96899	0.9
103.03973	0.6
105.07023	0.7
109.02892	1.7
110.06029	2.0
110.07198	0.8
111.04434	0.5
112.07608	6.0
114.05553	6.0
117.05512	0.9
120.08124	2.0
121.01121	1.5
121.06522	2.2
126.05527	8.6
126.09142	1.7
127.03914	1.7
127.07580	1.4
130.06477	0.6
130.08627	1.5
131.04945	0.7
138.05486	2.8
144.06520	2.4
144.10208	100.0
145.04953	2.2
145.08618	1.8
146.06017	0.8
149.00543	1.3
149.02332	2.0
156.06567	1.2
158.06049	1.0
158.08043	1.1
162.07590	0.6
162.11269	20.7
162.12637	1.0
163.01825	0.7
168.06512	2.9
176.01668	0.7
180.95367	0.6
186.07603	1.3
188.10699	0.8
189.11470	2.0
204.01141	2.1
204.06812	0.9
204.08649	15.2
204.10194	1.2
204.12256	9.0
204.13867	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	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03941	1.5
54.63435	0.6
55.05514	7.2
57.07071	1.5
60.04520	3.3
65.03947	1.0
67.05190	0.9
67.05513	12.2
69.03397	0.8
69.07076	17.4
69.27031	3.3
69.27457	3.0
77.03884	0.9
79.05059	1.0
79.05500	8.8
81.07066	28.5
83.04967	0.7
83.08619	3.8
84.04530	1.1
85.02919	0.8
91.05492	15.6
93.07054	15.7
95.04972	1.7
95.08617	29.2
96.04494	1.0
97.10162	1.6
101.51556	0.7
103.05464	1.0
105.07043	53.0
106.63068	0.7
107.08603	20.8
109.06532	1.5
109.10171	26.6
117.07005	2.9
119.08592	46.2
120.96519	1.3
121.06496	0.9
121.09333	1.3
121.10159	16.2
123.08058	0.8
123.11723	10.2
126.05535	1.5
129.07031	1.4
131.08524	3.6
133.06497	1.6
133.10150	37.1
135.11700	3.0
142.07787	1.3
143.08582	1.5
145.10133	11.3
147.08069	1.9
147.11702	69.4
157.10136	2.0
159.11728	3.9
160.08908	1.0
160.12492	5.8
161.09641	2.7
161.13269	20.5
170.10934	1.4
174.13927	0.7
175.11237	1.5
175.14841	6.0
179.97827	1.7
185.09601	1.0
185.13428	1.5
203.10593	3.7
203.14401	11.7
203.17976	100.0
204.08707	1.2
204.13847	1.0
204.18336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1433
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.68245	0.8
53.03930	2.2
55.01863	1.3
55.05277	1.0
55.05515	8.4
56.96556	2.2
57.03417	1.4
57.07071	3.3
59.04978	1.4
59.93116	1.2
60.04524	8.0
61.92864	0.9
67.05509	6.7
69.06741	1.4
69.07077	20.7
70.06583	0.9
71.15681	2.4
77.00623	1.5
77.93814	1.0
79.05499	7.3
81.07061	9.9
81.81082	1.0
83.04964	3.7
83.08595	4.3
84.04498	1.7
85.02937	1.1
91.05486	17.3
93.07053	20.1
93.72225	1.0
95.04973	7.2
95.08612	15.1
95.27273	0.9
96.04505	1.2
97.02889	1.8
97.06535	2.5
97.10151	1.1
102.05537	1.1
103.05431	1.5
105.07039	28.9
106.30846	1.0
107.08602	11.2
109.06514	6.9
109.10136	4.5
114.05524	1.9
115.05463	1.8
116.23630	0.9
117.07024	6.6
119.04937	1.1
119.08591	77.7
120.96513	8.4
121.02856	0.9
121.06504	5.0
121.10141	9.2
123.08105	2.3
126.05518	2.7
128.06181	3.0
129.07008	3.8
130.06506	1.3
130.07773	1.4
131.08557	6.2
132.05699	2.9
133.06499	2.4
133.10138	50.5
135.08038	3.8
135.11819	1.3
135.98853	1.7
138.95235	1.3
142.07768	3.3
143.08560	8.6
144.09258	1.0
145.06506	2.1
145.10132	10.4
146.07249	1.7
147.08057	100.0
147.11668	11.1
155.08492	2.9
156.09326	1.3
156.96228	2.9
157.10181	8.1
159.08020	2.0
159.11708	7.6
160.08775	1.3
160.12465	2.3
161.09627	17.5
161.13208	6.7
170.10913	12.3
171.06697	1.3
173.09642	2.5
173.13261	1.3
174.10374	1.2
175.11201	4.3
175.14835	62.4
179.97832	7.9
185.09596	1.2
185.13261	11.8
188.08371	1.2
188.12056	2.1
203.06934	2.4
203.10609	9.9
203.14326	45.7
203.17944	9.7
203.21997	4.5
204.08643	1.9
204.13770	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03689	2.1
53.03938	4.3
53.92904	1.9
55.01856	4.4
55.05507	15.3
56.96560	2.7
57.07069	4.2
60.04530	13.7
66.92445	2.2
67.05514	16.5
69.03427	3.7
69.07069	28.2
71.53574	2.8
79.05502	15.7
81.07055	27.8
83.04989	6.4
83.08616	7.1
84.04486	2.6
91.05476	29.8
92.58737	2.9
93.07050	31.7
95.04965	11.9
95.08614	32.8
97.06514	4.2
105.07044	65.3
107.04922	2.0
107.08606	27.9
109.06546	12.9
109.10161	19.3
114.05527	3.3
114.95650	2.9
115.05455	3.4
116.95214	2.8
117.07023	11.5
119.08588	100.0
120.96522	11.7
121.06487	6.6
121.10149	20.6
123.08062	5.4
123.11792	4.2
125.09614	3.6
126.05534	5.4
128.06221	6.5
129.07024	7.6
130.06476	2.5
130.07774	3.4
131.08560	19.0
133.06499	4.3
133.10139	81.1
135.11652	2.7
135.98854	2.6
142.07758	9.6
143.08553	16.0
144.06525	2.3
145.10124	23.8
147.08052	97.9
147.11694	46.8
152.95560	3.1
155.08560	5.3
156.96205	5.4
157.10106	14.8
159.11699	13.6
160.08836	5.7
161.09645	25.9
161.13231	15.4
170.10925	16.5
173.13289	6.8
175.07655	3.4
175.11218	6.4
175.14822	70.2
179.97815	14.3
185.05983	3.1
185.09590	4.0
185.13278	20.7
188.08253	2.7
188.11897	4.8
198.63097	2.6
198.64963	2.6
203.03423	4.5
203.07034	9.7
203.10687	18.3
203.14326	83.1
203.17975	53.3
204.08621	4.9
204.13846	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20810	0.4
55.01876	0.8
55.05528	0.4
55.93526	2.4
58.06588	0.4
59.32673	0.4
60.04524	3.1
62.06076	0.5
69.03434	0.7
69.07071	1.1
70.06606	1.0
71.01331	0.5
71.05000	0.5
71.93011	0.6
72.04482	0.4
72.08149	1.1
72.93803	1.0
82.02957	0.5
84.04527	1.7
84.08158	0.8
85.02922	0.7
86.09711	100.0
87.04470	3.7
89.94039	1.4
90.05566	0.7
96.04520	0.6
97.02898	1.3
99.01998	0.5
99.04467	0.9
100.03985	0.5
105.07042	0.6
107.95090	1.3
111.04445	0.5
114.05519	2.6
115.03936	1.4
119.01939	1.1
119.08616	0.5
120.96533	0.5
125.02380	0.4
125.96152	0.5
126.05560	0.8
128.95108	2.8
130.06537	20.7
130.96684	0.8
131.06039	0.5
142.05048	1.4
143.03447	0.7
143.04459	0.5
144.06561	1.1
146.96178	1.7
147.08081	0.4
148.97713	4.0
156.06812	0.5
157.07626	40.0
158.08113	0.5
161.03029	0.5
171.04091	0.5
174.98479	0.5
175.07581	0.7
185.07144	2.2
187.81778	0.4
191.04196	0.4
203.00853	3.8
203.03377	1.0
203.05267	16.3
203.08208	29.2
203.10567	1.0
203.13860	3.8
203.18272	0.7
204.08699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35963	1.1
68.30119	0.9
69.46433	6.8
70.06575	1.2
77.53819	1.1
112.11210	4.0
128.95065	1.1
129.13860	2.7
143.30563	1.1
146.96140	1.4
148.97693	1.1
183.82086	1.0
203.05273	100.0
203.15063	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	203.128
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.03943	2.8
55.01856	3.6
55.05516	17.8
56.96564	2.1
57.03432	7.3
59.05016	1.3
60.04265	1.3
60.04530	14.0
62.64330	1.1
65.03952	1.7
67.05180	2.2
67.05513	31.4
69.03432	24.9
69.07072	34.5
70.06591	2.7
71.04999	48.3
72.08137	1.6
73.02896	1.3
79.05499	46.6
81.06590	2.0
81.07063	31.1
83.04985	13.5
83.08605	2.1
83.86089	1.3
84.04506	1.9
84.08130	2.4
85.02904	2.9
85.06554	1.5
86.09702	3.9
87.04478	35.0
91.05482	10.9
93.03398	1.3
93.07050	84.1
95.01663	1.5
95.04974	2.7
95.08611	59.6
96.04523	1.1
97.02866	2.3
97.06533	20.7
97.10170	2.4
98.97579	3.9
99.08090	2.0
101.00901	1.7
101.06030	8.4
105.07027	6.5
107.04929	1.4
107.08593	7.7
109.10129	3.8
111.04433	3.2
111.08073	2.8
111.11736	2.3
113.09653	2.2
114.05517	2.0
115.03942	23.5
117.07037	1.3
119.01912	3.9
119.08562	3.5
120.96519	3.9
121.10152	100.0
123.11732	1.2
125.06013	4.3
129.07011	4.8
130.04008	1.2
130.06575	1.7
131.08559	4.7
133.06430	1.6
133.10141	3.5
135.98828	1.7
137.03038	1.3
139.11194	77.4
143.01912	2.7
143.07028	1.7
143.08553	2.5
147.11726	1.7
148.97733	2.1
149.09605	6.1
157.06418	1.6
157.07639	1.7
157.10129	4.1
157.12247	58.0
159.11700	1.8
160.05121	1.9
161.02977	2.6
161.06001	4.2
161.09634	3.3
167.10712	3.7
170.10988	1.7
175.07527	2.5
175.11160	2.7
179.97890	2.5
185.09633	1.1
185.10301	1.4
185.11783	12.5
185.13251	2.7
203.03503	1.5
203.06734	6.8
203.10571	8.8
203.12598	1.7
203.14368	5.0
203.18036	2.5
204.08678	1.6
204.13895	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	202.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.6
55.05758	0.9
56.05041	11.9
60.04530	17.2
60.04821	1.1
61.92675	0.6
65.03948	8.8
67.05521	1.3
70.06597	1.1
71.04997	24.4
71.05371	1.4
71.36755	1.2
72.04542	2.4
72.08152	0.7
73.06563	9.9
79.05483	4.7
81.07083	1.4
82.06584	7.3
83.04987	29.7
84.08195	0.7
85.06581	0.8
86.09743	1.2
87.08093	3.3
93.03413	24.3
97.06536	5.8
98.20889	0.8
100.07625	22.1
100.08283	1.3
110.06052	9.3
114.05544	1.0
114.95688	1.0
115.07576	49.2
119.01962	0.8
124.53510	0.7
125.05998	7.5
128.07080	0.9
142.05042	0.8
142.08641	28.7
143.07053	20.3
156.04530	1.0
156.10242	0.7
158.11717	1.2
160.09708	100.0
161.10054	0.9
174.05495	2.5
178.98425	1.0
184.09760	3.6
202.01685	1.7
202.08820	1.2
202.10744	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	202.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51504	0.5
55.01862	1.6
55.05503	1.0
55.93537	0.7
56.05041	21.8
57.03455	3.0
57.07067	1.9
57.93560	1.0
59.01360	0.9
60.04529	1.0
65.16061	0.5
66.03460	3.5
67.05501	2.5
68.05013	1.6
68.44058	0.6
69.07066	2.3
70.02966	2.8
70.06590	1.8
71.04986	1.3
71.23936	0.8
72.04528	3.7
72.08162	1.3
73.02921	3.4
74.02433	0.9
74.65133	0.6
79.05485	1.1
81.03407	0.6
81.07068	1.5
82.06554	0.7
83.04970	1.3
84.04507	6.3
84.08144	1.6
85.02946	0.8
85.06544	1.4
86.06065	1.1
86.09698	2.5
87.04456	0.6
87.08094	0.8
87.10021	0.7
95.04980	3.1
95.08592	0.7
96.04505	3.0
96.08115	1.7
97.02875	1.1
97.05261	0.6
97.80412	0.7
98.02419	5.4
98.06041	1.0
98.97588	0.8
100.03979	2.7
100.07651	1.2
101.00887	1.0
101.02381	5.8
101.95045	0.7
102.05557	10.8
110.06034	1.1
112.07588	0.7
113.06009	2.0
114.05539	43.6
114.95645	2.4
115.03957	0.8
115.07589	1.1
116.03477	3.7
116.04146	0.7
116.07033	0.5
116.98569	0.7
118.96751	2.6
119.01919	2.0
119.03394	3.1
119.96865	2.0
120.96473	0.7
124.03994	4.8
124.07598	6.0
125.02411	0.7
125.05991	0.6
128.07082	1.7
128.95149	0.8
132.10202	1.0
132.96729	1.8
137.02925	1.0
138.09134	1.4
140.10765	0.7
142.05000	21.0
142.08641	7.0
143.06944	1.0
148.97690	1.1
151.21533	0.5
152.03389	0.6
154.96475	0.7
155.96719	0.6
156.06563	100.0
156.10095	2.9
156.13847	2.4
158.11781	1.6
160.09734	2.7
161.02811	0.8
166.08665	1.0
170.04457	0.6
171.02066	1.3
174.05527	0.9
174.11270	0.6
177.98160	1.6
178.95975	0.9
178.98337	3.7
179.04103	0.7
184.06073	32.0
184.09621	5.8
202.05070	1.4
202.06978	1.4
202.08783	1.6
202.10756	16.8
202.12456	0.8
202.14447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05489	1.7
57.03423	1.1
57.07061	2.6
59.93099	1.5
66.87142	0.7
67.05503	5.4
69.07051	2.6
71.04998	0.8
77.94130	1.2
79.05484	3.3
81.03418	1.5
81.07063	9.5
83.08594	1.0
91.05471	6.1
93.07045	8.1
95.04945	0.9
95.08609	7.8
98.20763	2.3
105.07034	15.2
107.08599	9.8
109.10188	4.2
114.95692	1.0
115.05460	0.9
117.07018	7.8
118.96768	14.2
119.08591	10.8
121.10149	3.5
127.03964	1.0
128.06227	0.8
128.14336	1.6
129.07008	2.5
130.07802	3.0
131.08569	23.1
133.10120	13.1
133.99091	3.7
134.80812	0.7
136.95395	2.0
141.98378	1.5
143.08557	3.0
144.09326	3.3
145.10130	54.3
146.10881	2.0
147.11691	1.7
150.95700	1.1
154.96471	3.7
155.08574	1.2
157.10138	3.6
158.10931	2.0
159.11693	44.0
159.96982	0.9
168.09286	1.2
172.12396	1.2
173.09644	1.2
173.13268	10.4
177.98053	12.7
183.11629	1.7
186.13988	1.3
194.01042	0.7
199.14832	0.9
200.99675	2.3
201.09122	1.7
201.12738	5.2
201.16389	100.0
202.16734	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93562	0.5
58.88209	0.4
65.75912	0.4
70.48353	1.4
73.65942	0.5
76.20528	0.4
82.99829	4.5
84.08144	3.4
101.00883	55.2
111.00458	0.5
112.11259	0.6
114.95639	2.8
118.96748	0.5
119.01923	100.0
120.01995	0.9
124.02459	5.7
132.96689	1.1
137.01866	0.5
137.02954	18.8
142.03500	43.4
143.01883	1.6
151.51591	0.7
160.04565	12.0
161.02960	37.2
165.05148	1.3
178.05623	0.6
178.95993	1.3
178.98349	0.9
179.04012	43.0
180.04227	0.6
184.04512	2.0
202.05620	2.8
203.70869	0.4
217.76732	0.4
220.01985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03942	0.9
55.05516	3.4
57.03441	0.8
57.07086	3.7
59.93100	2.6
63.21166	0.6
65.37237	0.6
67.05512	8.3
69.07081	4.4
69.21758	6.2
71.05008	0.7
71.08638	1.1
77.94150	1.9
79.05494	10.1
81.03423	0.7
81.07068	16.7
82.96590	0.8
83.08614	1.0
91.05490	12.3
93.06482	1.2
93.07051	16.9
95.04972	1.6
95.08002	0.7
95.08617	13.7
95.95158	0.9
96.09000	0.7
97.79250	0.7
103.05464	1.1
105.04519	0.7
105.07043	27.2
107.08604	22.6
109.06520	1.3
109.10164	4.8
115.05435	1.4
117.07028	13.2
118.50305	0.7
118.96765	20.6
119.08589	15.4
121.10149	7.4
127.03900	1.6
128.14369	1.8
129.06979	3.7
130.07797	3.1
131.08585	27.6
133.10144	12.8
133.99107	5.0
135.11720	0.6
136.95442	2.9
137.05862	0.8
137.09589	0.7
141.06996	1.2
141.98372	2.1
143.08574	4.1
144.09370	3.6
145.10138	57.7
146.10896	3.8
147.11722	1.0
150.95720	2.3
154.96487	6.1
155.08527	0.9
157.00740	1.1
157.10162	3.0
158.10959	1.9
159.08049	1.4
159.11702	37.3
159.97018	2.6
160.12294	0.9
168.09256	0.6
171.11682	1.6
172.12489	1.3
172.97528	0.9
173.09593	1.2
173.13283	14.7
177.98087	18.4
183.06534	0.9
183.11711	2.0
186.10420	1.2
186.14037	1.9
199.14783	0.9
200.99670	2.7
201.12817	7.8
201.16402	100.0
202.16797	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	201.1124
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
53.03953	2.6
55.01882	7.6
55.05516	8.6
56.96574	9.4
57.03431	4.3
58.13023	1.2
59.93110	4.8
65.03927	1.6
65.32942	1.2
67.05513	41.5
69.03433	13.7
69.07073	5.4
70.06583	3.8
71.05000	78.5
71.51479	1.3
71.51878	1.7
72.08170	9.1
73.02910	4.3
74.95473	1.3
77.94153	3.2
79.05497	14.6
81.03421	5.4
81.07056	13.5
83.04990	4.5
83.08622	4.0
84.04530	1.9
84.08156	1.9
85.02926	7.9
85.06548	3.3
86.09695	8.7
87.04478	12.8
91.05489	58.9
93.06485	2.6
93.07051	41.1
95.04987	9.3
95.08617	49.0
97.02894	3.2
97.06553	5.2
97.10147	2.7
98.97599	18.9
99.04483	4.6
99.08059	2.0
101.02383	9.0
101.06008	2.0
105.07011	7.6
107.04967	2.1
107.08611	5.4
109.02879	4.3
109.06516	5.0
109.10174	28.5
110.01302	1.8
111.04417	3.6
111.08100	8.3
113.06033	4.9
113.09668	1.8
114.05540	1.5
115.03949	7.1
115.05432	3.0
115.07568	1.5
116.98639	9.9
117.07061	6.5
118.96774	51.1
119.01867	2.4
119.04858	1.7
119.08595	100.0
121.10136	2.3
122.06036	1.4
123.04430	1.9
123.08089	8.2
124.07603	1.4
125.06014	2.2
125.09647	3.4
127.03937	10.4
128.02319	4.2
128.14348	2.6
129.07004	3.0
131.08578	3.8
133.99126	11.9
134.99687	1.6
136.06224	1.9
136.95421	5.0
137.05971	3.6
137.09630	69.1
140.04700	2.1
140.07062	2.0
141.01880	1.6
141.05437	5.1
142.05151	3.3
145.06520	2.7
145.10146	5.6
147.08061	12.8
150.95715	2.9
154.96487	13.9
155.10701	15.2
156.10237	2.1
158.99713	7.7
159.07948	1.9
159.97055	4.7
164.05875	3.3
165.05463	1.9
165.09169	9.8
169.05009	1.5
169.08578	3.9
170.05894	1.5
173.06052	4.1
173.13112	1.8
177.00720	5.7
177.98082	43.6
177.99542	2.8
183.06647	1.8
183.08635	1.3
183.10162	7.8
183.11586	1.9
186.11531	4.0
189.05952	1.9
200.99706	3.1
201.05420	10.1
201.09174	4.3
201.11230	32.2
201.12805	5.4
201.16333	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	199.0602
Annotation	Syringic acid
Peak:m/z	Relative Intensity
50.01569	0.3
50.54718	0.3
51.02382	0.7
53.03946	4.4
55.01864	1.3
57.93560	0.3
63.53927	0.3
65.03938	2.5
67.05506	2.2
69.07037	0.3
70.09866	1.3
71.04999	0.3
71.22896	0.3
74.09703	0.9
77.03905	1.2
81.03411	0.8
83.04966	0.3
93.03390	1.0
95.04970	23.0
95.88992	0.3
97.02914	1.0
100.07623	0.4
105.04514	2.2
109.06568	0.4
110.03656	1.1
111.04450	1.1
116.97239	2.4
120.02083	0.5
121.02892	1.8
121.03901	0.3
123.04435	13.9
125.02358	10.4
131.99510	0.7
134.95891	0.6
135.08125	0.3
137.02428	0.4
139.03902	0.9
140.04689	100.0
141.05057	0.5
149.02342	0.7
149.03445	0.4
152.96886	0.6
155.07036	21.6
157.97508	0.4
162.59550	0.3
166.02657	0.7
167.03461	1.6
173.08081	1.3
175.98563	2.9
181.04982	4.7
198.53851	0.3
199.05983	3.0
199.18933	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	199.133
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03939	1.0
55.05513	19.5
57.03415	1.2
57.07075	13.0
57.93557	2.4
67.05489	3.0
69.03413	1.7
69.07082	4.5
69.31459	2.4
69.31874	3.2
70.44492	0.7
71.04972	0.8
74.09722	7.4
75.94613	1.4
79.05496	4.2
81.07068	4.6
81.87394	0.6
83.04983	7.8
83.08623	1.0
85.06537	4.5
91.05483	3.5
93.07049	11.7
95.04976	2.0
95.08612	8.6
97.06537	5.1
98.96178	0.9
98.97595	0.9
100.07634	1.7
105.07037	5.2
107.04949	0.8
107.08607	17.3
109.06513	2.7
109.10138	3.7
111.04449	100.0
111.08083	3.0
111.57899	0.7
113.06013	2.5
115.00597	0.6
116.97237	21.0
116.98549	1.0
117.07017	1.7
118.56753	0.7
119.08611	3.5
121.06480	3.5
121.10144	2.9
123.08070	1.6
125.05062	1.3
125.05997	27.7
126.96758	0.9
127.07568	3.0
128.06223	1.5
129.07011	1.9
129.58614	0.7
130.07802	1.4
131.99548	5.4
134.95860	3.5
135.08064	14.1
135.11696	20.0
136.79320	0.7
137.13266	2.2
139.07506	3.8
139.98769	1.2
140.04710	1.6
142.07835	1.8
143.08577	4.3
145.10132	17.3
148.96201	2.0
152.96924	4.4
153.12773	5.4
155.08580	0.8
156.09406	1.4
157.10130	6.7
157.97502	2.9
158.15402	9.0
163.11195	21.5
171.11755	2.7
175.98550	17.4
181.12247	42.6
184.12491	1.2
199.00160	1.3
199.11307	1.8
199.13223	1.3
199.14876	10.5
199.18918	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	199.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.3
53.03948	4.1
53.04179	0.6
53.18589	0.3
55.01839	1.0
55.05477	1.1
57.93530	0.9
63.86976	0.2
65.03943	3.1
67.05507	3.0
69.07029	1.2
70.90218	0.8
71.08561	0.2
71.75912	0.3
72.04475	0.5
73.21181	0.3
74.09723	3.1
75.94578	1.0
77.03909	0.6
79.05477	0.5
80.02599	0.3
81.03384	0.6
81.07030	0.4
83.04948	0.9
83.08590	0.6
86.09698	0.6
89.82625	0.3
91.05462	0.5
92.43214	0.3
93.03378	0.9
93.07005	0.7
93.95631	0.4
95.04970	22.3
95.08564	0.3
97.02891	1.9
97.06496	0.5
98.96184	0.3
98.97606	1.3
99.04416	0.3
100.07605	0.8
100.61463	0.3
105.04504	1.9
107.04898	0.3
107.08570	0.5
109.06494	0.5
110.03645	1.2
111.04443	2.2
111.08150	0.3
116.97228	10.4
116.98552	0.6
120.02044	0.4
121.02865	1.9
121.03957	0.6
121.06494	0.3
121.10109	0.4
122.65993	0.3
123.04432	13.7
123.08020	0.3
125.02351	11.9
131.99544	3.0
134.95877	2.4
135.08073	0.4
137.09648	0.3
139.03883	0.9
139.07486	0.3
140.04686	100.0
141.04999	0.5
145.91052	0.3
148.96207	0.6
149.02377	0.4
152.96918	2.9
152.99072	0.3
153.05490	0.3
153.09093	0.4
155.07033	19.8
157.97440	1.9
166.02663	0.5
167.03430	1.6
167.07117	0.4
170.98050	0.4
173.08130	1.0
175.98526	9.7
180.98653	0.4
181.04959	5.0
181.08647	0.5
199.00133	0.2
199.06029	2.4
199.07596	0.4
199.14522	0.5
199.18915	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.05516	1.8
59.04984	1.7
67.05492	2.8
69.45049	6.8
79.05479	3.3
81.07050	5.0
85.53284	1.0
87.01275	1.4
89.41689	1.0
91.05477	10.8
93.07051	18.2
95.04969	5.5
95.08559	1.3
105.07034	20.5
107.08601	55.8
109.06509	4.1
109.10143	4.5
114.25935	1.4
119.04916	1.4
119.08555	8.2
121.06496	4.4
123.04447	2.8
123.11707	3.3
131.08539	2.0
133.10141	56.6
135.11703	58.7
137.05942	1.6
137.09592	2.4
143.08537	2.0
146.07199	1.6
151.11198	5.5
157.84541	1.3
161.09628	28.5
179.10686	100.0
189.01181	1.1
197.11746	96.4
198.12144	1.5
206.53850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03949	0.9
55.01882	1.9
55.05507	2.4
59.04977	0.7
61.02921	1.0
67.05497	3.7
69.03430	1.8
69.07063	0.8
70.95871	3.0
70.97203	1.5
71.01362	0.6
71.04994	0.8
72.93790	2.0
73.02940	0.7
79.05499	6.1
81.03470	0.6
81.07054	7.4
83.04987	1.1
85.02902	0.7
90.87428	0.6
91.05481	12.0
93.07047	17.4
95.04973	2.4
95.08611	4.0
97.02894	0.7
97.06536	1.6
97.10201	0.6
99.04494	1.1
99.08102	0.9
105.07038	27.3
107.08598	100.0
109.06550	3.6
109.10150	5.2
111.04452	0.7
111.08173	0.7
111.98475	4.4
113.06030	0.7
117.06977	0.7
119.04955	1.4
119.06107	0.8
119.08588	12.9
121.06483	2.9
121.10143	11.1
123.08110	2.6
123.11710	2.3
125.05997	2.0
125.09634	1.2
127.03929	1.0
128.06244	0.6
129.99515	1.5
131.08563	2.7
132.95842	8.2
133.06532	1.2
133.10136	61.5
135.08078	1.2
135.11700	7.2
137.05986	6.4
137.09593	3.5
139.07530	2.7
143.08569	2.1
146.07227	1.4
149.09621	7.1
150.96886	6.1
151.07571	2.1
151.11194	15.6
155.08522	0.9
155.97453	6.5
161.09628	18.8
165.76497	0.6
167.10689	26.0
173.98486	6.8
179.10678	37.8
197.00102	1.2
197.11736	77.3
198.18494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01863	1.9
55.05504	2.9
57.03482	0.6
57.07075	1.2
59.04998	2.8
61.13467	0.6
65.03936	1.0
67.05514	5.4
69.03423	1.5
69.07055	2.1
70.56429	1.1
70.56783	1.5
70.95871	3.9
72.93768	2.2
79.05491	7.0
81.07060	8.2
83.04982	0.9
85.06548	1.3
88.96905	0.8
91.05489	17.1
93.07050	22.7
93.07642	1.3
95.04966	6.9
95.08617	4.9
97.06580	0.7
98.20923	0.7
99.08138	0.6
105.04453	0.7
105.07040	30.3
107.04929	1.1
107.08601	71.8
109.06533	7.7
109.10155	8.2
111.04459	0.9
111.98476	6.8
113.96338	1.2
115.05398	0.6
117.07051	0.7
118.07809	0.8
119.04958	2.5
119.06030	0.7
119.08594	9.1
121.06511	6.1
121.10161	2.0
123.04443	3.8
123.08061	1.8
123.11709	3.8
125.06012	0.6
129.99530	2.2
131.08565	3.1
132.95862	12.8
133.02876	1.1
133.06494	1.5
133.10139	71.5
135.08057	1.8
135.11700	54.8
137.05980	7.2
137.09605	6.5
139.07605	1.3
141.05347	0.7
143.08568	1.5
146.07272	1.8
149.09589	1.1
150.96892	9.5
151.03940	0.7
151.07552	1.3
151.11200	7.0
155.97430	10.7
161.09627	34.6
165.05463	1.8
167.10696	2.5
172.47090	0.6
173.98528	9.8
179.10681	100.0
197.00235	0.7
197.11745	86.6
198.18547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03948	1.3
55.01879	1.5
55.05516	2.0
56.44908	0.6
57.03451	1.3
57.07088	1.3
58.67824	0.6
59.05007	2.7
63.94005	0.7
67.05512	7.0
69.03436	2.0
69.07077	1.9
70.90725	1.8
70.95874	11.8
71.01366	0.9
71.04993	1.4
72.93784	4.4
73.02888	0.8
77.03912	0.7
79.05500	6.0
81.03423	1.0
81.07059	9.2
83.04978	2.0
83.08610	1.0
84.56647	0.7
85.06567	1.3
88.96891	0.7
91.05485	16.0
91.06020	1.1
93.07050	22.5
95.04977	11.8
95.08620	5.3
97.02890	0.9
97.06514	4.0
99.04452	1.9
99.08086	1.1
105.02721	1.4
105.03400	17.9
105.04519	0.9
105.07036	26.7
107.08601	65.5
109.06523	6.0
109.10175	9.0
111.08006	1.1
111.98485	10.6
113.06036	1.7
113.96422	1.2
115.05389	0.8
119.04928	1.7
119.06108	1.1
119.08591	8.4
121.06529	4.7
121.10155	1.9
123.04420	4.5
123.08091	3.8
123.11701	3.5
125.06038	1.3
128.06238	1.4
129.99562	3.7
131.08543	2.1
132.95847	24.6
133.06514	2.0
133.10138	63.3
135.08069	2.7
135.11697	53.5
136.78867	0.6
137.06000	4.5
137.09624	6.5
139.07573	1.1
141.05476	3.2
142.51213	0.8
143.08528	1.5
146.07225	1.3
147.04454	1.8
150.96892	20.2
151.03946	1.4
151.07526	2.0
151.11165	6.8
155.97430	17.3
161.09616	34.2
173.98499	20.4
179.10680	100.0
197.00043	1.2
197.11739	88.2
198.18526	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	197.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07846	0.7
53.03970	1.2
55.05522	2.5
57.07092	0.9
59.05027	2.4
62.76010	0.7
65.03956	1.1
67.05505	6.5
69.03431	1.3
69.07072	4.3
69.40925	5.1
70.95866	6.4
71.01378	1.2
71.05002	1.2
72.93796	1.7
78.53754	0.7
79.05497	5.5
81.03410	1.2
81.07056	9.0
83.05015	1.3
83.08619	1.0
85.06543	1.4
91.05483	11.5
93.07050	18.5
95.04970	6.6
95.08622	5.2
97.06561	1.6
99.04494	1.5
105.03381	1.4
105.06330	1.4
105.07039	27.3
107.08599	54.2
109.06519	5.1
109.10159	16.6
111.98473	6.8
113.96416	0.7
119.04966	2.0
119.06092	1.0
119.08598	6.1
121.06503	5.8
121.10158	1.6
123.04428	4.0
123.08096	1.3
123.11713	3.6
127.11176	1.7
129.99522	1.4
131.08588	2.3
132.95831	12.5
133.06493	1.6
133.10138	59.1
135.08076	2.6
135.11699	49.2
137.05972	4.9
137.09625	4.9
141.05566	0.9
146.07272	1.8
150.96884	10.8
151.07570	0.9
151.11203	6.7
155.97432	10.0
161.09619	30.1
167.10678	0.9
167.66043	0.9
173.98480	9.8
179.10683	100.0
197.00070	1.5
197.11739	98.1
198.18539	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	197.1176
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
52.54231	0.7
53.03956	0.9
55.05513	3.7
57.07079	2.7
59.05009	0.9
66.81497	0.6
67.05511	10.3
69.03438	0.8
69.07062	4.0
70.56342	1.0
70.56695	1.5
70.95861	3.5
71.01360	100.0
71.04993	3.7
71.05340	0.6
71.77390	0.7
72.31323	0.7
72.93799	2.0
79.05514	2.5
81.03421	1.0
81.07059	5.7
83.04980	1.5
83.08620	7.2
85.06571	2.3
85.10193	9.3
91.05472	5.5
93.07051	9.4
95.04962	4.4
95.08615	4.9
97.06521	3.6
100.70852	0.8
105.07060	8.1
107.07878	1.5
107.08601	28.1
109.06506	2.0
109.10166	29.8
111.08091	5.7
111.98479	3.2
113.06015	1.5
113.09706	0.8
119.08614	2.9
121.06511	2.4
121.10152	0.8
123.08067	1.2
123.11751	1.5
125.09641	14.7
127.11197	2.1
129.99539	1.0
132.95848	6.9
133.10141	16.4
133.11110	1.3
135.11702	14.0
137.05940	1.0
137.09608	4.8
139.07555	4.6
141.05457	2.5
150.96913	5.0
151.11208	2.7
153.09093	2.3
155.10681	88.9
155.97449	6.9
156.11087	0.9
161.09628	7.8
173.98500	6.0
179.10674	29.1
194.76561	0.7
197.00374	0.7
197.11751	63.5
198.18593	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
52.60534	0.7
53.03936	2.5
55.01862	1.1
55.05506	3.4
56.89038	0.7
57.03429	2.2
57.07074	2.2
59.04991	2.6
61.68079	0.8
65.03931	3.4
67.05505	27.2
68.64079	0.7
68.69373	0.7
69.03420	1.6
69.07068	8.5
70.87548	2.3
71.05001	2.2
71.08643	1.0
71.95289	0.8
79.05495	100.0
81.03406	2.5
81.07056	43.4
83.04976	8.5
83.08611	2.7
85.02911	1.0
85.06523	1.9
89.03920	3.4
89.06036	7.1
91.05487	9.8
93.03407	2.6
93.07046	38.8
95.04979	4.9
95.08612	10.7
97.00550	1.3
97.05923	1.7
97.06534	27.9
97.07154	1.7
105.07031	3.8
107.04961	8.5
107.08601	24.0
109.06524	2.4
109.10159	2.2
111.04440	14.4
111.08066	2.0
112.69035	0.9
117.03381	6.9
117.07018	5.8
119.08562	4.2
121.06512	3.9
121.10160	8.8
123.08009	1.1
125.05996	49.4
125.09647	1.2
131.08591	3.9
133.02852	3.2
133.08586	1.1
133.10143	5.5
134.03613	1.2
135.04395	2.7
135.08052	3.2
135.11693	12.9
139.07556	3.4
145.02841	9.5
148.97325	1.5
149.05983	3.3
149.13264	69.2
151.11234	1.7
151.98984	0.9
153.07002	1.2
153.09094	2.3
155.08598	1.3
159.11696	11.6
163.03911	32.8
165.07022	13.0
167.07124	1.2
167.08626	2.6
167.14365	1.2
177.05482	14.7
177.09132	1.6
177.12753	34.2
177.16299	1.1
179.08568	3.0
180.09346	13.9
194.50499	0.8
195.02956	1.4
195.06465	1.4
195.08096	1.9
195.10072	2.8
195.11708	26.5
195.13808	23.2
195.15732	3.4
196.12054	0.8
205.49754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03939	0.8
55.01883	0.6
55.05511	2.1
56.50153	0.7
57.03434	0.6
57.07059	0.7
59.04998	2.0
65.03941	1.0
67.05506	4.8
69.03444	0.9
69.07076	1.7
70.10094	2.6
70.95871	5.6
71.01358	2.1
71.04988	1.7
72.93785	2.5
79.05501	5.5
81.07063	13.3
81.88503	0.6
83.04989	3.1
85.02924	1.0
85.05990	0.6
85.06543	0.7
88.96916	0.8
91.05482	10.5
93.07047	9.6
95.04975	5.0
95.08614	3.2
96.77837	0.6
97.02892	1.2
97.06541	1.8
99.04450	4.0
99.08099	2.9
104.48604	0.6
105.07034	17.7
107.08601	100.0
109.06532	5.0
109.10167	8.1
111.04447	1.6
111.98481	7.3
113.96381	0.7
114.94817	0.8
117.07063	1.0
119.04980	0.6
119.06086	1.5
119.08594	5.6
120.04757	0.6
121.06522	3.7
121.10151	1.6
123.04437	1.0
123.08056	2.6
123.11698	2.2
125.05959	1.2
129.99532	1.7
131.08592	1.6
132.95839	13.9
133.10139	58.0
135.08064	2.8
135.11702	19.8
137.05978	3.2
137.09641	5.2
139.07608	1.4
141.05467	1.4
146.07230	1.9
150.96910	10.7
151.04019	0.8
151.07597	0.9
151.11218	4.7
155.10640	0.9
155.97418	10.4
156.72694	0.7
161.09624	16.2
161.13243	0.9
165.05446	1.0
173.98523	11.0
179.10680	32.7
197.00104	0.8
197.07053	2.6
197.11740	80.5
198.18501	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.26227	1.0
51.30818	0.9
53.03937	4.0
55.01864	3.0
55.05275	1.3
55.05515	18.2
57.03438	6.6
57.07072	2.8
59.05012	1.5
65.03944	2.3
67.05509	71.7
68.99784	1.5
69.03417	2.6
69.06743	1.2
69.07078	19.6
71.01352	1.8
71.05000	5.9
73.02891	1.0
76.21169	0.9
78.88927	1.0
79.05499	45.4
81.03428	6.6
81.07062	100.0
83.04501	1.2
83.04988	18.7
83.08624	13.8
85.06528	4.1
89.03917	2.7
89.06033	2.7
91.05486	28.3
93.07050	68.2
95.04978	8.8
95.08614	36.8
97.06538	15.9
97.10181	1.9
99.04441	1.5
99.08086	3.2
105.04533	1.1
105.07036	11.6
107.04962	2.8
107.08610	30.6
109.06512	3.6
109.10169	5.6
111.04449	1.5
111.08089	7.5
113.06047	1.7
113.09660	1.8
117.03428	4.9
117.07021	11.4
119.08574	3.5
121.06544	4.6
121.10146	14.8
123.08049	2.5
123.11717	1.6
125.09662	2.0
130.96298	2.0
131.08559	13.8
133.02850	1.2
133.10138	13.9
135.04439	2.5
135.08069	5.5
135.10704	1.6
135.11703	24.5
137.09586	1.0
139.07535	2.2
139.11212	1.5
144.09323	1.8
145.02847	9.6
147.11694	1.1
149.06004	2.5
149.09628	2.5
149.13268	27.9
151.11208	1.8
153.09084	2.7
153.97911	1.6
159.11696	23.5
163.03911	27.3
165.06946	2.2
171.98933	1.0
177.05475	13.4
177.12744	14.7
180.09186	1.6
184.11758	1.0
195.06560	1.5
195.08162	2.8
195.10117	2.3
195.11711	3.7
195.13809	22.7
195.15666	2.3
211.25569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.05500	1.2
57.07091	1.3
59.04983	0.3
62.50853	0.2
65.03941	0.3
67.05509	1.7
68.99796	44.2
69.03440	2.0
69.07066	1.5
69.73393	0.2
71.05000	0.7
71.20022	0.5
79.05486	1.3
81.07054	1.7
83.04982	3.1
83.08632	1.4
85.02897	0.5
85.10192	16.5
89.03938	0.3
89.06049	0.4
91.05484	1.3
93.07036	1.5
95.04958	0.7
95.08617	0.6
97.06544	2.2
101.88252	0.3
105.07037	0.7
107.08605	9.3
109.06530	0.8
109.10173	1.9
111.04439	2.0
111.08103	1.2
117.03425	0.7
117.07080	0.3
119.08611	0.3
121.06511	0.6
121.10157	0.8
125.09642	25.8
126.09993	0.4
130.96353	0.4
131.08543	0.4
135.04440	0.3
135.08073	2.3
135.11725	0.8
137.05995	1.0
145.02898	1.9
149.06050	0.5
149.09633	2.2
153.09116	100.0
153.97894	0.3
154.09456	0.6
159.08061	0.4
163.03963	0.7
163.11191	0.8
171.98975	0.4
177.05461	2.8
177.09122	0.5
177.12727	0.4
193.74652	0.2
194.42781	0.3
195.10182	19.7
195.13831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01881	0.9
55.05512	3.9
56.96582	0.5
57.03455	0.4
57.07078	1.6
59.05006	0.6
62.78830	0.3
65.03950	0.5
66.95027	0.3
67.05176	0.7
67.05511	8.2
68.99795	43.7
69.03435	2.1
69.07063	3.9
70.14137	1.2
70.14472	0.5
71.01357	0.4
71.05001	1.6
71.95281	0.3
73.06557	0.6
79.05499	7.5
81.03415	1.7
81.07063	12.2
83.04984	4.5
83.08631	3.6
85.02945	0.5
85.06536	0.5
85.10191	14.9
89.03938	1.5
89.06036	2.1
91.05491	5.7
92.05748	0.4
93.07050	8.5
95.04980	2.2
95.08617	5.5
97.06539	3.1
97.10175	0.5
100.02486	0.8
101.42403	0.4
103.05497	0.6
103.45464	0.4
105.07030	2.9
106.04194	0.5
107.04958	1.5
107.08602	14.1
107.09314	0.8
107.66509	0.3
109.02908	0.4
109.06509	2.2
109.10168	3.0
109.98997	0.4
110.79751	0.4
110.99161	0.3
111.04466	2.9
111.08080	2.4
112.96721	0.4
117.03375	4.4
117.07039	0.9
119.08626	0.8
121.06495	2.1
121.10141	3.5
123.08107	0.7
125.06008	0.5
125.09637	28.1
127.03880	0.4
130.96291	0.7
131.08565	2.9
131.96181	0.9
133.02867	2.4
133.06503	12.4
133.07487	0.6
133.08575	0.6
133.10126	2.4
134.03685	0.6
135.04463	3.1
135.08058	5.8
135.11693	4.3
137.06044	1.9
137.09633	1.0
138.06616	0.6
139.07553	0.7
145.02853	8.5
148.97371	1.5
149.06009	2.3
149.09660	3.2
149.13286	2.3
151.07603	0.6
151.11208	1.2
152.06075	0.4
153.09113	100.0
153.97896	0.7
155.07053	1.5
159.08040	0.5
159.11752	2.2
161.12805	0.4
163.03911	29.4
163.11140	0.7
165.07030	1.0
167.07089	0.4
167.08743	0.4
171.98981	0.9
172.98758	0.4
177.05479	12.0
177.09006	2.0
177.12704	2.3
177.16409	0.5
180.09341	0.7
182.92618	0.3
195.02910	0.9
195.06509	1.3
195.08440	1.0
195.10170	23.5
195.11691	1.7
195.13812	3.9
195.15648	1.2
195.17355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03955	0.9
55.01863	0.6
55.05518	0.7
63.02396	0.6
63.95612	0.4
65.03925	0.5
67.05521	0.7
68.96320	0.5
69.03416	0.6
70.09651	1.6
77.87869	0.3
78.04745	0.4
79.05506	1.6
81.03428	1.4
81.07076	1.3
83.04987	0.4
83.06081	0.4
89.03928	16.1
89.06065	0.8
91.05482	2.2
93.07056	1.7
95.04984	0.9
95.08610	1.0
98.97614	0.5
100.02495	0.9
103.05503	0.7
106.04175	1.9
107.04963	0.8
107.08595	1.8
109.02912	0.9
109.06503	0.8
109.98966	0.5
111.04487	0.6
117.03391	37.3
118.03556	0.5
119.04933	0.5
121.06516	1.5
121.10163	1.3
125.05990	0.6
130.96310	1.6
131.08588	0.6
131.96234	0.4
133.10121	0.5
134.03645	5.0
135.04448	4.8
135.08028	0.8
135.11711	1.3
139.03906	0.7
145.02859	70.8
148.97372	0.8
149.05997	16.8
149.09651	0.8
149.13272	0.6
149.97211	0.6
151.11163	0.4
153.05554	0.5
153.97932	1.1
162.03136	1.6
163.03923	8.9
171.98953	1.5
177.05484	100.0
177.16336	0.6
186.05544	0.9
194.50407	0.4
195.01208	0.4
195.02907	1.0
195.06444	2.1
195.10172	1.5
195.13882	1.0
195.15736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03951	0.6
58.30509	0.4
65.03942	0.6
67.05527	0.6
69.07069	0.6
70.95736	0.7
71.55511	0.4
75.88654	0.4
78.04727	0.6
79.05482	0.9
81.07076	0.8
89.03925	14.9
89.06028	0.8
90.44735	0.5
91.05475	1.8
93.03434	0.5
93.07059	0.7
95.04945	0.5
95.08624	0.5
103.05455	0.8
105.07076	0.5
106.04158	1.5
107.04999	0.9
107.08622	1.1
109.98965	0.6
111.04427	0.7
117.03391	38.5
119.08580	0.5
121.06484	1.2
121.10211	0.4
124.05210	0.4
125.06012	0.6
130.96300	0.5
131.08537	0.5
134.03661	5.1
135.04445	4.0
135.08072	0.6
135.11755	0.5
145.02858	74.9
149.05994	16.0
149.09627	0.9
153.05437	0.5
162.03137	1.5
163.03929	7.7
177.05486	100.0
178.05769	0.5
182.69301	0.5
195.02820	0.5
195.06535	1.6
195.10194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.21022	0.3
53.48074	0.4
55.01870	0.7
55.05517	0.6
56.96554	0.4
57.54802	0.3
63.02384	0.4
65.03939	0.6
67.05502	1.2
68.96333	0.4
69.03442	0.6
69.07066	1.0
70.06602	0.4
71.26680	0.5
72.08149	0.4
78.04700	0.6
79.05487	1.6
81.03412	0.5
81.07069	1.4
83.01346	0.4
83.04980	0.5
84.08143	0.6
85.02902	0.4
85.18806	0.3
89.03922	16.2
89.06046	1.2
91.05478	3.0
93.07030	2.6
95.04969	1.0
95.08606	1.6
98.18874	0.3
98.97564	0.4
99.73753	0.4
103.05470	1.4
105.07026	0.8
106.04174	1.4
107.04968	1.8
107.08617	1.5
109.02889	0.5
109.10145	0.6
111.04445	0.6
111.05540	0.6
111.08073	0.9
117.03388	39.9
117.06991	0.5
118.03492	0.3
119.05009	0.4
119.08590	0.9
121.06503	2.0
121.10146	1.3
125.06010	0.8
125.07095	0.5
130.96300	1.0
131.08598	0.6
133.08531	0.3
134.03638	5.2
135.04430	4.9
135.08058	0.9
135.11685	1.6
137.05972	0.5
139.05032	0.7
139.07539	1.3
145.02855	73.0
148.97366	0.9
149.05991	17.0
149.09604	2.1
149.13257	0.6
151.11147	0.4
153.01897	0.4
153.05444	0.9
153.97882	1.2
162.03139	1.4
163.03915	8.6
163.07562	0.4
167.07007	0.5
171.98926	1.0
177.05478	100.0
177.12779	1.1
178.05891	0.4
186.05516	0.8
195.01135	1.2
195.02846	0.6
195.06432	2.2
195.08244	0.4
195.10167	0.5
195.13812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.41443	0.3
53.74848	0.3
63.02375	0.6
70.65877	0.6
78.04704	0.3
79.05491	0.8
89.03918	14.8
91.05495	1.4
93.03380	0.4
93.07026	0.7
102.83372	0.3
103.05476	1.0
105.03398	0.3
106.04185	1.3
117.03384	38.2
119.04943	0.4
121.06541	0.8
125.06013	0.4
130.96291	0.3
134.03636	5.3
135.04440	3.1
145.02850	72.8
147.04355	0.3
149.05989	15.2
162.03149	1.3
163.03906	7.3
177.05473	100.0
178.05855	0.5
186.05554	0.5
195.06499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03944	0.7
55.01876	0.6
55.05512	0.8
57.03422	0.5
58.78448	0.3
63.02378	0.6
65.03935	0.5
67.05505	0.7
68.96335	0.4
69.03430	0.6
69.07061	0.3
69.64383	0.7
69.64793	1.0
71.04999	0.4
76.05703	0.3
78.04716	0.6
79.05494	1.6
81.03421	0.7
81.07064	1.2
83.04979	0.6
89.03915	16.3
89.06034	1.1
91.05492	2.7
93.03434	0.6
93.07041	2.4
95.04980	1.3
95.08619	0.8
97.06519	0.6
97.10099	0.3
98.97601	0.4
99.04467	0.3
100.02504	0.3
103.05468	1.1
105.07021	1.2
106.04166	1.2
107.04957	1.3
107.08592	1.9
109.06535	0.8
109.98936	0.5
111.04456	0.7
117.03376	39.8
119.04936	0.5
121.06512	2.2
121.10188	1.4
123.05566	0.5
124.05103	0.3
125.05994	0.7
126.81411	0.3
128.02301	0.6
129.04440	0.3
130.96330	0.8
131.08560	0.7
133.10120	0.5
134.03653	5.3
135.04431	4.9
135.05440	0.6
135.08037	1.1
135.11670	1.0
137.05940	0.4
139.07527	0.4
139.55325	0.3
145.02840	73.7
147.04378	1.2
148.97339	1.1
149.05975	18.3
149.09618	1.7
149.13266	0.6
151.11191	0.4
153.05496	0.7
153.09076	0.4
153.97926	0.7
159.11670	0.6
162.03130	1.8
163.03896	8.8
163.07497	0.4
171.98956	0.6
177.05463	100.0
186.05490	1.2
195.02811	0.7
195.06435	1.7
195.08542	0.5
195.10149	0.7
195.13780	0.9
195.15620	0.4
199.43048	0.3
204.06999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0814
Annotation	Cichorine
Peak:m/z	Relative Intensity
53.03954	2.5
55.01866	1.4
55.05512	1.0
56.96566	4.3
65.03937	8.4
67.05498	2.2
69.50137	4.0
70.98135	1.3
79.05497	29.2
80.05013	1.9
81.07061	2.0
82.07397	1.2
82.81130	0.8
83.04977	0.9
87.04468	4.2
89.03918	2.6
91.05486	32.7
92.05820	1.0
93.03416	3.2
93.05804	1.2
93.07052	2.3
94.06555	0.9
95.04972	3.0
95.08620	1.1
96.05299	1.1
98.06068	2.4
105.03394	1.7
105.04511	1.5
105.07050	2.1
106.06564	43.9
107.04963	6.7
107.08616	1.5
108.04486	2.4
108.08134	2.8
109.06506	0.9
110.06034	0.9
115.07572	0.7
116.04982	6.5
117.03390	1.6
117.05812	0.7
118.06548	0.7
119.04961	9.8
119.08565	0.8
120.08115	1.7
121.02883	0.8
121.06512	1.2
132.05179	0.7
133.05298	0.7
133.10147	1.0
134.06023	47.9
134.10492	1.4
135.04416	1.5
135.11702	2.2
136.07562	4.5
141.05659	0.9
144.04457	9.6
145.02844	1.6
146.05991	2.9
148.07545	1.8
149.05994	2.4
149.09608	1.0
150.06241	1.5
152.07077	0.8
159.11710	1.4
162.05513	100.0
163.03867	1.1
163.05890	1.1
164.07071	24.1
165.07034	1.7
165.29510	0.8
166.08665	5.5
176.03447	1.4
176.07085	1.6
177.05463	2.8
180.09343	1.2
194.08138	54.8
194.15393	19.8
195.08362	1.2
195.10132	0.8
195.11705	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	194.0813
Annotation	2-(2-Hydroxyethyl)-4-hydroxyisoindolin-1-one
Peak:m/z	Relative Intensity
51.88682	0.4
55.01861	0.4
55.05501	0.6
61.04358	0.3
65.03951	0.5
67.05499	0.5
69.03432	0.7
70.06580	1.0
72.08144	1.2
79.05482	0.9
80.04989	1.1
81.03405	0.4
81.07045	0.8
84.08128	1.2
85.44717	0.3
86.09715	1.0
87.04462	1.5
89.03918	0.9
91.05499	0.8
93.07044	0.8
94.06581	2.0
95.07320	0.4
96.08108	0.5
100.02468	0.9
102.47792	0.3
103.05473	0.6
105.07032	0.4
106.06542	1.1
107.04959	0.9
108.04463	1.6
108.08116	1.1
110.06077	0.5
110.09733	0.6
117.03421	0.4
118.06573	0.4
120.04433	0.5
120.08111	3.3
121.06490	0.7
122.06047	2.5
123.06810	2.8
124.03938	0.3
124.07600	0.4
129.10245	0.8
130.06531	0.5
131.04951	0.9
133.05260	3.2
133.06238	0.4
134.06010	1.9
135.04425	0.9
135.11684	0.6
136.07582	3.1
137.08345	6.8
138.05511	3.9
138.09132	1.4
139.06232	0.5
145.02858	1.2
147.06712	1.1
148.03928	0.6
148.07581	20.6
149.05954	1.3
149.07971	0.5
150.05507	16.8
151.06172	0.4
151.48256	0.3
152.07034	0.8
158.06184	0.5
159.11670	0.5
163.03929	1.1
163.06262	0.8
164.07120	2.2
166.04958	1.4
166.08649	24.1
168.06616	0.4
175.11963	0.6
176.03468	1.8
176.07077	20.4
176.10609	0.7
177.05498	2.8
177.07443	0.9
192.06628	0.5
194.08133	100.0
194.15352	6.7
195.08417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05509	10.1
57.07082	2.1
67.05513	8.1
69.07082	31.5
71.05007	14.4
79.05486	4.0
81.07068	20.9
83.05003	2.5
83.08617	1.9
85.06559	10.7
90.99651	1.8
91.05484	6.2
93.07053	27.1
95.04984	33.6
95.08620	18.0
97.06563	3.7
97.10188	10.8
99.08096	6.4
105.07047	10.0
107.08610	34.5
109.06531	100.0
109.10175	19.5
111.08087	6.2
111.11717	5.0
119.08594	29.9
121.10147	6.4
123.08068	6.1
123.11723	21.2
126.19866	2.0
133.10152	22.8
135.11714	36.4
137.09633	14.2
147.11723	1.9
147.51512	1.8
149.13277	11.3
151.11186	6.0
152.90448	1.7
175.14845	46.8
193.15907	89.9
205.91995	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43520	0.2
56.11277	0.3
57.95783	0.2
71.40479	0.4
72.93774	0.4
75.23795	0.2
77.67860	0.3
77.73812	0.2
79.05502	11.1
87.00842	2.3
91.05495	0.7
91.35519	0.2
93.07041	0.5
93.92629	0.2
94.02900	0.2
95.04964	0.3
96.04534	0.3
105.07047	0.5
106.06561	100.0
107.04975	0.7
117.07149	0.3
118.06554	1.5
118.07314	0.4
120.08121	0.5
121.06559	0.3
123.88462	0.3
124.03968	0.8
131.04878	0.2
132.04456	7.2
132.08961	0.3
132.95844	1.1
133.05235	0.4
134.06053	0.3
136.07588	0.4
146.06015	5.8
147.06689	0.4
148.07599	1.0
148.11220	0.7
150.96907	2.0
153.27481	0.2
160.03880	0.3
160.05070	4.3
164.07080	0.8
174.05460	1.4
177.07951	0.4
191.97145	0.3
192.06465	6.6
192.10115	2.3
192.13748	3.8
192.17471	2.2
193.04994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03941	0.9
54.62824	0.8
55.05513	12.5
57.07065	3.7
59.04975	2.8
64.72598	0.9
67.05504	18.8
69.03429	8.5
69.07071	14.1
71.04980	3.2
71.06219	1.5
71.08612	0.9
79.05504	6.8
81.06597	1.3
81.07056	24.1
83.04983	15.7
83.08629	8.8
85.06525	3.9
91.05470	10.0
93.06491	1.4
93.07049	19.0
95.04936	1.9
95.08611	48.2
97.06538	3.1
97.10143	2.1
99.08080	2.1
103.05446	1.5
105.07031	21.2
106.43345	0.9
107.08597	44.3
109.06521	13.2
109.10159	66.3
111.08087	8.8
115.05463	1.2
115.08583	0.9
117.07007	2.1
119.08581	59.1
121.06527	0.8
121.10151	29.3
123.08079	26.6
123.11709	7.8
125.09624	2.3
128.96411	0.9
131.08568	1.9
133.06485	2.3
133.09120	2.0
133.10135	40.8
135.11694	100.0
137.09627	20.8
137.13214	1.0
138.10408	3.9
145.10092	1.1
146.97438	1.7
147.11696	7.3
149.13268	17.3
151.11171	7.6
151.14830	7.9
157.10162	1.1
161.05652	0.9
165.16365	2.6
169.99078	1.9
175.11215	1.3
175.14830	47.3
193.04950	3.8
193.08566	1.6
193.12228	2.9
193.15884	64.7
212.40926	1.0
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.31059	0.7
55.05516	4.5
63.73944	0.8
66.55772	0.7
67.05502	4.0
67.59075	0.7
68.47565	0.7
69.03433	15.8
69.07070	5.0
71.04966	2.1
71.37937	1.6
79.05482	4.2
81.07059	5.0
83.04984	4.2
83.08596	1.1
85.06544	2.2
91.05492	4.9
93.07051	5.1
95.04945	2.1
95.08607	14.9
97.06532	4.1
105.07037	10.3
107.04919	0.8
107.08598	15.9
109.06522	11.7
109.10164	6.7
111.08061	1.2
115.05385	0.7
117.07011	2.3
119.08571	5.7
121.06489	3.2
121.10148	12.8
123.08081	4.4
124.07631	0.7
129.07014	1.3
131.08565	13.7
133.06526	1.2
133.10127	10.9
135.08060	17.9
135.11697	5.7
136.08812	1.1
143.08568	2.0
145.10141	7.9
147.11719	6.4
149.09636	13.3
149.13260	4.9
150.10378	2.8
158.10883	6.5
161.09633	2.1
163.11160	4.9
163.14832	4.8
173.13268	38.1
176.11972	2.6
191.14311	100.0
192.14650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
54.38136	1.4
55.05495	4.7
57.07080	2.2
65.03934	1.5
67.05504	24.3
69.03427	2.3
69.07058	7.4
70.56439	2.8
70.56812	3.1
71.04607	2.2
71.04996	44.6
79.05493	13.1
81.07066	12.5
83.04980	2.7
85.06544	17.8
91.05482	18.7
93.07050	17.4
95.04967	9.1
95.08604	10.1
97.06548	16.7
105.07037	41.3
106.61557	1.5
107.04972	7.5
107.08600	63.2
107.56744	1.4
109.06528	13.0
109.10161	55.2
111.08072	4.7
116.06216	2.0
117.07021	5.4
119.08588	17.9
121.06540	6.7
121.10150	87.0
123.07203	2.7
123.08070	40.7
129.07022	2.4
131.08571	43.7
133.07527	1.7
133.10141	32.4
135.08061	27.7
143.08585	6.1
144.09322	2.4
145.10107	11.9
147.11685	24.5
149.09612	9.4
149.13235	11.8
156.02498	1.3
158.10916	8.2
163.11174	3.8
173.09703	2.0
173.11769	3.1
173.13268	55.1
191.10663	4.0
191.14319	100.0
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	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
52.08423	1.4
53.03955	2.3
55.01894	2.3
55.05491	2.7
65.03925	2.1
67.05504	22.1
69.03436	2.3
69.07067	6.6
69.19616	12.7
69.20020	3.9
71.04991	27.7
79.05500	16.3
79.91429	1.6
81.07056	11.5
83.08601	4.0
85.06557	9.0
90.20358	1.5
91.05468	15.7
93.07021	10.2
95.04970	12.5
95.08601	13.4
97.06521	5.5
99.26201	1.7
99.72527	1.6
105.07028	28.5
107.08593	36.1
109.06520	75.0
109.10155	93.7
111.08075	2.8
117.07022	6.9
119.08601	10.5
121.06507	5.9
121.10135	28.5
123.08069	20.2
129.07013	2.6
131.07593	3.0
131.08568	42.5
133.10126	22.4
135.08055	91.6
143.08563	3.4
145.10136	9.1
147.11713	9.7
148.08772	2.8
149.09590	10.2
149.13292	7.9
150.10469	2.6
158.10947	8.3
173.13264	50.1
191.14311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	0.5
55.05511	3.0
56.85675	0.3
57.07069	0.7
65.56995	0.3
67.05511	2.3
69.03430	6.8
69.07069	3.2
71.36324	0.5
72.78615	0.3
77.03943	0.3
79.05497	4.3
81.03416	0.4
81.07063	4.4
83.04989	1.2
83.08618	0.8
91.05485	4.4
93.07050	4.0
95.04958	0.6
95.08610	2.0
97.06566	0.5
103.05429	0.4
105.07037	9.5
107.04964	2.8
107.08598	15.0
109.06506	1.1
109.10159	5.9
115.05453	0.8
117.06319	0.3
117.07058	1.2
118.07807	0.5
118.54620	0.3
119.08575	3.3
121.06543	1.4
121.10152	11.1
122.07279	2.7
123.08074	1.1
129.07022	0.5
130.07803	0.4
131.08591	3.4
133.10135	100.0
134.10522	0.3
135.08063	3.4
135.11737	1.4
137.09622	16.1
143.08575	1.0
144.09402	0.5
145.10094	1.8
147.11714	1.7
149.09624	0.9
149.13261	11.2
158.10953	2.3
163.14848	1.5
163.49391	0.3
173.13268	8.5
191.14311	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.27188	1.1
53.78774	1.0
55.05510	2.8
67.05515	17.1
69.03421	2.3
69.07055	5.7
71.04997	47.2
71.38940	2.2
73.09262	1.3
79.05502	9.1
81.07071	11.0
83.04984	2.7
85.06090	1.4
85.06551	17.5
91.05494	15.6
93.07051	13.8
95.04977	7.3
95.08614	10.8
97.06532	13.2
99.08085	1.6
105.07045	31.7
107.08604	53.7
109.06538	12.3
109.10168	46.0
111.08073	3.7
115.54312	1.3
117.07018	3.7
119.08590	15.6
119.60419	1.4
121.06525	6.9
121.10154	75.1
123.08075	41.3
129.07018	2.9
131.08569	35.9
131.09538	1.9
133.10139	31.9
135.08061	21.0
143.08540	3.0
145.10135	12.7
147.11691	24.1
149.09624	8.7
149.13278	14.7
158.10927	7.2
163.11232	2.1
163.14822	1.9
173.13275	50.3
191.10641	3.8
191.14323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03938	2.3
55.01852	1.0
55.05493	3.3
56.98122	1.1
57.07060	1.4
59.61219	1.1
65.03931	2.6
65.33747	1.3
67.05505	27.1
69.03426	2.7
69.07085	7.1
71.04993	55.9
71.38967	1.8
73.30983	1.0
79.05503	10.4
81.07069	13.4
81.73428	0.9
83.04985	2.6
83.08614	1.7
85.06093	1.1
85.06549	16.6
91.05489	17.1
93.07047	22.0
95.04974	5.9
95.08609	12.3
97.06531	14.4
99.08092	1.3
103.05474	1.1
105.07033	46.2
107.04958	1.7
107.08594	68.9
109.06512	14.6
109.10157	55.6
111.08048	3.9
117.06989	3.5
119.05966	1.5
119.08581	17.6
121.06514	7.4
121.10145	86.5
123.08067	58.7
129.07016	3.6
131.08569	46.4
133.06432	1.2
133.07626	1.0
133.10129	35.2
135.08043	26.2
135.11667	1.6
143.08543	3.7
144.09354	1.9
145.10130	14.5
147.11679	28.6
149.09642	8.9
149.13261	13.6
158.10873	8.7
163.11197	1.5
164.63873	1.3
171.11688	1.5
173.13269	52.7
191.14308	100.0
198.42563	1.0
202.64212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01868	3.1
55.05518	13.4
56.96552	1.7
57.03432	1.5
57.07074	8.0
60.02007	1.5
64.44189	1.3
65.03938	5.0
67.05511	17.6
69.03445	10.6
69.07075	19.3
70.08292	6.2
70.08665	2.4
71.04989	4.5
71.13842	1.4
77.03908	2.8
77.56314	1.3
79.05508	31.0
81.07063	18.9
83.04974	6.9
83.08620	3.9
85.06552	4.8
91.05493	74.4
93.06491	2.8
93.07053	33.3
95.04984	8.1
95.08626	9.9
95.25050	1.4
97.06545	4.9
98.20834	1.9
103.05466	6.2
105.04533	1.4
105.07041	89.0
105.81563	1.9
107.04977	5.1
107.08605	66.4
109.02898	3.4
109.06528	13.0
109.10146	7.2
115.05457	10.3
116.06230	9.6
117.06237	2.3
117.07040	34.6
118.07765	1.4
119.06023	2.2
119.08593	65.1
121.06543	8.5
121.10156	61.7
123.08106	7.0
123.11701	1.9
128.06189	9.2
129.07019	31.4
130.07835	13.9
131.08582	100.0
132.09366	4.1
133.10150	63.0
135.08075	29.4
135.11694	5.1
137.09688	1.8
141.07074	1.5
142.07796	3.6
143.08569	53.4
144.09351	20.0
145.06558	3.6
145.10147	64.0
146.06030	2.5
147.08128	1.9
147.10521	2.1
147.11702	39.2
148.08777	1.5
149.09674	11.1
149.13284	31.5
152.70805	1.5
155.62982	1.9
156.09364	3.9
157.10175	3.0
158.10930	52.5
160.05083	18.6
161.09677	2.2
163.11195	5.8
171.11678	3.1
173.09657	4.1
173.13280	80.8
176.11873	1.8
184.92711	1.9
190.07765	4.0
191.05360	4.1
191.06981	3.3
191.08508	14.5
191.10529	9.3
191.14328	81.8
192.07698	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03930	0.4
55.01871	2.4
55.05508	1.5
55.66799	0.5
57.07071	0.5
65.03949	0.5
67.05504	4.0
69.03439	2.8
69.07072	2.7
71.05003	3.7
79.05494	7.6
81.07054	3.5
83.04982	1.4
83.08620	1.1
85.06538	1.7
91.05481	10.8
91.06029	0.8
93.07044	6.5
95.04974	11.8
95.08611	8.3
97.06538	4.8
98.20709	1.1
103.05472	0.6
105.07040	11.2
105.07697	1.0
107.01156	0.5
107.04969	4.7
107.08602	23.8
108.90493	0.7
109.06522	6.1
109.09472	0.7
109.10166	6.7
111.08054	0.8
115.05454	1.8
117.07022	6.0
119.06087	0.6
119.08584	4.1
121.06515	2.9
121.10152	10.2
123.08094	3.0
129.07022	1.4
131.05029	0.5
131.08585	9.2
133.06538	1.0
133.10135	8.4
135.08061	100.0
135.71912	0.5
143.08583	1.5
144.09360	0.8
145.06534	0.5
145.10127	5.8
147.08047	1.3
147.11684	5.1
148.08826	0.6
149.09636	5.2
149.13246	4.8
158.10936	3.5
161.09589	1.8
163.11203	1.3
163.14844	1.0
171.11760	0.5
173.09692	2.5
173.13264	16.0
176.11986	2.5
191.10686	5.2
191.14317	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05512	3.3
57.07075	0.9
67.05503	3.4
69.03437	9.1
69.07067	2.7
70.96175	1.4
79.05498	5.1
81.03413	0.8
81.07061	4.3
83.04973	1.4
83.08627	1.6
91.05474	5.9
93.07046	4.5
95.08603	1.0
105.07034	9.5
107.04957	2.4
107.08599	17.8
109.06525	2.1
109.10161	7.0
115.05441	0.8
117.07043	2.2
119.08588	3.8
121.06504	1.8
121.10141	11.5
122.07298	2.6
123.08064	1.8
131.08574	4.8
133.10136	100.0
135.08052	4.9
135.11716	2.0
137.09613	22.8
143.08569	2.0
145.10126	4.2
147.11707	2.7
149.09596	1.3
149.13280	8.8
158.10915	2.6
160.05000	1.2
163.11140	0.8
163.14815	2.4
172.29523	0.7
173.13255	10.5
191.14311	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	191.1067
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
50.48349	0.7
51.76483	0.8
53.03948	4.3
53.12910	0.7
55.01877	6.3
55.05511	6.6
56.42622	0.8
57.03422	1.4
57.07055	1.5
60.33396	0.8
65.03928	2.7
66.21992	0.9
67.05506	18.3
69.03427	8.3
69.07053	3.8
71.01344	1.2
71.04998	11.5
71.52364	1.3
79.05499	30.2
79.05969	1.5
81.07059	36.7
83.04981	8.4
83.08625	1.5
85.02885	2.6
85.06532	2.5
91.05482	28.7
93.06485	1.6
93.07050	27.7
95.04379	1.8
95.04973	32.1
95.08614	11.9
96.05753	1.2
97.06535	4.5
103.05457	2.3
105.04499	1.2
105.07035	36.0
107.04976	6.3
107.08597	42.5
108.90428	2.2
109.02892	6.6
109.05813	1.6
109.06525	28.8
109.10169	12.1
111.04443	6.1
115.05499	4.5
116.06221	2.0
117.07021	20.3
119.06098	1.4
119.07800	1.6
119.08576	16.5
121.06506	14.9
121.10152	21.5
123.08054	5.5
126.74886	0.8
128.06255	2.5
129.07010	7.3
130.07797	12.5
131.04941	1.1
131.08578	26.2
133.06529	1.9
133.10135	16.1
135.08058	100.0
135.11684	9.2
143.08540	5.5
144.05693	1.1
145.06468	4.1
145.10129	52.3
147.08060	7.8
147.11690	7.5
148.08792	1.2
149.05890	1.1
149.09634	14.5
149.13272	6.2
153.07063	1.2
155.08540	4.8
158.07245	5.5
158.10947	4.0
160.05066	3.2
161.09576	3.5
163.07529	1.8
163.11189	33.2
163.14825	1.0
173.09637	19.0
173.13266	20.7
173.14713	1.5
174.09808	1.0
191.03418	1.5
191.06917	1.9
191.08525	1.5
191.10674	36.3
191.14313	52.2
199.17686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.034
Annotation	Ayapin
Peak:m/z	Relative Intensity
53.03928	2.9
55.01865	1.3
55.05509	1.3
56.96556	0.9
58.07145	0.8
59.04987	1.0
65.03629	1.0
65.03943	16.9
65.60620	0.7
67.05483	2.2
68.96782	0.7
69.03407	3.3
69.07048	1.5
71.04971	1.6
72.93768	2.8
73.69475	0.7
75.02362	6.1
79.05083	1.0
79.05495	16.2
81.03409	0.8
81.07050	2.3
83.04980	1.5
83.08617	0.9
83.31043	0.8
84.08113	0.9
86.09694	1.2
89.03924	12.6
90.94857	4.0
91.04993	1.2
91.05489	18.2
93.03427	7.4
93.07056	4.1
95.01339	1.1
95.04932	2.7
95.08616	1.4
97.02887	1.9
97.06515	1.2
103.05466	1.1
105.04498	1.0
105.07034	5.7
107.01317	4.7
107.04962	11.1
107.08574	5.7
109.06452	2.5
109.10119	1.7
110.07145	0.9
111.04420	3.5
113.96421	0.9
117.03390	8.4
117.07029	4.3
118.06517	3.2
119.06856	1.9
119.08562	2.5
120.04424	1.2
120.08128	1.2
121.02861	1.2
121.03954	2.0
121.06511	2.6
121.10124	3.1
123.08054	1.2
131.08575	4.6
132.95847	1.8
133.10118	5.2
135.04430	6.4
135.08058	3.7
135.11630	1.5
143.08615	0.8
145.02815	2.8
145.06519	1.5
145.07545	6.6
145.10114	6.6
146.06010	7.5
147.05420	1.0
147.06404	1.0
147.11673	1.4
148.03932	1.4
148.06621	1.0
149.01143	1.1
149.05901	1.5
149.06966	1.2
149.09573	1.9
149.13239	1.4
149.91563	0.7
149.96082	3.6
150.96947	0.8
156.07690	0.9
162.05487	0.9
163.03928	4.6
163.07529	2.0
163.11145	3.2
163.14754	0.8
167.97159	3.1
173.02324	0.7
173.03510	7.6
173.07158	4.1
173.09587	2.9
173.13255	4.1
174.05560	5.8
178.02583	11.0
191.03357	100.0
191.10530	5.3
191.14296	13.3
192.01201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28407	0.6
54.91766	0.6
55.05507	0.9
56.87134	0.6
59.04975	1.0
60.04531	1.9
65.14464	0.6
65.48017	0.8
67.05521	2.1
69.07068	2.7
69.62347	1.5
69.62756	2.9
70.01791	0.7
70.06598	81.2
71.04998	100.0
72.75228	0.7
81.03441	1.7
84.08126	0.9
85.02885	0.8
85.06554	1.8
88.07636	42.2
95.08646	1.2
96.63999	0.7
98.06058	4.9
98.09644	0.6
99.04466	2.1
99.08141	0.7
100.07644	1.1
109.10197	4.0
112.07613	2.1
112.28617	0.8
113.06014	4.3
116.07105	3.7
130.06590	2.1
130.08650	94.6
131.06042	1.1
131.07047	16.4
137.09557	0.8
144.10249	1.8
148.09697	22.5
154.12331	1.8
158.08127	0.8
172.09752	0.9
172.13315	4.0
190.05000	1.3
190.08757	1.5
190.10756	9.6
190.14438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1074
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
56.05053	1.4
57.03429	1.0
57.07084	5.7
58.06604	0.9
60.04535	7.3
61.82880	0.7
67.05500	14.2
69.07061	0.7
69.59319	4.3
70.06599	2.0
71.05003	3.1
72.08186	1.0
73.08469	1.1
78.53609	0.7
81.12122	0.6
84.04495	1.0
84.08147	55.9
85.06547	100.0
86.09689	1.1
87.10051	2.3
95.04976	1.9
98.20737	0.7
102.09187	75.4
110.91277	0.6
112.07578	1.9
126.09174	1.2
130.08649	2.1
131.07037	1.1
144.10202	93.9
148.09691	23.2
148.10896	0.9
148.35921	0.7
158.04414	0.8
168.87897	0.6
170.90311	0.6
174.05466	1.1
190.05009	0.9
190.09013	0.9
190.10765	7.1
200.52983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
55.05499	0.2
62.42421	0.2
69.59175	0.4
69.59582	1.3
76.77356	0.2
80.66534	0.2
89.03934	0.8
98.20801	0.4
109.65512	0.3
116.04984	2.4
130.06586	0.2
144.04457	1.7
162.05515	100.0
163.05861	0.8
172.07637	0.2
185.07060	0.2
190.05003	45.4
191.05295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52698	0.7
55.01852	1.0
55.05508	6.7
62.47065	0.8
67.05486	3.9
69.03086	1.4
69.03429	18.1
69.07070	5.5
69.68267	4.7
79.05479	7.2
81.07038	5.9
83.04967	3.3
91.05473	15.0
93.07041	9.5
95.04979	2.3
95.08591	1.9
98.20847	1.4
103.05466	1.4
105.07029	41.7
107.04977	1.3
107.08595	6.4
109.06499	2.6
115.05419	1.9
117.07030	7.3
119.04940	7.8
119.08579	59.7
121.06515	4.0
121.10146	2.8
123.08060	1.0
128.06236	4.9
129.07021	6.3
130.07814	1.6
131.08583	7.4
132.05775	0.9
133.06493	8.5
133.09126	1.1
133.10126	19.2
135.08046	10.3
141.06966	2.9
142.07744	3.4
143.08569	15.0
144.05637	1.0
145.06454	2.9
145.10118	10.7
146.07219	1.6
147.08044	21.8
147.11684	37.9
155.08521	1.2
156.09341	23.9
159.08127	5.2
159.11665	5.5
160.08818	3.9
161.09627	10.2
161.13254	35.8
171.11688	37.0
172.12033	1.1
174.10384	12.9
189.12735	100.0
190.13020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01856	0.6
55.05511	2.8
57.03422	0.5
57.07063	0.5
67.05486	1.9
69.03438	6.6
69.07083	2.7
69.62640	2.2
79.05492	4.1
81.07069	3.4
83.04974	2.1
85.02892	1.0
91.05492	8.2
93.07049	3.9
95.04952	1.3
95.08607	1.1
98.21490	1.1
103.05466	1.1
105.07036	25.2
107.04976	0.9
107.08576	3.2
109.06496	1.8
115.05440	1.3
117.07016	4.3
119.04952	4.5
119.08588	31.3
121.06467	1.2
121.10112	1.6
128.06229	4.8
129.07019	6.8
130.07800	2.5
131.08571	5.1
132.09351	0.9
133.06532	5.5
133.07492	0.8
133.10132	10.3
135.08058	4.8
139.85675	0.5
141.06990	4.4
142.07762	1.6
143.07513	0.8
143.08565	9.7
144.09372	0.8
145.06488	1.9
145.10136	13.2
146.07265	1.8
146.10898	1.3
147.08057	14.7
147.10521	1.1
147.11696	21.9
155.08572	2.0
156.09357	36.1
157.06520	2.0
159.04436	0.8
159.08049	5.5
159.11705	8.3
160.08937	2.9
161.05971	0.8
161.09612	6.2
161.13261	16.1
171.11697	45.2
173.09665	0.8
174.06810	4.9
174.10423	11.4
187.11096	0.6
189.09132	12.6
189.12747	100.0
189.16373	2.1
190.13066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	19461-38-2
Peak:m/z	Relative Intensity
51.95446	0.4
53.03929	0.4
55.01880	4.7
55.05513	1.4
55.18458	0.4
56.72192	0.4
56.96565	1.5
57.03436	0.8
60.04516	0.5
67.05506	1.1
67.51760	0.4
69.03436	1.6
69.07082	1.8
70.06598	5.4
71.05013	6.0
71.51502	0.6
71.62357	0.4
72.08167	0.5
73.02922	0.6
75.05594	0.6
76.07671	0.5
79.05485	1.5
81.03446	1.0
83.05000	1.2
84.04521	0.7
84.08157	0.8
85.02903	0.7
86.09717	100.0
87.04475	2.0
88.07641	2.0
90.01778	0.6
91.05497	1.6
95.05001	0.6
95.08616	0.5
97.02901	1.6
97.10161	0.5
98.97614	0.5
99.04440	0.6
101.02400	0.5
105.03413	0.5
105.07050	1.9
105.54527	0.5
107.08627	0.7
109.06577	0.8
109.10163	1.2
110.10540	1.2
111.04462	1.1
115.03947	11.7
115.05510	0.4
117.07030	0.6
119.08586	1.3
121.10217	0.5
125.02387	1.1
125.09697	0.6
128.06247	0.6
130.08643	5.3
131.07040	1.0
131.08617	0.9
132.10222	40.5
133.06529	1.0
133.10211	0.5
137.09709	0.5
143.03448	0.6
143.08632	1.5
143.11815	25.8
145.10136	0.7
147.08096	0.6
147.11687	0.9
148.09761	1.3
153.05479	0.6
156.09370	0.7
161.04730	0.9
161.06061	1.5
161.09628	0.5
171.02892	1.1
171.11682	1.5
172.13332	0.7
189.05496	1.6
189.09032	0.9
189.12495	4.7
190.10844	0.7
190.14409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.8964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
55.05511	6.5
56.05037	11.2
57.03429	3.1
57.90735	1.1
58.06605	5.6
59.04995	2.1
60.04528	6.0
60.08165	35.5
60.43005	1.3
65.03938	1.1
67.05486	3.8
69.03429	3.8
69.07039	2.1
69.95592	2.4
69.95992	3.6
70.06590	11.8
72.04510	3.0
72.08157	16.6
74.07187	2.1
74.38517	1.1
78.95643	22.4
80.04987	1.2
81.03429	5.7
82.06550	3.5
83.01337	1.8
83.04975	9.7
84.04512	15.5
84.05292	1.4
84.08144	83.9
85.02899	8.8
85.04845	1.4
85.06573	1.8
86.06038	2.6
86.09705	16.5
87.04461	4.1
91.05482	1.9
94.93017	100.0
95.01341	1.6
96.08117	2.7
98.06075	2.2
98.98455	2.2
100.03976	1.5
100.07626	16.0
101.02362	3.1
101.06023	5.7
101.07944	1.6
102.05547	9.5
109.06527	1.2
109.10098	1.7
109.91721	9.5
110.06022	2.6
111.04423	1.6
111.05676	1.1
112.03933	1.4
112.07578	4.8
112.11221	3.9
114.05555	5.2
114.09172	9.4
115.03931	3.8
115.05390	1.0
116.07137	2.4
117.07073	1.2
119.01894	1.6
123.69411	1.1
124.07562	3.2
125.05936	1.1
126.05514	1.4
126.09166	25.6
127.03922	1.7
128.06229	1.8
128.07069	7.0
128.10707	1.1
129.05482	3.1
129.10234	3.8
130.05009	49.1
130.08647	24.1
132.90652	1.2
142.05013	8.9
142.08618	10.9
143.05360	1.8
143.08859	1.5
143.11801	2.4
144.11322	1.3
144.13811	2.1
146.08124	19.1
147.08406	2.1
157.01344	2.1
161.09619	1.4
170.04460	1.3
170.06316	1.6
170.08122	3.7
170.11775	2.3
171.14943	10.4
172.09587	1.3
188.09161	8.9
188.12825	9.5
188.17593	12.0
188.89645	5.6
189.05345	1.9
189.07277	1.5
189.09068	1.5
189.12148	9.4
189.15985	10.8
189.17728	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	188.1283
Annotation	8-Amino-7-oxononanoate
Peak:m/z	Relative Intensity
53.03931	0.9
53.26541	0.9
55.01873	4.4
55.05513	26.5
56.05020	1.2
56.96564	1.7
57.03427	1.3
57.07072	4.9
58.06589	2.7
60.04514	1.7
67.05504	10.1
69.03426	6.0
69.07074	6.3
69.56209	0.8
70.06578	1.7
71.04966	1.1
71.51626	0.9
72.04486	1.9
72.08113	1.3
79.05497	18.4
81.07048	9.2
82.06556	2.6
82.07351	0.9
83.04964	3.7
83.08622	29.6
84.04055	0.8
84.04515	9.4
84.08131	2.5
85.02912	1.5
86.06071	6.3
87.04474	2.1
88.02203	1.0
91.05466	2.3
93.07047	6.1
95.08601	1.1
96.08105	0.9
97.10175	42.2
98.10544	1.1
100.07635	5.1
100.11255	6.2
105.07047	1.4
105.81724	0.8
105.94383	1.1
107.08599	39.4
109.10160	5.0
111.08068	2.3
114.09193	0.9
117.06993	3.3
118.06606	3.9
119.08574	1.1
122.05225	0.9
124.10398	1.3
124.11234	17.6
125.09637	45.2
128.07079	2.5
129.07005	1.0
133.13475	0.8
135.08066	27.7
142.08624	3.2
142.12279	23.0
143.07317	0.8
143.08537	1.6
144.08061	1.1
145.01712	0.9
146.05984	4.4
146.08096	2.1
150.79152	0.9
152.07057	1.3
152.10716	6.9
153.09117	19.8
156.09300	1.1
160.07553	1.8
160.09753	1.0
161.09683	1.1
170.03632	1.7
170.05989	1.6
170.11775	100.0
171.10188	2.7
171.11813	2.7
188.07094	2.8
188.09201	3.5
188.16490	1.5
189.09140	1.3
189.11171	2.0
189.12759	3.6
208.08839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
55.05515	17.2
56.05039	23.8
56.96571	2.0
57.03434	1.9
60.04532	23.1
65.03939	2.4
67.05505	11.7
69.66340	2.0
69.66753	2.4
72.04525	1.9
73.06551	1.6
80.05012	1.0
82.06580	9.9
83.04987	30.0
84.04518	4.1
84.08141	0.9
93.03428	1.7
97.99191	1.0
98.06072	2.4
98.20818	1.3
100.07622	43.8
101.06026	31.1
101.06694	1.5
110.06029	2.8
111.04452	3.0
114.05533	2.1
128.07097	2.7
129.05486	9.2
142.08643	47.0
146.08131	100.0
170.02740	2.0
188.03764	13.8
188.07420	1.6
188.09184	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
61.95955	0.4
62.27102	0.4
69.64831	2.4
91.05474	2.9
100.70374	0.4
100.90536	0.4
103.05447	0.6
104.24847	0.3
115.05476	3.8
117.05758	0.7
117.07012	2.9
118.06548	57.1
119.06932	0.6
128.05002	0.5
132.08073	0.5
142.06526	5.1
143.07304	9.3
144.04509	0.9
144.08095	20.8
145.06572	0.7
146.06013	100.0
147.06271	0.9
155.06015	0.5
160.07542	0.8
170.06018	8.6
188.07068	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.63469	0.4
63.24937	0.4
70.75384	0.4
70.75694	0.8
75.43440	0.5
75.65948	0.4
91.05460	3.2
98.21506	0.6
100.78631	0.4
103.05495	0.6
115.05463	5.1
117.05756	1.1
117.07027	5.0
118.06547	60.6
119.06927	0.6
132.08069	0.5
142.06529	5.3
143.07307	10.0
144.04468	0.7
144.08098	24.2
145.06517	0.7
146.06015	100.0
148.65630	0.4
155.06033	0.5
160.07565	0.8
170.06030	7.6
176.65886	0.4
188.07071	25.6
198.22337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0555
Annotation	(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate
Peak:m/z	Relative Intensity
54.03464	1.1
55.01868	0.3
55.05500	1.2
56.05040	17.9
56.96540	0.8
57.03434	0.6
58.06593	1.0
60.04523	1.3
66.03463	3.6
67.05499	0.4
68.05035	0.8
68.99794	0.7
69.03416	0.5
69.07061	0.4
70.06593	0.9
71.51060	0.4
72.04507	0.5
72.08162	1.7
81.03411	0.7
81.07040	0.4
82.02959	0.8
82.06578	1.7
83.04957	1.0
83.11289	0.4
84.04509	9.1
84.08143	2.2
85.02895	1.1
86.06046	1.1
86.09705	0.8
87.00838	5.7
87.04482	0.6
96.04495	4.3
96.08114	2.2
100.03992	2.3
100.07619	3.2
101.06039	0.8
102.05550	12.4
110.06040	0.9
111.04456	0.3
112.11209	0.4
114.05540	41.1
114.09149	1.6
124.03965	2.5
124.07598	1.4
128.02187	0.3
128.07114	2.9
129.05554	0.4
130.08635	0.4
131.11813	0.5
142.05006	100.0
142.08621	4.6
142.12268	0.8
143.05344	0.4
146.08130	3.6
152.03416	1.8
152.10704	0.7
170.04498	29.9
170.08125	5.1
171.14973	1.9
188.05569	1.0
188.07251	0.7
188.09198	3.7
188.12793	1.9
188.17650	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	187.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28865	0.9
55.05516	11.9
56.96564	2.0
57.03440	1.6
57.07070	3.3
67.05511	32.4
69.03429	3.2
69.07076	13.2
71.03251	2.7
71.04998	23.5
71.08615	1.0
79.05496	3.9
81.03406	3.2
81.07067	43.3
83.08620	11.8
84.04504	1.1
84.08144	8.6
85.02909	3.1
85.06554	32.0
85.08484	6.8
85.10171	1.8
88.02227	15.6
91.05481	2.8
93.07036	2.3
95.05005	1.3
95.08614	100.0
99.04453	1.8
99.08139	5.3
105.07034	3.7
105.44191	0.9
107.08627	1.8
109.06482	1.3
109.10164	25.4
113.09624	1.5
115.05465	2.7
117.07011	2.6
118.06522	1.1
119.08601	1.7
123.08069	1.1
123.11722	3.9
125.13246	1.5
126.12762	2.5
127.03960	1.6
127.13167	6.6
129.07037	1.3
131.04947	4.2
131.08566	6.4
131.48087	1.6
137.98392	1.0
140.48628	1.3
141.07103	1.2
143.04950	1.6
143.08492	1.3
144.05753	1.8
144.09337	1.1
145.10130	14.1
151.03947	1.1
151.14824	6.4
157.10130	1.1
159.06943	2.2
159.08133	3.0
159.11740	6.1
169.10068	2.3
169.15875	18.4
172.05186	1.0
172.08847	3.3
172.12444	1.1
173.00800	1.9
187.02403	1.7
187.03929	9.0
187.06013	2.1
187.07549	7.0
187.11191	9.7
187.12759	5.0
187.14940	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05510	1.8
57.07074	3.6
65.41611	0.6
67.05506	2.2
69.07075	0.7
71.08860	1.0
79.05502	2.5
81.03420	1.3
81.07051	4.8
82.53109	0.5
83.08625	1.9
84.08149	1.6
85.08499	1.6
88.02221	7.3
91.05470	4.8
93.07043	1.6
93.42408	0.5
95.04995	1.4
95.08611	0.6
105.07031	11.3
107.08577	0.6
115.05447	1.6
116.06207	1.2
117.07019	8.4
119.08579	12.1
127.13155	1.7
128.06229	2.0
129.07002	5.2
130.07774	6.7
131.04921	0.6
131.08572	15.0
133.10130	1.3
141.07014	1.7
142.07788	2.7
143.08578	7.9
144.09338	5.2
145.10126	100.0
146.10417	0.9
152.71074	0.6
153.07040	1.0
153.89433	0.5
154.07755	1.8
157.10133	8.3
158.10957	4.4
159.08034	1.8
159.11694	21.6
169.10120	2.9
170.10872	0.6
172.08784	1.6
172.12488	6.0
187.03979	0.7
187.11220	13.2
187.14821	57.7
187.22490	1.6
196.74699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.31996	0.3
51.65452	0.3
53.03950	0.6
55.01876	0.7
55.05517	1.3
56.96572	0.8
57.07084	3.6
62.82751	0.4
67.05508	2.4
69.03441	1.2
69.07065	0.7
71.05025	0.5
71.08646	0.4
71.41187	0.5
78.11442	0.3
79.05505	1.7
81.03435	1.1
81.07070	3.6
83.08624	1.6
84.04562	0.4
84.08155	2.8
85.02910	1.1
85.08474	1.8
88.02223	6.4
90.20854	0.4
91.05489	4.1
93.07070	0.9
94.30080	0.4
95.04990	0.9
95.08618	1.2
97.02898	0.4
97.56981	0.3
99.00805	0.5
105.03413	1.1
105.07043	9.3
105.07696	0.7
106.00241	0.3
107.08603	0.8
109.10167	1.1
115.05353	1.8
116.06238	0.6
117.07035	4.6
119.08582	7.9
121.10165	0.5
123.08068	0.6
126.12816	0.8
127.05860	1.0
127.13185	2.4
128.06198	2.6
128.07030	0.4
128.97844	0.4
129.07008	4.7
130.07787	5.3
131.04962	0.7
131.08583	10.1
132.57835	0.4
133.10165	1.6
135.07971	0.4
140.48608	0.4
141.06999	2.0
142.07736	0.9
143.08563	8.5
144.09380	3.7
145.10133	100.0
146.10461	0.9
150.37991	0.4
153.06978	0.5
154.07787	2.7
157.06480	0.9
157.10162	7.9
158.07289	0.6
158.10918	5.4
159.08112	1.4
159.11710	18.9
169.06375	0.4
169.10149	7.4
170.10902	0.7
172.08867	6.8
172.12489	7.2
172.13849	0.3
173.00969	0.5
185.13301	0.7
187.03903	2.7
187.07539	0.9
187.11227	21.6
187.14833	75.1
187.22510	1.3
188.15164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0604
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
53.03951	1.9
55.01871	1.0
55.05513	1.1
56.96589	0.4
57.03446	0.8
59.40888	0.4
60.04535	1.1
67.05517	1.9
68.99795	5.1
69.03444	7.7
69.07086	1.2
69.68350	2.6
70.06595	0.6
71.01364	1.8
71.04996	2.6
72.08167	2.3
79.05496	1.1
81.03423	10.1
81.03798	0.4
81.07059	5.4
83.01335	0.6
83.04971	0.5
83.08617	1.0
84.02134	1.8
84.04510	0.7
84.08149	6.2
85.02914	4.5
85.06552	0.8
85.08496	0.9
86.09722	4.0
88.02236	3.8
91.05479	0.9
93.07057	0.9
95.01397	0.5
95.04996	0.7
95.08648	0.9
97.02914	2.6
97.06548	1.0
98.97625	0.6
99.04460	3.1
100.07615	0.5
105.07069	0.7
107.08596	0.6
109.02890	12.1
109.06522	2.1
109.10168	2.6
111.00803	2.3
111.04485	0.6
111.08109	0.5
112.01593	16.3
114.09122	0.5
115.05454	0.5
117.07071	0.5
123.08063	0.5
123.11721	0.7
126.03135	4.1
127.03931	91.7
127.13155	0.8
128.04262	0.6
128.06253	0.6
129.10252	1.6
131.04924	1.3
131.08554	0.9
133.10065	0.5
136.06129	0.5
137.06013	1.7
140.96863	0.5
141.05481	24.9
141.09102	0.6
143.03499	0.7
143.04942	0.8
144.05708	0.5
145.10135	0.9
146.06033	0.5
149.51331	0.5
151.03975	0.4
151.11206	0.5
155.03409	100.0
156.03758	0.8
158.99779	0.5
159.06958	0.6
159.08118	1.2
159.11536	1.6
169.04987	4.4
169.08684	0.5
172.08832	1.0
173.00824	0.7
187.02391	0.6
187.03946	4.4
187.06027	6.7
187.07599	2.5
187.11211	2.3
187.12688	1.2
187.14978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0005
Annotation	3-Phospho-D-glycerate
Peak:m/z	Relative Intensity
50.75945	1.6
53.03950	4.0
55.01872	3.4
55.05503	7.0
55.93525	3.0
56.05042	3.6
56.96570	24.7
57.03421	2.5
60.04528	3.1
61.02914	6.2
67.05509	9.0
69.03435	12.2
70.06606	9.2
70.06915	1.6
70.98131	2.5
71.01353	4.4
71.04984	7.4
71.51315	2.4
72.08161	16.0
72.93774	3.5
74.02463	2.7
79.05504	5.8
81.03414	15.7
81.07062	16.1
82.06586	2.0
83.04973	5.7
83.08615	8.2
84.04507	6.5
84.08158	11.6
85.02895	11.6
85.08474	6.4
86.06071	3.7
86.09697	7.1
88.02229	21.6
88.04005	2.2
90.94785	2.3
91.05466	3.7
95.04964	7.8
95.08601	4.2
96.08105	2.2
97.02869	7.1
97.06527	1.6
98.06072	2.8
98.98475	100.0
99.04453	13.3
100.07595	2.5
100.99194	2.2
105.06996	4.4
109.02882	6.8
109.06514	5.1
110.05416	2.0
110.06126	2.1
110.97622	1.7
111.04443	3.6
113.02375	4.4
113.06003	2.4
113.07934	2.0
114.05573	3.5
115.05437	6.1
116.07062	3.5
119.01915	4.0
121.01594	2.5
123.04423	5.6
123.08054	2.2
123.11715	2.2
124.07597	2.0
126.05507	2.1
126.12820	2.3
127.03923	20.0
127.05035	30.6
127.05894	4.6
127.07587	4.6
127.08640	4.6
127.13153	8.5
128.08215	2.9
130.08632	6.1
130.75806	1.9
131.04935	8.9
131.08568	2.0
140.98372	2.8
140.99484	52.0
141.05472	5.6
141.07431	3.6
141.10185	2.4
141.81776	1.9
142.08644	10.0
143.04910	3.1
144.95795	2.0
144.98080	1.9
151.03864	2.4
155.03409	4.6
155.04605	2.1
159.04337	2.3
159.08025	2.1
159.11748	2.5
162.99136	6.6
163.97780	3.9
166.89423	1.9
169.01340	2.2
169.04927	7.8
169.06178	6.7
169.09775	1.8
170.08038	2.5
172.08849	4.1
173.00826	9.6
173.98654	1.7
177.00699	2.1
187.02249	3.2
187.03902	25.5
187.05801	19.1
187.07553	5.9
187.11075	9.4
187.12718	4.0
187.15228	6.9
188.09172	1.9
189.45352	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01862	2.3
55.05518	12.4
56.05034	8.6
57.07072	4.4
58.06578	1.4
59.05003	1.4
60.04504	1.3
67.05511	65.0
68.05028	1.3
69.03439	6.2
69.07074	16.1
70.06598	11.2
70.64676	2.8
71.05000	51.6
71.08631	1.1
72.04504	2.5
73.02938	1.2
79.05498	4.8
80.05003	1.6
81.03432	1.7
81.07055	11.6
82.06565	2.8
83.04974	1.7
83.08617	2.8
84.04507	7.0
84.08150	51.6
85.02909	16.9
86.06052	3.2
87.04483	1.1
88.07639	31.4
91.05486	29.4
93.07050	26.6
94.06555	2.5
95.04961	3.9
95.08615	69.4
97.06562	1.1
98.06051	4.2
98.09694	2.4
99.04452	1.8
100.07611	4.6
107.08624	2.1
108.04491	2.1
108.08125	2.7
109.06509	2.8
109.10164	58.3
111.08098	2.5
112.07598	9.0
112.08384	2.0
112.11248	4.1
113.04765	1.4
114.05538	19.5
114.64195	0.9
117.03451	1.2
117.06995	2.1
119.08591	34.5
121.00787	1.6
121.01675	1.5
124.11205	1.8
126.05530	17.2
126.09167	1.9
126.12801	37.9
127.03890	2.6
128.07039	1.4
130.06522	1.6
131.04886	1.1
134.09674	14.1
136.06163	1.6
136.11224	7.1
137.09621	50.1
139.01790	1.7
140.07079	12.2
144.06610	2.0
145.02852	1.7
154.12276	21.3
156.17589	1.7
158.05972	2.1
163.01831	4.4
168.06586	2.0
169.12257	1.1
181.02905	6.1
186.05446	1.9
186.07616	9.3
186.09143	2.1
186.11304	4.2
186.14914	100.0
186.18471	11.6
186.22163	3.0
187.07573	2.8
187.11217	1.5
187.12810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27000	10.4
71.42973	13.2
84.08143	13.4
90.28747	11.5
102.00993	35.0
112.54332	12.2
119.01917	42.0
120.01998	100.0
121.01708	20.0
122.10298	11.5
138.03029	19.6
143.03578	36.2
162.03053	19.5
166.33978	11.2
167.02127	15.9
170.19279	12.5
185.04259	40.9
185.07722	13.9
185.11444	22.5
191.34714	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	186.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75412	0.8
55.05510	2.1
56.05042	3.9
56.96568	1.0
57.03432	1.6
60.04531	1.1
60.47200	0.6
67.05508	7.4
69.03445	1.4
69.07071	1.4
70.06595	5.5
71.51421	1.0
72.04544	1.0
72.93782	1.0
74.19280	0.6
81.03420	1.2
81.07065	2.2
82.06586	0.7
84.04525	4.9
84.08148	100.0
85.02908	11.8
88.02232	1.5
89.03928	3.3
95.06094	0.6
96.08135	0.9
97.02895	1.1
97.08927	1.0
98.06070	2.7
98.09704	4.0
98.98486	0.7
100.07613	1.1
103.00614	0.6
103.05473	0.8
108.04515	1.3
109.10165	1.8
110.07152	0.6
112.07607	7.1
113.96384	0.7
114.05539	14.6
117.03384	5.0
121.00786	5.6
121.01685	3.5
122.06035	1.2
126.05525	10.5
126.09145	1.6
126.12802	77.2
127.03928	1.7
128.07109	1.1
130.06514	2.1
131.04929	1.3
135.04463	1.1
139.01820	5.1
139.02730	1.3
140.07068	10.5
140.10695	0.7
144.06622	1.3
144.13843	1.5
145.02849	8.1
145.04904	0.8
158.05994	2.4
158.08115	1.8
163.01834	14.9
168.06544	1.2
168.10269	0.9
169.09671	1.4
181.02861	16.9
186.03755	0.9
186.05682	4.1
186.07654	8.6
186.09253	0.9
186.11287	4.1
186.14906	54.6
186.18492	2.1
187.03932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
60.07893	0.8
60.08170	14.0
70.02775	0.9
70.03106	3.0
71.07382	7.1
86.09711	78.6
98.06065	0.9
98.98473	14.3
101.94415	1.0
101.95043	17.0
104.10735	2.8
104.55917	0.6
119.96075	5.7
124.07632	0.8
125.00013	63.8
137.38361	0.7
137.50856	0.7
137.97119	3.6
138.09235	0.7
141.98257	0.6
142.97612	1.2
151.35327	0.7
155.98041	0.8
160.98729	2.7
166.08685	0.8
169.10074	1.3
184.07356	100.0
185.13293	0.7
186.20003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05019	0.6
60.07890	1.2
60.08170	15.2
67.76372	0.6
70.01470	1.3
70.01876	2.5
71.07381	7.4
71.11749	0.6
79.13716	0.6
79.63364	0.6
86.09713	76.3
88.73289	0.6
98.19038	0.6
98.98479	13.2
101.95049	6.1
104.10753	3.8
115.36930	0.7
119.96078	1.8
122.23613	0.6
123.80569	0.8
125.00018	63.7
184.07355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03944	1.8
54.54103	0.8
55.01871	1.7
55.05519	13.3
56.96569	1.0
57.03434	2.4
57.07080	5.9
59.04997	2.9
65.03960	0.9
67.05512	17.4
69.03445	1.9
69.07079	12.3
71.01349	3.4
71.05000	14.9
71.21846	1.2
79.05505	10.1
81.03406	1.0
81.07067	63.3
83.04993	3.0
83.08628	22.4
85.02914	1.6
85.06556	5.0
91.05498	5.5
93.07057	8.3
95.04985	7.9
95.08622	17.9
97.06541	32.8
97.10181	1.0
98.98476	5.8
99.04468	23.3
99.08103	1.1
101.06031	12.2
101.95044	2.6
105.03408	4.3
105.04525	0.8
105.07049	16.4
107.08611	14.1
109.06532	4.8
109.10163	4.8
111.04522	1.0
111.11748	1.0
113.05987	1.3
113.09658	2.4
118.96799	2.5
119.08597	12.1
119.96114	0.9
121.10160	22.7
121.50784	0.9
123.04440	5.4
123.08118	6.1
123.11722	100.0
125.06004	0.9
125.09605	1.4
127.01610	1.6
137.09602	4.6
137.13283	7.5
140.04704	1.7
141.09166	1.0
141.12775	0.9
147.11703	35.7
147.56061	0.7
155.07121	1.0
160.04616	1.0
165.05562	1.1
165.09090	2.3
165.10551	1.1
165.12784	23.8
183.06584	1.8
183.10081	2.5
183.11539	1.9
183.13818	13.4
183.15451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.03923	0.6
55.01873	1.0
55.05512	4.9
57.03428	0.8
57.07072	2.5
58.02964	21.8
63.56317	0.4
65.03890	0.4
67.05510	12.6
69.03420	0.6
69.07073	49.1
70.06586	1.6
74.06065	0.8
79.05497	4.8
81.06593	0.8
81.07062	15.0
83.04989	2.0
83.08620	5.6
84.05307	1.2
84.08148	7.0
86.06049	0.9
91.05482	3.8
93.07049	9.1
95.04945	0.8
95.08603	5.3
97.06541	3.1
98.06055	1.9
98.09689	1.8
98.97579	2.1
99.97929	0.6
100.07623	5.0
105.07043	10.1
107.08604	13.0
108.08936	0.5
109.06519	1.3
109.10165	37.2
112.07623	2.1
113.82691	0.4
114.09170	11.1
116.98633	0.8
119.08573	0.9
121.10125	1.2
122.10508	0.4
123.08041	0.8
123.11715	6.1
125.05997	0.9
126.06335	1.9
126.09164	12.7
126.12772	1.0
126.19986	0.4
133.10141	25.3
135.11694	13.1
136.07571	1.1
137.13243	0.7
138.12793	14.4
140.10728	1.7
140.14293	1.2
147.11693	3.8
151.09996	0.7
151.11194	10.3
153.12750	11.6
154.15945	0.6
164.11552	2.5
164.14368	1.5
165.12791	2.0
182.15414	100.0
183.15727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03938	1.4
55.01880	1.7
55.05510	1.6
56.40769	1.0
57.06793	1.9
57.07079	36.2
59.05001	2.7
60.24689	1.0
66.99034	1.1
67.05482	2.0
68.02380	1.0
69.07076	5.7
69.30035	1.2
70.83388	2.5
78.25149	1.2
79.05488	8.5
81.03422	9.5
81.07054	4.7
83.04986	72.5
91.05485	3.4
93.07047	7.4
95.04975	21.1
97.05923	2.1
97.06536	35.1
98.97604	1.7
105.07052	4.2
107.04991	1.3
107.08609	9.4
109.06425	1.3
117.06976	1.8
119.08636	2.5
121.06558	1.5
121.10148	11.0
125.05999	100.0
126.06325	1.5
130.07764	1.8
135.08070	1.6
135.11678	4.1
145.10104	9.1
163.11188	99.9
181.12250	36.8
181.13916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03934	1.0
53.86941	0.9
55.01864	0.7
55.05517	4.2
55.12932	0.7
56.96579	1.1
57.07082	6.1
59.04989	1.1
67.05500	5.2
69.03402	1.3
69.07055	3.1
71.01353	0.7
71.04982	2.7
79.05497	5.7
81.03412	0.9
81.07068	3.7
83.04987	12.3
83.08611	1.4
89.69881	0.9
91.05474	4.1
93.07045	17.9
95.04971	4.0
95.08613	10.7
97.06530	15.9
98.97588	14.4
105.07018	4.1
105.50005	0.7
107.04951	1.0
107.08597	13.2
109.06501	1.5
109.10132	1.6
111.04438	1.7
111.08099	5.6
116.98624	4.7
117.07019	0.9
119.08576	2.4
121.06491	2.8
121.10166	3.6
123.08073	0.9
125.05999	60.3
125.09652	0.8
130.07791	1.1
134.99673	1.1
135.08054	2.6
135.11699	15.9
137.13266	1.1
138.06763	4.4
139.07547	1.9
140.00209	1.0
145.10146	8.4
153.12791	4.3
163.11186	28.4
163.12555	1.4
181.12238	100.0
182.12599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03949	0.4
53.10596	0.3
55.01851	0.6
55.05510	1.3
57.07077	1.5
59.05005	2.4
63.51080	0.3
67.05510	1.5
69.03419	1.2
69.07065	3.0
70.51537	1.0
77.61100	0.3
79.05494	4.6
81.07069	5.3
81.32832	0.4
83.04978	1.2
83.08647	0.7
87.04494	0.4
90.21747	0.3
91.05494	2.0
93.07050	12.1
95.04972	0.8
95.08612	9.6
97.06545	2.0
98.97601	3.4
103.88297	0.3
105.07031	1.6
107.04945	0.8
107.08603	21.4
109.06532	0.4
109.10165	1.8
111.04450	1.0
111.08105	1.0
112.39847	0.3
115.96425	0.4
116.97246	0.6
116.98634	1.3
117.07071	0.4
118.72746	0.3
119.08582	2.9
121.06502	3.3
121.10157	12.6
123.08085	2.5
125.06014	3.1
130.07828	0.7
135.08086	0.7
135.11703	31.1
136.12053	0.3
137.13268	1.2
139.07559	6.0
145.10138	8.5
153.12741	1.4
163.11192	22.8
164.11565	0.4
181.12247	100.0
182.12604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02385	0.4
70.15990	1.3
79.05495	2.2
89.03917	12.8
91.05496	0.8
93.03416	0.3
93.49694	0.3
95.05000	0.4
98.97590	2.1
107.04957	4.9
111.04401	0.8
112.55745	0.9
116.98640	0.6
117.03384	18.9
119.16922	0.3
135.04420	29.0
135.06696	2.8
135.57018	0.4
139.03908	0.4
145.02846	21.9
149.30669	0.3
150.53061	0.3
163.03902	100.0
164.04245	1.1
181.05000	1.8
181.06339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.91111	0.3
69.51945	2.0
69.52336	0.7
79.05483	2.2
89.03920	11.9
91.05482	1.1
93.03420	0.3
95.04967	0.6
98.20731	0.6
100.93932	0.3
107.04964	4.6
107.05642	0.5
107.63097	0.4
111.04434	0.4
112.55783	1.6
117.03391	17.7
119.04878	0.4
120.89600	0.3
126.55470	0.8
135.04420	28.4
135.06723	2.4
135.56952	0.4
139.03902	0.4
145.02856	21.1
158.84024	0.4
163.03912	100.0
164.04292	0.8
178.97591	0.4
181.04973	1.1
193.05049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03957	0.4
55.01892	0.4
55.05517	0.3
55.93529	1.7
60.10653	0.2
63.02385	0.3
63.68528	0.2
65.03941	0.6
69.03425	0.3
69.07107	0.3
71.04971	0.3
71.50599	0.3
71.93015	0.4
72.93787	0.7
73.94547	0.2
77.03912	0.2
79.05499	2.9
81.03415	0.3
81.07050	0.3
83.04982	0.6
83.68056	0.2
85.02936	0.2
88.04010	0.3
89.03924	13.3
90.94807	0.3
91.05494	1.2
93.03413	0.6
93.07033	1.2
94.93025	0.8
95.04954	0.4
97.06548	0.3
105.07063	0.2
107.04953	5.4
107.08592	2.5
107.95039	0.3
111.04473	0.8
117.03387	19.3
119.04926	0.4
121.06573	0.3
121.10170	1.2
135.04424	31.5
135.11687	0.9
136.07581	0.7
139.03889	0.9
142.39911	0.2
145.02853	21.8
145.10121	0.3
146.03204	0.3
149.86719	0.2
150.05476	0.3
163.03909	100.0
163.11188	0.8
164.04227	0.8
164.07021	0.2
181.02608	0.5
181.04918	2.3
181.06062	0.2
181.09641	0.3
181.12236	0.7
182.08200	0.4
192.77113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
50.01609	0.3
53.00295	0.3
53.03952	0.9
55.01862	1.3
55.05512	1.8
56.96567	3.0
57.03419	0.5
57.07077	5.4
59.04990	0.9
59.54031	0.4
63.02377	0.7
65.03941	3.1
67.05520	2.7
69.03429	1.5
69.07071	1.3
69.44675	2.1
71.04978	0.6
71.95264	1.4
77.03909	0.3
79.05499	6.6
81.03413	1.5
81.07058	2.6
82.04191	1.5
83.04983	10.8
83.08629	0.5
85.02917	1.5
85.06557	0.4
85.42706	0.3
89.03919	12.4
91.05495	2.9
93.03406	1.0
93.07049	6.1
95.04969	5.0
95.08595	1.6
97.06529	7.0
98.97588	45.3
99.97952	0.3
105.07024	2.0
107.04967	5.4
107.08594	5.8
108.02098	1.0
109.06508	0.8
109.10182	0.6
110.03657	1.4
111.04443	1.6
111.08064	0.7
116.97240	1.2
116.98624	26.2
117.03383	15.3
117.04640	0.4
117.07025	0.8
118.96738	0.3
119.04913	0.5
119.08571	1.3
121.06499	1.4
121.10142	9.5
123.00765	0.6
123.08073	1.7
125.06001	18.0
130.07780	0.4
133.10133	0.4
134.99663	10.2
135.04420	31.7
135.08043	1.6
135.11688	3.1
136.07568	0.9
137.06010	0.3
137.09578	0.4
138.03117	0.9
139.03886	1.2
139.07562	0.7
139.11180	0.6
139.62830	0.3
139.99255	0.4
140.00182	2.5
142.02620	1.1
145.02858	19.5
145.03870	0.8
145.10115	4.1
149.02359	1.6
149.09593	0.6
153.00800	1.3
153.05475	0.6
153.09108	0.6
153.12790	0.6
153.72882	0.3
158.01210	2.6
163.03909	100.0
163.11185	21.7
164.04228	1.3
164.07069	2.2
166.07759	0.3
171.06516	0.9
171.38254	0.3
181.04965	13.6
181.08624	0.6
181.10103	0.5
181.10544	0.7
181.12230	10.5
181.64177	0.3
186.05507	0.4
198.67967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83699	0.3
53.03949	0.3
61.57515	0.3
63.02374	0.3
65.14866	0.3
66.53889	0.3
69.60378	1.3
69.60795	0.6
77.03927	0.5
79.05500	2.6
81.19962	0.3
89.03922	11.4
91.05475	1.0
93.03430	0.4
95.04959	0.7
98.97583	1.1
107.04966	4.8
111.04456	0.8
116.98661	0.6
117.03391	17.8
126.17795	0.3
135.04425	31.5
139.03932	1.1
145.02861	21.6
145.03877	0.8
150.05547	0.5
163.03914	100.0
164.04245	1.1
181.04977	1.1
181.47502	0.3
195.33376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02357	0.8
53.03940	2.7
55.01884	4.6
55.05270	1.4
55.05515	16.6
57.03441	5.8
57.07084	7.0
59.04988	2.3
65.03918	1.7
67.05508	32.9
69.03429	7.1
69.07072	21.3
71.04994	1.6
71.08646	6.8
71.51891	1.6
79.05135	0.8
79.05495	9.0
81.07060	25.1
83.04984	35.9
83.08620	6.6
85.06539	5.4
91.05490	17.6
93.07051	23.1
94.06550	0.9
95.04382	1.2
95.04976	23.2
95.08611	100.0
97.06509	2.3
97.10150	3.2
103.05488	1.3
105.03349	1.2
105.07028	20.4
106.94438	0.8
107.08601	32.9
108.04474	1.1
108.05687	1.7
109.02840	1.0
109.05801	1.6
109.06519	21.0
109.10160	46.6
111.08064	4.2
117.07010	2.9
119.04986	6.4
119.08585	36.5
120.08068	1.0
121.06508	8.2
121.08403	1.4
121.10149	26.5
123.04430	2.0
123.08074	46.6
123.11736	5.9
131.08549	1.1
133.02834	2.0
133.06485	4.0
133.10132	21.4
133.87256	0.9
135.08051	3.0
135.11699	24.3
136.08836	1.7
137.05988	14.6
137.09616	31.6
137.13268	6.7
142.43140	0.9
143.08553	2.2
146.03575	1.0
146.07190	1.1
147.04414	10.0
151.11160	4.1
151.14824	36.6
151.94156	2.0
152.06969	1.4
161.05981	2.8
161.09628	13.9
161.13264	18.8
164.04074	1.3
179.03394	12.3
179.06779	4.5
179.10698	25.2
179.14302	93.2
180.00876	1.2
180.14676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10107	0.6
70.31362	2.0
70.31712	0.8
73.36486	0.8
82.01423	0.9
82.99837	3.6
84.08128	1.1
86.01050	0.6
100.02505	1.7
101.00886	46.9
102.00968	0.9
115.02459	3.7
119.01925	100.0
120.02055	1.5
133.01668	0.6
133.03461	9.9
137.02963	16.9
139.61852	0.6
142.03493	1.4
143.01898	2.6
151.04536	2.4
156.05043	7.9
161.02966	37.7
173.35484	0.8
174.06104	1.9
179.04024	38.2
184.04478	0.7
190.35214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
55.01878	3.3
55.05518	6.1
56.96553	0.6
57.03433	0.6
65.03955	0.7
67.05507	4.3
69.03416	2.4
69.07060	0.9
69.92144	2.5
79.05491	6.3
81.07059	22.9
83.04974	4.3
91.05486	13.4
91.06023	0.4
93.07041	7.1
95.04981	2.7
95.08603	3.2
97.06527	1.2
98.20864	0.7
103.05441	0.7
105.03392	1.5
105.07037	24.2
107.04936	0.5
107.08595	9.2
109.06524	9.0
109.10180	2.6
111.04400	0.7
115.05445	1.5
117.07021	2.2
118.07802	1.5
119.04922	0.9
119.08572	4.0
121.06512	0.7
123.04419	1.0
123.08072	3.0
123.11715	2.5
125.05990	0.6
128.06219	2.1
131.08603	2.7
133.06523	0.8
133.10135	21.2
135.11665	1.6
137.05984	21.6
137.09619	1.1
138.06752	1.7
143.08600	1.7
146.07249	2.5
151.07581	2.7
151.11174	3.1
153.25154	0.5
156.58997	0.6
161.09621	22.5
161.10963	1.2
161.13269	0.9
164.08318	1.6
170.90981	0.6
179.03384	2.4
179.06433	2.2
179.10674	100.0
179.13968	2.4
180.11099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0864
Annotation	Methyl indoline-6-carboxylate
Peak:m/z	Relative Intensity
53.03954	1.6
56.11472	0.6
56.51385	0.6
56.96555	2.1
64.97933	0.7
67.05512	1.7
67.76122	0.6
69.03418	1.2
69.07087	0.8
69.76367	1.7
69.76756	1.9
79.05503	5.9
80.04995	2.6
80.05800	0.8
81.07043	1.1
88.02217	4.3
91.05492	12.2
92.05004	1.2
93.07032	3.8
94.06570	3.2
94.90041	0.8
95.04967	3.2
96.04509	0.9
103.05470	3.0
105.05762	1.6
105.07019	2.7
106.06571	16.8
107.07354	9.5
107.08603	0.7
110.06048	1.4
110.56893	0.7
111.04421	1.7
114.36691	0.7
116.04981	1.9
117.05777	4.7
118.03727	0.7
118.06549	16.7
119.07314	3.0
120.04476	3.3
120.08118	19.2
122.06033	1.9
122.09674	1.9
132.08043	0.9
132.08919	0.8
133.10152	1.4
134.06030	16.1
135.06808	18.7
136.06255	1.0
136.07524	0.9
137.09604	1.2
146.03108	1.9
146.06027	14.7
147.06784	0.8
148.07587	61.7
149.07980	0.9
150.05505	2.2
150.09161	7.0
160.12024	1.2
162.05502	2.0
163.03912	2.1
163.06314	5.0
178.05257	3.3
178.08643	100.0
178.15913	1.4
179.03369	1.1
179.08972	1.4
179.10626	1.5
179.14357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0919
Annotation	2-Aminoheptanedioic acid
Peak:m/z	Relative Intensity
53.03941	1.1
55.01868	0.9
55.05517	1.3
56.05043	1.2
57.03447	1.9
60.04535	3.7
68.35114	0.6
70.06596	100.0
70.10174	1.1
71.04996	96.2
72.08143	1.7
73.02914	0.7
73.08514	1.0
84.08154	2.4
85.02914	0.8
85.06551	2.6
85.08980	0.8
88.04008	0.7
88.07634	48.9
89.06023	1.2
98.06061	7.5
98.09706	1.4
98.20803	0.6
99.04453	5.6
102.09196	1.9
112.07598	1.4
112.11243	2.0
116.03481	1.0
116.07118	4.1
117.05498	11.2
126.09205	0.9
129.01831	0.6
130.04997	2.9
130.08644	84.6
130.12288	2.6
131.07097	0.9
134.08134	31.3
144.06551	0.9
144.10199	5.5
148.46141	0.8
158.04457	1.3
158.11783	0.8
176.09218	7.9
176.12828	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
54.89499	0.4
63.02386	1.5
69.49883	0.4
70.56252	0.9
78.04730	2.2
79.05489	0.5
89.03925	38.5
91.05493	2.2
95.04948	0.6
98.20786	0.7
103.05470	1.2
106.04194	3.0
117.03387	66.8
119.04938	0.5
121.06499	0.9
124.05289	0.6
129.04417	0.6
134.03642	8.6
135.04424	3.4
145.02853	100.0
146.03157	0.4
149.05986	21.4
162.03122	1.5
163.03920	2.3
177.05482	35.0
184.80363	0.4
186.05547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03941	0.8
55.85212	0.4
63.02375	1.1
69.72324	1.0
69.72717	1.6
78.04714	2.0
89.03923	37.6
91.05489	3.1
93.07050	0.6
95.04971	0.8
96.46230	0.5
98.21486	0.5
98.97611	1.8
98.98472	1.0
102.82721	0.4
103.05465	1.7
106.04184	2.9
107.08621	0.7
116.98615	0.8
117.03386	67.0
118.03722	0.8
121.06544	1.4
131.06923	0.5
134.03644	6.4
135.04424	3.7
145.02853	100.0
146.03197	1.2
149.02303	0.7
149.05988	20.7
160.07597	1.7
162.03098	0.8
163.03915	2.4
177.05479	35.4
186.05528	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	178.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53072	0.6
69.81847	2.8
70.02949	4.4
70.06598	1.6
71.03712	0.7
71.04974	1.0
73.01151	0.6
73.02912	2.1
82.06567	1.4
87.02724	0.8
88.02221	2.3
88.03992	100.0
89.04281	0.8
89.04775	5.5
98.21497	1.0
114.03750	3.4
115.02180	0.7
116.07071	0.7
118.08658	0.8
132.04732	0.5
134.61180	0.6
136.48912	0.5
139.36513	0.6
140.71609	0.7
147.04433	1.0
160.04317	1.0
178.07207	1.0
178.08533	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48245	0.7
53.03945	2.6
55.01872	1.1
55.05517	6.2
57.02253	0.6
57.03426	1.0
57.07067	1.1
60.05642	1.0
61.01147	2.0
61.02912	0.9
62.18980	0.7
65.00636	1.0
65.03938	0.6
67.05494	2.0
69.03429	2.0
69.07074	19.6
69.67725	4.1
70.06611	3.1
71.04993	0.6
71.99084	0.7
79.05484	1.8
81.07071	4.4
83.04974	1.8
83.08634	4.3
85.01161	3.1
87.02699	1.5
87.04469	1.6
91.05492	9.0
92.90382	0.7
93.07048	2.9
95.04958	0.8
95.08619	5.5
96.04501	4.2
97.02907	4.8
98.03662	0.7
98.21543	0.8
98.98476	22.1
101.04191	1.0
103.02140	2.1
105.03391	0.9
105.07034	24.1
107.08586	4.3
111.04446	2.5
112.02187	6.1
115.03928	2.8
115.05441	1.0
116.07088	0.7
116.97209	0.8
117.03741	0.9
117.07027	3.2
118.06544	0.9
119.08588	74.4
121.10167	1.3
125.02342	1.4
127.03901	2.6
129.05446	1.0
129.07025	1.0
130.06538	2.4
131.08586	3.8
132.09500	0.6
133.10138	61.7
139.03842	1.4
143.03400	0.8
145.10135	5.2
146.10823	1.0
147.04449	1.3
147.08075	1.3
147.11697	10.1
151.94026	1.3
157.10132	0.8
158.06075	1.2
159.10297	0.6
160.05177	1.0
160.12511	3.5
165.95357	0.7
173.13318	2.0
175.06052	1.8
175.07588	3.8
175.11478	4.1
175.14833	100.0
176.01973	4.8
176.15256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.02
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03714	1.6
53.03952	29.1
55.05519	15.2
58.99583	3.3
61.01157	26.5
62.99085	11.5
65.00652	13.3
65.03941	3.6
67.04266	2.0
67.05502	3.2
68.05031	6.5
69.03436	7.0
69.05790	1.8
69.07069	1.7
69.85175	3.1
69.85564	2.1
70.06583	2.2
71.04991	4.6
71.99108	9.6
73.01129	1.4
75.02700	5.0
78.03455	12.0
78.96776	1.9
80.05026	3.4
82.99557	3.9
83.50114	1.3
84.00335	2.4
85.01139	55.0
86.01917	1.6
87.02702	43.2
89.00620	3.7
89.04269	3.6
96.04501	67.5
97.04829	1.1
98.20892	1.8
99.92950	1.4
100.02209	4.3
101.02989	3.9
101.04253	11.4
103.02176	31.8
104.02924	3.4
112.02201	100.0
113.03012	2.1
117.03731	14.4
120.08884	1.3
130.06491	5.4
134.10478	1.5
134.17183	1.1
139.60822	1.1
158.05995	1.8
176.02016	85.8
176.07050	2.8
176.10748	1.7
176.15233	1.8
189.23378	1.2
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	Ionene
Peak:m/z	Relative Intensity
52.24465	0.6
55.01863	1.3
55.05282	0.6
55.05516	8.2
57.07063	3.2
58.07401	0.9
60.05640	0.8
62.06080	1.9
66.51266	0.8
67.05504	3.5
67.08740	0.8
69.03410	1.5
69.07073	18.3
70.06595	1.5
70.90762	1.4
71.08620	1.2
71.16242	0.6
72.08949	1.4
79.05499	4.0
81.07063	11.5
83.05010	0.8
83.08614	5.4
87.04496	1.0
91.05490	12.5
92.90459	1.3
93.07042	5.6
95.08617	10.8
97.02889	3.9
98.98471	17.5
103.05460	1.1
105.07036	33.0
107.08599	6.9
109.10123	1.1
111.04460	1.4
115.03928	2.2
115.05447	1.5
116.06142	0.7
116.07094	1.4
116.97205	0.7
117.06993	3.1
119.08587	82.0
120.09405	0.7
121.10149	2.8
125.02348	0.9
127.03904	1.8
129.07025	1.4
131.08546	4.9
132.09398	1.0
133.10138	67.0
133.92984	2.8
134.10486	0.8
139.03831	1.0
145.10092	4.9
146.10873	1.3
147.08070	1.4
147.11688	11.7
151.94019	4.7
157.10085	1.1
157.17821	2.8
160.05205	1.8
160.12505	1.9
173.13303	1.6
175.06073	1.3
175.07448	6.7
175.11436	4.7
175.14836	100.0
175.18898	20.6
176.07098	9.5
176.15186	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22286	0.8
55.01860	1.0
55.05515	10.2
56.96569	1.2
57.07082	0.9
60.22915	0.6
61.65181	0.8
65.03931	1.3
67.05518	4.3
69.03413	1.6
69.07071	23.5
69.64892	4.8
70.06581	1.4
74.57848	0.7
79.05486	5.5
81.07060	13.4
83.08624	5.9
84.53793	0.7
87.04481	1.7
91.05482	13.8
92.90484	4.3
93.07047	7.0
94.33168	0.7
95.04985	1.1
95.08051	1.2
95.08611	12.1
97.02895	2.8
98.45023	0.7
98.98472	14.9
105.07034	39.6
107.08599	7.3
115.03938	1.0
115.05444	1.7
116.97219	2.2
117.00996	4.8
117.07047	4.5
119.08586	92.6
120.08999	0.8
121.10133	4.0
125.02366	1.2
126.01552	5.4
127.03938	1.1
129.07010	2.0
131.00734	3.2
131.08583	6.0
133.10135	72.6
133.93018	5.3
135.02057	0.7
139.03915	1.4
140.01250	20.3
140.51410	2.3
142.07790	1.4
142.51486	1.5
145.09213	0.8
145.10149	6.8
146.10872	1.8
147.08026	1.6
147.11684	13.8
148.22025	0.9
149.01787	22.3
149.52019	1.7
151.52065	8.2
151.94081	6.7
152.02187	2.2
157.10136	2.9
158.02342	1.6
158.03586	1.3
159.11668	1.0
160.05240	0.8
160.08801	1.0
160.12480	4.1
160.52596	5.4
163.02812	1.2
173.13254	2.3
174.95703	0.8
175.06073	1.6
175.07376	4.0
175.11208	9.7
175.14832	100.0
176.15245	1.4
186.03113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	0.8
55.01870	2.0
55.05273	0.8
55.05512	10.9
56.96555	1.2
57.03437	2.0
57.07076	1.6
59.04995	1.4
60.05643	2.5
61.02911	2.2
65.03940	1.4
67.05508	4.6
69.03430	3.8
69.07069	14.0
69.65015	4.3
70.06586	5.7
71.04971	1.7
72.08173	0.9
79.05481	3.7
81.06590	1.2
81.07058	18.3
83.04975	3.2
83.08615	4.7
85.02920	2.1
86.09694	3.0
87.04464	3.4
91.05486	15.7
92.90072	1.2
93.07051	8.7
95.08615	13.0
97.02893	7.3
97.06525	3.0
97.10155	0.7
98.03676	1.8
98.98474	35.1
100.07626	3.0
101.07378	0.7
101.07956	4.7
103.05488	1.1
103.72372	0.7
105.03383	1.4
105.07037	48.3
107.08595	9.5
107.16085	0.8
109.10152	1.5
111.04443	2.9
113.02387	0.8
113.05971	1.4
115.03950	3.9
115.05463	2.1
115.07578	1.1
116.07106	1.2
116.97244	1.1
117.07003	4.6
118.06557	7.0
119.04962	1.5
119.08590	83.2
120.09441	1.0
121.10124	2.2
125.02348	2.2
127.03922	3.8
128.06148	0.9
129.05447	1.8
129.07011	3.3
130.03168	0.8
130.06526	14.4
131.08580	9.5
132.04448	2.7
133.01057	0.8
133.10138	52.8
133.92944	0.8
134.10486	1.0
136.20644	0.7
139.03931	2.6
142.07811	1.3
145.06578	1.0
145.10147	3.7
146.06041	1.3
146.10960	3.6
147.04422	2.2
147.06364	1.8
147.08034	2.4
147.11699	17.0
151.93875	1.7
157.05199	0.8
157.07613	10.2
157.14209	4.3
158.06032	8.2
160.05231	4.3
160.08807	1.5
160.12537	1.2
173.13274	1.6
175.03882	2.0
175.05975	3.4
175.07535	7.7
175.08713	4.9
175.11122	8.0
175.14836	100.0
176.07121	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
52.48245	0.7
53.03945	2.6
55.01872	1.1
55.05517	6.2
57.02253	0.6
57.03426	1.0
57.07067	1.1
60.05642	1.0
61.01147	2.0
61.02912	0.9
62.18980	0.7
65.00636	1.0
65.03938	0.6
67.05494	2.0
69.03429	2.0
69.07074	19.6
69.67725	4.1
70.06611	3.1
71.04993	0.6
71.99084	0.7
79.05484	1.8
81.07071	4.4
83.04974	1.8
83.08634	4.3
85.01161	3.1
87.02699	1.5
87.04469	1.6
91.05492	9.0
92.90382	0.7
93.07048	2.9
95.04958	0.8
95.08619	5.5
96.04501	4.2
97.02907	4.8
98.03662	0.7
98.21543	0.8
98.98476	22.1
101.04191	1.0
103.02140	2.1
105.03391	0.9
105.07034	24.1
107.08586	4.3
111.04446	2.5
112.02187	6.1
115.03928	2.8
115.05441	1.0
116.07088	0.7
116.97209	0.8
117.03741	0.9
117.07027	3.2
118.06544	0.9
119.08588	74.4
121.10167	1.3
125.02342	1.4
127.03901	2.6
129.05446	1.0
129.07025	1.0
130.06538	2.4
131.08586	3.8
132.09500	0.6
133.10138	61.7
139.03842	1.4
143.03400	0.8
145.10135	5.2
146.10823	1.0
147.04449	1.3
147.08075	1.3
147.11697	10.1
151.94026	1.3
157.10132	0.8
158.06075	1.2
159.10297	0.6
160.05177	1.0
160.12511	3.5
165.95357	0.7
173.13318	2.0
175.06052	1.8
175.07588	3.8
175.11478	4.1
175.14833	100.0
176.01973	4.8
176.15256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25840	0.6
53.03939	0.7
53.93354	0.5
55.05519	6.0
57.03421	0.8
57.07058	1.0
62.88133	0.5
67.05494	2.2
69.03448	0.6
69.07074	19.6
70.06618	0.7
71.20122	0.8
72.07471	0.5
72.39127	0.5
74.23940	0.5
79.05494	2.5
81.07066	5.5
83.08620	4.8
91.05489	8.1
92.90419	1.8
93.07037	4.2
95.08620	4.8
97.02885	1.0
97.07352	0.6
98.98466	5.5
103.05495	0.7
105.07041	23.3
105.45721	0.5
107.08605	4.8
109.34222	0.6
111.04431	0.7
116.97225	0.9
117.07033	2.6
119.08591	71.7
121.10197	2.7
127.03880	0.6
129.05409	0.6
129.07028	1.0
131.08549	4.2
132.09259	0.9
133.10143	61.6
133.93036	2.1
139.03828	0.6
142.07726	0.8
143.39166	0.6
145.10161	4.7
146.10945	1.0
147.06386	0.7
147.08038	1.3
147.11691	11.1
151.94040	1.5
157.10115	0.7
160.05238	0.7
160.12479	2.9
173.13300	2.2
175.06099	0.7
175.07532	1.7
175.11266	3.1
175.14835	100.0
176.14296	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03931	0.6
55.05513	6.8
57.07070	1.0
65.03916	0.5
67.05499	1.7
67.81581	0.5
69.07071	18.2
69.41475	3.9
70.06579	0.7
77.98296	0.6
79.05482	2.2
81.07054	5.2
83.08620	3.4
87.86029	0.5
88.31454	0.6
88.91232	0.5
89.15991	0.6
91.05485	6.8
92.90483	0.5
93.07049	3.5
95.04963	0.6
95.08600	3.7
97.02876	0.7
98.98462	3.4
105.07035	19.2
107.08603	4.2
115.05479	0.8
117.07027	2.3
117.90308	0.6
119.08588	71.7
120.08869	0.6
121.10130	2.3
131.08568	3.8
133.10136	59.9
133.92955	1.0
134.10472	0.8
135.11766	0.6
139.03899	0.5
145.10135	5.9
146.10922	0.9
147.08109	0.6
147.11684	9.4
151.94061	1.6
152.05975	0.7
152.35027	0.6
156.49411	0.6
159.11705	0.7
160.05238	0.9
160.12460	3.6
173.13245	2.2
175.06117	0.9
175.07602	1.6
175.14833	100.0
176.15160	1.6
179.78159	0.6
182.32031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.81576	0.4
50.96178	0.4
55.01892	1.0
55.05516	7.9
56.96567	0.7
57.07060	0.6
60.05659	1.0
61.02944	0.8
65.03934	0.6
67.05511	3.1
68.91230	0.5
69.03433	1.1
69.07074	11.4
69.61963	2.2
70.06596	3.0
72.08179	0.5
76.56828	0.5
77.03908	0.6
79.05505	4.4
81.03367	0.5
81.07063	19.1
81.73090	0.4
83.04980	0.8
83.08627	3.8
85.02903	1.1
87.04443	1.0
91.05486	16.7
92.19968	0.4
92.90482	0.8
93.07053	7.8
93.87037	0.5
95.04993	0.6
95.08614	12.5
97.02901	3.9
97.10197	0.8
98.03696	1.0
98.98471	14.6
103.05480	1.2
104.06246	0.5
105.07039	46.7
107.08607	8.1
109.10178	0.9
111.04471	0.8
115.03926	2.2
115.05460	1.5
116.06210	0.5
116.07139	0.6
117.07025	3.7
118.06562	1.4
118.07732	0.6
119.04984	1.2
119.08587	78.5
121.10165	2.8
125.02364	1.0
127.03931	1.7
129.05490	0.5
129.07005	1.8
130.06502	3.2
131.08577	8.4
132.04456	0.9
133.10136	48.6
133.92952	0.9
134.10468	0.6
139.03923	1.1
145.10129	2.8
146.10901	2.9
147.08049	1.6
147.11693	14.1
151.93962	1.6
157.07645	2.1
157.10107	0.5
158.06047	1.7
160.05193	2.9
160.12471	1.5
173.13264	1.9
175.03877	0.5
175.06090	0.8
175.07446	6.1
175.11411	3.2
175.14836	100.0
176.07152	1.0
176.15193	1.0
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
50.70976	0.2
53.03955	0.4
55.05510	3.1
56.45398	0.2
57.07074	0.6
57.48626	0.2
65.03922	0.4
67.05519	1.2
69.03445	0.2
69.07075	9.2
71.52692	0.3
71.53097	0.3
79.05495	1.3
81.07056	3.7
83.08629	1.9
86.59421	0.2
91.05483	5.4
91.06027	0.4
91.70152	0.3
93.07046	2.2
95.08614	3.0
97.02898	0.4
97.73004	0.3
98.98482	2.9
103.05470	0.7
104.06236	0.4
105.07038	17.5
106.07431	0.3
107.08606	3.5
107.53298	0.2
112.42678	0.2
115.03934	0.3
116.71783	0.3
117.07014	3.0
119.08588	49.2
120.08893	0.3
121.10164	1.4
126.78685	0.2
129.06999	0.6
131.08578	3.5
132.09320	0.5
133.10138	48.7
134.10597	0.5
135.11700	0.4
142.07773	1.0
144.09351	0.8
145.10127	8.7
146.10886	0.5
147.11696	20.7
157.04282	0.5
157.10098	1.2
159.11691	4.6
160.08875	0.4
160.12482	7.2
161.13232	0.7
173.13318	1.3
175.11354	2.1
175.14833	100.0
176.15154	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01875	1.1
55.05511	9.1
57.03442	1.0
57.07080	0.8
59.04979	1.0
60.05650	1.0
61.02934	0.6
63.89975	0.5
65.03938	0.5
67.05512	3.4
69.03437	1.7
69.07068	10.8
70.06606	2.8
70.48986	1.0
70.49315	0.5
73.02893	0.5
79.05492	4.4
81.03435	0.6
81.07060	13.6
82.04901	0.4
82.39751	0.5
83.04998	0.9
83.08620	4.1
85.02908	1.1
86.09715	1.3
87.04463	1.9
87.10033	2.2
88.02220	0.5
91.05486	15.9
93.07050	6.9
95.04964	0.7
95.08604	11.4
95.09177	0.8
97.02901	3.6
98.03680	1.1
98.98468	14.9
101.06057	0.4
103.05463	1.5
104.06209	0.5
105.03401	1.0
105.07037	44.8
106.07385	0.5
107.08595	9.5
109.06522	0.6
109.10163	0.6
111.04452	1.5
115.03926	1.8
115.05447	3.3
116.06169	0.5
116.07076	0.9
117.07019	4.1
118.06548	2.8
119.08586	77.5
119.56126	0.4
121.10165	1.8
125.02343	0.9
127.03951	2.5
129.05585	0.4
129.07016	1.4
129.11067	0.7
130.03278	0.5
130.06534	4.9
130.09669	0.4
130.13297	0.4
130.27097	0.4
131.04941	0.6
131.08583	7.6
132.04471	1.0
132.05710	1.3
132.09286	0.7
133.02869	1.6
133.10132	47.9
134.10428	0.6
139.03954	1.3
143.04973	0.8
144.05711	0.8
145.10132	3.4
146.06029	0.7
146.10904	2.8
146.51106	0.4
147.04425	0.9
147.06345	1.5
147.08051	1.6
147.11700	15.7
148.07513	0.6
151.93886	0.9
157.07639	3.8
157.10158	0.7
158.06079	2.2
160.05203	5.4
160.12476	2.0
162.50391	0.5
173.13290	1.5
175.03929	0.9
175.05934	2.5
175.07462	11.9
175.11240	3.2
175.14832	100.0
176.07066	3.5
176.15132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01863	1.9
55.05516	8.3
56.96566	1.2
57.03425	0.7
59.04985	1.6
60.05645	1.4
61.02919	1.8
61.95514	0.7
62.02693	0.7
62.85201	0.7
64.57658	0.7
65.03941	1.1
67.05494	3.4
69.03428	3.7
69.07074	16.7
69.75784	2.5
69.76197	1.8
70.06605	4.1
70.07394	1.1
71.04978	2.7
73.57069	0.7
79.05511	5.3
81.07063	11.7
83.04983	3.2
83.08622	4.6
85.02898	2.2
86.09683	2.1
87.04482	3.1
91.05486	17.4
92.89993	1.1
92.90501	1.1
93.07048	5.8
95.04996	0.8
95.08611	9.6
97.02895	8.5
97.06519	1.1
98.03670	2.1
98.98474	31.4
100.07608	3.4
101.07941	5.5
103.05474	0.9
105.07040	38.0
107.08598	8.2
111.04449	3.3
115.03967	4.3
115.05445	2.0
115.07553	0.9
116.07109	1.7
116.97201	1.8
117.07000	3.9
118.06548	7.9
119.04922	1.6
119.08591	74.3
121.10152	2.6
125.02367	1.7
127.03111	0.8
127.03943	4.5
129.05435	1.0
129.07008	3.2
130.05618	0.9
130.06540	12.8
130.09772	0.8
131.04898	0.8
131.08585	6.5
132.04456	3.1
132.09325	1.1
132.95871	0.8
133.06503	1.0
133.10141	49.5
133.93008	2.2
134.10605	0.7
139.03897	1.4
142.07788	1.0
145.10117	3.2
146.06038	1.4
146.10916	2.5
147.04393	2.0
147.06429	1.8
147.08052	2.0
147.11699	15.2
150.96883	0.8
151.93985	3.3
157.06429	0.8
157.07626	11.1
157.10159	2.2
157.14223	3.5
158.06036	9.1
160.05202	2.7
160.08864	1.3
160.12523	1.0
173.13292	1.4
175.03897	1.7
175.05954	4.8
175.07555	7.3
175.08986	3.7
175.11107	6.7
175.14839	100.0
176.07086	2.0
176.15175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53672	0.3
55.05517	9.5
56.05872	0.5
57.07082	2.7
58.27925	0.3
60.04530	0.7
69.77654	1.9
70.06590	0.3
72.04522	100.0
72.08169	1.9
86.09711	3.2
91.05481	0.4
96.04504	0.4
98.98476	1.1
100.07642	0.7
102.09190	10.4
111.04475	0.5
112.04787	0.5
114.05582	0.5
114.09175	31.9
118.06577	0.8
119.08596	0.9
128.07112	0.6
128.14375	3.1
132.08093	0.5
132.08942	0.5
132.95888	0.4
133.10130	0.3
141.36528	0.4
144.08017	0.5
146.05981	0.6
146.10469	0.4
146.15463	1.8
156.13852	50.2
157.14262	0.6
169.75475	0.3
174.05542	0.8
174.08762	0.4
174.12675	3.2
174.14908	2.3
174.18420	0.5
175.14851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.45222	0.4
55.01865	2.3
55.05513	5.9
55.93525	2.3
56.05035	1.9
57.03436	0.8
58.06597	1.2
59.04998	1.7
60.04509	0.8
60.05648	0.7
60.98717	1.0
61.02930	0.5
63.61345	0.4
67.05510	0.9
68.05032	4.6
69.03428	1.9
69.07088	0.6
70.06596	8.2
70.75124	1.1
70.95863	1.3
71.04994	1.9
71.06119	0.8
71.06910	0.7
71.93009	1.1
72.04517	0.8
72.08159	1.3
72.93402	0.6
72.93790	7.9
73.03291	0.5
73.06562	0.4
73.93846	1.9
74.06069	0.9
78.99775	1.1
82.06583	33.7
83.01356	0.6
83.04977	1.8
83.06929	0.5
84.04507	5.3
84.08137	0.8
85.02911	1.0
85.06551	0.7
86.06068	8.1
86.09695	1.0
87.04460	1.9
89.94055	1.2
90.94832	6.6
91.90377	0.7
91.94861	1.7
93.07025	0.6
96.04495	3.4
96.08131	1.1
97.00810	1.4
97.02874	0.5
98.06026	1.2
98.09708	2.6
98.98483	1.3
100.03974	0.8
100.07621	4.7
101.06011	1.8
102.05548	11.3
102.09178	0.8
104.07133	0.4
107.95067	0.5
108.95821	0.8
110.02374	1.1
110.06054	4.4
110.09669	1.8
111.04460	1.9
111.98508	0.7
112.03983	1.0
112.04756	1.0
112.07631	2.5
113.96413	0.6
114.05534	31.0
114.09174	1.2
115.03930	8.4
115.07561	0.9
116.07070	1.1
116.10749	0.4
118.06584	0.9
120.02405	4.6
125.02343	0.7
128.03421	1.6
128.07083	100.0
128.10724	7.4
129.07420	0.7
130.08656	2.2
131.95039	0.7
132.04463	0.4
132.06555	1.3
132.08058	1.6
132.95837	6.7
138.05452	0.5
142.04997	5.7
143.03413	0.4
144.95856	1.0
146.06033	1.2
149.96140	2.6
150.96979	6.7
156.06519	4.4
156.10211	2.1
156.13904	0.8
159.10515	0.6
162.96861	0.5
167.97169	1.6
168.97420	1.2
173.98398	0.9
174.03989	1.2
174.05545	1.1
174.07631	23.3
174.08884	1.7
174.11259	36.6
174.12663	5.2
174.14850	9.8
174.16277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.2
55.05514	46.5
56.39516	1.7
56.96553	3.8
57.03428	3.4
57.07062	4.2
58.03284	1.5
59.05007	14.1
67.05511	10.9
69.03424	2.1
69.07071	15.9
69.35387	14.2
71.04993	4.4
71.08636	100.0
72.93798	15.5
75.16697	1.7
78.43979	1.7
79.05505	3.1
79.96417	1.6
81.07058	11.1
83.04983	45.8
84.04528	2.8
85.06531	5.7
87.04449	2.1
89.02366	2.4
90.90395	15.7
90.94836	12.6
91.05485	9.3
95.08627	8.7
97.06527	6.7
99.04479	3.8
99.08099	67.4
99.88040	2.0
101.06020	32.9
103.03274	4.3
105.07038	12.7
108.95875	4.5
109.10153	4.0
111.04449	66.7
113.02337	2.0
113.06011	3.5
113.96388	6.0
115.05486	4.5
116.06245	3.2
117.07052	11.1
118.06529	4.2
119.08584	10.7
127.07549	7.4
128.06186	2.1
128.14337	2.5
129.05490	16.4
129.06998	8.6
129.12744	6.4
130.07764	5.2
131.08571	50.9
131.92979	6.2
137.06017	2.4
141.09082	3.5
143.08557	15.6
144.09326	5.7
145.06470	6.5
145.07567	3.6
145.10124	30.6
146.06036	2.8
149.94072	17.6
149.96130	7.5
155.03450	3.2
155.05801	2.3
155.07047	42.1
155.08423	3.9
156.17502	2.3
158.07292	5.7
158.10918	20.5
167.97203	5.4
173.04619	2.7
173.05855	5.6
173.08154	74.6
173.09659	14.9
173.13258	84.1
174.07587	1.7
174.12724	4.2
174.18556	23.1
188.56944	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	173.1538
Annotation	Sachalol
Peak:m/z	Relative Intensity
53.03931	0.5
55.05512	10.0
57.03452	1.8
57.07079	45.2
59.04998	2.3
60.30138	0.4
65.03931	0.5
67.05508	15.2
69.03413	0.5
69.07072	8.7
69.66152	1.9
71.04994	1.8
71.08630	2.7
72.93791	2.5
73.06538	1.8
75.29077	0.4
79.05499	2.5
81.07059	32.4
83.04994	6.1
83.08623	0.8
85.06546	100.0
86.06892	0.9
87.04463	0.6
89.02412	0.7
90.90421	0.6
90.94835	2.7
91.05470	0.9
93.07080	0.4
95.08611	18.9
97.10181	1.4
99.04482	0.5
99.08098	23.1
101.06026	4.4
103.03310	0.7
105.07062	1.1
109.10167	1.4
111.04448	8.3
111.11713	0.8
113.06010	0.9
113.96382	0.4
116.07121	0.4
117.07017	1.0
118.06658	0.3
119.08580	1.0
127.07578	0.9
128.06157	0.6
129.05484	1.6
129.07069	0.7
131.08563	4.5
131.97516	0.4
137.13263	5.5
143.08598	2.1
144.09402	0.7
145.06552	0.7
145.07651	0.8
145.10162	3.0
146.06021	0.7
149.94087	0.4
149.96097	2.0
155.07045	5.9
155.14307	11.6
158.10924	3.2
159.08104	0.9
167.97179	0.8
173.04587	0.4
173.06824	0.5
173.08174	8.6
173.09500	0.4
173.10854	0.9
173.13263	10.3
173.15450	0.5
174.05588	0.5
174.10393	0.4
193.43701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05274	0.4
55.05515	6.9
57.03419	0.4
57.07078	0.6
59.04993	1.2
61.04042	0.6
67.05509	3.1
69.03436	1.3
69.07078	0.7
70.08231	1.6
71.08627	0.6
72.04513	1.0
72.93797	2.8
76.02216	0.4
79.05499	1.9
81.07067	2.8
83.04989	7.8
85.02885	0.4
85.06551	0.4
87.04478	0.8
89.02385	1.0
89.07149	0.7
90.90390	3.2
90.94845	2.9
91.05485	8.3
93.07022	1.0
95.04961	0.5
95.08615	1.1
100.11300	0.5
101.06032	6.0
103.03293	0.9
105.06399	0.6
105.07045	7.5
107.08630	0.5
108.95869	0.6
111.04453	10.3
113.06078	0.6
113.96425	0.7
115.05458	1.4
116.06251	1.8
117.07036	3.9
119.08597	13.1
127.07552	1.6
128.06235	2.1
128.07077	0.6
129.05544	3.2
129.07011	7.9
130.07790	3.2
131.08578	44.8
131.92996	1.2
131.97444	0.5
132.08904	0.6
133.10159	2.6
142.07776	1.3
143.08574	22.1
144.09370	6.2
145.06493	1.0
145.07671	0.9
145.10136	23.5
149.94077	3.7
149.96069	1.1
151.44109	0.4
155.03403	1.1
155.05949	0.7
155.07068	6.8
156.09358	1.3
157.10135	1.5
158.07295	1.3
158.10925	33.7
159.11404	0.5
167.95189	0.3
167.97134	1.8
171.11674	1.8
172.95662	0.5
173.04666	0.6
173.08167	13.4
173.09737	2.6
173.13275	100.0
174.13763	0.8
186.94241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05513	3.1
57.07074	1.8
59.04986	0.4
67.05513	1.5
69.03412	0.3
69.33406	0.3
70.77431	0.6
71.04987	0.4
72.93787	0.9
73.78112	0.3
74.09718	0.7
79.05489	0.5
79.74696	0.3
81.07050	0.4
83.04987	2.7
85.06554	0.4
87.04482	0.5
89.93474	0.3
90.90382	1.5
90.94827	0.9
91.05476	2.8
93.07034	0.3
100.11254	0.3
101.06026	2.8
103.03270	0.4
105.07026	2.6
111.04450	5.2
113.06005	0.4
115.05479	0.7
116.06280	0.4
117.07009	2.0
117.10204	0.6
119.08591	7.5
127.07523	0.3
128.06235	1.3
129.05492	1.0
129.07011	3.8
130.07813	1.6
130.15900	2.5
131.08577	17.8
131.93005	1.1
133.10143	4.5
141.06963	0.4
142.07794	1.4
143.08572	24.1
144.09361	4.4
145.10138	12.1
145.18706	0.3
149.94064	1.5
155.03365	0.5
155.07042	2.8
156.09348	0.9
156.13780	0.3
157.10181	1.5
157.86192	0.3
158.10921	51.5
159.11200	0.6
171.11746	1.7
173.08275	5.1
173.13271	100.0
174.13728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.54836	0.5
53.03944	0.8
55.05507	3.7
57.03435	0.4
59.04990	0.6
64.44178	0.5
67.05499	2.3
69.03437	0.8
71.04986	0.5
71.06110	0.8
71.41630	0.8
72.08147	0.7
72.93772	0.6
73.84123	0.5
76.02221	0.8
79.05499	1.5
81.03419	2.5
81.07061	3.9
83.04991	4.0
84.04489	0.6
87.04517	0.6
90.90371	0.9
91.05484	11.2
93.07053	1.1
98.98488	1.8
100.11271	1.8
101.06032	3.2
103.03288	1.6
103.05516	0.7
105.07036	13.4
111.04456	5.8
115.05460	3.1
116.06230	2.3
117.07027	9.6
118.06524	0.9
119.08593	10.3
123.24281	0.5
127.07534	0.9
128.06233	1.3
128.14377	0.6
128.44504	0.5
129.05478	1.6
129.07013	9.0
130.07785	3.1
131.08574	99.9
132.08936	1.3
133.10136	2.1
142.07767	1.2
143.08566	15.0
143.68343	0.5
144.09361	6.2
145.06523	0.5
145.07655	0.7
145.10132	24.0
149.94046	1.3
155.07030	4.3
155.08379	0.9
156.09348	1.1
157.10182	0.6
158.07292	1.9
158.10930	23.4
171.11702	1.8
173.04567	0.8
173.05916	0.9
173.08281	7.9
173.09654	6.3
173.13271	100.0
174.13651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.3
56.96555	1.5
59.04993	1.5
64.65674	0.4
67.05514	2.6
69.03429	0.6
69.07063	0.7
69.34112	0.8
69.34518	2.7
71.04973	0.7
72.29318	0.4
72.93811	3.2
73.02925	0.5
79.05478	1.1
81.03417	0.5
81.07048	2.0
83.04990	9.4
84.04523	0.6
85.06525	0.7
87.04473	0.6
89.02408	0.9
90.90387	3.9
90.94840	2.7
91.05486	4.6
93.07047	0.6
99.04430	0.6
100.11272	0.7
101.06019	7.0
103.03289	0.7
105.07043	4.3
108.91432	0.5
108.95888	0.5
109.10148	1.3
111.04451	13.4
111.05209	0.9
113.06018	1.0
113.96377	0.7
115.05446	1.1
116.06255	1.2
117.07054	2.3
118.06474	0.6
119.08581	9.4
121.05628	0.4
127.07555	1.7
128.05356	0.5
128.06232	1.7
129.05505	3.1
129.07005	5.1
130.07773	2.0
130.98303	0.4
131.08575	21.2
131.93001	2.1
133.10162	4.5
142.07773	1.5
143.08569	22.1
144.09380	4.5
145.06557	0.6
145.10126	14.9
146.10449	0.4
149.94046	5.5
149.96098	1.4
150.06177	0.8
155.03412	0.6
155.05794	0.5
155.07048	8.7
155.08495	0.6
156.09296	1.1
157.10095	1.9
158.07317	1.5
158.10921	46.5
167.97166	1.6
169.05443	0.5
171.11711	1.8
172.95665	0.6
173.05855	1.0
173.08188	14.3
173.09708	3.5
173.13268	100.0
174.12643	0.5
174.13757	0.6
188.65762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01702	0.5
50.16216	0.7
53.03953	0.9
55.05510	3.8
56.70612	0.5
59.05014	0.8
67.05527	1.3
69.03435	1.3
69.17580	5.8
71.06118	0.6
72.08145	0.7
76.02227	0.7
79.05504	1.2
81.03429	2.0
81.07076	3.3
83.04971	4.0
90.90398	0.9
91.05493	8.9
93.07069	0.6
95.04961	0.6
95.08598	0.6
98.21536	1.3
99.04470	1.1
100.11267	1.0
101.06028	3.5
103.03326	1.6
105.07036	13.7
111.04447	5.3
113.06013	0.6
115.05478	2.2
116.06270	2.8
117.07038	9.1
118.06520	0.9
119.08607	7.9
127.07600	1.0
128.06261	1.2
128.14331	0.8
129.05492	1.6
129.07021	7.1
129.10205	0.6
130.07773	3.4
131.08578	100.0
132.08937	1.0
133.10146	1.8
142.07742	0.6
143.08586	12.8
144.09360	4.5
145.10135	24.4
149.94035	1.3
155.07042	3.4
155.08566	0.8
156.09370	1.1
157.10117	0.8
158.07344	1.0
158.10930	18.7
171.11713	2.0
173.08252	9.4
173.09709	5.2
173.13278	93.2
174.11229	0.6
174.12640	0.6
174.13698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02397	0.3
51.64895	0.2
53.03949	0.3
54.05516	0.3
55.05517	2.8
57.03464	0.2
57.07075	1.1
58.07412	0.5
59.04998	0.6
67.01886	0.2
67.05511	2.0
69.07075	0.3
71.04981	0.5
71.08644	0.4
72.08943	0.3
72.93790	0.6
74.06079	0.6
76.02224	0.5
79.05494	0.8
81.03420	0.4
81.07060	1.5
83.04990	2.5
87.04476	0.4
88.07619	2.0
89.07958	1.3
90.90402	0.7
90.94838	0.6
91.05485	6.2
93.07043	0.5
95.08636	0.2
96.90429	0.3
100.11279	0.5
100.57914	0.2
101.06026	2.0
102.09172	0.8
103.03290	0.7
103.05484	0.4
103.09523	0.9
105.03439	0.3
105.07034	7.3
107.08567	0.3
111.04437	4.1
113.05976	0.3
113.96403	0.2
115.05448	1.2
116.06261	1.1
117.07022	4.2
119.08586	9.8
127.07569	0.7
128.06187	1.2
129.05540	1.1
129.07013	6.2
130.07831	2.1
131.08575	52.9
131.92975	0.6
132.08936	0.7
133.10135	2.0
142.07785	0.7
143.08569	16.2
144.08333	0.4
144.09375	5.7
145.06500	0.4
145.10132	21.1
149.94070	0.8
153.06934	0.3
155.05933	0.3
155.07047	2.7
155.08546	1.1
156.09344	1.3
157.10168	1.2
158.07379	1.4
158.10921	31.4
159.11752	1.2
168.21863	0.3
171.11745	2.1
173.08226	4.5
173.09677	4.5
173.13269	100.0
173.17308	11.0
174.13661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05508	1.4
58.53242	0.4
66.39804	0.6
67.05487	0.8
76.02229	0.9
76.02898	0.6
76.90853	0.5
78.07398	0.4
79.05485	1.4
81.07054	2.1
83.04990	1.5
91.05477	7.6
98.20776	1.8
100.11237	2.8
101.06006	0.9
103.03298	1.4
105.07032	9.9
111.04456	2.5
115.05457	1.5
116.06251	2.4
117.07024	3.6
118.06617	0.7
119.08571	2.9
128.06180	0.7
128.14375	1.1
129.05505	0.9
129.06993	5.4
130.07796	2.3
131.08565	100.0
132.08913	0.6
143.08591	3.9
144.09352	3.6
145.07619	0.9
145.10115	11.8
145.11165	0.9
155.07021	0.9
155.08580	0.7
157.10123	0.8
158.07262	0.9
158.10925	7.1
171.11635	1.3
173.08362	4.7
173.09698	2.1
173.13266	54.3
174.12770	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.62228	0.5
53.03943	0.5
55.05517	5.1
59.04995	0.9
65.03934	0.6
67.05503	2.7
69.05026	0.4
70.27974	0.4
71.53168	0.5
72.08184	0.4
72.08659	0.4
72.93790	0.5
76.02254	0.5
76.80732	0.4
77.99567	0.4
79.05498	2.7
79.62222	0.4
81.03428	0.6
81.07073	2.4
83.04986	4.8
84.67951	0.4
89.02431	0.6
89.13779	0.4
90.90376	0.6
91.05489	8.3
93.07047	1.7
99.04448	0.6
100.11258	1.0
101.06021	4.2
103.03302	1.1
105.07043	10.4
111.04443	6.1
113.06023	0.5
115.05455	2.0
116.06252	1.9
117.07027	7.5
119.08593	12.2
127.07558	0.7
128.06181	1.4
128.14357	1.2
129.05548	2.2
129.07016	9.6
130.07826	4.1
131.08574	61.3
132.08879	0.6
133.10135	1.8
142.07799	1.0
143.08566	19.1
144.09351	7.5
145.10129	33.1
149.94095	0.8
155.03394	1.1
155.07037	5.3
155.08553	1.0
156.09328	1.4
157.10132	1.1
158.07297	2.1
158.10927	21.9
171.11693	1.6
173.08212	8.4
173.09662	7.5
173.13271	100.0
174.12561	0.6
174.13707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54480	0.8
55.01863	1.4
55.05516	22.5
55.93506	2.1
57.03462	1.1
59.05006	4.5
63.82454	0.9
67.05492	2.4
69.03424	1.4
69.07072	9.2
70.06567	1.2
70.95850	1.5
71.02501	1.7
71.04978	1.8
71.06110	5.2
71.08643	1.0
72.93793	51.9
73.02913	2.9
73.06568	4.8
74.09627	0.9
81.07064	2.1
83.04990	22.8
84.04514	1.0
85.01174	0.9
85.02916	1.8
85.06535	2.7
85.07667	1.1
86.09712	100.0
86.96127	0.9
87.04477	1.9
89.02377	2.1
89.94051	2.2
90.90382	6.2
90.94831	45.2
91.05436	1.0
93.07036	0.9
97.02861	1.3
97.06532	7.8
99.02679	1.5
99.04475	2.0
101.06025	16.8
107.95071	1.4
108.95869	7.7
109.06519	2.6
111.04446	32.9
112.01100	0.9
113.02372	0.8
113.06001	3.8
113.96416	9.2
114.09250	1.1
115.07570	4.8
117.07018	1.5
120.57113	1.0
127.07557	3.6
127.11397	1.6
127.12336	31.1
128.10733	1.0
129.05502	6.9
130.06563	0.9
131.08566	1.5
131.81561	0.9
131.93010	4.8
131.95216	0.9
131.96150	5.2
131.97473	2.8
132.10205	9.6
132.95830	2.1
137.05974	1.3
145.06526	1.4
145.10123	1.1
146.78073	0.9
147.01305	1.3
149.94160	6.5
149.96130	25.3
149.97221	3.8
150.96889	2.3
154.97849	1.8
155.03404	1.2
155.07042	22.8
155.11787	4.1
155.97397	1.3
156.10216	4.7
157.58691	0.8
158.10867	1.6
167.97191	19.4
173.04572	1.1
173.08136	34.8
173.12878	67.2
177.71292	0.9
180.34521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1335
Annotation	gabapentin
Peak:m/z	Relative Intensity
50.95824	0.4
53.03967	0.5
55.01869	0.5
55.05269	0.7
55.05516	10.0
55.79863	0.4
56.05048	0.6
56.96572	0.8
57.03438	3.1
57.07091	1.7
59.05006	5.7
60.77231	0.4
65.03930	1.0
67.05510	92.6
68.05849	0.4
69.03439	0.7
69.07077	3.3
69.50317	1.2
69.50729	1.2
70.06593	0.8
71.05000	3.5
72.04514	0.6
75.06368	0.4
79.05497	1.1
81.03382	0.5
81.07063	11.0
82.58688	0.3
83.04961	1.0
83.08621	8.7
84.08150	1.3
85.06551	3.0
86.06052	0.6
87.04460	0.5
88.03988	4.7
89.07189	0.6
89.90698	1.1
90.90399	0.5
91.05490	4.4
93.07044	3.7
95.04961	0.7
95.08613	9.4
98.06046	0.6
99.08081	0.5
101.06019	0.6
107.08601	1.2
109.10164	100.0
110.10482	0.9
111.04443	1.4
111.08085	3.2
112.07558	0.5
113.05984	0.5
119.08591	7.1
126.09163	1.5
127.11217	0.8
128.02342	0.8
130.08653	1.2
130.93253	0.4
131.08563	1.0
131.93001	0.4
137.09651	4.9
139.53076	0.5
140.00198	0.5
144.08041	0.6
145.10152	0.6
149.93993	0.4
152.06221	0.3
154.12256	0.9
155.07039	0.7
155.10681	9.0
155.12645	0.6
157.09758	0.7
158.10873	0.6
172.09763	0.6
172.11082	0.6
172.13351	2.1
172.15312	0.7
172.16968	1.5
173.08357	0.8
173.11758	26.1
173.13229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03932	1.3
55.01876	11.4
55.05512	25.5
56.33055	1.0
57.03439	50.7
57.07070	3.7
59.05000	2.7
65.03954	5.6
67.05506	42.3
68.99771	1.5
69.03409	2.7
69.07069	45.4
70.94263	1.1
71.04990	15.6
71.30305	1.9
72.04519	26.3
72.08148	1.8
73.06548	4.0
74.75917	1.2
79.05483	11.2
81.03416	2.3
81.07055	30.6
83.04981	13.4
83.08618	33.0
84.04498	2.2
85.02895	2.4
85.06536	6.8
86.09702	2.1
88.95281	1.9
89.07157	23.8
91.05481	3.1
93.03386	1.5
93.07046	18.5
95.04960	2.9
95.08607	9.2
97.02924	1.9
97.06539	15.7
97.10196	3.2
98.97556	1.4
99.08070	1.6
100.11263	1.7
101.05994	1.5
107.04961	2.2
107.08587	20.4
107.50734	1.1
109.06528	3.4
109.10156	100.0
110.01248	1.2
111.04440	16.2
111.08083	22.1
112.07595	1.7
115.03882	1.2
115.05466	1.4
117.07074	1.1
119.08566	1.5
121.03985	1.4
123.11713	3.7
125.06023	2.3
125.09653	5.7
127.11199	25.4
128.06227	3.6
129.07083	1.2
130.05074	1.2
135.08087	2.5
135.11678	11.2
139.03914	17.1
139.07579	1.1
141.12735	6.8
143.06001	3.4
143.08549	4.0
153.09097	5.4
153.12752	13.8
156.09348	7.7
171.02954	2.5
171.05414	5.9
171.06787	1.5
171.07961	2.2
171.10193	2.2
171.11705	6.4
171.13722	3.0
171.14957	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03936	3.9
54.10109	1.1
55.01862	4.5
55.05515	32.3
56.96545	1.8
57.03449	8.5
57.07071	4.8
59.05004	6.9
65.03947	2.9
67.05186	2.0
67.05508	29.9
69.03414	4.5
69.07069	20.3
69.33249	10.2
69.60495	1.3
70.06589	1.5
71.04999	29.2
72.04521	37.6
73.02907	2.3
73.06544	6.1
75.50510	1.3
79.05068	2.0
79.05496	20.6
80.52873	1.3
81.07061	54.8
83.04977	9.3
83.08150	2.4
83.08622	31.5
84.04492	3.7
84.08118	1.6
85.02886	1.9
85.06532	5.3
86.09687	2.3
87.94379	1.4
88.95325	1.6
89.07159	38.5
91.05482	12.4
93.07049	73.5
95.04962	3.9
95.08613	53.1
97.02851	2.0
97.06544	35.9
97.10153	2.8
98.20809	3.2
98.97562	2.2
100.07616	1.3
100.11238	2.6
105.07019	4.5
107.08601	100.0
109.06524	2.3
109.10166	63.9
111.04443	11.3
111.08089	15.3
111.11559	1.3
115.05439	3.1
119.01810	2.5
119.08547	2.9
123.11713	32.8
125.06000	3.9
125.07955	1.5
125.09654	10.6
126.09161	1.7
127.11154	1.8
128.06209	10.9
129.06982	5.5
133.10167	1.8
135.08067	1.8
135.11699	78.2
136.12024	1.3
139.00256	1.7
139.03900	10.3
141.07016	7.4
141.12764	13.1
142.07765	2.6
143.08578	19.9
143.10551	1.6
153.05478	2.5
153.06932	1.5
153.09106	4.1
153.12764	26.9
155.08522	3.5
156.09360	52.9
160.42387	1.8
171.02921	3.1
171.05542	5.0
171.07942	3.9
171.09236	17.2
171.11673	46.1
171.13708	2.4
171.14941	33.8
172.07610	1.5
173.11662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03936	5.8
55.00558	2.0
55.01877	25.8
55.05512	48.3
57.03438	55.0
57.07067	5.5
59.04991	7.8
60.89833	1.7
65.03931	7.6
67.05508	67.8
68.99809	1.7
69.03419	8.0
69.07073	61.6
70.04188	2.9
70.04593	6.7
70.06587	1.8
70.94275	2.2
71.04994	73.2
72.04516	36.8
73.02934	2.7
73.06560	15.4
79.05026	1.9
79.05495	76.9
81.03408	5.6
81.07059	99.2
83.04985	23.9
83.08617	36.7
85.06551	33.7
87.04455	5.4
89.07154	31.2
91.05488	19.4
93.03394	5.7
93.07046	57.2
95.04960	6.4
95.08623	17.2
97.02888	5.6
97.06527	34.6
97.10164	5.9
98.21371	2.3
99.04452	24.8
99.08094	4.8
101.06028	3.6
105.07014	7.1
107.04963	24.0
107.08598	98.1
108.09005	1.8
109.06545	5.8
109.10159	100.0
111.04441	31.0
111.08085	18.8
115.05450	4.6
117.07030	23.5
119.06098	2.7
123.11700	21.5
125.06002	5.7
125.09633	24.7
127.11205	30.8
128.06248	3.7
135.08055	40.9
135.11700	53.2
139.00249	1.9
139.03905	15.6
141.12749	47.8
141.13860	2.5
143.06075	2.4
143.08537	5.9
153.05444	3.3
153.09088	19.8
153.12753	61.9
156.09370	6.2
171.05496	6.4
171.06645	3.5
171.07961	3.0
171.09187	6.7
171.10301	4.0
171.11543	11.1
171.13756	8.4
171.15005	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	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
51.90187	1.2
53.03962	2.0
55.01883	2.0
55.05516	23.3
55.05771	0.8
56.96577	2.9
57.03443	2.7
57.07083	2.6
59.05008	12.8
61.02929	8.1
67.05507	26.2
69.03447	1.3
69.07072	20.8
69.62014	7.9
71.05001	18.2
71.08633	1.7
72.04520	39.7
73.02924	1.6
73.06562	2.8
79.05500	7.1
81.07064	10.4
83.04974	10.2
83.08619	19.6
84.04515	2.5
85.02902	1.5
85.06562	3.7
89.07162	36.7
91.05505	5.1
93.07050	33.8
95.08614	100.0
97.06521	12.3
97.10155	2.0
98.97612	3.8
100.11247	2.8
101.06064	1.9
101.09682	1.4
105.07037	2.5
107.08604	42.4
109.06515	2.1
109.10165	94.4
111.04489	4.0
111.07475	1.1
111.08090	7.1
111.11712	10.1
112.07634	1.9
113.09628	6.0
116.98667	1.9
117.07080	1.5
119.01799	1.5
119.08579	1.9
125.06016	2.0
125.09679	3.5
128.02383	2.8
128.06235	4.6
129.07033	3.6
130.52580	1.3
135.11700	73.2
136.12083	1.3
139.00266	1.2
139.03854	1.4
140.66321	1.1
141.06992	2.5
143.08588	8.7
153.05505	1.3
153.09186	1.8
153.12753	76.5
156.09355	17.2
171.05598	5.0
171.08090	2.0
171.11700	33.7
171.13745	1.9
171.14949	36.9
171.16359	2.4
190.29521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.2
55.05500	4.8
68.99791	66.6
69.03416	6.7
69.07037	3.3
70.03266	6.1
70.03651	4.0
72.04509	8.9
72.58420	2.5
79.05486	3.1
80.55888	2.4
80.97364	2.4
83.04989	5.8
83.08604	4.5
88.88524	2.3
89.07150	7.2
97.02893	4.6
111.00058	5.5
111.00810	88.5
111.04428	10.5
125.02341	4.7
125.05978	2.7
139.00270	100.0
139.03891	5.0
153.07452	4.1
157.01309	10.1
171.02686	17.9
171.11299	4.2
171.14938	6.7
179.43675	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	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03932	0.7
55.01876	2.7
55.05309	0.4
55.05512	4.1
56.04577	0.4
56.96580	0.6
65.03944	20.5
65.04292	1.0
67.05509	2.5
68.99792	6.6
69.03430	1.1
69.07072	0.8
70.09319	1.6
70.09669	0.8
70.94254	1.2
71.04990	0.6
72.04524	2.8
73.26833	0.4
79.05472	1.0
81.03432	2.8
81.07057	0.6
83.01354	0.6
83.04986	9.5
83.08638	0.9
88.95296	1.8
89.07175	2.3
92.87601	0.6
93.03407	10.3
95.04987	0.9
96.02104	1.2
97.02882	1.8
109.02816	0.6
109.06557	0.7
111.04448	68.1
121.02902	1.4
121.04000	7.7
123.40923	0.4
125.05980	0.6
125.09710	0.5
135.04454	0.4
136.96040	0.4
138.54185	1.2
139.03909	100.0
140.04279	0.9
146.01251	0.5
147.54646	1.1
147.96558	0.7
156.37827	0.5
171.02884	0.7
171.06538	8.6
171.14983	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	171.1016
Annotation	Boonein
Peak:m/z	Relative Intensity
50.61882	0.6
53.03937	2.0
53.75591	0.6
55.05513	81.6
56.96559	0.8
57.03429	1.3
59.04993	0.8
65.91988	0.6
67.05509	2.5
69.07066	3.6
69.79933	1.7
69.80336	2.1
71.04993	1.8
72.04511	7.2
79.05505	3.2
81.07063	2.8
83.04993	2.0
83.08620	100.0
84.08930	0.7
85.06535	1.9
87.04499	0.9
89.07162	5.2
89.93376	0.6
91.05470	1.4
93.07082	1.1
97.06539	2.9
97.10136	0.7
105.07030	0.7
107.04993	0.8
107.08598	18.3
109.10191	1.8
111.04456	2.0
111.08073	2.3
115.05502	0.9
125.06010	1.4
125.09632	14.2
129.09087	0.8
130.01024	1.8
139.03934	1.2
141.07063	0.6
143.08514	0.8
153.05518	0.9
153.09117	5.3
153.12849	1.0
156.09322	3.5
171.09019	1.0
171.10205	2.2
171.11726	2.7
171.14919	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	170.045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	1.4
55.05502	0.3
56.05037	10.4
56.96564	1.0
58.54174	0.3
66.03471	9.5
68.05022	1.5
68.99798	1.0
69.03400	0.4
70.46819	1.1
70.47181	0.4
70.54773	0.3
72.08164	0.9
72.37015	0.3
79.05478	0.6
84.04506	5.3
86.06084	1.5
87.00830	4.3
88.96944	0.4
94.06588	0.4
96.04495	6.2
96.08144	1.8
98.06051	0.4
100.03991	0.5
102.05557	1.6
106.06575	1.1
110.07166	1.3
111.04476	0.7
114.05537	74.8
115.05858	0.5
124.01215	0.4
124.03970	2.3
124.07618	3.4
128.95131	2.6
134.06024	15.4
142.05005	100.0
142.08649	1.6
143.05357	0.9
143.85358	0.4
146.96140	0.6
152.07074	32.4
153.07451	0.5
170.04500	5.8
170.08157	8.0
170.09586	1.1
170.11749	0.6
171.11348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(Z)-2,4-Ochtodiene-1,6-diol
Peak:m/z	Relative Intensity
53.03931	3.7
55.01881	6.4
55.05320	1.1
55.05514	13.3
56.96551	5.1
57.03422	3.2
57.07086	7.0
59.04985	3.9
65.03936	4.1
67.05508	32.1
68.99787	3.6
69.03424	5.7
69.06732	1.6
69.07074	19.2
70.14629	4.4
71.04992	14.8
79.05501	18.4
81.03407	11.7
81.07059	100.0
83.04967	4.5
83.08615	4.2
83.40546	1.7
85.02899	5.5
85.06548	9.2
85.94573	1.5
91.05489	12.5
91.64508	1.1
93.07046	14.3
95.04975	11.6
95.08613	44.7
97.06532	6.3
97.10144	1.7
98.03645	1.6
99.04439	5.1
99.08073	1.9
102.03358	2.3
105.07034	25.9
106.06583	1.2
107.07875	1.9
107.08603	31.9
109.02880	19.6
109.06522	36.2
109.10154	46.5
110.10492	1.2
111.00798	11.4
111.04474	8.1
111.08089	27.5
113.05981	3.9
113.09679	1.1
115.04126	1.4
116.32478	1.0
118.94302	1.3
119.06030	1.4
121.10158	8.8
123.04433	4.1
123.08076	28.9
123.11710	93.8
124.04636	4.0
125.05988	2.8
125.09612	4.8
126.03132	25.3
127.03952	2.5
127.07566	2.4
127.11221	8.2
128.95071	1.5
133.10135	35.8
133.37241	1.1
137.02357	2.0
137.03609	1.6
141.05470	63.0
141.09026	1.5
142.08583	1.7
145.96535	1.7
151.03914	3.7
151.07506	3.5
151.11180	34.4
152.07039	2.2
154.02682	2.9
154.07755	1.6
163.97650	1.3
169.03545	2.1
169.04971	31.2
169.07541	6.6
169.08609	9.9
169.09996	3.0
169.12248	10.7
169.15974	1.5
170.08194	2.2
170.09651	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	169.1225
Annotation	(+)-Eldanolide
Peak:m/z	Relative Intensity
50.63882	0.3
53.03950	0.5
55.01873	1.1
55.05511	3.2
56.96566	1.2
57.03441	2.2
57.07076	0.9
59.04996	0.4
65.03961	0.4
67.05512	2.7
68.20620	0.3
68.99785	0.4
69.03442	0.7
69.07071	3.4
69.67871	1.2
70.62031	0.3
71.05003	4.0
79.05492	1.0
80.69629	0.3
81.03420	1.9
81.07067	4.4
83.04967	1.0
83.08611	0.4
85.02900	0.9
85.06555	1.0
91.05482	1.0
93.07041	1.0
95.04975	1.4
95.08625	3.7
96.36395	0.3
97.06534	0.9
97.10145	0.4
98.03663	0.5
98.21502	0.4
99.04463	100.0
100.04793	0.8
102.03378	0.3
105.07024	0.9
107.08615	1.8
109.02907	3.7
109.06528	2.8
109.09480	0.5
109.10168	4.9
111.00800	2.4
111.04451	1.3
111.08102	2.1
113.05972	0.4
115.04150	0.4
118.94323	0.5
123.04416	0.9
123.08056	1.4
123.11712	1.8
124.04698	0.5
124.07595	0.6
125.09608	0.6
126.03136	3.9
127.03880	0.5
127.07515	0.5
127.11198	1.1
133.10126	0.8
137.09598	0.5
140.70596	0.3
141.05473	10.9
141.06999	0.9
145.96648	0.3
146.04118	0.3
146.98495	0.3
151.03903	0.5
151.07544	0.7
151.11165	1.8
152.03467	0.3
152.07147	0.4
154.07787	0.9
163.97742	0.6
169.04982	5.6
169.08742	0.6
169.10126	2.6
169.12259	20.8
170.08125	0.7
170.09492	0.3
180.88797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
51.10644	0.3
53.00307	0.3
53.03941	0.7
55.01884	1.4
55.05516	2.3
56.02661	0.6
56.96566	0.8
57.03440	0.7
59.05001	1.2
65.03941	0.4
67.05511	12.7
68.99808	0.3
69.03422	1.5
69.07072	4.5
71.04998	100.0
71.08643	1.9
71.52319	0.5
72.05332	0.5
73.06561	0.6
79.05483	2.1
81.03419	2.5
81.07067	4.7
83.04990	0.8
85.02908	1.3
85.06548	2.2
85.94633	0.4
91.05474	2.9
93.07048	4.4
95.04977	3.4
95.08612	10.1
97.06544	0.7
99.04472	2.0
102.03392	0.4
105.07015	0.7
107.08617	1.1
109.02895	2.2
109.06505	2.7
109.10165	9.7
111.00834	1.0
111.04465	1.1
111.08080	1.4
113.06043	0.8
115.04130	0.3
119.08601	2.1
120.53194	0.3
123.04465	0.6
123.08062	1.8
123.11751	1.1
125.09699	0.5
126.03136	2.3
127.07589	0.6
127.11246	0.5
128.95169	0.3
133.10165	0.5
137.09602	2.5
141.05466	5.3
141.06673	0.4
141.07022	0.5
151.03964	0.8
151.07602	0.4
151.11261	0.7
153.07016	0.4
154.07820	0.7
164.49202	0.3
169.04999	2.9
169.07574	0.7
169.10075	2.0
169.12294	1.9
170.08273	0.3
170.15445	1.9
171.37057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03936	2.1
53.40120	0.7
55.01868	1.9
55.05516	6.0
56.58219	0.8
56.96548	1.0
57.03434	3.2
57.07079	5.8
59.04994	3.4
65.03940	3.2
67.05186	1.4
67.05513	22.1
68.99802	2.1
69.03436	9.6
69.07072	22.5
69.71029	4.1
71.04999	11.5
74.71789	0.6
79.05499	7.8
81.03416	4.4
81.07063	48.1
83.04975	3.1
83.08601	2.8
83.09052	0.8
85.02897	2.4
85.06550	12.5
87.04493	0.9
91.05507	4.6
93.03387	1.1
93.07047	7.3
95.04981	17.6
95.07998	0.9
95.08612	16.6
97.02886	1.2
97.06541	5.8
97.10151	1.2
99.04468	7.5
99.08104	1.0
105.07045	6.8
107.04968	0.9
107.07877	1.6
107.08606	28.8
109.02896	13.2
109.06528	26.6
109.10163	100.0
110.10558	1.3
111.00816	7.6
111.04473	3.6
111.08100	4.0
113.06023	6.0
121.10142	1.5
123.04457	1.8
123.08090	11.1
123.11717	72.1
124.04681	2.1
124.07561	0.9
125.05956	0.9
125.09634	17.2
126.03142	12.0
127.03934	1.1
127.07594	1.6
127.11135	1.5
133.10138	7.6
137.09639	1.6
141.05475	37.2
141.09148	1.2
151.03917	1.3
151.07564	3.2
151.11192	18.6
153.09088	1.4
154.02568	1.5
163.97704	1.7
169.04985	16.5
169.06384	1.2
169.07480	4.5
169.08856	1.0
169.10011	1.4
169.12260	20.0
170.09642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	Crocusatin C
Peak:m/z	Relative Intensity
53.03948	1.1
55.01883	2.4
55.05518	4.7
56.96569	2.0
57.03445	1.0
57.07077	9.4
59.05012	2.4
65.03940	2.1
67.05508	20.7
68.93575	0.6
68.99798	1.4
69.03442	3.3
69.07074	10.7
70.06585	0.8
70.35811	1.5
70.36215	1.1
71.05006	5.9
71.05349	1.0
79.05495	5.6
81.03420	4.9
81.07060	24.6
83.04987	2.7
83.08620	6.2
85.02913	2.4
85.06549	4.5
85.94579	1.2
87.22054	0.6
91.05497	3.2
93.07046	6.3
95.04974	4.1
95.08614	10.5
97.02892	0.9
97.06547	2.8
98.03685	0.8
98.58934	0.6
99.04449	1.9
99.08090	1.1
102.03340	0.8
105.07035	3.6
107.04950	0.7
107.08601	8.1
109.02880	10.9
109.06520	15.4
109.10162	86.9
110.06055	0.9
110.10477	1.3
111.00821	5.8
111.04468	3.6
111.08087	100.0
112.08426	0.9
113.06007	2.3
117.93501	0.6
121.10130	1.7
122.19205	0.6
123.04424	2.1
123.08064	6.7
123.11708	15.2
124.04653	1.8
125.09616	1.4
126.03138	8.0
127.03928	1.6
127.07555	1.5
127.11198	100.0
128.11557	0.9
133.10123	3.6
137.05981	5.1
139.11115	0.7
141.05470	27.3
141.07042	1.1
141.09058	0.9
145.96671	0.9
146.96066	0.8
151.03862	1.9
151.07561	2.2
151.11208	8.2
154.02612	0.7
163.97716	1.8
169.04971	14.3
169.07533	2.7
169.08717	1.3
169.09966	1.5
169.12236	21.6
169.13661	1.1
170.08176	0.9
170.09619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(+)-Eldanolide
Peak:m/z	Relative Intensity
52.63894	0.3
53.03949	1.0
55.01870	1.0
55.05507	3.1
56.96566	1.0
57.03441	0.3
57.07068	0.9
58.70911	0.3
59.05015	0.6
67.05503	5.7
69.03442	1.2
69.07068	3.3
70.20459	0.7
71.04601	0.7
71.04996	13.5
79.05495	1.4
81.03409	0.9
81.07058	3.7
83.04987	0.8
83.08627	0.4
85.02933	1.6
85.06558	2.8
85.27621	0.3
85.94617	0.4
89.09415	0.3
91.05480	1.1
93.07050	2.3
95.04957	1.6
95.08614	5.4
97.06532	1.2
99.04457	100.0
100.04806	0.8
101.02434	0.3
102.03387	0.4
105.07030	1.3
107.08603	1.3
109.02858	1.7
109.06518	2.2
109.10157	6.1
111.00829	0.7
111.04464	0.7
111.08084	2.4
113.06025	0.4
113.72456	0.3
119.08621	0.9
123.04427	0.7
123.08067	1.2
123.11723	1.4
124.04683	0.7
124.07560	0.5
125.09650	0.4
126.03110	1.1
127.07533	0.7
127.11221	1.6
128.95128	0.6
133.10199	0.5
137.09621	1.2
141.04539	0.5
141.05469	4.2
141.07057	0.5
146.04135	0.5
146.96107	0.3
151.03929	0.8
151.07533	0.5
151.11211	1.5
152.07013	0.5
154.07765	0.7
163.97694	0.5
169.04976	2.7
169.06378	0.6
169.08682	0.6
169.10132	3.0
169.12241	25.7
170.08107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03950	2.8
54.69061	1.0
55.01871	8.0
55.05512	13.8
56.08606	1.0
56.96556	2.9
57.03429	4.6
57.07080	8.1
59.05005	5.2
65.03941	6.3
67.05508	35.6
68.99780	4.8
69.03433	11.9
69.07069	22.2
69.38925	8.2
70.06596	1.9
71.01361	2.7
71.04998	23.2
73.06561	1.9
79.05493	15.7
81.03425	11.2
81.07059	73.8
81.08860	1.1
82.07404	1.3
83.04977	7.3
83.08620	10.2
85.02922	5.5
85.06544	14.0
91.05479	8.0
93.03391	2.0
93.07047	20.2
95.04972	21.6
95.08609	34.8
97.02891	2.2
97.06526	11.6
97.10178	5.9
98.03695	2.6
99.04459	11.6
99.08101	3.8
101.05991	1.2
102.03347	1.7
103.05437	1.2
105.07036	12.4
107.07889	1.3
107.08604	26.4
107.57713	1.0
108.02087	1.0
109.02890	27.2
109.06521	42.9
109.10159	81.8
111.00806	15.8
111.04475	8.9
111.08084	100.0
113.06035	9.0
117.71084	1.0
119.00140	1.1
121.10148	10.5
123.00816	1.1
123.04435	4.6
123.08072	36.2
123.08963	2.1
123.11711	63.6
124.04673	2.2
124.07618	1.6
124.11243	1.6
125.09643	25.5
126.03152	28.4
127.03931	1.5
127.07549	3.1
127.11169	2.3
131.34109	1.0
133.02939	1.1
133.10130	10.7
135.08041	1.7
137.05879	1.3
138.10394	10.7
139.11177	14.0
141.05469	78.4
141.09105	2.0
142.12292	1.3
146.04083	1.3
146.96135	1.2
151.03902	3.1
151.04997	1.4
151.07562	7.0
151.11191	29.0
153.05011	1.1
154.02605	3.2
163.97729	1.9
169.04982	36.5
169.07475	10.1
169.08510	1.9
169.10060	1.7
169.12245	59.3
170.02769	1.6
170.08160	1.5
170.09583	1.5
170.11800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	Geranic acid
Peak:m/z	Relative Intensity
51.39742	1.2
53.03937	3.0
55.01867	3.0
55.05523	8.7
56.96558	2.3
57.03444	9.6
57.07072	2.2
59.05008	12.0
65.03932	2.0
67.05511	93.8
68.80186	1.2
69.03420	4.4
69.07076	8.0
69.20918	5.7
69.21344	7.2
71.04997	12.2
71.82616	1.5
72.04493	1.2
73.06561	1.6
78.16257	1.3
79.05502	36.7
80.15417	1.3
81.03432	5.1
81.06593	2.0
81.07065	38.6
83.04969	1.7
83.08626	2.1
85.06547	6.0
87.04435	1.4
89.06013	1.5
91.05487	37.6
93.06487	2.6
93.07053	32.4
95.05000	7.6
95.08611	36.5
97.06532	5.4
98.03663	1.7
99.04433	4.8
99.08075	3.5
99.31774	1.5
101.06006	3.2
104.27621	1.5
105.07030	4.5
107.08582	16.7
109.02859	7.6
109.06533	16.2
109.10165	100.0
111.00814	4.3
111.03832	1.5
111.04485	2.0
111.08084	19.1
113.05994	1.8
114.56007	1.5
115.04111	2.4
117.07021	4.9
119.08595	41.0
121.10146	3.0
123.04436	2.7
123.08061	7.9
123.11707	28.0
124.04651	3.7
125.09602	2.7
126.03140	5.6
127.03932	2.2
127.07516	2.3
127.11201	3.3
128.06223	1.4
129.06958	2.1
131.08534	2.8
137.09628	24.2
140.28889	1.2
141.05464	20.0
141.06984	8.9
151.04007	1.6
151.07550	2.2
151.11206	18.8
152.03458	2.7
153.06999	4.9
154.07800	21.4
163.97725	1.3
167.08562	3.6
169.04926	12.6
169.06189	1.7
169.10120	52.3
169.12236	19.6
170.08260	1.9
170.09610	3.0
183.41960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.01830	0.7
53.03931	2.8
54.82900	0.7
55.01873	3.7
55.05505	4.0
56.96547	2.4
57.03431	1.5
57.07080	3.9
59.04985	1.3
65.03940	3.6
67.05508	18.9
67.93565	1.0
69.03438	7.4
69.07076	10.9
70.84769	1.7
71.04984	5.4
79.05081	1.2
79.05499	16.9
81.03428	4.2
81.07059	67.7
83.04990	1.9
83.08603	2.1
85.02894	3.3
85.06546	8.5
85.94628	0.9
91.05485	74.3
92.05785	1.0
93.07050	9.3
94.04213	0.9
95.04972	85.8
95.08607	14.9
96.05247	0.8
96.08090	1.0
97.06516	1.7
97.99171	0.7
98.03671	1.2
98.20860	0.8
98.71117	0.7
99.04475	4.2
99.08073	3.2
105.07030	4.0
107.08608	5.8
108.05783	1.0
109.02892	9.9
109.06522	100.0
109.10155	21.3
111.00787	5.2
111.02055	0.9
111.04479	4.8
111.08071	4.9
113.06011	1.7
113.25891	0.7
118.01884	0.8
119.04916	2.8
123.04432	2.1
123.08081	11.1
123.11724	8.7
124.04652	2.1
124.07549	1.5
125.06003	2.7
125.09604	0.9
126.03137	9.5
126.37386	0.7
127.03915	1.1
127.07574	6.8
127.11209	3.8
128.54591	0.7
128.95061	0.8
133.10124	2.8
137.05994	9.5
141.05467	25.6
141.07039	1.1
141.09084	2.3
142.08670	1.0
146.04095	0.9
148.74072	0.8
151.03928	1.6
151.04964	0.9
151.07582	7.6
151.11205	5.3
152.03404	1.4
154.07777	1.9
155.07022	7.8
163.02898	0.9
163.97801	1.8
169.04961	13.7
169.07533	2.4
169.08603	13.9
169.10080	2.8
169.12231	2.9
170.08176	1.2
170.09613	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.08236	0.7
52.56630	0.7
52.81937	0.7
53.03940	2.3
55.01864	2.2
55.05502	3.0
56.96565	4.2
57.03439	1.7
62.60711	0.6
65.03938	2.2
67.01845	0.7
67.05508	13.4
68.93584	0.9
69.03433	6.7
69.07075	5.8
70.35198	2.3
70.95449	0.7
71.05000	6.9
71.08620	0.8
79.05074	1.2
79.05499	16.2
81.03416	3.3
81.07061	61.5
83.04992	1.0
83.08621	2.1
83.88067	0.7
85.02896	1.3
85.06550	4.1
85.94576	1.0
91.05487	74.4
92.05814	0.8
93.07046	6.0
95.04974	91.4
95.08607	7.1
95.29729	0.7
96.05230	0.7
97.06523	1.5
99.04468	5.4
99.08107	3.0
102.03354	0.8
102.12748	0.8
105.07051	1.6
107.04975	0.9
107.08622	2.1
109.02879	5.4
109.06524	100.0
109.10148	4.7
109.31287	0.8
110.06824	0.9
111.00805	3.2
111.04454	2.3
111.08108	3.5
113.05983	1.1
115.04129	1.1
119.04968	3.2
123.04422	1.6
123.08070	7.5
123.11709	2.2
124.04671	2.2
124.07552	0.9
125.06014	1.2
125.09683	0.8
126.03127	6.7
127.03906	0.9
127.07551	5.5
127.11200	2.6
128.94994	0.8
130.56656	0.8
132.29108	0.7
133.10129	1.3
137.05978	10.8
139.36409	0.7
141.05487	15.9
141.09094	1.0
141.12737	1.1
142.08650	0.7
151.03932	2.4
151.07536	6.5
151.11165	1.4
152.03404	0.8
152.07092	0.9
153.07030	0.8
154.07803	2.5
155.07050	7.9
163.97734	1.4
169.04999	7.7
169.06409	1.4
169.08636	10.6
169.10124	6.1
169.12305	2.8
170.08180	1.2
170.09599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	Methyl 3,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
51.33360	0.4
53.03944	1.7
55.01871	0.9
55.05515	1.1
63.04391	0.4
65.03944	1.9
67.05527	0.7
68.99793	4.2
69.03467	0.6
70.56593	1.1
71.04978	0.5
81.03423	9.5
83.04988	1.4
85.02876	0.7
93.03398	1.0
95.04961	1.2
95.08588	0.4
97.02898	1.4
98.03683	4.2
108.02144	0.7
109.02887	28.2
111.00812	21.3
111.04448	3.0
113.06025	0.7
123.04427	0.6
124.01539	1.1
125.05949	0.5
126.03141	35.9
127.03969	0.8
137.02402	1.1
141.05469	100.0
142.05769	1.2
151.03896	0.8
151.05034	0.7
154.02606	5.6
169.04970	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94095	6.2
53.93983	2.2
56.94296	1.3
56.96577	5.5
59.93087	1.3
66.01842	0.9
67.93571	73.7
68.93565	1.4
68.94355	5.9
70.06570	0.8
71.40920	1.0
71.41249	1.2
72.93793	2.8
78.96114	0.9
81.03409	1.6
82.94830	2.4
83.93050	4.8
84.93051	1.5
84.93826	2.9
85.92883	1.6
85.94608	69.7
85.97282	1.8
86.94626	1.6
98.97593	2.7
101.94045	1.6
102.03298	0.9
102.94848	5.2
103.94913	1.0
103.95636	21.6
103.98338	7.7
107.69801	1.1
108.96078	1.5
109.02868	2.0
110.94037	0.9
110.95334	1.6
111.94884	1.6
113.47836	0.9
113.94026	1.3
113.96380	2.2
115.04144	1.1
117.93567	17.8
117.95972	9.8
118.94335	15.4
118.96799	6.1
118.97552	1.0
119.94351	1.2
119.95103	4.0
121.01644	1.6
121.96790	2.6
121.99368	12.5
122.06030	1.7
123.97440	2.4
124.04651	3.5
125.96481	5.0
126.93744	1.1
126.95692	9.2
126.97222	48.0
126.99858	1.7
127.03902	1.5
128.95139	14.8
128.96400	5.3
130.97507	2.2
131.95107	10.6
131.97446	1.1
133.47736	1.4
135.96982	2.1
140.00398	3.4
140.95131	100.0
141.95038	1.4
141.95929	2.7
142.48242	1.4
142.96690	2.2
143.96603	1.1
144.96713	8.4
144.98264	18.1
145.00948	18.2
145.96625	2.9
146.96292	1.7
146.97437	21.4
150.05522	1.2
150.09200	1.0
152.96370	1.0
158.96233	1.7
162.96928	1.4
163.01984	11.0
163.97681	3.6
167.98386	0.9
167.99855	2.5
168.02563	1.1
168.06523	2.5
168.10191	1.1
169.99052	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	168.1021
Annotation	Norpandamarilactonine A
Peak:m/z	Relative Intensity
53.03939	0.5
55.01877	0.4
55.05496	0.4
56.96572	0.6
62.77924	0.3
67.05495	0.9
67.34031	0.3
67.93556	0.8
68.05025	0.4
69.03422	0.7
69.07073	1.7
69.23889	0.2
70.06571	0.3
71.04990	0.3
71.52026	0.3
75.24043	0.3
77.28983	0.2
79.05035	0.3
79.05492	1.0
80.05027	0.6
80.05839	0.7
81.03419	0.7
81.07063	1.7
82.06573	0.7
83.04969	0.4
84.05280	0.2
85.94595	0.6
91.05488	0.4
93.07032	0.5
94.06580	1.5
94.07352	0.4
95.04958	0.7
95.08585	0.9
96.04482	0.5
97.06540	0.5
98.06070	0.3
99.04471	0.3
105.07034	0.3
106.03730	1.0
106.06576	0.7
106.07299	0.2
107.07349	0.7
107.08601	0.6
108.04517	0.3
108.08111	1.1
108.08920	1.1
109.02892	1.6
109.06551	1.3
109.10150	0.8
110.06035	1.2
110.06852	1.1
111.00745	0.4
111.04441	0.4
112.03944	0.3
112.07610	0.5
118.94292	0.4
122.06026	1.1
122.06828	0.3
122.10485	0.7
123.04421	0.3
123.08060	0.7
123.11737	0.5
124.03934	0.3
124.04755	0.5
124.07606	2.9
125.08413	1.5
126.03139	0.6
126.05509	0.9
126.09982	0.5
126.97276	0.4
127.03939	0.4
132.08952	0.4
135.06793	0.3
136.07585	15.6
138.05508	10.7
138.06386	0.2
138.09108	0.3
140.03445	0.4
140.07045	1.4
140.10715	0.6
140.95120	1.1
141.05464	1.9
145.00978	0.3
150.05486	1.1
150.09134	0.9
151.03853	0.5
151.11168	0.3
152.07072	2.3
153.07857	31.3
168.06389	2.1
168.10207	100.0
169.04950	0.8
169.10507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.68715	0.4
53.03947	2.3
55.01868	1.3
55.05513	9.6
57.07077	1.8
59.05011	3.2
65.03928	0.6
67.05509	4.6
69.03416	2.4
69.07073	37.2
70.26014	1.7
70.48846	0.5
70.54163	0.5
77.03941	0.9
79.05497	14.0
81.07056	10.3
81.07527	0.6
83.04994	2.1
83.08624	2.2
84.96043	1.5
91.05486	11.0
93.07049	76.0
94.07400	0.9
95.04976	3.0
95.08613	11.8
97.06533	5.9
97.10167	1.4
103.05467	1.0
105.04554	0.7
105.07037	17.7
106.07827	1.2
107.04964	1.3
107.08615	4.6
109.06509	1.9
109.10192	1.5
111.04440	0.7
111.08138	0.5
111.11731	8.1
119.08604	3.4
121.01672	0.8
121.10151	100.0
122.10574	0.6
123.08091	6.0
125.06015	1.1
125.09647	0.7
125.96439	0.7
131.08609	0.6
133.07587	3.0
139.07559	0.6
139.11172	3.7
143.96739	1.1
144.03265	0.7
149.09628	16.1
163.03952	0.7
167.07004	1.9
167.10681	44.3
167.15457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0341
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
53.03936	0.8
56.96544	0.4
64.82336	0.3
65.03939	4.0
67.05491	0.6
69.07061	0.5
69.64957	0.7
69.65370	1.3
79.05495	3.2
81.07060	0.8
83.04975	0.6
91.05448	0.4
93.03407	1.3
93.07041	1.3
95.04971	0.5
95.08609	0.5
97.02923	0.4
97.06518	0.5
98.20809	0.5
105.03412	0.5
105.07054	0.3
107.04942	1.0
107.08601	0.6
109.06557	0.3
111.04425	0.9
115.04153	0.4
119.04934	0.5
121.02865	12.7
121.03963	1.9
121.06490	0.6
121.08440	0.6
121.10148	0.8
135.55437	0.4
144.03258	0.3
149.02347	100.0
149.09647	0.6
150.02676	1.2
167.03447	1.5
167.07019	2.6
167.10710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	5-(3-Pyridyl)-2-hydroxytetrahydrofuran
Peak:m/z	Relative Intensity
53.03946	0.6
53.20924	0.3
55.05510	0.7
56.55021	0.3
56.96567	0.4
59.25449	0.3
67.04241	1.2
67.05501	0.7
69.03436	0.5
69.07044	0.4
69.20958	3.3
75.62577	0.3
79.05491	1.7
80.05026	3.4
81.05341	0.7
81.05797	9.0
81.07080	0.4
82.06580	62.4
83.06937	0.6
83.93047	2.1
85.94605	0.3
88.09712	0.3
88.22219	0.3
91.05494	1.5
92.05805	0.5
93.07043	2.9
94.06573	2.4
95.04986	1.1
95.07333	1.5
96.05303	0.5
98.20668	0.5
102.02261	0.7
103.05462	1.4
105.05743	0.3
107.08630	0.4
108.08127	0.9
109.06567	0.4
110.06036	0.5
110.09684	21.7
115.02458	0.3
115.96466	0.4
118.06539	0.7
119.07327	0.6
120.02046	0.6
120.05284	1.0
120.08110	11.9
121.06525	1.7
121.10179	0.4
122.06043	1.3
123.06812	0.9
136.07593	0.5
137.51665	0.3
137.98299	0.3
138.05522	1.2
138.09146	3.4
138.10118	0.4
142.56625	0.6
142.96693	7.3
143.03720	0.6
143.06340	0.3
148.04822	2.4
148.07561	2.6
148.12006	0.4
150.05490	3.3
151.06271	2.6
151.57173	0.4
164.07060	0.8
165.07033	0.3
165.98343	0.4
166.08640	100.0
167.07071	0.4
167.08929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03947	1.5
55.01876	1.7
55.05511	5.4
57.03443	4.0
57.07076	5.5
59.04984	2.2
65.03928	2.7
67.05505	24.0
69.03439	6.7
69.07073	9.0
71.04965	1.0
71.51757	0.8
73.46088	0.8
77.71088	0.7
79.05498	11.5
81.03421	1.7
81.06591	1.4
81.07059	27.5
83.04975	3.0
83.08607	2.6
85.02897	0.9
85.06538	0.9
91.05482	28.3
93.07040	8.1
94.04216	0.8
95.04971	42.3
95.08608	25.2
101.00882	4.4
103.05452	1.4
105.04548	0.8
105.07037	17.1
107.04945	4.7
107.08598	47.2
108.05723	2.4
108.08940	0.8
109.06517	23.2
109.09408	0.7
109.10152	5.1
110.07275	2.0
114.50086	0.8
117.07010	3.8
119.01943	8.7
119.04948	34.8
119.08587	32.0
120.08113	2.2
121.06514	1.8
121.10146	10.3
123.04446	13.8
123.08069	33.1
123.11701	29.6
124.02472	1.5
129.06978	1.4
132.05693	3.5
133.06500	1.1
135.08043	1.0
135.11707	1.1
136.08795	0.9
137.02953	0.9
137.05971	1.7
137.09598	6.0
137.12328	1.5
137.13243	5.8
142.03500	9.1
147.04414	85.6
147.08043	20.2
147.11674	12.5
148.04750	1.6
160.04555	1.8
165.05563	4.2
165.09074	9.0
165.12756	100.0
166.13084	1.0
174.79663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
51.92041	0.2
55.05511	3.1
57.07084	0.2
60.81233	0.2
62.49632	0.2
65.03938	0.3
65.69903	0.2
67.05519	1.3
69.03424	0.4
69.07072	2.4
70.97024	0.3
70.97363	0.4
71.04988	0.6
77.26071	0.2
79.05488	1.8
81.03423	0.8
81.07055	4.7
83.04982	0.6
83.08623	2.9
85.06547	0.5
91.05489	1.5
93.07059	1.4
95.04970	100.0
95.08602	2.9
96.05303	0.8
97.06508	0.2
101.00893	0.4
105.07035	3.6
107.08598	9.4
107.64368	0.2
109.06520	21.5
109.10164	0.4
110.06784	0.2
119.01936	0.7
119.04957	1.6
119.08598	2.7
121.10130	1.7
123.08058	0.9
123.11735	1.3
127.72903	0.2
137.09589	0.6
137.13271	1.3
142.03511	0.8
142.96750	0.2
145.77037	0.2
147.04401	3.6
147.11690	9.3
165.12756	63.7
166.13150	1.0
176.73940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03963	0.9
55.01879	0.5
55.05513	4.2
55.05717	0.4
56.96572	1.0
57.03444	1.6
57.07063	2.2
59.05017	1.0
65.03958	1.5
67.05506	7.7
69.03428	2.4
69.07060	2.6
71.05009	1.0
77.03939	0.5
79.05494	7.5
81.03423	3.0
81.07058	21.9
83.04980	2.1
83.08646	1.9
83.93056	0.5
85.06567	1.3
91.05482	26.2
93.07047	10.0
95.04977	3.9
95.08607	10.1
95.09178	0.7
97.06538	1.9
97.20960	0.4
99.52613	0.4
100.02502	0.7
101.00878	2.7
103.05470	0.8
105.03416	2.0
105.07031	19.0
107.08598	13.9
109.06519	7.2
109.10160	4.2
117.07006	0.5
119.00161	0.7
119.01935	6.0
119.04946	38.2
119.08578	13.6
120.08096	1.2
121.10150	16.2
123.04424	2.1
123.08051	3.6
123.11707	6.2
124.02454	0.7
133.06717	0.6
135.08127	0.5
137.02951	1.3
137.05971	1.4
137.09622	3.3
137.13281	1.4
142.03500	7.5
142.96683	1.3
145.10117	0.9
147.04413	100.0
147.11688	24.8
148.04794	0.7
148.12061	0.7
158.84404	0.4
160.04520	1.2
165.05525	2.8
165.06657	0.4
165.07687	0.5
165.09111	4.0
165.12752	24.5
166.08578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.1
69.21684	0.8
69.22109	2.0
81.45548	0.3
91.05485	20.0
95.04968	0.9
98.20734	0.6
104.01263	0.3
119.04947	43.4
123.04433	1.2
145.77141	0.3
147.04413	100.0
148.04759	0.8
157.24275	0.3
164.66463	0.4
165.05513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.58010	0.2
57.04160	0.2
65.03946	0.9
66.49136	0.2
70.97241	0.5
81.07069	0.3
89.03879	0.2
91.05488	20.8
93.07042	0.3
95.04980	1.1
99.54314	0.3
101.00890	0.6
103.05484	0.4
109.06453	0.3
114.50123	0.3
119.04950	45.4
120.05257	0.4
123.04463	1.3
124.86985	0.3
137.02914	0.3
137.06017	0.3
142.03482	0.6
147.04419	100.0
148.04773	1.1
165.04321	0.3
165.05516	1.8
165.09204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.01596	0.2
52.32848	0.2
53.03935	0.4
54.27871	0.2
65.03935	0.7
66.36050	0.2
69.66277	1.5
69.79292	0.2
86.55380	0.2
91.05486	18.7
95.04964	0.5
119.04949	41.0
120.05265	0.4
121.06521	0.3
123.04442	1.2
130.25574	0.3
134.36545	0.3
135.30530	0.3
147.04416	100.0
148.04762	1.5
165.05493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
62.41115	0.3
65.03945	0.7
65.52128	0.3
70.52807	0.7
70.53150	0.4
73.14656	0.3
91.05486	18.1
95.04961	1.4
97.91766	0.3
101.00867	0.6
112.74853	0.3
119.01974	0.7
119.04949	41.7
120.05242	0.4
120.08123	0.7
123.04442	2.1
127.73598	0.3
141.26770	0.3
142.03503	0.6
147.04417	100.0
148.04752	1.3
165.05499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
65.03936	0.9
67.60806	0.3
70.90433	0.3
70.90751	0.4
91.05485	19.9
93.07070	0.2
95.04965	1.5
101.00889	1.3
103.05417	0.4
119.01935	1.9
119.04947	44.2
119.08549	0.6
120.05270	0.5
120.08086	0.4
120.66718	0.2
121.00542	0.4
123.04451	1.8
123.08057	0.3
130.01001	0.4
130.32779	0.3
137.05991	0.4
137.09541	0.4
142.03503	2.2
147.04414	100.0
148.04759	1.0
155.88689	0.3
158.93089	0.3
160.04500	0.3
165.05521	2.1
165.09068	0.7
171.76392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.03949	3.1
54.00475	0.4
54.69994	0.4
55.01880	0.4
56.05058	0.4
60.12386	0.3
65.03941	0.7
67.05531	0.4
68.04496	0.4
69.03442	1.2
69.71674	1.5
77.03941	1.1
81.03409	0.6
91.05488	17.1
92.62445	0.4
93.07056	1.4
93.82954	0.4
95.04976	56.4
96.05283	0.6
101.00875	2.3
103.05469	3.6
105.04523	1.6
107.65681	0.4
109.06556	2.3
119.01942	3.0
119.04948	51.7
120.05270	0.4
121.06515	1.6
123.04437	100.0
124.04784	1.4
127.60453	0.4
134.92548	1.0
137.03091	0.4
137.05988	1.7
142.03513	3.6
144.36172	0.4
147.04419	36.6
148.04747	0.6
160.04556	0.7
165.05432	3.5
165.07596	0.5
166.08720	0.5
166.96730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88904	0.4
56.05037	68.8
63.02718	1.5
71.47339	0.5
71.56422	0.4
74.02444	20.9
74.06082	25.0
82.01446	0.7
84.04510	11.8
85.02910	2.5
100.02474	0.7
101.00893	0.5
102.05546	100.0
108.28353	0.3
119.01934	0.9
142.03510	0.8
142.51538	0.4
164.07416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41115	0.3
65.03945	0.7
65.52128	0.3
70.52807	0.7
70.53150	0.4
73.14656	0.3
91.05486	18.1
95.04961	1.4
97.91766	0.3
101.00867	0.6
112.74853	0.3
119.01974	0.7
119.04949	41.7
120.05242	0.4
120.08123	0.7
123.04442	2.1
127.73598	0.3
141.26770	0.3
142.03503	0.6
147.04417	100.0
148.04752	1.3
165.05499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
52.14119	0.2
58.14449	0.2
65.03951	1.0
67.30653	0.3
71.30276	0.4
91.05488	17.3
95.04964	0.8
101.00884	0.3
119.02000	0.6
119.04950	40.9
120.05275	0.4
123.04440	1.5
142.03535	0.6
147.04417	100.0
148.04761	1.1
160.04478	0.3
165.05524	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03948	3.0
55.01878	1.9
55.05515	5.5
56.96548	0.9
57.03427	1.5
57.07084	2.3
61.02908	0.5
61.73146	0.4
63.81744	0.4
65.03939	0.9
67.05497	1.6
69.03088	0.6
69.03434	9.5
69.07082	2.0
71.04985	1.1
71.06187	0.8
74.97774	0.4
77.03907	0.7
79.01842	0.9
79.05493	9.6
80.93103	1.3
81.03417	1.2
81.07054	4.6
83.04984	1.4
83.08624	0.9
84.08158	0.6
85.02888	1.4
89.03924	2.5
89.06026	2.2
91.05489	13.3
93.07046	18.1
95.04966	8.1
95.08591	2.3
98.97588	1.1
99.04460	0.5
100.02463	1.0
103.03952	0.8
103.05466	9.6
104.04333	0.4
105.03403	1.1
105.04512	1.6
105.07037	13.5
105.74641	0.4
106.06580	0.6
107.04964	5.4
107.08598	25.8
109.06514	2.3
115.05450	1.8
116.98636	0.7
117.03352	2.7
117.05730	1.0
117.07020	8.0
118.03527	0.6
119.01817	0.6
119.04959	1.8
119.08587	8.4
120.08076	0.7
120.09352	0.6
121.06510	22.7
121.10149	22.0
121.95737	2.1
123.08078	3.1
128.06241	0.6
129.06966	0.9
130.06532	2.2
130.07788	5.1
130.52576	0.5
131.04924	11.1
132.08069	3.1
133.02853	4.7
133.06490	1.0
133.07588	0.7
133.10127	1.4
135.03418	0.7
135.04430	10.0
135.05443	1.0
135.08072	6.9
135.11685	10.6
136.07530	0.6
140.98630	0.5
143.08572	1.6
145.02887	2.6
145.06483	2.5
145.10126	20.6
147.08073	0.5
148.08873	2.2
163.01920	0.6
163.03912	39.5
163.07562	6.9
163.11183	100.0
163.14789	3.0
164.07010	0.6
164.11548	1.2
177.00639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03939	3.1
55.05275	0.7
55.05522	10.8
55.16587	0.6
56.96545	0.8
57.03469	0.6
57.07081	6.1
58.18661	0.6
62.01558	0.6
65.03962	0.8
67.05505	1.8
67.08556	0.6
69.07077	29.2
69.74457	3.0
71.08614	0.7
74.14130	0.5
77.03907	0.8
79.05496	13.3
81.07056	3.9
83.08624	15.5
85.02935	0.7
89.03925	2.8
89.06041	1.6
91.05489	9.9
93.07053	27.2
95.04982	2.3
95.08624	5.9
99.04441	1.2
103.03964	1.1
103.05451	3.4
105.03423	0.8
105.04506	1.2
105.07043	15.1
107.04959	3.6
107.08605	78.4
107.45266	0.6
108.09423	3.7
109.06522	1.1
109.10169	2.7
117.03379	2.2
117.07018	2.8
119.04977	0.8
119.06111	1.3
119.08586	8.1
120.09398	0.7
121.06525	1.9
121.10156	100.0
122.10466	1.2
123.08073	1.8
127.03902	0.8
130.06549	1.4
131.04941	3.1
132.08128	0.9
133.02846	3.0
133.07629	1.5
133.10118	1.4
134.10942	1.3
135.04445	7.5
135.08058	1.5
135.11710	22.9
135.12735	1.2
136.07552	0.8
145.02858	2.4
145.06497	1.7
145.10110	5.9
163.03928	26.5
163.07545	3.7
163.11179	16.1
163.12320	1.3
163.14832	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	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01855	2.5
55.05508	3.8
56.96571	1.1
57.03421	1.5
57.07077	4.3
61.08488	1.2
61.93061	0.7
65.03928	2.9
67.05499	2.0
68.99779	0.9
69.03444	4.4
69.07063	2.8
69.43604	4.0
71.05001	4.7
72.08133	1.1
77.03941	0.9
79.05499	18.4
81.03419	7.7
81.07056	8.1
83.04974	1.0
83.08646	1.0
84.08154	1.1
85.02911	18.3
89.03915	19.6
89.06014	2.1
91.05479	14.5
93.03413	1.6
93.07044	16.9
95.04975	9.2
95.08591	2.5
97.02895	1.2
99.04459	31.4
100.02495	1.2
103.03946	44.5
103.05450	11.8
105.03391	2.7
105.04530	3.1
105.07041	12.4
106.06554	2.6
107.04961	13.9
107.08597	26.1
109.02895	4.0
109.06523	1.7
115.05448	3.2
116.06302	0.9
117.03384	17.1
117.05666	1.6
117.07016	10.9
119.01817	0.9
119.04961	2.8
119.05971	1.0
119.08575	8.5
120.08113	1.2
121.06496	7.6
121.10143	17.1
121.95778	1.3
123.08047	0.9
127.03926	27.2
127.07553	0.8
130.06560	4.5
130.07794	3.2
131.04932	14.4
132.08107	6.0
133.02849	10.2
133.06493	1.0
135.04417	44.9
135.08052	8.7
135.11707	9.1
136.07571	1.2
145.01787	1.0
145.02890	14.5
145.03972	1.8
145.04977	1.6
145.06471	7.2
145.10129	17.3
148.08812	1.5
163.03905	100.0
163.07513	14.8
163.08682	1.6
163.11171	63.4
163.12309	4.8
163.14754	5.4
164.04276	1.3
164.07104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01863	3.5
55.05516	4.7
56.20219	0.9
56.96551	2.6
57.03429	2.9
57.07076	5.4
61.01237	0.9
61.02908	1.4
65.03938	1.2
67.05492	3.0
69.03425	6.7
69.07056	4.9
71.04987	3.0
71.52180	1.4
72.08154	1.3
73.02903	1.2
77.03930	1.9
79.05489	17.0
79.65873	0.9
80.04991	1.4
80.93111	2.3
81.03431	8.2
81.07052	9.2
83.04967	1.8
83.08594	1.7
84.08135	2.2
85.02905	16.6
88.59686	1.0
89.03916	11.6
89.06033	2.9
91.05484	18.7
92.02611	1.4
93.06486	1.8
93.07046	22.2
95.04957	7.5
95.08588	3.6
98.94100	1.6
98.97601	1.9
99.04457	26.2
100.02477	1.7
103.03946	37.1
103.05461	18.5
104.04294	1.6
105.03349	2.8
105.04519	2.9
105.07029	15.8
106.06522	2.0
107.04961	17.8
107.08593	32.2
109.02850	2.6
110.01288	1.3
115.05427	2.8
117.03397	10.3
117.05750	1.3
117.07026	12.0
119.04954	3.8
119.08588	10.1
121.06502	9.2
121.10152	20.6
121.95726	1.9
127.03926	22.7
130.06551	5.8
130.07764	5.1
131.04927	22.7
131.11604	1.0
132.08086	8.1
133.02861	15.0
133.06500	1.4
135.04420	32.8
135.08049	11.5
135.11716	13.6
136.07585	1.5
143.08568	1.6
145.02866	7.4
145.03902	1.6
145.06500	6.1
145.08429	3.3
145.10120	20.4
148.08826	4.1
157.35446	1.0
163.03905	100.0
163.07527	22.4
163.11171	83.0
163.12321	6.7
163.14789	7.6
164.04425	1.1
164.07066	1.6
164.11447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03952	2.2
53.73627	0.6
54.88829	0.5
55.01871	0.8
55.05523	0.9
57.07076	0.9
57.70350	0.4
63.02396	1.6
64.07955	0.5
69.03440	0.9
70.96045	1.2
73.16359	0.5
75.84296	0.6
77.03940	0.8
79.05494	9.4
79.05914	0.7
81.03415	0.7
81.07037	0.7
84.38473	0.5
85.02921	0.9
89.03923	55.0
89.06026	0.9
90.04250	0.6
91.05495	2.1
93.07042	3.1
95.04960	2.7
99.04478	1.1
103.03970	1.1
103.05492	2.8
105.03429	0.8
105.04539	1.5
105.07050	1.7
107.04961	12.0
107.08611	4.7
115.34821	0.5
117.03385	49.5
117.07008	1.2
118.03725	0.7
119.08590	1.5
121.06507	0.8
121.10119	2.9
130.06537	1.0
131.04927	3.2
132.08078	1.4
133.02855	2.0
135.04420	86.1
135.11705	1.6
136.04793	0.8
145.02861	40.1
145.03915	2.1
145.06493	1.1
145.10130	2.3
146.03232	0.9
158.06099	0.5
163.03912	100.0
163.07472	2.9
163.11182	10.0
163.12367	0.7
163.14885	1.0
164.04234	1.8
170.22462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.30169	0.6
53.03955	1.6
60.51917	0.6
61.60914	0.6
63.02386	1.1
71.04959	0.6
71.37187	0.9
73.88109	0.6
79.05505	8.5
82.81926	0.6
89.03928	57.2
91.05490	0.8
95.04981	1.0
96.36803	0.6
105.04485	0.8
105.92683	0.5
107.04962	12.0
107.05634	1.0
117.03395	53.9
118.03756	0.8
135.04431	86.7
136.04810	1.0
145.02863	47.9
145.03873	1.7
155.70399	0.6
163.03922	100.0
164.04256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03951	2.1
63.02377	1.4
67.15581	0.6
70.82906	0.8
70.83251	1.2
71.49306	0.6
77.03921	0.6
79.05493	9.1
84.89366	0.5
89.03918	57.6
91.05495	0.9
92.02662	0.7
93.07059	0.6
95.04957	1.7
99.04475	0.8
103.03981	0.6
103.05495	0.5
105.04530	0.8
107.04954	11.8
117.03383	53.6
118.03695	0.9
133.02847	1.8
135.04413	88.0
136.04738	1.0
145.02850	41.2
145.03882	2.1
163.03900	100.0
163.11118	1.3
164.04233	1.3
174.75600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
53.03930	1.5
60.88512	0.7
61.59947	0.8
65.03934	1.0
70.06089	0.9
70.26032	1.9
70.26427	1.6
79.05502	6.6
83.14541	0.7
89.03921	52.5
95.04965	1.5
107.04964	12.1
117.03384	51.8
135.04422	88.7
145.02855	46.3
145.03893	2.1
153.97560	0.8
163.03911	100.0
164.04216	1.6
165.90724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03948	1.4
57.05379	1.1
63.02390	1.6
64.67539	0.5
70.94090	0.6
70.94440	1.0
74.06107	0.7
75.48783	0.6
77.03941	1.1
79.05499	9.3
84.04507	4.6
85.02935	0.9
85.04338	1.0
85.04843	6.6
89.03922	64.6
91.05495	0.7
95.04990	2.4
96.24816	0.5
102.05545	1.0
105.04515	0.8
107.04961	12.5
107.05646	1.1
117.03386	60.7
117.07464	4.4
131.05374	1.4
135.04422	93.3
136.04703	1.4
145.02853	46.7
149.41798	0.6
163.03909	100.0
163.08661	2.5
164.04272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0762
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
51.39219	0.3
53.28913	0.3
55.44439	0.3
56.05039	16.1
57.03424	0.4
70.42950	1.2
70.43308	0.4
74.06083	1.9
79.05492	0.4
84.04508	100.0
85.02905	2.1
85.04830	0.7
89.03930	3.6
95.01335	0.6
96.76392	0.4
99.04482	1.3
102.05560	3.3
103.03970	1.2
107.04971	0.8
116.07099	43.3
117.03410	2.8
120.06577	1.7
130.05009	18.8
135.04417	3.9
144.06563	1.1
145.02895	2.0
145.03897	0.6
145.04971	6.8
157.56805	0.3
162.07642	5.0
162.11296	1.0
163.03925	4.1
184.81979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0762
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
51.63021	0.8
55.17675	0.8
56.05038	19.1
57.03444	1.0
60.04527	1.2
70.42908	1.9
70.43275	1.7
74.06087	19.8
84.04510	100.0
85.02892	4.1
85.06513	1.2
89.03919	2.0
98.06078	1.5
99.04464	1.2
102.05556	8.3
103.03941	2.7
116.07100	44.2
117.03378	1.1
120.06598	17.1
130.05017	18.5
144.06593	1.4
145.04974	5.1
162.07664	5.5
162.11263	1.3
163.03931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.89161	0.7
53.03945	1.4
58.17410	0.7
63.02373	1.3
71.40362	1.5
79.05504	9.2
89.03926	61.6
91.05467	1.1
95.04977	2.0
107.04966	13.4
117.03390	53.9
118.03699	0.9
129.60402	0.6
135.04433	86.0
136.04745	1.0
137.83516	0.7
145.02870	49.5
145.03941	2.6
163.03922	100.0
164.04279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01876	1.3
55.05515	10.9
65.03957	0.8
67.05514	4.8
69.03410	1.0
69.07073	10.7
69.21954	3.0
69.22374	4.5
70.79845	0.8
78.93131	1.5
79.05495	9.2
81.07055	15.0
91.05484	27.2
93.07040	14.5
95.04972	1.3
95.08595	2.3
103.05459	2.4
105.07035	86.6
106.07309	1.0
107.08585	7.5
113.02399	0.9
115.05441	1.7
117.07019	5.5
118.06516	1.0
118.07780	0.9
119.08586	100.0
119.95635	1.2
120.08887	1.1
121.10133	2.2
128.06229	4.5
131.08574	7.4
132.09381	1.6
133.06551	1.2
133.10136	51.9
143.08585	8.2
145.10130	1.0
146.07285	1.3
146.10907	2.5
159.11684	4.4
161.05853	1.9
161.09607	13.0
161.13260	78.2
162.13571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0763
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
52.27827	0.3
56.05042	15.0
64.87370	0.3
69.16132	3.0
71.04997	0.4
74.06096	0.7
79.05515	0.8
84.04513	100.0
85.02916	1.9
85.04825	0.5
89.03925	4.7
89.70554	0.3
95.01340	0.6
98.06096	0.7
98.20685	0.7
99.04453	1.2
102.05544	2.5
103.03925	1.1
107.04955	0.7
108.79333	0.4
113.02364	0.5
116.07104	42.5
117.03403	3.9
117.07374	0.3
120.06586	1.2
130.05016	19.3
135.04430	5.8
144.06573	1.6
145.02893	2.9
145.04964	6.3
162.07649	5.1
162.11282	0.9
163.03914	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01865	0.8
55.05502	1.1
57.03439	0.3
60.08168	0.5
63.61789	0.3
65.03927	0.4
67.05518	1.8
69.03092	0.5
69.03435	6.7
69.07066	0.7
71.52901	0.3
74.06062	0.5
78.93111	1.1
79.05499	3.8
81.07056	1.8
85.02917	0.7
87.34030	0.3
88.02239	0.4
91.05492	9.2
93.07046	2.9
95.04961	1.2
95.08601	1.0
97.02916	0.3
103.03955	0.7
103.05456	0.7
105.03408	0.4
105.07040	19.8
107.04952	0.5
107.08539	0.4
113.02394	0.8
115.05455	1.7
117.07037	3.0
118.07845	0.4
119.04965	0.7
119.08589	9.8
119.95712	1.4
121.06535	2.4
128.06227	6.3
131.04950	0.7
131.08580	1.2
132.05714	0.7
133.06497	3.8
133.10143	11.0
137.96764	0.7
143.07507	0.6
143.08565	8.4
145.06458	2.9
146.07278	6.7
159.08058	3.3
159.11650	0.5
161.06071	2.0
161.09630	100.0
161.13260	12.7
162.09943	1.8
162.11287	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03947	0.5
55.05515	6.2
69.07071	1.8
70.56355	0.6
70.56696	0.2
72.35918	0.2
78.93176	0.3
79.05489	1.1
80.63280	0.2
81.07057	0.5
84.04524	0.3
91.05490	6.0
93.07047	1.2
103.05470	0.8
104.06244	0.5
105.07041	11.6
105.80343	0.2
107.08593	1.1
115.05479	0.5
117.07021	2.2
119.08589	100.0
120.08890	1.3
121.10171	1.9
131.08560	1.5
133.06505	0.4
133.10133	12.8
134.10410	0.2
146.10901	0.4
159.11694	0.4
161.05862	0.3
161.09665	1.3
161.13268	16.8
162.13547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.01865	0.5
60.08157	0.7
65.93190	0.3
67.03080	0.3
67.05498	0.3
69.03416	0.7
69.07059	0.4
69.81333	1.8
79.05483	0.9
88.02214	0.3
91.05477	3.1
93.07044	2.5
103.03947	0.5
103.05488	0.5
105.07035	27.6
107.04942	1.6
117.07036	1.2
118.72292	0.4
119.08575	1.8
121.06507	12.4
128.06264	2.4
131.04939	1.7
131.08534	1.0
132.05719	1.1
133.06505	1.7
133.10139	18.5
134.10432	0.4
143.08545	2.7
145.06505	1.7
146.07274	22.5
147.87677	0.4
159.08052	0.9
161.09621	100.0
161.13202	1.9
162.09917	1.3
162.11270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99236	0.6
54.40008	0.6
55.01873	2.9
55.05515	4.1
55.93974	0.6
60.08158	1.0
67.05518	1.4
69.03443	5.3
69.07095	1.4
71.52724	0.8
78.93136	2.6
79.05497	4.4
84.04529	0.9
85.02921	1.5
91.05484	25.3
93.07056	5.5
97.02911	0.8
101.06020	1.3
101.95105	1.0
103.03944	1.5
103.05477	2.3
105.03426	2.1
105.07037	83.2
106.07370	1.5
107.04980	2.2
107.08630	1.8
113.02393	1.7
115.03908	1.0
115.05458	4.0
117.06984	3.8
118.04156	1.2
118.06594	1.1
118.07823	4.2
119.04961	1.5
119.08596	14.1
119.95776	3.0
121.06497	2.8
128.06224	6.0
129.07027	1.0
131.04955	1.1
131.08569	10.3
132.05708	0.8
133.06523	5.0
133.10139	100.0
134.10474	1.5
143.08566	9.6
146.07286	8.1
148.44502	0.7
151.70860	0.9
161.06010	6.2
161.09628	59.1
161.13246	6.6
162.11200	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01865	0.7
55.05491	0.4
60.08152	0.5
67.05504	0.6
69.03433	3.0
69.07061	0.5
71.53244	0.6
78.93125	0.5
79.05486	0.6
81.07043	0.7
91.05486	3.6
93.07030	1.9
98.35886	0.4
103.05444	1.0
105.03419	0.5
105.07037	26.1
106.07355	0.4
107.04957	1.4
113.02373	0.3
115.05457	0.9
117.07030	1.0
119.04965	0.4
119.07803	0.5
119.08585	4.5
119.95750	0.7
121.06508	10.7
123.88461	0.3
128.06236	3.2
129.07005	0.4
131.04958	2.2
131.08553	1.2
132.05724	0.9
133.06511	2.5
133.10138	19.0
143.08571	4.4
145.06488	2.2
146.07274	19.4
159.08018	0.7
161.09624	100.0
161.13225	4.4
162.09976	1.3
162.11256	0.8
174.76598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30811	0.1
53.03941	0.2
55.01865	0.5
55.05513	0.3
69.03431	6.5
69.07032	0.2
72.68475	0.2
75.71252	0.2
78.93128	1.2
79.05481	0.7
81.07047	0.4
85.22150	0.2
88.02219	0.2
91.05483	2.8
93.07044	1.0
95.04958	0.2
96.94178	0.4
103.03903	0.2
103.05476	0.4
105.03360	0.2
105.07034	11.2
106.07336	0.2
107.04967	0.2
109.06412	0.2
115.05450	0.8
117.07007	0.8
118.07810	0.4
119.04918	0.4
119.08587	2.6
119.95760	1.1
121.06489	0.7
123.60857	0.2
128.06221	4.3
131.04955	0.8
131.08542	1.2
132.05756	0.9
133.06499	1.8
133.10133	5.7
137.96707	0.5
141.07031	0.2
143.08566	7.2
144.08977	0.2
145.06482	3.0
146.07272	3.4
149.63480	0.2
159.08057	3.9
161.09618	100.0
162.09947	1.5
162.11267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01866	0.7
55.05499	0.4
56.96535	0.2
57.03438	0.3
60.08164	0.3
61.58773	0.2
67.05498	0.6
69.03093	0.4
69.03432	5.0
69.07016	0.3
71.52628	0.4
78.93124	2.2
79.05499	1.2
81.07071	0.3
84.40686	0.2
85.02901	0.4
87.88222	0.3
88.02229	0.3
91.05480	4.8
93.07034	1.8
95.04940	0.4
96.94159	0.7
97.02890	0.4
103.03930	0.7
103.05470	0.6
105.03382	0.6
105.07037	14.2
106.07349	0.4
113.02348	0.4
115.05438	1.3
117.07002	1.2
118.07832	0.3
119.04976	0.4
119.08593	4.9
119.95743	2.9
120.06530	0.3
121.06507	0.9
128.05298	0.3
128.06227	4.4
130.56187	0.2
131.04901	0.9
131.08557	1.1
132.05705	0.8
133.06541	1.6
133.10138	8.0
133.32272	0.2
137.96753	1.1
143.08563	7.1
145.06479	2.8
146.07262	4.3
155.06044	0.5
159.08072	3.7
161.09621	100.0
161.13214	4.2
162.09953	1.6
162.11284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00643	0.2
60.95126	0.2
70.96587	0.2
70.96915	0.3
82.99837	4.5
85.01399	0.3
93.38223	0.2
98.04712	0.3
98.54874	0.2
101.00882	41.8
101.95010	0.3
101.97758	0.3
102.00942	1.8
103.00646	0.3
103.02447	0.5
105.07134	0.2
107.05267	1.6
111.00408	0.4
111.04443	0.8
113.02380	0.2
115.32928	0.1
116.05788	1.6
116.55829	0.2
119.01921	100.0
119.95767	0.1
119.98788	0.6
120.02001	3.7
121.01602	0.3
121.02386	0.4
121.03547	0.2
124.02468	0.4
125.02563	0.6
127.56584	0.4
129.04720	0.5
133.10112	0.2
137.02957	19.7
137.99831	0.4
138.03047	0.6
142.03477	1.8
143.01874	0.5
143.03639	3.6
144.03249	0.5
161.02959	7.6
161.04582	0.8
161.09650	0.3
162.03064	0.2
162.04320	0.2
179.04002	6.9
179.05583	0.4
180.04335	0.2
184.04510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10954	0.9
61.78802	0.8
62.98257	2.0
70.06580	1.9
71.50188	1.4
72.08158	5.9
74.09721	4.7
82.05301	1.5
83.06108	8.3
85.07691	6.2
93.04527	6.0
95.06091	6.8
96.96947	2.4
98.09042	2.3
98.09695	83.7
110.07168	100.0
112.05268	2.7
130.06268	4.4
131.71751	1.0
156.04222	33.4
156.07687	10.9
156.13843	18.2
156.15009	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	156.077
Annotation	L-Histidine
Peak:m/z	Relative Intensity
53.48226	0.1
56.05035	0.6
62.98259	10.9
68.05032	0.5
70.06591	0.5
70.24002	0.2
70.24373	0.5
81.04543	0.8
82.05320	2.1
83.06107	8.5
85.07648	0.2
92.40162	0.2
93.04533	6.4
95.06096	6.9
95.06715	0.4
98.09694	21.1
98.20790	0.2
110.07169	100.0
111.05559	0.5
111.07547	0.8
129.99477	0.4
133.03537	0.3
138.49905	0.2
138.99898	0.4
141.00134	0.2
141.50229	0.4
150.50743	0.2
151.00572	0.2
156.07695	12.6
156.13844	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	160.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.4
70.68385	0.2
70.68712	0.3
90.03442	0.4
92.05010	2.0
101.99346	0.2
104.23343	0.1
105.04522	1.6
114.09161	0.3
114.12796	0.2
118.06600	0.3
118.96754	0.4
132.05580	10.8
133.03987	0.2
135.05565	1.7
160.05070	100.0
160.15962	0.2
161.05452	1.0
165.80414	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	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00643	0.2
60.95126	0.2
70.96587	0.2
70.96915	0.3
82.99837	4.5
85.01399	0.3
93.38223	0.2
98.04712	0.3
98.54874	0.2
101.00882	41.8
101.95010	0.3
101.97758	0.3
102.00942	1.8
103.00646	0.3
103.02447	0.5
105.07134	0.2
107.05267	1.6
111.00408	0.4
111.04443	0.8
113.02380	0.2
115.32928	0.1
116.05788	1.6
116.55829	0.2
119.01921	100.0
119.95767	0.1
119.98788	0.6
120.02001	3.7
121.01602	0.3
121.02386	0.4
121.03547	0.2
124.02468	0.4
125.02563	0.6
127.56584	0.4
129.04720	0.5
133.10112	0.2
137.02957	19.7
137.99831	0.4
138.03047	0.6
142.03477	1.8
143.01874	0.5
143.03639	3.6
144.03249	0.5
161.02959	7.6
161.04582	0.8
161.09650	0.3
162.03064	0.2
162.04320	0.2
179.04002	6.9
179.05583	0.4
180.04335	0.2
184.04510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	p-cis-Menth-2-en-1-ol
Peak:m/z	Relative Intensity
53.03945	0.6
55.05518	5.9
57.03444	1.7
57.07078	100.0
58.91768	0.5
59.05001	2.0
63.86800	0.5
67.05508	7.6
69.07082	3.0
70.06622	0.6
70.57578	0.5
71.02888	1.0
71.05003	2.1
71.08633	2.1
72.93791	6.1
73.06564	1.0
79.05470	1.2
81.07059	20.1
82.49732	0.6
83.05016	0.6
83.08630	1.9
85.06548	42.3
86.02461	0.5
90.94854	0.9
93.07050	0.5
95.04978	0.9
95.08612	12.8
95.09174	0.9
97.10205	2.2
98.09700	25.6
99.04469	0.6
99.08106	5.2
108.18818	0.5
109.10184	1.3
111.04461	0.9
113.96417	5.0
119.03885	0.5
131.96207	0.5
131.97449	1.0
132.95845	1.0
137.06065	0.4
137.09660	0.5
137.13246	4.3
150.48839	0.4
150.96968	0.8
155.05945	0.5
155.07074	2.4
155.08998	2.9
155.14308	11.5
156.13847	5.4
170.56720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00293	1.4
53.03947	6.2
55.01880	2.9
55.05511	21.4
56.96565	3.2
57.03436	3.9
57.04052	1.6
59.05006	9.5
65.03943	16.6
67.05508	11.3
68.99796	6.0
69.03439	8.8
69.07066	18.0
69.41260	11.0
70.06606	2.2
70.94250	12.9
70.95869	7.1
71.04997	35.2
71.94106	6.0
73.06564	21.3
79.05498	38.8
80.05847	1.3
81.03423	2.6
81.07061	100.0
83.04995	13.1
83.08639	3.5
84.65735	1.3
85.02905	3.2
85.06506	1.9
86.16282	1.6
88.95286	5.3
88.96921	2.0
91.05486	14.2
93.03395	9.4
93.07050	67.1
95.04984	13.9
95.08606	20.1
97.02911	2.7
97.06529	19.9
105.04550	1.5
105.07026	4.4
106.74236	1.4
107.01581	1.4
107.04972	8.0
107.08600	61.9
108.04472	1.6
109.06528	9.9
109.10147	18.1
110.03661	2.5
110.09660	1.7
111.04452	24.6
111.08087	18.0
111.28580	1.3
111.96894	12.4
111.98486	2.5
112.11291	1.6
112.96717	3.4
117.06995	2.7
119.06011	1.8
119.08624	1.8
121.02865	1.4
121.06544	1.8
125.05985	16.0
125.09629	7.7
129.97926	6.3
135.04427	6.2
135.08070	9.9
135.11696	44.1
136.03946	2.8
136.07582	3.3
153.01834	6.8
153.05565	16.3
153.06650	4.8
153.09140	20.3
153.10246	3.7
153.12769	26.3
154.04990	3.3
154.08617	2.2
154.12256	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00294	1.7
53.03937	3.0
55.01865	3.9
55.05509	16.0
56.96571	3.5
57.03428	5.0
57.07064	3.3
59.05000	9.1
65.03675	1.3
65.03948	18.3
67.01855	6.7
67.05510	17.2
68.99776	4.9
69.03436	8.6
69.07071	22.8
70.63732	4.6
70.94271	10.1
70.95851	4.4
71.01353	1.8
71.04609	1.8
71.04995	35.8
71.94086	4.7
73.06561	18.8
73.52891	1.5
79.05495	37.3
80.04977	1.4
81.03420	9.5
81.07059	100.0
82.17618	1.5
83.04986	15.3
83.08612	6.5
85.02917	1.7
85.06540	1.9
88.95312	2.9
91.05479	14.0
93.03415	18.1
93.07047	67.8
93.07645	3.4
95.04980	12.4
95.08621	20.0
97.02888	2.3
97.06532	23.9
105.04520	1.8
105.07023	4.2
107.01759	1.8
107.04979	8.2
107.08601	60.2
109.02291	1.9
109.06548	9.4
109.10157	27.3
110.03616	4.1
111.04448	28.9
111.08101	21.3
111.96867	7.1
112.96700	2.9
117.06969	2.0
119.08540	2.0
125.02423	2.5
125.05994	21.6
125.09634	5.0
129.97903	3.7
135.04410	4.1
135.08066	8.7
135.11700	46.0
136.07574	4.0
153.01843	15.5
153.05473	14.4
153.06508	1.8
153.07489	1.9
153.09096	13.4
153.10188	3.0
153.12743	32.3
154.04959	2.9
154.08572	1.8
154.12265	1.8
171.02916	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	Dehydro-1,8-cineole
Peak:m/z	Relative Intensity
53.03941	1.0
55.05506	1.8
56.96572	0.4
57.03440	0.6
57.07082	2.2
57.80046	0.4
59.05005	9.0
63.82575	0.3
65.00627	0.5
65.03944	1.8
67.05503	1.9
68.99802	0.5
69.03419	0.5
69.07072	1.7
70.94264	0.9
70.95856	0.5
71.05003	0.5
73.06557	8.2
79.05497	8.7
81.07053	5.4
83.04996	1.7
83.08623	0.8
84.08172	0.4
88.95319	0.5
89.00265	0.7
91.05479	4.9
93.03419	1.0
93.07047	21.8
95.04985	2.3
95.08622	1.5
96.05769	1.0
97.02873	0.5
97.06536	4.7
103.05466	1.3
105.07037	14.5
106.07843	0.7
106.78786	0.4
107.04949	1.0
107.08593	2.2
109.06532	1.7
109.10139	1.9
110.03605	0.6
110.07291	1.4
111.04436	2.5
111.08087	7.7
111.96882	1.3
112.01727	0.5
119.08604	2.7
121.10149	57.9
122.10467	0.5
123.08084	2.8
123.11707	6.2
124.08842	1.2
125.06002	1.8
125.09634	1.5
126.05529	0.6
129.97853	0.4
133.07625	2.1
135.04353	0.8
135.08069	0.8
135.11674	0.7
136.03922	0.4
136.07593	0.7
144.62428	0.4
153.02014	0.4
153.05453	1.5
153.09285	2.3
153.12752	100.0
154.04968	0.5
154.08502	0.5
154.13135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	1,4-p-Menthadien-7-ol
Peak:m/z	Relative Intensity
53.03947	1.8
55.01869	1.3
55.05514	9.7
56.96568	0.7
57.03428	3.7
57.07073	2.6
59.05005	2.3
65.03960	3.6
67.05510	23.1
68.99808	0.8
69.03425	3.6
69.07072	43.5
70.94261	1.4
71.01353	1.2
71.04997	3.5
71.94109	1.1
79.05497	24.6
81.07062	30.4
83.04991	7.1
83.08615	5.6
84.98856	0.7
85.02952	0.9
85.06556	2.1
89.00272	1.7
89.02407	0.9
91.05490	5.7
93.03421	2.7
93.07050	39.5
95.04960	3.8
95.08617	17.7
97.06538	20.5
98.00800	0.9
100.51061	1.5
105.04562	1.2
105.07040	1.8
107.01653	0.8
107.04961	2.1
107.08600	41.5
109.06530	2.7
109.10165	30.7
111.04473	7.0
111.08089	8.8
111.11720	1.4
111.96872	1.9
112.01765	0.7
121.10107	1.1
124.29670	0.7
125.06008	3.9
125.09626	1.9
133.10252	0.9
135.04485	1.6
135.08064	3.0
135.11697	100.0
136.07576	1.4
136.12019	1.0
153.05563	4.6
153.07419	2.6
153.09238	4.9
153.12750	95.9
154.04958	1.8
154.08632	1.1
154.13179	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03949	0.6
55.01872	1.2
55.05515	3.6
57.03435	1.0
57.07084	2.0
59.04993	0.5
65.03936	2.5
67.05510	2.4
68.99794	100.0
69.03430	7.2
69.07076	2.3
70.00157	0.6
70.10152	1.7
70.66926	0.3
70.94256	2.8
70.95870	0.7
71.05008	0.6
71.94106	1.0
73.06546	0.6
75.03650	0.4
79.05495	4.8
81.07063	4.3
83.04990	8.1
83.08620	2.8
85.10187	17.6
88.95309	1.1
89.00241	0.6
91.05484	4.1
93.03411	1.4
93.07051	5.4
95.04965	2.6
95.08609	1.5
97.02903	0.7
97.06548	4.8
97.10216	0.8
98.20857	0.5
102.75266	0.4
105.07037	1.7
107.04972	1.6
107.08602	13.2
109.06517	7.0
109.10188	1.8
110.03657	0.5
111.04457	4.2
111.08096	5.5
111.96869	2.7
111.98512	0.4
112.96742	0.5
117.07046	0.4
119.01699	0.5
125.06049	2.3
125.09637	23.9
129.97887	1.3
135.04398	1.0
135.08046	3.9
135.11699	1.1
136.03954	0.6
153.01831	0.7
153.05469	1.9
153.06506	0.8
153.09116	43.1
153.12689	3.1
154.04996	0.7
154.09563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.00262	0.9
53.03948	4.4
55.01874	27.3
55.05513	12.4
56.96564	1.1
57.03434	6.2
57.53463	0.9
59.04713	1.8
59.05000	26.4
59.44096	0.9
60.83518	0.9
64.63927	1.0
65.03942	14.8
67.05504	21.6
68.99776	1.8
69.03428	17.5
69.07069	12.8
70.94263	5.4
70.95863	2.2
71.04989	7.3
71.94112	1.0
71.95232	1.2
72.86776	0.8
73.06539	3.8
79.05493	54.0
81.03408	4.0
81.07053	24.3
83.04979	24.3
83.08621	2.1
85.02895	1.9
85.06524	3.0
88.95279	1.4
91.05482	35.9
93.03404	8.6
93.07043	33.3
95.04967	16.8
95.08607	12.1
97.02866	2.3
97.06539	14.6
97.10163	1.6
99.04438	1.5
103.05500	1.2
105.04499	1.5
105.07027	23.3
107.04961	16.1
107.08595	100.0
108.05730	4.3
108.08929	1.9
109.06519	18.0
109.10155	7.8
110.03635	2.2
110.06139	0.9
111.04443	36.6
111.08083	24.9
111.96845	4.4
112.96694	1.1
115.05486	4.6
117.07032	7.9
119.06054	4.4
121.02940	1.5
121.03999	1.3
121.06478	1.9
123.08064	48.8
124.08916	1.4
125.06003	18.4
125.09627	41.4
126.09097	1.2
129.97931	2.5
133.07622	5.2
135.04451	4.7
135.08054	83.3
135.11667	8.5
135.75691	0.9
136.03946	1.1
136.07558	2.6
153.01874	2.1
153.05489	13.2
153.06522	1.2
153.09108	46.5
153.10158	2.3
153.12726	11.0
153.13853	1.3
154.04999	1.9
154.08598	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	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
63.84084	0.3
65.03934	0.3
67.97072	0.3
71.01289	0.3
79.05507	2.0
81.03419	0.4
82.04082	0.6
83.55741	0.3
95.04982	0.4
102.84592	0.2
106.06548	2.6
107.04960	9.9
109.02883	0.8
109.05139	1.7
110.03536	12.6
123.04437	0.7
124.07620	0.5
128.04581	2.7
134.04681	0.8
134.06033	4.8
135.03041	17.4
135.04422	6.5
136.01439	0.9
152.05696	100.0
152.07039	9.3
152.10684	1.0
153.04086	20.5
154.02501	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03932	5.3
55.01867	8.1
55.05505	12.6
55.76199	1.1
56.96560	5.9
57.03432	7.7
57.07064	5.1
59.04994	6.2
65.03938	7.9
67.05502	38.0
67.06049	1.5
68.95283	1.7
69.03427	10.4
69.07068	12.3
71.04973	3.2
71.05635	2.2
73.02910	1.2
79.05490	21.6
81.03412	4.3
81.07055	88.8
83.04974	4.9
83.08619	11.3
85.02923	1.6
89.06026	3.8
91.05480	45.7
93.07041	70.1
94.06594	1.4
95.04971	34.1
95.08609	34.5
96.08116	1.3
97.95371	1.1
98.01307	1.4
98.94101	1.2
98.97591	5.1
101.00720	1.5
103.05451	3.1
105.03402	2.6
105.04482	2.1
105.06311	2.7
105.07028	56.7
107.04949	2.7
107.08590	34.4
108.01488	2.8
108.02120	3.2
108.05690	1.3
109.02879	1.1
109.06519	33.0
109.10154	41.9
110.01252	4.2
110.51862	1.5
110.97618	1.3
111.08079	43.2
115.05453	1.4
117.02077	4.6
119.01797	5.3
119.04963	1.5
119.06092	1.6
121.06515	2.1
121.10146	16.7
122.07291	1.5
123.04445	8.2
123.05353	1.2
123.08074	37.0
123.11706	40.4
126.31817	1.1
127.07517	1.5
128.02327	4.6
128.52855	1.8
131.08583	3.1
132.69789	1.3
133.02849	1.9
133.06477	5.4
133.10124	32.7
136.08823	1.4
141.05493	2.1
151.02869	7.6
151.03909	30.7
151.05054	7.3
151.06233	2.2
151.07553	25.5
151.08638	3.3
151.11182	100.0
152.01634	1.8
152.07080	2.4
152.11522	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.112
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
52.73721	0.7
53.03950	1.5
55.01880	1.7
55.05515	5.6
56.96574	2.1
57.03442	1.2
57.07074	5.3
57.29382	0.7
59.04998	2.4
65.03935	1.2
67.05506	24.2
68.95284	0.8
69.03418	1.9
69.07077	5.1
70.84711	1.6
71.04996	1.3
77.03957	0.7
79.05493	15.9
81.03434	1.2
81.07056	100.0
82.07377	0.9
91.05482	17.0
93.07045	16.2
95.04965	10.3
95.08611	23.7
98.97557	1.4
102.50819	0.7
103.05474	1.5
103.34409	0.7
105.06315	1.6
105.07033	32.4
106.06542	0.8
107.04953	1.3
107.08597	20.7
107.09314	1.3
108.05723	0.7
109.06517	21.7
109.10157	30.4
110.01289	1.2
119.01817	1.8
119.06078	0.7
121.06529	0.7
121.10150	7.8
123.04434	1.1
123.08066	9.2
123.11707	59.0
128.02315	2.3
131.08578	2.4
133.06522	2.0
133.10136	39.3
136.08797	1.4
151.02858	1.2
151.03909	6.2
151.05069	1.7
151.07542	7.3
151.08640	1.6
151.11183	65.8
152.11581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03942	6.0
55.01859	4.4
55.05515	37.5
56.96570	5.7
57.03434	2.6
57.07084	5.6
59.04991	1.4
61.02925	1.1
61.87326	1.0
64.51153	1.0
65.03930	4.6
67.05508	44.2
68.95279	1.3
69.03431	13.3
69.07063	6.1
69.37279	6.9
69.37682	2.0
71.04980	3.1
73.02901	1.1
77.03896	1.1
79.05493	23.0
80.68927	0.9
81.03411	3.0
81.07059	100.0
82.06583	1.1
83.01328	1.3
83.04974	3.4
83.08596	1.1
84.50341	1.0
85.02895	1.8
89.06013	3.1
91.05482	21.5
93.07047	34.4
95.01295	1.0
95.04973	18.8
95.08611	35.2
96.08121	1.1
97.06539	7.3
98.97577	4.4
101.00790	1.3
103.05467	2.6
105.03402	2.1
105.04490	1.3
105.07040	36.9
106.06567	1.0
107.04961	3.5
107.08595	32.2
107.47643	1.5
108.02111	3.1
108.05750	1.9
109.02890	1.2
109.05820	2.3
109.06528	37.8
109.07269	2.3
109.10162	63.0
110.01262	3.1
113.01727	1.0
116.48158	1.0
119.01816	4.7
119.04938	2.8
119.06124	1.0
121.10172	5.3
122.07265	1.2
123.04416	3.8
123.08072	35.5
123.11707	43.2
124.07591	1.6
127.07519	2.3
128.02350	5.3
133.02849	1.2
133.06520	9.0
133.07408	1.6
133.10139	21.5
134.06042	1.8
136.08847	1.5
141.05486	1.3
151.02849	2.9
151.03911	25.0
151.05057	7.5
151.07570	24.1
151.08600	2.3
151.11186	96.6
152.05779	2.0
152.07062	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	150.0551
Annotation	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
53.03944	3.6
53.86890	0.5
62.29220	0.4
65.03947	3.2
66.04271	0.7
67.05508	19.0
68.57985	0.5
72.93787	1.4
74.83606	0.5
75.98284	0.4
79.05499	3.0
81.03410	0.8
84.04499	0.5
90.94839	1.2
91.05502	0.6
93.05775	1.1
94.06573	50.0
95.04945	1.6
96.04488	0.6
104.05837	0.6
105.07039	0.9
106.06564	14.0
122.03235	1.2
122.06033	29.8
123.07990	1.1
133.05113	1.6
148.03967	1.3
149.96176	0.6
150.02943	3.6
150.05510	100.0
150.07738	7.7
150.09105	1.3
150.12891	0.5
151.03929	0.5
151.05815	0.9
164.46814	0.5
168.06564	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03942	1.7
55.01881	1.3
55.05508	2.4
57.07072	3.6
61.26164	1.0
65.03947	11.8
67.05509	1.1
69.07056	3.8
69.53719	3.5
69.54140	2.7
75.14385	0.9
76.63172	0.9
76.79790	1.3
77.03944	1.2
79.05503	8.5
79.11377	0.9
81.07044	1.4
85.10099	0.9
91.05478	11.0
93.03407	2.1
93.07052	15.5
95.04985	2.0
95.08574	1.1
98.03657	1.0
103.05491	2.8
105.07039	28.4
106.07867	1.2
107.08604	35.6
109.06554	1.6
111.04451	1.7
119.06039	1.2
119.08603	9.2
119.47672	0.9
121.02874	14.5
121.03981	3.8
121.06512	1.5
121.10152	100.0
122.10488	1.5
123.08080	4.5
133.07637	3.1
133.10146	2.2
149.02356	41.5
149.03372	1.5
149.05954	1.3
149.09641	9.4
149.13277	20.6
151.02432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.97532	0.7
53.03943	1.6
54.16770	0.8
55.01855	2.5
55.05509	1.7
56.76970	0.7
65.03943	30.8
67.05504	9.2
69.03455	0.7
69.07071	4.1
71.52158	0.8
79.05069	1.2
79.05489	14.1
81.07056	21.4
83.08620	1.1
91.05488	9.0
93.03398	7.5
93.07047	24.8
94.85134	0.8
95.04992	2.0
95.08590	4.2
98.03667	1.0
103.05447	1.8
105.07030	3.0
107.04951	8.6
107.08601	19.6
108.04482	1.2
111.04454	4.1
119.08587	1.0
121.02868	37.1
121.03979	12.9
121.06488	3.4
121.10140	7.7
122.03221	0.9
131.04919	1.7
131.08600	2.0
149.02348	100.0
149.05994	3.0
149.07040	1.3
149.09628	9.4
149.13255	18.8
150.02695	1.7
167.03447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	4.9
65.03933	1.0
70.55481	0.8
70.55853	1.0
84.04510	100.0
84.08159	0.9
85.02914	2.4
85.04845	2.7
91.05498	0.8
92.05817	2.6
94.62495	0.5
102.05549	21.6
119.04958	0.7
120.04560	0.6
120.05303	3.9
120.08073	0.4
121.02880	1.0
130.05006	12.9
131.05350	1.1
140.45258	0.5
148.03795	0.7
148.04802	2.5
148.06081	3.4
148.07637	0.6
149.02388	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	149.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64928	0.3
53.28767	0.3
54.09431	0.3
55.01864	0.9
65.03942	26.8
70.97463	0.6
71.42912	0.3
80.02614	1.0
91.05475	0.3
91.25780	0.3
93.03407	6.8
98.03672	1.0
105.00753	0.3
111.04433	3.7
121.02865	41.2
121.03969	11.8
126.99580	0.4
134.98891	0.4
143.52049	0.3
149.02344	100.0
150.02718	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.18880	0.6
53.03951	4.6
53.79073	0.6
55.01865	1.1
55.32708	0.7
62.92596	0.8
65.03945	14.6
67.05492	1.3
71.35460	1.2
77.03928	0.9
77.80485	0.8
79.05500	41.6
80.73175	0.7
85.04842	2.4
91.05487	12.2
93.03393	3.6
93.07052	37.2
94.06574	2.1
94.07396	0.7
95.04955	4.8
98.03670	0.7
103.05475	100.0
104.05801	1.7
105.04525	2.0
105.07034	2.5
107.04967	29.9
107.08624	0.8
111.04474	1.9
121.02881	19.0
121.03996	6.4
121.05607	1.0
121.06509	18.3
129.25874	0.8
131.04924	9.4
133.05142	1.1
149.02357	51.8
149.03383	2.5
149.04915	1.5
149.06006	11.3
149.09666	1.2
150.02701	1.3
150.05530	2.4
150.07768	1.8
169.03572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03941	3.4
55.01860	1.2
57.86837	1.2
59.40485	0.9
61.78755	0.8
65.03935	4.9
69.03419	3.9
70.56209	1.9
70.56586	2.4
75.15285	1.2
79.05502	12.9
83.86816	1.0
91.05487	39.7
92.43104	1.1
93.03398	2.0
93.07049	19.5
95.04981	1.0
102.88126	1.0
103.05466	4.7
105.04547	1.7
105.07034	33.0
106.07815	3.1
106.65922	1.0
107.04967	1.7
107.08614	3.2
109.06512	4.0
115.05465	4.8
115.47997	1.0
116.06239	16.5
119.08591	6.3
121.02868	5.9
121.03976	2.3
121.06506	10.9
121.10152	36.1
123.08073	3.2
129.07018	4.5
131.08574	21.7
133.06508	1.5
133.07593	2.5
134.07289	3.3
147.08029	2.8
149.02370	18.1
149.09628	100.0
150.10033	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	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03954	0.5
64.92800	1.0
65.03926	1.1
69.24829	1.1
69.25224	3.9
72.08146	0.7
79.05499	2.2
84.04472	0.8
84.08148	0.7
91.05483	37.3
93.07049	1.7
95.04939	0.6
103.05474	3.7
104.06247	1.6
105.07047	2.8
107.04967	0.9
115.05447	0.9
115.92234	0.5
117.07024	17.2
119.04948	8.2
119.08583	100.0
120.08926	1.7
123.96460	3.1
128.06273	1.2
129.07013	6.3
132.05708	1.5
138.48317	0.5
147.04422	6.8
147.08055	41.8
147.11690	2.1
148.08427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
54.83949	0.3
56.05035	5.4
60.04529	0.6
64.64491	0.3
71.22792	0.3
71.23649	0.6
72.48228	0.3
74.02443	0.9
84.04509	100.0
85.02909	1.7
85.04848	1.5
88.03983	0.6
102.05550	22.5
124.31184	0.4
130.05009	12.0
131.05360	0.7
139.64967	0.4
148.06055	3.3
148.07129	0.5
152.24904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.71252	0.6
65.03938	8.0
70.02531	2.0
70.02888	0.8
84.00172	0.5
84.57991	0.5
91.05483	82.2
92.05820	0.9
98.21472	0.7
119.04946	100.0
119.48833	0.6
120.05244	1.7
138.79494	0.5
147.04414	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.32601	0.4
53.03968	0.5
65.03941	7.2
71.37344	0.8
73.61680	0.4
84.04497	1.2
91.05485	73.3
92.05818	1.1
105.07059	0.9
119.04945	100.0
119.08594	1.1
120.05280	1.7
122.89214	0.4
147.04416	55.1
147.60698	0.5
148.01820	0.5
148.04799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1653
Annotation	Spermidine
Peak:m/z	Relative Intensity
58.06605	6.2
71.23515	1.0
72.08160	100.0
75.09246	3.4
84.08147	8.6
99.15144	0.5
112.11253	23.7
121.27657	0.6
129.13884	5.8
146.16525	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03933	0.7
55.05511	0.6
58.51839	0.5
64.92780	0.6
65.03944	6.6
66.15602	0.6
68.18418	0.6
69.07081	0.9
69.38659	4.2
72.08150	1.2
73.08491	1.4
84.04517	4.4
84.08145	1.3
91.05486	84.5
92.05827	1.4
105.07040	3.2
107.12386	0.6
113.11576	0.7
117.06989	0.9
119.04947	100.0
119.08570	3.8
120.05286	1.2
123.96463	0.9
130.04979	1.1
147.04422	60.5
147.08000	1.1
147.11684	2.4
148.69112	0.5
151.76682	0.6
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
52.03151	0.5
53.03949	3.0
55.01861	2.4
57.03420	1.9
62.92993	9.6
67.05506	1.2
69.03403	0.6
69.81915	3.0
71.04997	12.4
79.05495	0.6
81.03433	3.3
82.06564	0.7
82.53324	0.5
84.08144	1.5
85.02888	2.8
85.08461	2.5
86.00750	0.5
86.06039	1.0
91.05484	9.1
95.23817	0.6
99.04459	35.2
100.07606	2.1
100.11256	0.7
101.02368	1.2
103.05469	2.3
103.95581	0.9
105.07037	44.2
106.07383	0.9
115.05420	3.6
116.06230	1.1
117.07027	17.0
121.96648	21.6
127.03944	7.2
127.13113	2.0
128.06187	2.8
129.07013	4.8
130.07790	30.7
143.08569	6.6
144.98203	3.1
145.04993	3.4
145.10127	100.0
145.14145	3.2
146.08197	1.0
146.10422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
58.06593	1.1
60.63285	0.3
65.03942	0.3
69.89189	1.1
69.89601	0.5
72.08158	15.0
75.09246	0.8
82.06574	0.9
84.04500	0.3
84.08142	1.3
90.66770	0.3
91.05486	17.2
99.04485	0.4
100.04810	1.0
100.07631	2.2
105.07050	0.4
110.08784	0.3
112.11249	3.7
117.05761	3.2
118.06547	100.0
119.04941	1.3
119.06883	1.9
119.08585	0.8
129.13876	1.2
137.64853	0.3
146.06018	19.2
146.08115	1.0
146.16547	0.4
147.04420	0.7
147.11684	0.7
157.51353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0657
Annotation	Methyl pyroglutamate
Peak:m/z	Relative Intensity
56.05040	6.0
60.98732	0.5
67.05501	1.3
70.06586	1.9
71.04993	2.0
71.06219	0.8
72.30074	0.4
81.03413	0.6
84.04508	100.0
84.08149	5.5
85.02908	2.9
85.04856	0.7
89.03920	0.6
97.00839	0.4
98.06066	4.1
98.09676	0.6
99.04463	5.0
105.40237	0.4
111.10229	0.4
112.07594	0.4
116.07101	3.2
121.00768	2.4
126.12777	2.5
127.03925	1.2
139.01814	2.7
144.03723	1.9
144.06567	10.3
144.10240	2.4
144.13855	5.1
145.04938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
69.20861	2.4
70.06596	0.5
71.04978	0.4
84.04501	0.4
84.08144	1.5
85.02903	0.6
91.05476	1.6
98.06059	1.1
98.09696	0.3
99.04449	1.1
103.05462	1.8
115.05463	4.8
116.04997	0.4
117.05811	1.6
117.07021	15.8
118.06548	0.5
121.00766	0.4
126.12792	0.9
127.05451	0.9
128.04979	1.3
128.06256	0.5
139.01854	0.3
142.06454	0.5
143.07307	11.9
144.08086	100.0
144.13786	1.7
145.06488	2.1
145.08405	1.2
146.06049	0.6
155.06044	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	143.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05503	0.5
56.05035	5.1
57.03452	0.5
58.06597	3.3
60.04526	0.5
61.95313	0.4
68.05032	19.4
69.03432	5.2
69.73512	2.5
70.06601	0.9
71.01347	0.8
71.15586	0.5
72.08136	0.5
73.07679	2.2
81.04540	10.3
83.04987	0.8
83.06107	0.8
84.04510	1.6
84.08142	4.4
85.02911	3.1
91.93864	0.4
95.06084	6.2
97.02898	8.2
97.07659	100.0
98.06055	3.0
98.07967	0.7
98.09691	1.5
101.07148	10.0
102.05544	1.2
105.47047	0.5
125.02363	11.0
125.06193	0.9
125.07109	6.3
126.05532	0.9
143.03407	53.7
143.08165	77.9
144.03752	0.6
144.06561	1.9
144.08484	0.9
144.10208	30.0
144.13878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.43104	0.3
56.05040	4.4
57.03455	0.5
59.60161	0.4
60.04510	0.6
60.98729	0.6
62.24823	0.4
65.18091	0.4
70.06593	1.4
71.04989	1.4
71.07716	0.6
78.99812	0.4
84.04511	100.0
84.08140	3.3
85.02921	2.1
85.04834	0.9
89.03923	1.3
98.06065	4.7
98.09709	1.0
99.04456	4.3
102.70455	0.3
102.83572	0.4
112.07622	1.4
116.07095	3.1
116.15676	0.3
121.00781	2.3
126.02716	0.8
126.12794	1.9
127.03930	1.0
127.43784	0.4
131.17198	0.4
139.01819	1.8
144.03789	1.8
144.04810	0.5
144.06566	9.7
144.10197	1.7
144.13841	2.9
145.04997	0.4
152.94234	0.4
154.21866	0.4
154.76811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0548
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
53.03959	6.0
55.01863	2.3
55.05503	3.7
56.96543	1.8
57.03443	1.9
57.07078	1.1
59.93106	1.2
65.03937	4.3
67.01862	1.5
67.05511	32.8
67.93562	3.5
69.03426	10.4
69.07077	2.1
69.94549	2.1
69.94957	2.8
70.06578	1.0
71.01354	9.6
71.04996	10.2
72.10952	1.0
73.02921	11.7
79.05499	3.9
81.03422	17.5
81.07058	18.8
84.08154	8.1
85.02856	1.6
85.06554	5.3
95.01330	2.0
95.04975	100.0
95.08607	10.8
96.05280	1.4
96.08145	1.2
97.02907	11.6
97.06521	4.0
98.21439	1.3
98.97591	1.7
99.04457	2.0
99.08113	6.0
99.97939	1.9
109.02888	4.8
109.06489	1.4
111.00811	1.4
113.02383	13.8
113.06015	26.3
116.98595	1.7
117.97562	1.2
117.98991	1.3
118.96729	1.7
123.04446	3.4
123.05591	2.2
123.08061	2.3
123.11703	1.3
124.03958	1.1
124.07586	1.5
134.99629	1.2
140.95139	2.0
141.01845	19.5
141.02910	1.8
141.05466	17.4
141.06790	5.1
141.09129	2.3
142.05028	1.6
142.08665	2.5
157.83669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.05
Annotation	5-Methylpyridine-2,3,6-triol
Peak:m/z	Relative Intensity
50.48831	1.0
54.03467	1.9
55.05487	1.5
56.05034	4.3
58.06588	1.4
58.28531	1.2
62.00650	1.1
62.31499	1.0
66.03469	10.9
68.05022	3.9
69.03436	2.7
70.06577	2.9
70.68083	1.3
71.51133	1.4
71.51482	1.7
71.63683	1.3
72.08167	1.9
81.04535	3.8
81.07079	1.5
82.06603	3.0
84.08151	100.0
87.00831	3.7
96.04500	5.9
96.08138	2.1
97.02896	5.4
97.07666	2.7
98.06048	1.1
98.09683	4.7
101.00896	2.0
107.08569	1.3
114.05542	57.1
114.09179	2.2
119.01922	3.8
124.03890	1.5
124.08676	3.0
124.11237	5.0
125.02382	9.1
142.03453	2.2
142.05014	33.2
142.08632	7.3
142.09709	2.1
142.12291	13.5
143.03401	28.0
143.08185	2.1
154.39624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0547
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
51.95751	0.6
53.03940	3.3
55.01876	21.3
55.05505	4.0
56.96572	1.6
57.03430	3.1
57.07067	1.9
59.05001	1.1
59.93106	0.8
64.71297	0.7
65.03948	3.4
67.01846	1.8
67.05506	29.2
67.93570	1.8
68.05031	0.8
69.03428	8.8
69.17830	7.0
70.06586	1.0
71.01347	8.1
71.04993	9.8
73.02920	12.5
79.05509	3.7
81.03432	5.8
81.07052	14.5
83.08614	0.9
84.08141	2.6
85.02899	3.3
85.06551	3.8
85.07692	0.8
95.01315	2.2
95.04967	85.0
95.08607	18.8
95.09180	1.3
96.05283	0.9
97.02900	11.6
97.06532	100.0
98.06892	0.8
98.97583	1.7
99.04467	1.7
99.08118	1.2
105.07074	0.7
109.02879	2.7
111.00809	2.0
111.04452	1.0
113.02374	13.0
113.06005	24.1
114.06353	0.9
114.09161	0.8
115.05470	1.2
116.97250	1.2
116.98666	0.9
117.98972	1.5
118.96741	2.5
123.00800	3.9
123.04439	2.0
123.05564	1.0
123.08062	4.8
126.03152	1.3
140.95113	1.4
141.01836	16.6
141.05472	9.8
141.06714	2.3
141.09105	6.0
141.10115	1.0
141.11324	0.8
142.05040	1.5
142.08652	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	140.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03933	2.3
55.01872	1.4
56.96571	8.8
57.93563	4.8
65.03935	1.0
66.04731	0.8
67.05505	6.5
68.38707	0.5
69.03419	1.0
69.07059	1.5
70.06586	1.2
70.32453	1.0
70.32845	1.3
71.04975	1.0
71.95265	3.0
79.01836	1.6
80.05015	0.6
81.07032	0.8
82.04195	1.1
84.08131	2.2
93.05784	1.6
94.04194	0.9
94.06567	9.3
95.04962	4.3
95.08601	0.8
97.02892	35.7
97.06524	0.8
98.06020	0.8
98.09694	1.4
98.97585	39.9
105.04539	1.1
107.01319	4.4
110.03667	7.5
111.00842	2.8
111.04436	1.9
112.03970	2.0
112.04739	1.0
112.07625	3.9
113.02349	1.4
115.39047	0.5
116.97268	12.2
116.98611	29.3
122.02400	0.7
122.06029	14.4
122.06911	0.8
123.04481	1.0
123.05543	0.8
125.02354	100.0
126.03139	1.8
134.08658	0.5
134.99654	15.1
140.00174	0.6
140.03464	4.0
140.04686	48.7
140.07028	13.1
140.10699	2.0
140.14334	3.0
141.01849	2.2
141.05533	3.4
148.96199	1.2
151.05302	0.5
153.00722	1.2
158.01257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03937	1.5
55.01870	5.0
55.05507	2.5
56.96566	4.9
65.03615	0.8
65.03941	11.5
67.01873	2.7
67.05500	6.3
68.99792	6.7
69.03423	3.0
69.13926	3.4
69.14339	1.5
71.01353	1.2
79.05520	1.2
83.04976	6.5
91.05495	0.6
93.03410	9.8
93.07043	1.9
95.04977	4.2
97.02887	3.1
97.06536	1.9
98.97593	3.8
98.98486	2.8
105.04470	0.6
111.04445	23.7
112.03981	0.7
116.97233	1.0
116.98595	2.4
121.02909	2.8
121.03995	1.2
121.06541	0.5
121.10167	0.7
125.02393	1.1
139.03903	100.0
139.07532	1.5
139.11197	1.2
139.12279	0.7
140.04283	1.0
143.12257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67603	0.5
53.03948	1.9
55.01882	8.2
55.05510	3.4
56.96576	1.5
57.03446	0.7
57.93582	0.8
65.03943	9.8
67.01862	1.0
67.05513	2.0
68.99799	100.0
69.03433	2.9
69.07066	1.2
70.06609	0.9
70.65965	1.7
71.01365	0.7
72.34984	0.5
79.05502	1.9
81.04553	3.4
83.01313	0.5
83.04984	7.2
91.05510	1.2
91.50719	0.6
92.05836	0.9
93.03422	7.1
93.04573	1.4
93.05367	0.8
93.07069	3.6
94.06580	1.1
94.07399	1.1
95.04980	14.7
95.05573	0.9
95.06186	0.7
95.06931	1.3
95.08582	0.9
97.02898	1.5
97.06535	2.8
98.21371	0.6
98.97598	3.6
98.98468	4.5
104.05836	1.5
105.04530	1.1
110.03675	0.9
111.00819	31.7
111.04458	20.1
111.05302	0.8
111.05650	1.4
111.06399	1.7
111.08105	1.2
112.03979	1.1
116.97244	1.4
116.98625	2.0
121.02895	8.2
121.04018	4.2
121.06532	1.2
121.10149	1.0
122.06024	0.8
122.06845	11.4
129.01883	1.2
134.99693	0.9
139.00310	1.6
139.04060	9.0
139.05055	1.9
139.05898	17.5
139.07645	3.0
139.08725	1.5
139.09731	1.8
139.11224	2.1
139.12276	1.1
140.03442	3.7
140.04466	0.6
140.07138	1.0
142.00172	0.6
142.96777	0.6
152.16722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.47198	0.6
53.03942	2.2
55.01871	1.5
55.05506	2.2
65.03931	2.0
66.04711	0.9
67.05507	25.4
69.03428	1.6
69.07069	2.7
70.16459	2.3
79.05500	5.5
81.03404	1.6
81.07061	15.4
83.04998	0.7
88.07065	0.6
91.05481	14.3
93.07053	6.8
94.04183	8.6
95.04977	6.3
95.08604	12.9
103.05473	1.1
105.07043	0.9
107.04968	9.9
107.08621	1.1
109.06506	7.4
109.10160	28.5
110.06029	1.0
110.09677	0.9
117.06985	1.0
119.04954	2.5
119.08585	12.9
120.04515	1.3
121.01614	0.7
121.06489	5.7
122.03667	10.0
122.07292	60.8
135.08063	3.4
137.02538	5.3
137.04425	1.1
137.05933	33.2
137.09622	100.0
138.05478	2.8
138.06415	0.9
138.10016	0.9
147.68033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
52.35085	0.2
53.03950	0.4
55.91796	0.2
61.79761	0.2
65.03938	0.5
67.05495	0.7
70.94950	0.4
73.51569	0.2
78.03441	0.4
80.37750	0.2
92.05015	5.9
93.05803	0.4
94.06580	13.5
96.04504	1.2
97.84174	0.2
110.06053	6.5
120.04491	0.2
121.06550	0.4
136.03964	0.3
138.05519	100.0
139.05898	1.3
143.58394	0.2
154.04988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01855	1.6
55.05519	6.6
65.03924	2.7
67.05505	49.6
69.03425	4.0
69.07072	1.7
70.66246	2.6
70.66612	2.5
79.05498	6.1
81.03423	2.5
81.07054	19.1
83.04984	1.9
83.13288	1.4
90.29653	1.1
91.05486	19.0
93.07050	6.4
94.04157	3.4
94.07763	1.7
95.04968	11.8
95.08600	10.0
105.04566	1.5
107.04949	10.3
107.08624	3.5
108.05742	2.0
109.06523	44.5
109.07269	2.5
109.10159	44.1
110.06070	1.3
117.07015	2.6
119.06042	2.7
119.08592	14.1
121.06534	4.8
122.03688	2.5
122.07289	52.1
135.07974	1.6
137.02501	1.7
137.05974	8.4
137.09621	100.0
138.05487	1.3
138.09938	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	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03939	1.7
55.05503	1.4
63.12746	0.5
65.03927	0.8
66.04712	1.1
67.05508	19.6
69.03435	1.4
77.03929	0.6
79.05502	3.3
81.03409	1.2
81.07055	8.0
91.05482	11.0
93.07043	3.6
94.04186	10.2
94.07817	0.7
95.04969	2.8
95.08612	6.8
103.05450	0.8
107.04958	13.5
107.05643	1.1
107.08597	1.0
109.06553	2.8
109.10161	28.6
117.07000	1.6
119.04991	0.8
119.08590	15.1
121.06509	5.9
122.03658	19.4
122.07290	67.4
123.07616	1.3
135.08044	4.1
137.02464	1.8
137.05983	40.0
137.09619	100.0
138.09953	1.8
140.15987	0.5
147.33490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02364	0.5
53.03956	3.9
55.01878	2.9
55.05513	4.8
57.03440	0.7
57.07080	1.1
60.63374	0.4
65.03946	3.0
67.05509	47.8
67.63662	0.5
69.03444	2.5
69.07065	2.2
69.72841	1.1
69.73248	2.3
72.97009	0.5
77.03933	0.6
79.05499	7.7
81.03434	3.7
81.07061	25.3
83.04976	1.9
91.05487	28.3
92.05823	0.8
93.07048	8.8
94.04195	7.0
94.07832	1.4
95.04974	21.1
95.08612	18.5
98.25746	0.5
100.17526	0.5
103.05480	1.2
104.06264	0.6
105.04507	1.3
107.04962	11.3
107.08600	3.5
108.05743	1.9
109.06526	49.4
109.10162	40.1
110.06040	0.7
110.09744	0.5
110.10457	0.7
117.07032	2.2
119.04943	2.9
119.06065	2.2
119.08592	13.4
121.06506	4.6
122.03671	6.4
122.07292	48.4
123.07639	0.6
135.08092	2.0
137.02525	2.8
137.05957	20.8
137.09624	100.0
137.13264	1.6
138.05495	1.6
138.09982	1.4
143.63518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	0.4
53.03949	0.7
55.01871	0.3
59.88077	0.2
65.03942	0.9
66.04390	0.3
66.04726	3.3
67.05499	0.7
69.29874	0.2
70.76183	0.5
77.03936	0.6
79.05498	3.5
81.03422	0.3
81.07051	1.7
91.05491	3.0
93.07030	0.3
94.04193	26.8
95.04461	0.2
95.05003	0.9
95.08630	0.4
105.03392	0.5
105.04507	0.4
107.04961	1.4
109.06519	0.8
119.04925	0.2
122.03658	49.0
123.04005	0.6
135.04440	0.6
137.05986	100.0
138.05417	0.3
138.06355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.3
53.03953	0.7
55.01865	0.5
65.03941	0.6
66.04727	3.1
67.05508	0.5
71.25346	0.4
77.03940	0.5
79.05498	2.8
81.03413	0.3
81.07047	1.6
91.05493	3.0
94.04192	27.4
95.04975	0.6
95.08655	0.3
105.03375	0.3
107.04993	1.1
109.06532	0.8
119.04952	0.2
122.03656	46.0
123.03987	0.5
135.04475	0.4
137.05984	100.0
138.06339	1.3
156.54993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.1
67.02996	0.2
71.44536	0.2
91.05494	8.6
92.02493	0.3
92.05819	0.1
94.04067	2.8
99.85712	0.1
107.04968	0.4
107.51678	0.1
109.05138	0.4
109.06525	0.2
112.05054	0.1
118.06564	0.2
119.03571	8.2
119.04905	2.7
120.03912	0.1
136.06203	100.0
137.04604	3.3
137.06697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
57.48169	0.2
62.08287	0.2
65.65527	0.2
67.02982	0.3
69.03442	0.2
70.06538	0.9
91.05479	0.9
92.02490	0.3
93.05776	0.3
93.07075	0.2
94.04056	2.6
98.24117	0.2
108.08116	0.4
109.01093	0.2
109.05141	0.5
112.05116	0.3
118.06559	0.2
119.03556	8.0
119.04877	0.3
136.02187	4.3
136.06189	100.0
137.04601	3.9
137.06554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	5.2
55.01863	2.1
55.05500	5.2
60.66355	1.4
63.41677	1.3
64.93576	1.2
65.03928	3.0
67.05509	2.4
69.07056	1.6
70.03354	1.4
70.86221	3.4
79.05072	2.5
79.05495	22.1
81.07023	1.8
91.05485	44.6
93.07038	40.4
95.04973	3.7
103.05473	2.3
105.04505	1.9
105.07034	23.1
107.04956	4.9
107.08595	100.0
109.06506	5.7
112.79508	1.3
115.05453	6.4
117.07005	7.9
119.06077	4.5
119.08582	18.0
120.09342	5.7
122.06105	1.4
131.30502	1.3
133.10123	1.8
135.04419	9.7
135.05382	2.1
135.08067	26.4
135.10727	2.7
135.11700	43.2
136.02155	9.3
136.06183	10.0
136.07516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01869	1.8
55.05512	5.8
57.07074	2.2
58.20486	1.3
64.13476	1.1
65.03941	2.5
67.05507	2.2
69.03407	1.4
69.07058	1.6
70.09954	2.4
70.10313	3.2
75.93543	1.1
79.05071	2.0
79.05496	26.0
80.05035	1.2
81.07047	3.2
91.05486	43.4
93.07046	46.7
95.04964	4.6
105.04543	1.4
105.07040	20.1
106.07834	1.5
107.04955	10.1
107.08595	100.0
109.06522	4.5
115.05463	5.5
117.07023	6.1
119.06078	3.8
119.08598	14.5
120.09350	4.9
125.06218	1.1
135.04405	7.7
135.05376	2.3
135.08078	14.8
135.11694	48.8
136.02168	9.7
136.06180	10.3
136.07169	1.2
136.07628	1.9
147.09140	1.1
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
53.03932	9.8
54.22783	3.2
55.01870	5.6
55.05500	7.7
63.50980	2.5
67.05487	9.0
69.03437	3.3
69.27560	22.9
73.01303	2.9
79.05502	48.2
81.07045	6.5
91.05488	54.5
92.06264	4.2
93.07045	56.6
95.04950	5.5
105.04507	3.5
105.07021	25.5
107.04959	32.4
107.07883	5.6
107.08599	100.0
109.01067	3.2
109.06515	4.8
115.05445	6.1
117.07015	13.5
119.03532	5.1
119.06042	5.8
119.08551	17.4
133.10161	3.6
135.04402	21.6
135.05518	7.1
135.06583	5.0
135.08073	40.7
135.11685	45.4
136.02168	47.0
136.05165	5.7
136.06181	68.1
136.07524	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03930	5.7
55.05500	7.1
64.93962	2.0
65.03939	2.6
67.05505	2.7
69.07070	2.2
79.05076	2.1
79.05498	25.8
81.07078	1.7
85.46341	1.9
91.05486	43.7
93.06491	2.9
93.07047	48.1
95.04950	6.0
100.26433	1.8
105.04530	3.1
105.07044	21.9
107.04944	7.8
107.08598	100.0
109.06501	6.4
115.05450	2.2
117.07008	4.0
119.06049	2.5
119.08591	18.6
120.09346	5.5
133.10135	2.7
135.04405	6.0
135.05437	3.1
135.08083	9.0
135.11708	39.8
136.02246	3.7
136.06183	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03946	5.0
55.01876	20.6
60.49912	2.2
65.03945	10.4
67.05502	9.1
69.03432	26.9
70.36559	7.7
70.36907	4.3
79.05499	57.3
91.05489	100.0
92.06261	3.7
93.07058	21.1
95.04964	8.3
105.07034	38.9
107.04974	10.6
107.08604	78.9
109.06522	13.2
111.23058	2.6
115.05464	40.1
117.07025	36.1
118.14718	2.4
119.03551	4.5
119.06092	11.3
119.08596	4.5
120.05743	2.3
135.04469	4.1
135.05562	5.0
135.08075	93.7
135.09061	4.4
135.11649	12.1
136.02176	9.6
136.05188	3.2
136.06200	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01864	2.0
55.05504	5.3
57.07074	1.2
65.03941	2.5
66.65102	1.1
67.05499	2.6
69.07064	2.0
69.35112	1.4
70.77103	2.4
70.77454	2.1
77.03940	1.4
79.05499	23.8
80.05016	1.4
81.07052	3.8
81.81580	1.1
89.03939	1.4
91.05487	42.2
93.07049	45.0
95.04996	5.8
98.23403	1.3
103.05473	1.3
105.04482	3.2
105.07027	22.6
106.04198	1.6
107.04957	8.3
107.08598	100.0
108.08906	1.3
109.06506	4.4
109.90842	1.4
115.05461	2.1
117.07023	2.8
119.06052	4.6
119.08581	16.6
120.09384	7.0
135.04414	7.6
135.05504	2.8
135.06607	1.3
135.08087	13.9
135.09032	2.2
135.11697	40.0
136.02184	6.8
136.06194	13.0
136.07153	1.6
136.07536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.4
55.01875	18.9
55.05503	5.1
57.54091	1.6
59.49564	1.8
59.66464	1.8
65.03943	10.5
67.05508	17.5
69.03432	18.3
69.07064	3.2
69.29630	6.6
69.30050	8.7
77.03921	1.8
79.05498	78.4
81.03318	1.8
81.07061	7.4
91.05489	100.0
92.06295	2.0
93.07047	45.9
95.04963	9.5
99.13231	2.2
105.04551	3.1
105.07038	38.7
107.04954	15.5
107.08603	96.1
109.06546	14.1
113.25927	1.8
115.05453	28.9
115.68195	1.9
117.07037	30.4
119.03532	2.8
119.06065	8.9
119.08617	3.9
135.04466	12.2
135.05386	2.2
135.06523	2.9
135.08070	76.6
135.09126	3.9
135.11697	26.7
136.02179	26.2
136.05177	2.5
136.06206	42.5
136.07533	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03939	2.7
55.01878	17.5
55.05519	1.7
60.09938	1.2
64.60445	1.2
65.03951	11.7
67.05508	7.7
69.03436	18.7
69.79199	4.9
79.05498	60.6
81.03379	1.3
91.05486	100.0
92.05781	1.5
92.06270	2.3
93.07050	15.0
95.04977	7.7
95.31130	1.0
98.51122	1.3
105.06309	1.8
105.07035	34.4
106.04194	1.3
107.04965	6.0
107.08600	78.2
107.55502	1.1
108.08932	2.0
109.06528	13.9
115.05457	29.8
116.47935	1.2
117.07021	33.8
119.06065	11.8
119.08585	1.5
120.05744	2.2
120.42789	1.2
135.04442	2.1
135.08061	75.7
135.11717	3.5
136.02197	6.6
136.06172	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03937	5.8
55.01878	12.7
60.81498	2.5
65.03936	11.0
67.05502	9.6
69.03436	16.5
69.20281	23.4
72.92825	2.3
74.29642	2.1
78.56372	2.4
79.05495	77.2
80.05801	2.3
81.07027	3.7
91.05484	100.0
93.07043	40.3
95.04978	9.0
105.04525	3.0
105.07030	42.1
107.04952	16.9
107.08591	95.4
109.06516	11.9
110.06792	2.6
115.05450	31.9
117.07022	29.8
119.06071	17.0
119.08578	4.7
135.04445	8.5
135.05435	3.8
135.08063	95.1
135.11679	17.6
136.02193	14.2
136.06197	29.4
136.07318	3.6
136.07489	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03941	3.9
55.01881	15.4
55.05504	2.3
60.10671	1.6
65.03942	8.8
66.89795	1.3
67.05497	5.7
68.30884	1.2
69.03429	20.9
71.11016	2.7
76.36942	1.4
79.05495	60.1
83.04434	1.8
88.46725	1.4
91.05486	100.0
92.06276	3.5
93.07047	23.4
94.07311	2.1
95.04951	9.3
105.04563	2.1
105.07040	38.3
107.04964	8.4
107.08601	92.2
108.08887	1.7
109.06530	11.3
112.04890	1.3
115.05464	29.9
116.06245	2.0
117.07023	31.1
119.03568	2.0
119.06074	10.9
119.08591	4.0
120.05717	2.2
135.04411	6.5
135.05476	3.0
135.08061	78.1
135.11697	11.1
136.02170	13.7
136.06184	24.8
136.07301	1.9
136.07518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03951	3.5
53.51364	1.8
54.29068	1.4
55.01869	17.0
65.03952	7.9
67.05500	9.7
69.03441	12.3
69.25526	14.6
78.40405	1.5
79.05496	60.7
81.07044	4.1
91.05486	100.0
93.07055	24.1
93.66066	1.5
95.04964	7.5
98.88081	2.3
100.28953	1.6
105.07034	36.3
107.04959	9.5
107.08600	83.5
109.06527	12.2
115.05464	27.3
117.07011	27.7
119.05341	1.5
119.06042	9.3
119.08575	11.5
135.04472	9.5
135.05426	2.1
135.08066	65.3
135.09120	3.4
135.11699	22.7
136.02164	18.7
136.06187	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.79685	1.0
53.03943	2.3
54.93236	1.0
55.01875	17.1
55.05508	1.2
59.24599	1.0
65.03941	8.7
67.05515	8.8
69.03433	17.9
71.43967	2.2
75.08199	1.0
75.94221	1.0
77.03904	0.9
79.05499	55.6
91.05489	100.0
92.06278	2.4
93.07056	14.1
95.04995	6.2
105.04529	1.8
105.07042	34.8
106.04183	1.7
107.04974	5.0
107.08603	71.8
109.06522	11.9
115.05469	32.1
117.07026	30.3
119.03600	1.9
119.06080	12.6
120.05785	2.0
122.83925	1.0
135.04420	3.0
135.08069	67.3
135.11702	3.4
136.02171	4.8
136.06200	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	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02369	0.3
53.03946	3.2
55.01875	1.9
55.05505	0.9
63.02370	0.4
65.03938	0.7
67.05517	1.3
69.03427	0.4
69.07085	0.3
69.09710	0.2
71.51894	0.4
77.03922	0.7
77.41887	0.3
79.05497	30.0
81.03422	0.5
81.07066	0.9
89.03922	11.7
91.05487	8.6
93.07050	7.5
95.04974	3.5
105.03450	0.3
105.04525	1.8
105.07030	2.3
107.04959	11.0
107.08604	12.0
109.01110	0.3
109.06535	0.7
111.04437	0.4
115.05466	1.0
117.03393	5.2
117.07037	2.7
119.03571	0.6
119.06123	0.5
119.08594	1.1
127.59457	0.2
133.02856	2.5
135.04430	100.0
135.05504	5.5
135.08057	6.2
135.11697	4.4
136.02174	4.3
136.04803	1.0
136.06203	7.4
136.07576	1.1
137.04616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.58941	0.9
53.03943	4.9
55.01894	0.9
56.20728	1.1
56.95542	1.2
57.26117	1.0
60.96410	1.0
63.02377	3.5
69.25610	10.1
77.03959	1.2
79.05500	19.7
87.32232	1.0
89.03921	95.5
90.04696	2.7
91.05475	3.4
93.07048	1.3
95.04964	2.6
98.21496	1.7
105.04572	2.9
107.04963	25.6
107.08587	2.6
111.54973	1.3
112.55752	15.2
113.05940	1.8
117.03384	41.9
118.06529	1.5
119.03557	2.0
135.04420	100.0
136.02130	3.3
136.06198	17.6
145.04001	1.4
149.97314	1.2
154.46761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
55.01866	5.6
55.05511	4.3
56.70330	3.3
57.03444	58.0
58.99836	4.2
61.02916	12.7
68.02666	4.2
68.98283	4.5
69.03441	17.7
70.88168	9.8
70.99860	8.7
72.52958	10.8
73.02927	25.4
76.08821	3.3
77.52177	13.1
78.52943	12.1
79.02151	4.3
79.05492	5.1
79.51917	3.7
81.03419	10.5
81.53493	5.6
82.01446	29.8
82.99862	7.7
83.01517	4.2
84.08131	10.1
84.52953	7.0
85.01402	4.3
85.02888	7.9
85.53735	13.4
86.52701	59.9
87.02776	4.0
88.02688	29.7
90.52952	4.9
92.52679	9.4
93.01888	10.0
93.53471	8.4
95.53216	22.3
97.01357	6.4
97.02897	6.2
99.04462	6.0
99.53468	6.9
100.02483	53.4
101.00883	64.3
101.02557	6.9
101.53199	4.8
102.02396	28.1
103.02443	5.1
104.52699	5.2
106.06557	3.8
107.53210	4.1
109.02897	5.5
111.02959	20.2
113.00870	17.2
113.53194	11.2
115.02473	18.6
118.03527	23.0
119.01928	75.8
119.03645	4.1
120.02029	9.3
120.03336	4.3
121.01701	4.4
124.02438	26.3
131.01903	41.1
133.03465	9.5
133.38550	3.8
134.03644	4.4
134.05986	8.8
137.02980	8.9
137.95868	4.6
142.03505	100.0
143.01933	27.1
143.03609	8.9
144.02097	4.2
144.03197	4.1
154.03465	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94088	0.2
53.03942	0.5
69.03433	0.3
70.06575	0.6
70.30054	0.5
70.30441	0.7
72.86508	0.3
77.03950	0.4
79.05494	2.9
88.02228	0.4
91.05491	3.7
93.07052	9.6
95.04995	0.4
103.05481	1.4
105.07036	100.0
106.06709	0.3
106.07343	1.5
114.67635	0.3
115.05450	0.6
117.07019	1.2
118.07787	0.5
131.08586	1.1
133.06676	1.2
133.07584	0.6
133.10138	33.6
134.10503	0.4
145.99121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03947	0.6
53.23873	0.2
55.05500	0.4
66.95480	0.3
70.06593	0.9
71.42003	0.3
79.05495	3.0
83.76187	0.2
88.02208	0.6
91.05483	5.0
93.07050	9.4
95.04965	0.5
103.05471	1.5
105.07036	100.0
106.07375	1.1
112.35791	0.3
115.05454	0.8
116.07169	0.3
117.07021	1.4
118.07822	0.7
131.08553	1.2
133.06487	1.6
133.07602	0.7
133.10136	33.2
134.06053	0.3
134.10484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03937	1.3
55.05522	1.9
63.25651	0.4
67.05511	0.5
70.03393	1.8
70.06588	0.9
74.02426	0.6
79.05494	4.5
83.34505	0.5
88.02175	0.6
91.05486	15.5
93.07037	4.0
95.04958	1.0
97.02879	0.5
103.05497	1.8
105.07037	50.2
106.07330	0.5
107.08575	0.9
112.02242	0.4
115.05476	4.6
116.06230	1.2
117.07024	5.7
118.07804	6.4
119.21217	0.4
123.07917	1.1
129.07033	0.5
130.93903	0.4
131.08585	6.6
133.06606	3.6
133.10136	100.0
134.10460	1.4
138.23840	0.4
143.76729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98784	0.2
51.02380	0.3
53.03942	0.8
55.01869	0.2
55.05520	1.4
56.35344	0.2
57.62897	0.2
65.03938	0.3
65.59883	0.2
67.05497	0.8
67.44640	0.2
69.03400	0.3
69.95233	0.6
70.06587	0.7
74.02444	0.4
77.03925	0.4
77.97325	0.2
79.05495	4.5
87.00822	0.2
87.10023	0.4
88.02208	0.3
91.05483	15.5
93.07047	3.9
95.04971	0.7
97.02917	0.5
103.05470	2.1
105.03390	0.3
105.04558	0.6
105.07032	43.6
106.06645	0.2
106.07362	0.3
107.08586	0.9
115.05455	3.9
116.06224	0.7
117.06274	0.1
117.07014	5.1
118.07801	6.1
127.88430	0.3
131.08575	5.1
133.02908	0.5
133.06491	1.9
133.10132	100.0
134.10475	1.9
146.14351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03952	1.2
55.01875	0.6
55.05519	1.7
55.97038	0.3
56.65511	0.3
65.03937	0.4
68.49983	0.3
69.03423	0.7
69.96983	1.0
70.06603	1.8
73.02923	0.3
74.02443	0.8
77.03938	0.6
79.05502	5.1
81.00423	0.3
87.10050	0.7
88.02234	1.1
90.00671	0.3
91.05487	16.1
92.06300	0.3
93.07056	3.7
96.02747	0.3
97.02901	0.7
100.36570	0.3
103.05462	2.4
104.06266	0.4
105.03420	0.5
105.07040	47.5
106.06624	0.4
106.07372	0.7
107.08598	1.0
112.02211	1.1
113.02984	0.9
115.05457	4.8
116.06281	0.7
116.07036	0.4
117.07024	4.9
117.07771	0.5
118.07806	5.6
123.07946	1.9
129.07031	0.6
131.08572	7.2
133.02887	0.6
133.06644	4.2
133.10139	100.0
134.06033	0.5
134.10493	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.26007	0.6
53.03944	0.9
55.05503	1.0
67.42509	0.6
71.37801	0.9
74.59986	0.6
77.03918	0.6
79.05508	3.4
91.05486	12.2
93.07069	3.9
95.04965	0.9
103.05476	1.3
105.07043	36.0
106.07422	0.8
115.05456	4.3
116.06267	1.6
117.07043	4.8
118.07810	5.5
131.08600	5.9
133.10146	100.0
134.10471	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.05019	0.2
57.05807	0.5
58.06608	0.6
60.12560	0.1
65.30302	0.1
67.05518	0.2
69.07069	17.9
70.07419	0.2
70.94650	0.1
70.95009	0.2
73.06561	0.2
73.28481	0.1
79.11463	0.1
84.08151	0.1
86.09707	100.0
87.10036	1.0
91.30828	0.1
101.46716	0.1
113.62405	0.1
132.10204	1.1
136.79169	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0498
Annotation	Glutarate
Peak:m/z	Relative Intensity
53.03953	24.6
55.01875	32.2
55.05508	4.3
56.96552	8.9
57.03422	5.2
69.03436	27.6
70.06585	15.8
71.01347	6.3
71.04981	16.8
71.48199	5.6
72.04513	3.8
73.02916	22.0
73.06540	4.3
74.02435	17.5
75.50851	3.5
75.74533	3.7
77.03918	4.1
79.05490	13.5
86.09727	6.1
86.10210	4.4
87.04468	31.8
87.05608	4.6
87.10029	17.5
88.02212	15.7
88.03989	9.9
90.94850	3.8
91.05482	35.5
93.52115	3.8
93.70463	4.1
95.04955	6.2
97.02892	24.7
101.02378	9.5
103.05448	8.6
105.03397	11.5
105.07038	100.0
106.06557	5.8
115.03944	43.8
115.05461	5.5
116.07106	7.2
121.68752	4.0
131.06895	6.8
131.08635	4.4
133.02846	15.5
133.04951	8.0
133.06491	57.2
133.07617	39.6
133.08492	6.6
133.10117	45.7
134.05989	12.8
134.07133	10.6
148.14877	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	131.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01862	7.8
55.05501	9.3
56.96570	4.6
57.03438	14.0
58.06586	8.3
58.50709	2.6
58.99858	2.9
59.06917	4.0
60.04499	3.4
60.05653	24.7
61.02908	4.7
65.03918	7.0
65.51164	2.2
65.52194	3.4
67.05496	9.9
68.05010	3.2
69.03425	12.7
69.07056	9.5
70.03751	5.2
70.06595	15.8
70.14683	9.3
71.02974	5.8
71.04978	5.3
71.53034	2.4
72.04541	3.9
72.08154	100.0
73.02905	4.1
73.08493	5.4
74.02407	2.8
74.08810	2.9
75.09222	2.4
78.52948	7.6
79.05457	3.7
80.03474	3.7
81.03399	10.3
81.07033	3.4
82.01447	18.1
84.04494	7.1
84.08148	29.5
84.52943	5.8
85.02890	7.7
85.04832	5.4
85.07932	3.5
85.08469	42.7
85.53754	5.1
86.06062	7.1
86.08822	5.3
86.09705	38.6
86.52688	2.7
88.02713	3.1
88.03968	6.2
91.05424	9.6
91.53735	5.7
92.52673	2.6
92.57606	9.0
93.01865	4.5
93.03361	5.5
93.53475	6.0
95.04956	6.2
95.08603	6.8
97.02894	4.6
97.07652	5.8
97.53712	6.9
98.20909	2.5
98.52648	4.7
98.54505	3.7
99.01865	3.2
99.03698	2.9
99.53497	2.8
99.58386	2.9
100.01877	4.0
100.02493	69.0
100.04495	3.0
101.00890	5.8
101.02530	10.4
102.02280	11.2
103.02464	5.0
103.05478	21.4
105.06841	5.5
105.53466	7.1
106.03608	3.5
106.05045	7.0
106.54236	3.9
109.02950	2.9
110.56408	3.0
111.02875	4.1
111.04385	2.3
111.55292	3.3
112.07610	5.9
112.11211	7.1
112.54800	2.6
113.00928	3.1
113.02354	3.3
113.07233	2.7
113.07939	25.2
113.11536	4.3
114.10316	15.5
114.11920	26.9
114.53953	2.8
118.02692	4.3
118.03508	34.3
119.01904	10.8
119.53146	3.0
119.56840	3.3
120.03245	2.6
121.06496	2.6
122.53696	4.2
129.03932	3.2
129.13837	2.8
131.01904	10.2
131.03442	2.5
131.04941	7.8
131.09004	11.5
131.12933	5.2
131.14580	5.9
132.04312	3.1
132.05164	4.1
133.03474	3.9
135.05052	3.2
142.03488	10.5
143.01875	3.5
145.03500	5.5
147.05006	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	130.0865
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
51.15167	0.4
52.14886	0.4
54.12906	0.5
56.05031	2.2
57.02043	0.5
58.06610	0.5
62.23421	0.4
67.05509	0.9
70.06600	0.6
70.35855	1.5
72.08153	1.5
73.08491	0.6
76.51238	0.6
77.53442	0.5
84.04495	1.4
84.08144	100.0
85.08480	2.9
88.51707	1.9
89.01759	0.6
100.02490	1.7
100.52506	0.6
112.07587	2.2
113.11586	4.6
124.50817	0.5
130.08646	20.6
130.09630	1.1
130.14189	1.6
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
57.07079	41.0
69.03433	1.7
69.78574	3.4
72.08157	0.7
74.09724	31.7
75.66946	0.6
84.04505	3.2
84.08147	1.9
89.74744	0.7
98.20757	0.9
103.19270	0.7
109.37450	0.8
109.74151	0.6
112.07615	5.0
130.06543	0.8
130.08607	1.6
130.15927	100.0
131.16226	1.5
136.14769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	5.0
57.03444	0.2
68.99809	0.2
69.03435	1.6
69.07061	0.5
70.06594	3.3
70.94090	0.2
70.94441	0.4
71.04990	1.0
74.02438	0.7
84.04509	100.0
84.08144	32.9
84.08681	0.2
85.02945	0.2
85.04838	0.7
85.08467	0.2
87.01936	0.2
90.77590	0.2
98.07193	0.5
102.05543	0.6
112.07616	5.1
112.11258	0.3
130.05013	11.4
130.08649	8.3
130.09515	0.2
130.12277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
56.05040	5.0
57.03444	0.2
68.99809	0.2
69.03435	1.6
69.07061	0.5
70.06594	3.3
70.94090	0.2
70.94441	0.4
71.04990	1.0
74.02438	0.7
84.04509	100.0
84.08144	32.9
84.08681	0.2
85.02945	0.2
85.04838	0.7
85.08467	0.2
87.01936	0.2
90.77590	0.2
98.07193	0.5
102.05543	0.6
112.07616	5.1
112.11258	0.3
130.05013	11.4
130.08649	8.3
130.09515	0.2
130.12277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0502
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
50.40651	0.3
54.07771	0.3
56.05033	5.1
57.06824	0.3
67.05510	0.8
69.03432	28.0
69.07078	3.3
69.69968	1.1
69.70389	0.6
70.06594	1.3
71.04990	0.8
81.20591	0.3
82.06585	1.7
84.04507	100.0
84.08145	33.5
85.02908	1.7
85.04842	0.7
102.05545	1.1
105.56726	0.3
112.07608	95.5
113.07942	1.1
130.05005	13.6
130.06575	0.8
130.08646	30.5
130.12309	0.5
130.15892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49509	0.3
56.05040	4.5
57.03437	0.3
60.21991	0.2
67.05514	0.7
69.03437	13.1
69.07073	1.3
70.06604	0.6
70.67959	0.9
70.77573	0.3
71.04990	0.6
79.86732	0.2
82.06584	0.8
82.41025	0.3
84.04513	100.0
84.08149	29.0
85.02921	1.4
85.04828	0.7
94.06605	0.4
102.05557	0.8
112.07616	41.7
113.07944	0.3
130.05016	11.0
130.06549	0.8
130.08653	16.9
131.03365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0756
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
51.02385	0.6
53.03948	10.0
55.01879	4.4
55.05522	3.6
57.03442	6.0
57.54538	0.5
59.05007	1.6
65.03931	1.1
66.04708	0.8
67.05500	2.4
69.03423	2.7
69.54408	3.6
71.04988	7.3
79.05495	31.8
81.02929	0.8
81.03423	24.1
81.07059	100.0
82.06592	1.1
82.07391	1.3
82.89108	0.6
83.04996	1.9
85.02921	1.0
85.06548	9.1
86.28101	0.5
97.02859	0.7
99.04453	4.3
99.08075	0.8
99.88677	0.6
100.86347	0.5
109.02885	36.5
109.06520	51.1
127.03924	53.8
127.07555	21.7
128.07080	1.4
141.06639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0599
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
53.03943	6.7
55.01885	8.3
55.05506	6.4
66.60475	1.3
67.05499	4.9
69.03435	2.9
69.07072	15.6
70.92661	1.4
71.37459	3.3
75.44844	1.5
76.10514	1.4
76.16133	1.7
79.05496	33.5
81.03420	20.3
83.04985	100.0
95.04968	3.1
97.02898	5.5
97.06533	64.8
105.04574	1.5
105.30338	1.4
107.04975	4.3
125.02372	1.5
125.05993	16.4
125.09639	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	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.47086	0.3
55.01876	0.6
55.05511	18.5
56.05039	2.6
57.03430	0.6
58.06593	0.6
65.03923	0.3
67.05492	1.4
69.03428	2.7
69.71597	1.8
70.06596	5.0
70.54823	0.3
71.04968	0.6
79.05069	0.5
79.05495	6.1
80.05000	1.4
81.03426	2.3
81.07056	23.8
83.07358	0.3
83.08154	0.6
83.08619	8.1
84.04498	1.2
84.08160	2.0
85.94552	0.3
91.05484	1.6
93.05778	2.1
96.04492	2.0
96.08159	0.5
97.05270	11.5
98.06058	9.3
98.09697	7.9
99.04436	0.7
108.04487	2.0
108.08116	13.4
109.02884	4.9
109.06518	23.4
111.06811	1.0
126.05554	2.3
126.09155	100.0
127.03915	4.9
127.09510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.076
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03941	3.1
55.01859	0.5
55.05509	1.9
56.05064	0.4
65.03945	5.1
67.04243	1.3
67.05498	1.4
68.01390	1.0
68.05024	2.0
68.05852	1.3
69.07071	0.9
70.02944	0.6
71.51948	0.8
78.03458	1.7
79.05495	33.2
80.05016	6.6
80.05769	0.5
81.03411	1.7
81.05354	0.7
81.05798	9.2
81.07057	35.6
82.06580	66.1
83.04983	0.5
94.02919	0.9
94.06573	3.4
95.04963	2.2
96.04496	11.0
96.05293	3.2
96.08133	26.3
96.08920	2.5
97.02841	1.1
97.06530	1.1
101.00876	0.7
101.02647	0.5
106.06558	11.1
106.07279	1.1
107.04948	5.0
109.05281	3.2
112.03985	5.4
112.72094	0.5
113.44424	0.5
119.01904	1.6
122.02454	0.5
124.03960	34.3
124.04698	1.2
124.05940	3.4
124.07591	100.0
124.11209	3.4
125.05951	0.5
125.07957	0.8
125.09690	1.0
132.52794	0.5
140.03435	3.0
141.63962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.03455	0.5
55.01870	0.4
55.05519	2.0
56.05035	0.6
56.96562	1.0
58.06589	0.6
59.07360	0.4
60.08169	0.4
61.94172	0.3
65.03933	0.5
67.05508	3.1
68.05027	2.5
69.03425	0.7
69.07054	0.4
70.48256	0.8
70.48585	0.4
78.03449	1.7
78.06329	1.4
79.01871	0.3
79.05492	2.4
80.05022	6.4
80.05764	0.4
81.03421	0.4
81.05350	1.5
81.05791	0.9
81.07060	1.2
82.00006	0.4
82.01405	0.3
82.06587	9.3
82.99862	0.4
83.04990	0.4
83.06107	0.4
83.07368	0.8
91.00492	0.5
91.05508	0.5
94.02919	0.3
94.06561	0.7
95.04971	0.6
95.07350	0.6
95.08604	0.6
96.04503	14.7
96.05292	2.1
96.08141	12.1
97.02910	1.5
97.04810	0.8
101.00886	3.7
101.02585	1.6
106.02970	0.3
106.06553	0.9
107.06066	0.4
107.08582	0.5
109.05257	1.6
109.08895	0.8
112.01047	0.4
112.03973	5.4
117.10250	0.6
119.01933	17.4
119.03614	0.7
122.09696	0.6
124.03964	58.1
124.05890	7.8
124.07601	12.2
124.08698	4.6
124.11234	100.0
125.02357	1.0
125.06076	0.6
125.07121	1.8
125.11586	1.1
137.02960	4.2
140.03442	3.5
142.03493	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01869	1.0
55.05535	0.8
57.03431	2.1
58.06605	5.1
58.06842	0.9
58.99867	1.3
59.05011	1.2
59.07376	3.9
60.08162	1.6
63.09858	0.9
67.05517	4.6
68.05022	4.2
69.03419	2.2
69.07088	1.1
70.77541	2.6
70.99857	1.1
77.00912	1.9
78.03448	3.6
78.06341	11.7
78.56522	1.2
79.03796	1.3
79.05492	3.7
80.05027	13.6
81.04568	4.4
81.05353	6.9
81.07050	1.6
82.06581	3.7
82.99840	1.9
84.08142	2.1
86.10052	0.9
89.02557	1.4
92.07903	1.4
94.02920	1.6
94.06596	1.0
95.04993	2.1
95.06151	1.4
96.04500	35.8
96.05293	4.0
96.08126	3.5
97.02890	6.6
97.04800	2.6
97.05306	2.6
99.09217	2.7
100.02499	4.0
100.07610	1.5
101.00887	20.1
101.02560	10.0
102.02248	3.6
103.02289	1.3
106.06572	1.4
107.03287	1.6
112.03968	13.6
117.10266	8.6
118.03495	1.6
119.01930	94.2
119.03609	5.9
120.02056	1.5
120.03284	2.1
121.01696	2.4
123.59523	1.1
124.03966	100.0
124.05911	41.4
124.07595	12.0
124.08704	4.4
124.11233	8.6
125.02360	3.5
125.04340	1.1
125.07211	1.2
137.02966	37.6
140.03452	7.4
142.03522	7.7
143.11841	1.8
144.03329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01869	1.0
55.05510	4.6
57.07076	4.4
65.03942	1.4
67.05506	20.5
68.05007	0.6
69.07063	2.6
70.13885	1.1
70.14282	1.0
75.19158	0.4
77.03912	0.4
78.03460	1.3
79.01870	0.7
79.05495	13.3
80.05019	26.8
80.20826	0.4
81.03423	1.4
81.07057	85.9
82.01461	2.6
82.06570	0.5
82.07407	0.7
88.02360	0.6
91.05467	0.6
93.07056	2.7
94.07818	0.7
95.04974	27.6
95.05973	0.7
95.08611	17.5
95.31403	0.4
96.04495	10.7
100.02483	12.3
105.04522	1.8
105.07032	1.3
106.02914	1.4
106.07371	0.7
107.05002	0.5
108.05760	2.2
108.09423	0.5
112.03987	1.8
118.03529	7.8
121.10133	1.4
123.04473	10.4
123.05554	100.0
123.08061	41.0
123.09090	1.2
123.11704	26.8
124.03954	13.8
124.05930	0.5
124.11204	0.9
141.05051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01886	0.9
55.05512	5.2
57.07080	3.1
65.03954	1.9
67.05510	24.5
69.07066	1.7
71.52806	0.9
76.16051	0.5
77.03926	0.7
78.03468	1.9
79.05499	15.1
80.05022	25.6
81.03427	1.7
81.07062	100.0
82.01463	2.9
82.07408	1.0
91.05470	0.8
93.07037	2.6
94.07819	0.6
95.01373	0.5
95.04974	24.0
95.05576	1.2
95.08613	17.5
96.04504	8.8
97.70948	0.5
100.02491	10.6
105.04523	1.1
105.07033	2.1
106.02918	1.7
107.05001	0.5
108.05767	3.0
112.03983	1.7
118.03545	4.2
118.43482	0.5
121.06541	0.5
121.10104	1.2
123.04481	9.8
123.05562	85.9
123.08070	64.0
123.10831	1.2
123.11711	22.0
124.03967	11.3
124.05909	0.6
124.11248	0.7
124.44904	0.5
133.75574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01889	0.7
55.05510	2.8
57.07079	3.5
59.19998	0.7
67.05145	1.1
67.05511	15.9
69.07069	2.0
70.61189	2.2
71.13634	0.7
71.25205	0.8
74.31946	0.7
78.03452	1.6
79.01854	1.3
79.05506	9.0
79.05931	1.4
80.05024	24.8
81.07067	64.3
82.01440	2.4
84.66934	0.7
86.70927	0.9
87.84462	1.0
91.05513	1.3
93.07073	1.9
94.07831	1.0
95.04977	18.4
95.08617	15.4
96.04506	9.5
100.02489	8.4
102.28719	0.8
105.04543	1.1
105.07046	1.2
106.02927	1.5
107.81034	0.7
108.05747	1.3
109.79160	0.7
112.03977	1.4
118.03542	5.2
121.10171	1.1
123.04510	6.4
123.05566	100.0
123.08068	24.2
123.09126	1.6
123.11716	22.9
124.03970	12.6
124.05931	1.0
124.07596	0.8
124.11258	1.3
140.03413	1.1
143.01767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.6
53.03949	4.1
55.01886	0.7
55.05509	5.9
57.07080	4.8
65.03940	1.4
67.05507	26.9
69.07062	3.2
71.51804	0.7
77.03907	1.0
78.03470	1.6
79.05495	16.0
80.05018	22.9
80.06260	0.8
81.03415	1.7
81.07056	100.0
82.01453	2.3
82.07378	0.8
88.03196	0.5
91.05470	0.8
91.55038	0.5
93.07052	4.4
94.07832	0.7
95.04969	29.5
95.08608	31.4
96.04493	8.9
100.02483	9.1
103.05481	0.6
105.04526	2.0
105.07034	5.9
106.02909	1.7
107.04961	2.5
108.05746	18.2
108.09354	0.6
112.03980	1.3
118.03522	5.0
121.06495	3.2
121.10136	2.0
123.04454	11.1
123.05553	85.5
123.08066	55.8
123.11704	37.1
124.03955	11.7
124.05862	0.8
124.07582	1.1
124.08412	0.6
124.11233	0.7
135.05609	0.5
140.03375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.83236	0.8
53.03942	4.4
55.05517	4.8
57.07066	1.4
64.97443	0.8
65.03935	1.3
67.05506	19.9
70.74050	2.3
77.03925	1.2
78.03460	1.1
79.05492	12.2
80.05021	15.8
80.06288	1.0
81.03419	1.2
81.06594	1.5
81.07057	26.0
82.01446	2.2
93.07052	4.1
95.04971	28.3
95.08607	43.8
96.04483	6.2
100.02478	8.1
103.05450	0.9
105.04509	2.7
105.07025	12.2
106.02912	1.4
107.04958	6.6
108.05741	44.4
109.22327	0.7
118.03539	2.4
121.06500	6.5
122.06855	0.9
123.04450	11.9
123.05549	61.0
123.08064	100.0
123.11683	7.9
124.03951	9.4
125.05994	0.9
135.05560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02368	0.6
52.03160	0.4
53.03949	5.1
55.01873	1.3
55.05269	0.8
55.05514	9.4
56.96577	0.5
57.03429	0.6
57.07063	1.5
65.03936	1.7
67.05509	46.9
69.03437	0.9
69.07050	0.5
70.10793	1.6
75.91095	0.4
77.03901	0.6
78.03465	1.5
79.05492	8.0
80.05020	28.2
80.06266	1.4
81.03420	4.5
81.07060	34.7
82.01437	2.0
91.05489	2.5
93.07050	8.4
95.04974	50.5
95.08612	40.1
96.04501	11.2
96.05156	0.8
98.20781	0.5
100.02484	12.4
105.04504	2.4
105.07030	2.4
106.02918	1.8
106.07384	1.0
107.04982	0.6
108.05722	3.1
110.88192	0.5
112.03977	1.7
118.03525	6.1
121.06541	0.5
123.04473	11.9
123.05560	100.0
123.08069	85.4
123.11696	9.9
123.38838	0.4
124.03959	12.8
124.05901	0.9
124.07627	0.9
124.08437	0.6
124.11237	1.0
140.03473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03947	10.0
54.08719	0.9
55.01866	1.2
55.05271	1.2
55.05515	17.9
57.07074	1.8
61.15740	0.8
62.80384	0.8
64.62472	0.9
65.03934	2.7
67.05509	79.3
69.03423	1.4
69.07079	1.0
71.08673	1.8
77.03935	1.7
78.03455	2.0
79.05499	14.3
80.05020	20.4
80.06280	1.0
81.03410	2.8
81.05783	1.6
81.07059	33.7
82.01440	2.3
82.06581	7.7
83.89964	0.8
91.05492	3.2
93.06478	1.7
93.07047	16.4
95.04974	39.8
95.08611	100.0
96.04504	6.1
96.08120	4.4
100.02489	6.3
103.05483	1.0
105.04504	3.3
105.07030	7.3
106.02920	1.2
106.06571	1.7
106.07311	1.0
107.04954	3.8
108.05751	15.2
112.03923	0.9
118.03506	2.5
121.06496	1.8
123.04454	14.3
123.05556	74.9
123.08071	66.9
123.11711	10.4
124.03957	11.8
124.07590	11.5
124.08411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99059	1.0
67.98407	1.0
70.55064	0.9
70.55392	1.9
78.32145	0.9
82.01447	51.8
82.99835	1.8
100.02487	100.0
101.00887	11.9
101.02596	1.3
109.03368	0.9
118.03533	24.7
119.01932	23.6
123.04018	1.3
137.02939	5.3
142.03499	2.0
143.83083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02390	1.9
53.03949	12.6
53.17215	0.6
54.44336	0.6
55.01882	1.9
59.58321	0.6
62.99115	0.7
67.05510	7.8
71.74197	0.6
77.03931	6.1
78.03471	1.4
78.06328	0.9
79.05502	1.6
80.05022	12.7
81.03426	1.4
81.07061	3.1
82.01449	1.9
93.07050	1.2
95.01319	1.1
95.04973	100.0
95.08620	1.4
96.04511	4.7
100.02493	4.1
105.03370	6.2
105.04496	6.1
105.07018	0.8
106.02960	0.9
118.03500	1.3
119.01936	2.2
123.04441	82.2
123.05550	47.1
123.08068	42.3
123.09013	1.2
124.03960	14.4
124.04819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02394	0.4
53.03954	3.4
55.01864	1.0
55.05276	0.8
55.05517	10.1
57.07079	0.9
65.03952	1.9
67.05509	51.5
69.07063	0.6
69.58898	2.3
77.03938	0.5
78.03452	0.9
79.05505	7.0
80.04569	0.8
80.05022	9.8
80.06267	0.9
81.03425	5.4
81.07061	32.3
82.01452	1.4
83.04976	0.7
90.52569	0.5
91.05489	2.2
93.07050	10.5
94.07798	0.5
95.04975	37.9
95.08612	41.9
96.04504	3.3
96.08922	0.5
100.02490	5.2
103.05479	0.7
105.03398	0.5
105.04503	1.2
105.07026	2.6
106.02927	0.5
107.04965	1.1
108.05754	2.5
108.19273	0.3
112.04013	0.4
115.02066	0.4
118.03522	1.4
121.10149	0.4
123.04479	3.4
123.05573	30.8
123.08074	100.0
123.11703	6.2
124.03973	5.1
124.07583	0.6
124.08421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.62874	0.4
51.02380	1.4
53.03949	15.8
54.85172	0.4
55.01871	2.4
55.05498	0.4
59.16249	0.5
62.39663	0.5
65.03938	1.5
70.06101	1.7
77.03931	4.2
79.05493	0.9
81.03415	2.3
91.05483	46.7
93.04553	0.6
93.07043	54.0
95.04971	15.7
102.04695	1.0
103.05469	65.8
104.05816	0.9
105.04519	8.3
121.04045	1.5
121.06505	100.0
122.06855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03942	7.5
65.03959	1.3
67.05489	1.1
71.25147	1.1
77.03926	2.0
79.05501	32.7
81.07072	1.1
91.05485	15.6
93.07056	20.7
95.04981	6.0
103.05473	17.5
105.04523	3.2
105.07043	100.0
106.07856	5.7
107.04967	7.2
119.08598	13.0
120.05714	1.2
121.02898	1.4
121.04006	0.9
121.06532	19.5
121.10156	81.8
122.07320	2.0
123.08079	12.8
133.07620	11.1
138.06776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0652
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.11475	0.8
51.02375	1.4
53.03719	1.4
53.03957	17.7
53.11226	0.7
55.01865	2.4
61.64724	0.8
65.03936	1.3
70.75641	2.5
77.03940	4.6
79.05490	1.6
80.64904	0.8
81.03407	1.6
91.05497	46.7
92.05831	0.9
93.07056	55.3
95.04987	18.9
102.04681	1.1
103.05481	93.0
104.05814	2.0
105.04536	9.0
105.07034	1.7
121.02967	1.7
121.06524	100.0
121.08440	2.6
122.09715	3.1
130.01332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03716	1.3
53.03952	17.3
55.01868	2.1
65.03955	3.8
69.51086	0.7
70.75521	1.2
70.75840	1.1
75.20785	0.8
77.03933	4.7
79.05496	3.7
81.03421	1.9
91.05492	51.4
92.05819	1.1
93.07053	51.8
94.07364	1.6
95.04979	19.1
98.42698	0.8
102.04690	1.7
103.05480	88.5
104.05805	6.4
105.04524	7.9
105.07041	3.2
111.04477	0.8
121.02913	3.8
121.04018	2.6
121.06520	100.0
121.08395	10.5
121.10178	2.5
122.06052	1.3
122.09692	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	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.0
52.86067	0.7
53.03713	1.2
53.03949	17.9
55.01870	2.7
65.00636	0.8
65.03940	6.8
66.87769	0.6
71.18737	0.7
71.45182	0.8
75.06422	1.1
77.03948	3.4
77.62128	0.6
79.05486	3.3
81.03422	1.7
91.05486	52.9
93.07048	54.3
93.42412	0.6
95.04969	17.5
100.02982	0.6
101.77505	0.8
102.04716	1.1
103.05473	70.3
105.04518	7.5
105.07021	3.0
108.67769	0.8
111.04450	2.5
121.02883	16.0
121.03989	6.9
121.06511	100.0
121.10177	2.0
122.06847	1.7
122.09676	9.1
129.50089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
56.05039	5.6
58.73890	0.6
65.03949	2.9
68.17854	0.6
71.08681	0.9
74.06093	9.8
77.03912	0.9
77.77780	0.5
78.93135	1.8
79.05497	3.2
80.05064	0.7
91.05495	9.9
92.05016	3.8
92.05822	8.7
93.04589	0.5
93.07055	15.0
95.04979	2.1
96.94225	1.3
102.04767	0.7
102.05549	2.2
103.05478	52.6
104.05779	1.2
105.04533	0.8
105.07062	4.0
105.24897	0.6
110.06062	0.8
114.53590	0.5
118.06577	1.2
118.07365	1.3
119.08627	0.6
120.04500	4.9
120.05613	8.5
120.08121	100.0
120.08900	7.6
121.02901	1.0
121.03992	1.2
121.06528	3.8
121.08492	1.1
121.10201	2.9
137.96782	0.6
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	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03953	1.8
56.09430	0.9
63.34769	0.8
65.03934	1.7
66.77288	0.8
71.53282	1.5
74.06068	1.1
78.04716	1.2
79.05493	5.2
90.29580	1.0
91.05486	65.8
93.07055	4.6
95.04959	2.2
98.85817	0.8
99.36632	0.9
102.09180	1.1
103.05476	9.9
104.06267	8.5
105.04549	1.0
115.05453	3.1
117.07023	27.5
119.06082	3.2
119.08582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03954	2.2
65.03942	2.2
71.03866	1.4
73.08511	1.2
77.03960	0.8
79.05501	5.7
84.48502	0.6
88.59998	0.6
91.05490	97.5
92.05809	1.0
93.07038	5.0
95.04987	2.0
96.05312	0.9
103.05473	11.3
104.06264	9.5
105.04527	0.8
109.06535	1.1
115.05477	4.7
117.07032	39.2
119.04980	2.6
119.06171	4.6
119.08593	100.0
120.05601	0.8
120.08888	1.0
126.71659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31277	0.8
53.03955	6.2
55.05507	3.8
56.05027	0.7
58.06584	2.1
59.05011	4.8
59.05243	1.0
59.07369	2.5
59.93086	1.1
65.03942	2.6
65.08345	0.8
71.17365	1.5
72.08159	24.9
76.93375	12.5
77.03905	0.9
87.49994	0.7
90.03766	1.5
91.05483	35.2
94.94416	2.7
95.04961	4.6
101.06011	6.2
105.04517	2.0
109.28152	0.8
117.05746	2.3
117.95989	2.1
118.06548	100.0
118.08645	11.0
119.04945	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	118.0866
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
51.95009	0.3
53.03944	0.6
55.05516	16.4
57.05823	1.0
58.06600	4.8
59.05006	12.2
59.07387	5.3
69.03448	0.7
70.69757	0.9
72.08160	100.0
73.08501	0.6
86.06080	0.8
101.06021	14.9
118.08665	20.5
129.71028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39288	2.7
58.04136	2.8
64.73444	3.1
69.03428	10.1
70.55061	8.6
70.55403	2.7
78.52969	4.1
82.01451	6.8
82.99851	5.0
83.01519	3.8
91.05477	8.5
93.53472	4.0
95.95055	3.2
100.02491	21.4
101.00881	42.6
101.02554	3.9
107.05274	5.3
107.53220	4.7
116.05783	6.3
119.01929	100.0
137.02982	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.95917	0.5
57.87684	0.6
61.84272	0.6
65.03944	13.0
71.02927	1.8
91.05483	100.0
119.04946	51.9
119.08614	2.2
127.48766	0.7
137.77711	0.6
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	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03937	2.2
58.76717	0.5
61.47829	0.4
65.03932	2.1
65.04259	0.5
67.05478	0.5
68.12232	0.4
69.55194	2.7
73.83521	0.5
74.06817	0.5
78.04715	1.0
79.05507	5.1
80.61353	0.5
91.05487	63.4
93.07068	4.3
95.04943	1.4
103.05476	6.0
104.06259	7.3
104.81149	0.5
115.05457	2.7
117.07030	14.3
119.04984	2.5
119.06120	1.6
119.08588	100.0
120.08906	0.8
136.86475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0758
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.03952	1.7
55.01878	24.4
55.05515	11.3
56.96577	0.9
57.03448	3.0
59.05006	25.8
67.05505	2.9
68.39837	0.7
69.03440	10.1
69.07074	100.0
70.06599	13.7
70.07426	1.2
70.37110	2.6
71.01366	0.8
72.04517	1.1
72.93792	1.9
73.02923	1.9
73.06563	53.0
73.93851	0.8
74.93837	5.7
79.05499	2.8
83.01347	1.1
85.02907	1.2
87.00831	4.0
87.04476	40.0
88.07618	0.8
92.94882	2.6
96.87342	0.6
97.02898	4.7
97.06538	18.0
97.08443	0.9
98.03210	3.0
115.03941	29.3
115.05270	1.1
115.05917	0.9
115.07597	6.4
115.08759	1.3
115.09489	5.8
116.07075	2.1
116.97321	0.6
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
50.71056	0.5
53.03936	2.0
53.23977	0.5
55.05500	2.3
58.06599	1.3
59.05011	3.8
59.07370	1.4
59.93105	0.8
65.03932	0.8
68.11292	0.7
71.17343	1.1
72.08160	14.6
73.02900	0.7
76.93374	7.6
76.95721	0.5
82.33309	0.5
90.03764	0.6
91.05484	30.5
94.94402	2.0
95.04971	1.7
101.06020	3.9
105.04495	0.8
106.32493	0.6
117.05775	2.4
117.96054	1.2
118.06549	100.0
118.08629	6.2
119.04970	2.8
119.06912	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.05497	6.2
57.03432	6.9
57.07078	57.8
59.87650	1.7
65.03925	4.9
67.01864	4.6
67.05508	84.8
69.03417	5.3
69.07075	4.2
69.90460	6.0
70.02946	7.9
70.06588	4.5
71.01377	2.0
71.04991	24.4
71.94094	6.5
72.93784	5.5
73.66784	1.8
80.99600	1.8
85.02894	2.0
85.06546	36.9
89.00262	6.2
89.50354	4.6
90.00132	15.4
95.01337	4.0
95.04969	39.3
95.08620	5.1
96.00844	6.7
96.04505	2.5
96.08142	2.1
96.72970	1.6
97.02900	5.1
98.00793	6.3
98.20775	3.4
98.50886	7.7
99.00648	11.6
101.50931	2.2
113.02372	100.0
113.03509	16.1
113.06004	41.8
113.07175	2.3
113.07941	4.7
113.10847	3.2
113.11591	7.9
114.05526	6.1
114.09160	4.8
117.95956	1.8
119.95760	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	115.0394
Annotation	CHEBI:87123
Peak:m/z	Relative Intensity
55.01875	100.0
59.01056	0.4
59.01363	1.6
59.04993	3.4
69.03429	0.9
69.07070	1.3
69.72120	1.6
70.06602	0.8
70.35917	0.4
73.02921	0.6
73.06555	1.0
74.93866	0.9
87.04473	69.7
88.04830	0.4
94.82295	0.5
97.02929	0.5
97.06547	0.7
115.03935	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	115.0394
Annotation	CHEBI:87123
Peak:m/z	Relative Intensity
53.55132	0.4
55.01877	100.0
55.05516	1.1
56.02206	0.7
56.96553	0.5
59.01367	1.5
59.05008	7.5
61.03009	0.4
68.05045	0.4
69.03448	2.7
69.05379	1.5
69.07074	3.7
70.06601	1.7
70.75414	0.5
70.75755	1.1
73.06563	1.1
74.93832	1.6
83.01315	0.4
87.00841	1.1
87.04475	77.3
96.43373	0.4
97.02903	0.9
97.06524	0.9
115.03941	31.2
115.07610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01592	0.9
51.02378	1.9
52.02716	1.0
53.03948	70.8
55.01864	2.2
55.05514	4.4
65.03934	2.7
67.05505	50.6
68.51489	0.8
69.07059	1.9
70.90639	1.4
70.90980	1.1
74.00094	0.8
74.01712	0.9
74.99840	1.6
79.05502	7.5
81.03419	100.0
81.07057	21.9
86.00700	2.7
86.50633	5.1
87.00468	4.0
91.05466	2.0
94.04182	1.9
94.06176	1.0
98.12292	1.0
107.08589	1.9
109.02881	37.2
109.06514	23.6
109.07659	1.8
109.08469	1.3
109.10160	27.9
110.06038	4.2
113.96365	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03952	4.4
55.01883	4.2
55.05503	1.7
65.03954	2.1
66.04715	0.7
66.10180	0.3
67.05514	16.4
69.07069	1.2
70.56938	1.1
70.57291	0.4
77.50131	0.5
79.05500	28.1
81.03425	1.8
81.07063	30.9
86.00727	0.6
86.50658	2.1
87.00467	1.4
91.05489	9.7
94.04198	2.1
98.21436	0.4
98.36513	0.4
107.04946	0.5
107.08559	0.6
109.06528	100.0
109.10166	10.7
110.06863	0.7
113.96421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0605
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
53.03947	0.5
54.04277	0.7
55.01868	0.4
55.05513	0.9
56.05021	0.3
65.03614	0.5
65.03944	8.0
67.04247	1.2
67.05503	0.6
68.05022	0.8
68.05845	0.5
68.99762	0.3
69.03471	0.3
69.56297	0.2
70.38402	0.5
72.40614	0.2
74.99832	0.3
77.99951	0.5
80.05024	1.8
81.03403	0.5
82.03754	1.7
82.04168	0.4
82.05331	0.2
82.06133	0.3
82.06587	4.9
82.07352	0.3
83.04983	0.7
83.06108	1.9
86.50617	0.9
87.00463	2.8
88.00484	1.1
92.05011	29.3
93.03410	2.6
93.04548	0.7
93.05799	0.9
95.03720	1.0
97.01009	0.6
109.05278	0.3
110.03725	2.5
110.06049	100.0
110.07242	2.9
111.04444	4.8
111.05579	1.4
111.06298	0.4
111.08075	0.4
111.09198	0.6
113.96413	0.6
115.96442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.05513	10.9
55.05788	0.6
55.79877	0.3
56.05025	0.6
58.06607	3.2
69.03442	0.4
69.85069	1.7
70.06207	0.4
70.06596	6.5
71.02967	0.9
82.01437	0.4
84.08146	38.9
88.50632	0.4
89.00274	3.3
89.11884	0.4
95.06078	1.9
98.00781	0.8
104.70546	0.3
112.07625	1.1
112.11246	100.0
113.02399	0.5
113.11584	0.9
117.95974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01599	0.6
51.02387	0.7
53.03947	5.4
55.01873	0.5
58.70596	0.4
59.88404	0.4
62.99078	2.8
65.00625	0.4
69.54046	2.3
74.57560	0.5
77.03940	1.5
79.05495	100.0
80.05833	0.7
91.05485	4.8
95.04970	5.1
105.04527	2.9
105.07020	1.5
107.04961	21.0
107.06857	1.1
107.08598	2.5
108.08138	1.4
109.06525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03942	1.1
55.01876	1.0
62.99072	2.2
65.03619	0.9
65.03947	12.3
67.05501	2.4
71.02570	1.5
75.31664	0.8
79.05499	17.6
82.48290	0.8
91.05489	100.0
92.06274	3.4
95.04995	1.4
105.07040	38.2
106.04174	2.4
107.04973	11.9
107.08604	58.3
109.06532	11.6
119.06086	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03951	3.4
55.01880	1.4
62.99074	3.2
63.03015	0.6
65.03944	10.3
67.05520	3.5
70.14046	2.7
79.05024	0.9
79.05495	27.0
91.05485	100.0
91.36448	0.6
92.06244	1.6
95.04980	3.9
99.88028	0.6
103.05522	0.7
105.04524	2.2
105.07035	32.1
106.04167	0.8
107.04961	23.3
107.08599	47.0
108.08111	1.1
109.06520	11.9
119.06067	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01883	1.2
62.99078	2.8
65.03948	12.1
67.05514	3.3
70.87145	0.8
72.48179	0.3
76.61621	0.4
77.03948	0.5
78.29365	0.3
79.05502	19.6
91.05488	100.0
92.05820	0.7
92.06274	2.5
95.04979	3.0
103.05447	0.5
105.04623	0.8
105.07040	36.0
106.04182	1.5
107.01681	0.5
107.04965	14.3
107.08601	58.9
108.08157	0.5
108.08929	0.6
109.05801	0.8
109.06531	14.8
109.07278	0.9
109.26003	0.3
119.06078	12.8
124.05219	1.2
124.77542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03921	1.7
79.05494	55.3
81.03414	13.2
81.07056	83.7
83.04978	13.2
83.08620	17.0
85.02902	8.3
85.06519	3.6
86.09695	4.1
91.03958	1.6
91.05479	51.6
92.05808	1.5
93.07041	45.6
95.01340	1.8
95.04974	26.8
95.08605	26.3
97.02886	3.4
97.06547	9.1
97.10169	24.1
99.04445	3.0
99.08073	2.7
103.05456	2.7
105.04490	1.8
105.07026	34.4
107.04961	23.7
107.08601	30.4
109.02837	1.2
109.06525	15.6
109.10150	16.8
111.04442	13.1
111.08083	8.4
115.05437	4.1
116.06264	1.6
117.01075	1.6
117.06228	1.8
117.07014	20.6
119.04953	2.8
119.06159	1.0
119.08581	38.3
120.08952	1.0
121.06499	12.3
121.10143	21.7
123.04414	1.7
123.08064	26.7
123.11677	2.0
125.06000	1.4
125.09634	21.4
128.06227	2.6
129.01047	1.3
129.07005	14.5
130.07767	2.0
131.04904	1.8
131.08572	23.9
133.00533	1.4
133.06485	6.4
133.10127	16.9
135.08041	10.6
135.11702	12.2
137.09651	7.9
139.07518	1.6
141.06924	2.6
141.10252	1.3
142.07753	1.9
143.08572	10.6
145.06473	4.0
145.10123	29.3
145.11285	1.5
146.07242	1.4
147.08035	18.0
147.11687	9.7
149.09634	17.1
149.13251	2.4
151.07497	1.3
153.09100	3.5
153.12762	4.9
154.07719	1.2
155.08485	5.5
157.06528	1.6
157.10117	11.5
159.08061	5.6
159.11714	8.1
161.09615	16.4
161.13216	2.4
163.11194	27.8
165.09090	6.1
165.12724	3.1
167.08546	1.4
169.10045	3.2
171.08083	1.7
171.10141	2.8
171.11697	10.2
173.09596	6.0
173.13229	2.6
175.11134	9.3
177.12750	2.9
179.10693	1.1
179.14417	1.3
181.10106	1.9
181.12257	6.6
183.11682	2.6
185.09573	1.4
185.13268	4.8
187.11140	1.7
189.11220	14.2
189.12724	2.1
191.10638	7.1
191.14316	1.8
193.12227	4.8
195.11766	1.9
197.07275	3.5
197.13051	1.4
199.11156	3.3
199.14879	1.6
201.16368	1.2
203.14317	2.1
205.12195	1.8
213.12827	1.9
216.12743	1.1
223.13354	6.0
227.12778	19.4
227.17888	5.2
231.13718	1.2
231.17461	1.3
245.13866	1.4
245.19034	7.6
249.14676	2.3
255.17467	6.8
263.19977	1.7
267.16064	1.8
271.16898	1.2
273.18491	62.9
275.20123	4.3
283.15488	6.6
291.19543	100.0
309.16248	6.0
309.20648	11.6
311.19861	1.3
327.17218	2.2
329.21106	1.5
330.21365	1.1
347.22180	28.4
349.23746	2.0
365.23215	61.5
366.23495	1.4
377.76001	1.2
383.19745	29.8
383.24310	24.7
393.28082	1.1
401.20901	50.9
402.21115	1.4
453.69730	1.3
545.36151	1.7
553.29059	1.9
563.37378	2.0
571.30145	2.1
609.31805	2.2
619.39563	4.6
627.32690	1.9
631.33380	1.2
637.40967	19.1
638.41345	1.6
655.42737	17.1
673.38397	53.4
691.39685	67.9
692.38702	2.5
709.40735	43.7
1052.20435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.6008
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02900	1.5
74.78886	1.3
79.05495	67.5
81.03420	11.8
81.07058	100.0
83.04988	13.5
83.06053	1.6
83.08623	23.2
84.08147	3.3
85.02892	9.6
85.06557	4.3
86.09701	3.5
91.03961	2.1
91.05480	49.8
93.07048	52.9
95.04964	19.2
95.07996	1.7
95.08605	27.8
97.02879	5.0
97.06532	13.4
97.10172	26.5
99.04424	2.4
99.08112	4.2
103.05468	2.2
105.04522	2.7
105.07036	39.9
107.04950	17.2
107.08597	43.1
109.02881	2.4
109.06516	15.4
109.09515	1.0
109.10162	32.8
111.04457	14.1
111.08093	11.3
115.05482	3.2
117.07012	18.3
119.08582	39.5
121.06514	10.3
121.10142	23.7
123.04388	1.9
123.08061	24.8
123.11712	4.4
125.05999	1.5
125.09629	25.0
127.03908	3.3
128.06233	2.9
129.05504	1.7
129.06966	8.4
129.10210	1.5
130.07788	2.5
131.08574	26.3
133.06506	4.0
133.10136	22.4
135.04306	1.4
135.08072	11.2
135.11688	15.4
137.09642	10.3
139.07625	1.5
141.06982	1.9
141.09225	2.0
143.08577	8.0
143.10701	2.3
145.06520	3.6
145.10123	24.9
147.08060	12.1
147.11687	15.8
149.09593	12.5
149.13277	8.2
151.11201	3.7
152.05911	1.4
153.09119	4.5
153.12781	5.9
155.08549	3.6
155.10695	2.3
157.10133	10.4
159.08069	3.5
159.11684	14.3
161.09659	10.5
161.13280	4.6
161.35043	1.4
163.06085	1.5
163.11172	28.5
165.09103	5.2
165.12764	2.8
169.10172	4.5
171.10330	3.4
171.11720	6.9
173.09627	4.7
173.11751	5.0
173.13281	5.4
175.11163	9.3
177.12788	4.1
181.12175	10.2
183.11707	3.0
185.09517	1.6
185.13248	3.8
187.11223	3.9
187.14806	2.0
189.11206	16.6
189.12767	2.0
191.10713	5.4
191.14368	2.5
193.12254	7.2
195.11807	1.9
195.13762	2.9
197.13301	3.2
199.14758	2.3
199.66350	1.4
201.12601	1.9
201.16373	1.6
205.12300	2.7
213.16345	1.8
219.13832	1.6
223.13319	5.3
227.12753	27.7
227.17924	2.3
229.14301	19.3
231.13635	1.5
239.17917	2.0
245.19054	5.1
249.14795	2.8
252.67383	1.4
255.17636	2.1
257.18985	4.9
267.15787	3.8
269.17487	28.3
269.34604	1.5
273.18527	36.2
275.20062	37.7
283.15286	6.7
291.19537	72.1
293.21146	5.5
309.20499	10.1
329.20966	2.0
347.22217	16.1
349.19800	2.6
349.23761	37.0
365.23239	67.3
367.24817	19.4
373.18826	1.6
374.11853	1.3
383.24268	23.9
384.24982	1.4
413.21695	3.9
439.26816	5.6
465.97610	1.6
479.30212	1.6
485.32556	2.7
501.32126	6.8
519.33179	48.4
520.33398	1.7
535.32245	2.7
537.34308	25.5
541.35315	19.6
559.36328	83.4
560.36462	2.3
565.38538	2.1
577.37354	43.1
599.39020	3.2
621.41644	17.3
639.42590	66.9
640.43188	2.7
657.43671	63.7
658.43512	2.8
663.36926	4.2
675.44775	25.9
681.38306	2.6
685.38788	2.6
703.40485	6.9
721.41754	6.9
819.48596	1.7
836.66345	1.6
1053.33936	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	0.7
53.03948	8.0
71.02501	0.9
77.03925	2.7
77.07887	0.4
77.34137	0.4
79.05497	35.7
95.04973	7.0
103.05473	27.1
105.04572	3.7
105.07036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02896	0.6
77.03946	1.8
79.05492	60.5
80.05859	0.6
81.03419	14.5
81.07056	96.3
82.07392	0.9
83.04983	19.8
83.08617	20.5
85.02908	7.1
85.06552	3.0
86.09696	0.9
87.09281	0.6
91.03956	1.3
91.05480	43.0
93.07044	41.6
94.04215	1.0
95.01299	0.9
95.04366	1.2
95.04971	23.9
95.07983	1.0
95.08607	24.9
97.02896	3.3
97.06528	10.3
97.10168	32.3
98.20860	0.8
99.04437	3.2
99.08073	3.3
101.06022	0.7
101.09673	0.6
103.05461	2.0
105.03400	1.1
105.04520	1.9
105.07029	34.0
107.04221	0.8
107.04957	22.3
107.08593	29.9
109.02869	1.0
109.06519	16.2
109.10158	16.2
111.04446	18.7
111.08081	10.6
113.05994	0.7
115.05472	4.3
116.06239	1.2
117.07021	22.3
119.04961	1.7
119.08582	36.5
121.06505	13.0
121.10142	18.7
123.04431	1.8
123.08070	29.9
123.11724	1.1
125.05981	2.3
125.09626	28.7
127.03922	1.0
128.06209	3.8
129.07007	12.8
130.07788	1.9
131.04956	1.8
131.07587	1.1
131.08577	20.4
132.05702	0.8
133.06500	6.5
133.10130	15.7
135.07184	0.4
135.08052	13.6
135.11702	13.7
137.09622	9.2
139.07552	1.1
139.11166	2.9
140.88957	0.6
141.06995	2.5
142.07791	1.9
143.08554	9.5
144.09380	0.7
145.06470	4.4
145.10123	25.6
146.07341	0.8
147.08041	16.6
147.11696	9.7
149.06044	1.0
149.09628	13.3
149.13268	2.6
151.07571	1.0
151.11171	1.7
153.09123	6.1
153.12715	7.8
154.07651	0.6
155.08511	4.6
157.06494	1.8
157.10135	10.9
159.08064	5.0
159.11682	10.3
160.08893	0.6
161.09618	16.2
161.13277	2.0
163.07561	1.1
163.11174	26.7
165.09100	6.7
165.12752	2.1
167.08582	1.6
167.10661	1.1
169.10150	2.9
171.08061	1.4
171.10173	3.1
171.11696	5.9
173.09586	6.4
173.11862	1.0
173.13271	2.6
175.11182	8.9
175.14758	0.7
177.09137	0.8
177.12729	2.7
179.08456	0.6
179.10715	1.7
181.10123	1.2
181.12242	10.9
183.11693	2.2
185.09654	2.6
185.13248	4.1
187.11217	2.6
187.14845	0.7
189.09291	1.1
189.11221	19.3
189.12769	2.5
191.10666	7.3
193.12228	6.1
195.11697	1.7
197.13327	1.3
199.11197	2.4
199.14861	1.8
201.12865	0.9
203.10722	1.0
203.14293	1.9
205.12265	1.8
207.13809	1.1
209.11731	2.5
209.13416	1.0
211.11290	0.6
211.13202	1.3
211.14940	1.0
213.12776	1.9
213.16455	1.3
215.14287	0.7
217.12137	0.9
217.19551	0.9
219.13773	0.8
223.13217	5.8
227.12747	24.4
227.14891	1.4
227.17787	2.7
228.13052	0.7
229.12187	0.7
231.13806	1.5
231.17436	1.7
237.16380	2.0
243.17464	0.8
245.13834	1.8
245.19023	5.3
249.14851	3.9
255.17476	6.5
263.20105	2.3
267.15875	1.6
271.16818	0.8
273.18497	61.0
274.18918	0.8
274.27435	1.0
275.20120	1.3
283.15344	5.3
289.17908	1.5
291.19540	100.0
292.19867	2.5
309.20599	16.3
329.21112	2.6
337.23822	0.7
347.22177	28.1
349.23926	1.3
363.21597	0.8
365.23227	82.7
366.23486	1.0
367.24799	0.7
383.24277	46.1
384.24713	1.3
393.28027	0.7
411.29068	0.7
461.29388	0.8
501.31567	0.6
513.32715	0.8
517.31427	2.2
527.34454	1.4
529.34784	1.8
531.33197	1.4
535.32556	5.6
539.33728	1.6
541.34790	0.9
545.35895	1.1
555.33209	0.8
557.34912	3.2
563.37012	2.8
569.34644	1.2
573.34009	2.4
575.35803	1.7
581.38660	2.9
591.34454	2.9
599.39240	2.6
609.41327	0.8
619.39905	5.6
627.42914	1.0
637.41034	35.2
638.41083	1.9
655.42047	73.6
656.42407	3.3
673.43109	55.6
674.43274	2.5
691.44110	24.3
692.44556	0.9
799.45496	0.8
817.47626	1.2
1055.61267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03954	9.2
61.52266	0.4
63.09462	0.4
69.83846	1.0
69.84233	1.0
77.03931	2.4
79.05500	34.6
89.90629	0.4
95.04979	8.7
97.50941	0.5
98.20731	0.5
99.63905	0.4
103.05478	28.8
105.04552	4.3
105.07039	100.0
106.07378	0.6
120.69751	0.4
121.12981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02933	1.0
77.03920	1.0
77.08764	0.6
79.05491	40.4
81.03416	10.8
81.07052	62.7
83.04977	12.5
83.08615	14.8
84.08138	0.8
84.50150	0.7
85.02914	5.4
85.06538	2.2
86.09706	1.5
87.04519	0.7
91.03956	1.8
91.05477	31.4
93.07038	31.0
95.01407	0.6
95.04964	16.2
95.08601	16.6
97.02907	4.1
97.06531	7.6
97.10167	22.5
99.00830	1.8
99.04469	2.5
99.08093	1.9
103.05466	2.2
105.03400	0.7
105.04517	1.8
105.07031	25.3
107.04954	15.5
107.08591	22.7
109.02900	3.8
109.06513	12.6
109.10150	11.4
110.07166	1.1
111.04436	11.9
111.08090	8.8
115.03928	1.2
115.05466	3.0
117.07015	16.2
119.04935	1.7
119.06176	0.6
119.08575	24.4
120.08128	0.9
121.06496	8.8
121.07290	1.0
121.10140	11.3
123.04430	3.7
123.08066	18.2
123.11716	1.3
125.06024	1.3
125.09621	20.6
127.03927	0.9
128.06223	2.8
129.06998	6.3
130.07788	1.0
131.04939	1.3
131.08569	12.2
132.05742	0.7
133.06482	4.9
133.10130	17.3
135.04431	1.0
135.08054	14.5
135.09009	1.1
135.11682	11.0
137.05957	0.8
137.09634	6.8
139.07541	1.4
139.11183	0.8
141.06989	1.7
142.07834	0.9
143.08557	7.5
145.06502	4.0
145.10107	14.1
147.08049	12.1
147.11697	5.8
149.06027	1.3
149.09625	9.1
149.13304	1.3
151.07567	0.8
151.11206	2.3
153.09108	3.7
153.12747	5.3
155.08568	2.7
157.10103	5.6
159.08055	5.7
159.11690	5.0
161.06024	1.1
161.09612	12.1
161.13274	1.5
163.06195	1.2
163.07503	5.0
163.11179	18.3
165.09105	5.7
165.12782	1.1
166.09770	0.7
167.08536	1.2
169.10211	2.3
171.08080	2.5
171.10191	1.9
171.11726	3.8
173.09608	6.1
173.13281	1.4
175.11183	7.0
175.14780	0.8
177.09189	1.2
177.12778	2.8
179.10715	2.3
181.10016	0.8
181.10666	0.8
181.12236	7.9
183.11652	1.4
185.09669	1.5
185.13373	1.6
187.11153	1.5
187.14772	0.8
189.09224	1.8
189.11203	14.0
189.12704	1.2
191.10680	4.8
193.10448	0.9
193.12245	16.9
195.11699	0.8
199.11288	1.1
199.14769	0.9
201.12755	0.7
203.10794	1.0
203.14458	1.0
205.12265	1.7
209.11676	1.5
211.13278	1.8
217.15849	0.7
219.13786	0.8
223.13231	4.3
227.12755	17.6
227.18030	2.0
237.16512	0.9
239.12802	0.8
243.17442	2.1
245.13783	1.3
245.18907	4.1
249.14917	2.3
255.17506	3.1
261.18625	1.8
263.20111	0.9
267.15900	0.8
270.49655	0.6
271.16864	4.3
273.18481	31.1
274.18970	0.8
275.20087	1.0
283.15381	6.9
289.17966	15.8
289.20883	1.1
291.19525	59.4
292.19788	0.9
307.19012	6.1
309.20541	8.8
329.21124	1.8
347.22141	12.6
363.21616	9.7
365.23224	44.4
366.23917	0.7
381.22708	77.7
382.23306	1.4
383.24268	22.9
391.26334	0.9
461.29169	0.8
527.34210	0.9
529.31641	1.5
533.30884	3.2
535.32422	1.2
547.32983	1.0
551.32153	1.9
555.32953	3.5
557.34833	1.5
561.35352	1.4
573.34174	8.6
579.36731	2.6
589.33545	3.1
591.35083	1.2
597.37714	3.1
607.34778	2.6
625.40918	1.1
635.39349	8.8
643.42126	1.1
653.40479	37.3
654.41193	1.2
671.41510	100.0
672.41803	2.7
689.42529	67.8
690.42859	1.8
797.43726	0.8
833.46942	1.1
875.38269	0.7
1006.83130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
53.95985	0.1
57.16515	0.1
58.06604	3.3
59.07382	0.9
60.08165	34.4
61.88626	0.1
65.43362	0.1
69.03428	0.7
70.53319	0.4
70.53675	0.2
74.86835	0.2
79.56705	0.1
82.73359	0.1
86.06069	0.3
87.04470	2.0
89.61997	0.1
96.89324	0.1
98.20720	0.1
98.48772	0.2
104.10745	100.0
105.11078	0.5
113.98577	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	1036.6062
Annotation	Unknow
Peak:m/z	Relative Intensity
72.51476	1.6
73.02924	1.5
79.05494	65.9
81.03423	9.0
81.07059	95.1
83.04979	17.8
83.08150	2.8
83.08621	40.2
83.09119	2.0
85.02895	8.9
85.06534	6.3
86.09703	2.1
91.04910	3.0
91.05485	63.8
93.07048	72.9
95.04974	75.8
95.08603	42.6
97.02888	5.8
97.06539	16.8
97.10183	19.8
99.04454	5.8
99.08079	5.2
103.05513	2.0
105.06316	2.9
105.07031	57.3
107.04946	17.6
107.08598	64.8
109.02827	1.7
109.06521	15.2
109.10159	41.5
111.04450	12.2
111.08072	11.3
113.09650	2.3
115.05441	2.9
117.07017	21.2
119.08580	45.4
121.06516	9.4
121.10148	34.0
123.08064	10.7
123.11686	10.3
125.09619	17.2
128.06258	2.2
129.07033	9.0
130.07774	2.6
131.08572	32.0
133.06502	4.5
133.10138	40.8
135.08057	10.8
135.11696	21.6
137.09622	5.8
139.11200	2.9
141.07014	4.5
143.08582	7.4
145.06482	3.1
145.09062	2.7
145.10141	38.4
147.08064	7.8
147.11694	22.8
149.09636	40.1
149.13269	16.5
151.11163	7.1
153.09126	2.1
155.08507	2.2
155.10562	2.1
157.10143	8.4
159.11708	21.6
161.09607	4.9
161.13255	6.3
163.11182	42.0
163.14836	2.0
165.12746	5.8
167.36584	1.4
169.10144	6.8
169.75089	1.8
171.11711	6.1
173.09622	3.5
173.11748	8.0
173.13289	7.3
175.11197	4.0
175.14868	2.4
177.12772	5.6
181.10213	2.4
181.12166	2.5
183.11766	4.8
185.13277	2.0
187.11220	4.5
187.14864	2.5
189.11270	9.3
193.12291	2.5
195.11835	2.2
195.13835	5.1
197.13292	4.5
199.14780	2.1
201.12807	3.4
201.16455	1.6
203.14392	2.1
205.12262	7.7
207.13872	1.8
211.13193	2.4
212.28078	1.6
215.18018	2.8
217.15881	3.1
223.13297	35.1
227.12701	8.2
229.14320	26.2
229.19482	6.9
239.18019	6.6
245.13806	1.8
247.20503	3.6
251.16545	1.8
257.19012	17.8
269.17484	39.8
273.18610	1.8
275.20065	95.1
291.19571	2.0
293.21115	41.3
311.22180	1.9
331.22641	6.4
349.23740	75.9
350.24295	2.0
363.00714	1.7
367.24823	99.6
368.25244	1.7
413.21686	3.4
423.27512	3.5
463.30487	6.0
503.33871	13.7
521.34796	44.9
525.35822	6.2
529.35480	2.2
537.34052	1.8
539.35303	3.3
543.36798	43.1
561.37885	100.0
583.39850	2.5
585.38287	1.9
601.40149	2.4
623.43036	40.7
641.44147	83.6
642.44226	2.1
646.11597	1.5
647.38812	2.1
659.45209	40.9
665.38776	5.2
687.41052	4.9
705.42072	10.0
731.46765	1.8
785.48999	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	1034.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
76.27959	1.5
79.05493	68.2
81.03414	15.9
81.07060	100.0
83.04982	19.9
83.08160	3.5
83.08622	45.5
85.02902	10.4
85.06540	4.6
86.09699	4.3
91.03942	3.0
91.05485	75.1
93.07046	60.6
95.01302	2.0
95.04972	41.7
95.08610	42.2
97.02893	6.9
97.06530	16.7
97.10175	25.0
98.76328	1.4
99.04450	4.1
102.56055	1.4
103.05457	4.0
105.04514	2.8
105.07036	58.6
107.04964	30.2
107.08598	48.1
109.06529	18.3
109.10159	22.6
111.04446	14.7
111.08073	14.9
113.05939	1.9
115.05463	4.8
117.06232	2.4
117.07015	28.4
119.04943	2.1
119.08586	52.6
120.08119	2.0
121.06490	15.4
121.10141	27.0
123.04404	3.6
123.08079	24.1
123.11710	4.7
125.05952	2.6
125.09641	22.5
128.06239	3.6
129.07033	13.8
130.07806	2.4
131.04999	1.5
131.08574	34.2
133.06483	5.8
133.10136	36.4
135.08061	16.1
135.11713	18.8
137.09612	10.6
139.11174	4.9
141.06992	3.2
141.10175	2.3
142.07764	2.5
143.08574	12.6
145.06467	4.6
145.10121	37.3
146.10414	2.5
147.08070	11.9
147.11705	20.2
148.41989	1.7
149.09610	33.3
149.13251	5.1
151.07469	2.6
151.11185	7.2
153.09071	2.3
153.12747	5.2
155.08521	5.7
157.10124	11.7
159.08008	4.4
159.11697	19.0
161.09647	12.9
161.13252	4.8
163.11186	44.4
165.09138	2.9
165.12813	7.9
169.10063	5.0
169.13417	2.1
171.11650	8.5
173.09630	8.1
173.13229	7.8
175.11168	8.2
177.12729	5.0
181.12210	5.9
183.11661	5.1
185.09576	2.5
185.13249	4.0
187.11157	4.3
187.14691	2.0
189.11198	12.4
189.12698	2.5
191.10652	4.7
191.14285	2.8
193.12271	4.9
197.13219	5.8
199.11214	2.1
201.12756	3.0
205.12144	3.8
209.11693	2.1
213.16391	1.6
215.17989	2.0
217.15933	2.5
221.68941	1.5
223.13237	12.0
227.12756	12.6
227.17950	3.4
229.14322	2.3
229.19505	3.3
239.17976	6.5
245.19006	5.1
247.20570	3.4
253.14360	2.4
255.17459	4.6
257.18948	11.2
267.15833	1.8
273.18488	38.9
273.21289	2.9
275.20068	66.2
276.20435	1.8
277.21790	1.9
283.15372	2.9
285.16916	3.0
291.19553	50.3
292.19922	1.9
293.21118	15.3
309.20474	6.2
329.21210	2.7
337.23770	1.5
347.22186	22.3
349.23746	68.7
350.24112	2.7
365.23257	61.0
367.24829	56.8
383.24289	29.5
437.30167	1.7
472.45789	1.6
519.33197	5.5
529.35193	2.5
541.34955	2.0
543.36700	2.3
557.34827	1.9
559.36365	12.0
561.37604	2.5
565.38629	2.1
566.68304	1.6
577.36987	6.3
583.39496	2.0
621.41394	19.4
623.43683	1.9
639.42566	99.6
640.42310	3.1
657.43622	96.2
658.44287	2.7
675.44708	63.4
676.44611	2.2
690.27411	2.0
1031.79163	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	1034.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02894	0.8
77.03920	1.3
78.04688	0.6
78.51239	0.7
79.05495	55.5
81.03420	15.2
81.07055	76.5
83.04984	19.4
83.08619	37.2
83.09122	1.3
85.02900	7.9
85.06539	4.1
86.09674	0.7
91.03953	1.3
91.05479	48.5
93.07043	47.7
94.04153	0.8
95.01331	1.2
95.04968	64.3
95.08606	33.6
97.02875	2.5
97.06531	11.8
97.10168	28.7
99.04465	6.3
99.08092	2.9
101.09624	0.7
103.05495	1.4
105.03344	0.8
105.04541	1.8
105.06303	1.1
105.07033	38.5
107.04954	25.1
107.08593	42.0
109.06512	13.3
109.10157	18.1
111.04443	20.6
111.05212	0.8
111.08085	12.9
113.05964	0.7
113.09661	0.8
115.05447	3.4
116.06213	1.0
117.07011	20.8
119.04958	1.6
119.08580	36.7
120.08903	1.0
121.06506	11.5
121.10146	25.2
123.04468	1.3
123.08066	22.2
123.11729	3.3
125.06017	2.2
125.09634	28.2
127.03983	0.8
128.06248	2.4
129.05493	1.3
129.07004	10.3
130.07817	2.1
131.04964	1.1
131.08571	23.4
133.06471	4.1
133.10126	23.7
135.08055	11.7
135.11694	18.6
135.12724	1.1
137.06015	0.8
137.09604	7.6
139.11183	2.7
141.07010	2.3
141.09140	0.9
142.07806	2.1
143.08566	8.8
145.06506	4.3
145.10126	32.1
147.08054	13.1
147.11682	16.3
149.09624	32.0
149.13266	3.5
151.07555	0.9
151.11185	3.7
153.09174	4.1
153.12741	6.2
155.08548	4.1
157.06482	0.6
157.10117	9.2
159.08104	3.3
159.11702	12.8
161.09622	11.3
161.13206	4.2
163.11179	46.0
165.09145	4.9
165.12764	6.0
167.10712	1.5
169.10095	5.6
171.08159	0.7
171.10173	2.5
171.11719	6.3
173.09613	6.3
173.11879	1.3
173.13255	5.2
175.11169	8.4
175.14865	1.2
177.12733	7.3
179.10728	1.3
181.10274	1.0
181.12241	7.8
183.11618	3.6
185.09673	1.3
185.11856	0.8
185.13222	3.7
187.11148	5.6
187.14902	1.8
189.11217	17.6
189.12788	2.8
189.16499	0.6
191.10614	5.0
191.14333	1.7
193.12260	4.0
195.11755	1.7
197.13300	1.8
199.11237	1.2
199.14801	0.9
201.12767	2.2
203.10674	0.8
203.14328	0.7
205.12262	6.1
207.13930	1.5
209.11783	2.0
211.13297	2.0
211.15002	0.9
213.16447	1.8
215.14217	1.2
215.17938	1.1
219.13805	0.9
223.13286	36.4
227.12764	20.0
227.14877	1.0
227.17848	3.3
229.19524	2.8
231.13860	1.2
231.17506	1.1
237.14601	1.1
237.16643	1.0
239.17921	4.6
245.13794	1.6
245.18994	3.7
247.20677	2.2
249.14880	1.9
255.17578	4.0
257.19031	5.7
263.20084	0.9
267.15933	1.0
269.17368	0.8
273.18497	34.1
275.20062	49.8
276.20407	0.8
283.15335	5.2
291.19543	61.1
293.21112	36.9
309.20447	6.5
311.22342	1.5
329.21115	1.4
331.22610	1.1
347.22165	20.5
349.23737	34.4
365.23236	58.5
367.24796	73.1
368.25137	0.8
383.24280	24.1
383.29156	1.4
519.33240	2.9
529.35413	1.2
537.34296	2.4
543.37195	0.8
547.37872	0.9
559.36328	1.9
565.39252	2.0
569.34363	0.8
571.36670	1.0
575.36047	1.9
577.37885	0.9
583.39777	1.4
593.36951	2.7
621.41498	15.1
630.35712	0.7
639.42542	73.1
640.43274	1.9
657.43604	100.0
658.43964	2.4
675.44653	51.2
676.45062	1.2
783.45477	0.8
832.68274	0.8
1074.76270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08129	0.5
73.02886	0.6
79.05496	26.6
80.05788	0.6
81.03420	5.7
81.07059	27.3
81.30941	0.4
83.04985	8.2
83.08623	18.1
84.04414	0.5
84.08890	0.4
85.02907	4.1
85.06493	1.4
86.09699	2.5
91.03920	0.9
91.05483	24.4
93.07047	22.8
95.01301	0.7
95.04971	35.1
95.08608	13.6
97.02904	2.5
97.06543	4.5
97.10172	10.7
99.00753	1.5
99.04434	3.1
99.08050	0.8
101.02316	0.5
103.05392	1.5
105.04474	1.1
105.07037	21.2
107.04962	10.8
107.08598	21.1
109.02885	2.7
109.05830	0.5
109.06513	6.5
109.09505	0.6
109.10155	7.5
111.04447	7.1
111.08082	4.8
113.05966	0.7
115.05399	1.8
117.07024	10.3
119.04875	1.2
119.05930	0.4
119.08586	19.0
121.06509	6.7
121.10144	11.1
123.04461	2.4
123.08080	5.3
123.11640	1.5
125.05920	1.0
125.09636	9.9
127.03883	1.0
128.06157	1.2
129.07016	3.6
130.07764	0.5
131.08571	10.1
133.06421	1.9
133.10130	15.1
135.04330	0.8
135.08063	9.7
135.11697	7.2
136.07559	0.9
137.08701	0.4
137.09618	3.9
139.07521	1.0
139.11098	1.6
141.07019	0.8
141.09087	0.5
141.10141	0.6
142.07674	0.5
143.08580	4.1
143.10606	0.4
145.04935	0.8
145.06419	3.6
145.10129	13.2
147.04337	0.6
147.08054	4.9
147.10690	0.4
147.11691	6.5
149.05968	0.5
149.09630	15.1
149.13214	1.0
151.07521	0.5
151.11177	2.8
153.09029	1.8
153.12730	3.0
155.08607	2.1
157.10106	2.8
159.07988	2.9
159.09169	0.8
159.11707	6.9
161.08508	0.5
161.09625	5.7
161.13213	1.7
163.06203	0.8
163.07532	3.9
163.11185	18.0
165.09077	0.6
165.12808	2.8
167.08598	0.5
169.10077	2.1
171.07964	0.8
171.10255	0.6
171.11646	1.9
173.09673	2.3
173.11781	0.9
173.13181	2.1
175.11145	2.2
177.09138	0.6
177.12718	2.9
179.10672	2.6
181.12169	2.0
183.11664	1.7
185.13116	0.9
187.11142	2.6
187.14787	1.0
189.09267	0.7
189.11168	7.1
189.12752	1.1
191.10756	2.0
191.14264	0.9
193.12244	9.5
197.13164	1.5
199.11191	0.6
199.14824	0.7
201.12646	0.9
201.16280	0.5
205.12257	3.5
207.13748	0.6
209.11786	0.7
211.13071	0.9
215.17943	1.0
221.11632	0.7
223.13292	18.2
223.15466	0.9
227.12791	4.8
229.19441	1.0
237.14697	0.5
239.18057	2.6
243.17441	1.1
247.20557	1.5
257.19031	3.7
261.18466	1.6
267.15900	0.5
271.16925	3.5
273.18564	0.8
275.20071	33.2
283.15381	4.9
289.18002	13.6
291.19583	0.8
293.21115	22.7
307.18988	3.3
311.22104	1.1
331.22766	0.7
345.20612	0.5
349.23746	17.8
350.24002	0.6
363.21667	7.2
365.23285	1.0
367.24808	40.4
368.25168	0.7
381.22726	63.0
382.23166	1.6
385.83380	0.5
411.29160	0.6
455.51654	0.4
463.30447	1.0
541.34912	0.5
545.35297	0.4
557.34918	3.6
559.36420	0.9
563.37421	0.8
572.52875	0.6
575.35815	3.4
581.38159	1.2
599.39343	1.1
637.41040	8.0
638.41650	0.5
655.42059	36.6
656.42499	1.5
673.43115	100.0
674.43469	4.4
691.44153	3.1
946.03625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71838	0.7
51.02378	1.6
53.03719	0.9
53.03954	15.7
55.89418	0.9
58.46332	0.6
61.02918	0.8
62.17947	0.6
69.03117	0.7
69.84627	3.5
77.03931	5.2
81.03414	2.0
85.02912	1.2
95.04974	17.5
102.04688	3.3
103.04011	2.1
103.05479	100.0
104.10745	0.6
105.04521	7.4
107.77245	0.6
109.64002	0.7
118.02546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.61
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	5.4
73.02918	2.5
77.03917	1.6
78.50549	1.7
79.05494	64.1
81.03416	6.3
81.07056	84.8
83.04984	7.0
83.08620	18.7
85.02907	8.4
85.06538	7.0
86.09710	3.8
87.04500	1.4
91.03957	6.0
91.05483	82.5
92.05769	1.6
93.07045	73.4
95.04997	9.3
95.08608	58.0
97.02879	7.5
97.06516	10.3
97.10172	10.1
99.04463	2.4
99.08082	3.6
103.05470	2.1
105.04517	2.5
105.07030	85.7
107.04967	8.3
107.08593	47.3
109.02845	1.4
109.06529	8.1
109.10156	54.5
111.08096	5.5
111.11694	1.7
113.09650	2.5
115.05394	3.1
116.06220	1.4
117.07020	27.9
118.27259	1.5
119.08583	67.6
121.06509	5.2
121.10141	34.3
123.04312	1.5
123.08076	6.5
123.11703	9.5
125.09666	8.5
127.03871	1.7
128.06197	6.1
129.05484	3.1
129.07016	19.4
130.07774	3.3
131.08569	42.7
133.06487	2.7
133.10132	57.7
135.08095	6.1
135.11694	29.2
137.09615	7.9
137.13286	2.6
141.06987	4.9
141.10234	1.2
142.07764	3.0
143.08571	22.1
144.09305	2.2
145.04977	3.0
145.06477	2.4
145.10126	34.4
147.08044	3.1
147.11696	51.0
149.09567	7.7
149.13260	19.2
151.11151	2.8
155.08582	8.6
155.10674	3.3
156.09410	1.7
157.10143	22.7
159.08144	2.1
159.11696	30.9
161.09659	1.7
161.13257	29.2
163.06039	3.1
163.11227	8.0
163.14832	4.3
165.12778	3.4
167.08546	3.8
169.10110	8.5
170.10883	1.5
171.11688	24.9
173.09612	2.3
173.11740	9.5
173.13271	19.8
175.11209	3.8
175.14833	12.4
177.12737	3.6
179.08549	1.9
179.14351	1.8
181.10158	4.3
183.10306	1.8
183.11656	9.3
184.12613	1.3
185.13263	15.6
187.11179	2.7
187.14827	5.6
189.11189	2.7
189.12715	2.2
191.14333	1.5
193.10173	3.1
195.11667	4.3
195.13678	2.5
197.09647	1.5
197.13293	10.1
199.11256	2.3
199.14798	10.0
201.16383	4.3
203.14355	2.8
207.11748	2.2
207.13631	1.5
209.13264	5.2
211.14772	6.8
213.16425	3.0
215.17958	1.7
221.13303	2.2
221.15295	1.5
223.14792	3.6
225.12698	1.7
225.16457	2.7
227.12730	9.7
229.14330	32.6
229.19479	1.9
231.17514	1.8
231.21077	5.8
235.14754	1.5
237.16374	2.9
239.14278	1.4
239.17993	4.3
241.17276	2.2
241.19547	30.1
243.15887	3.0
249.16277	2.0
251.18037	1.7
257.19016	8.3
259.20578	95.1
261.22064	3.6
267.15894	3.8
269.17435	17.0
271.20660	2.0
275.17331	2.1
275.20099	29.6
277.21732	3.0
285.21848	1.5
287.20349	2.1
293.21066	7.4
297.22025	2.6
315.23251	9.2
323.23810	1.7
325.25482	1.8
331.22769	2.1
333.24258	100.0
334.24762	1.5
335.25711	4.5
339.23236	1.7
347.22058	1.9
349.23911	18.2
351.25583	3.1
365.24066	2.6
365.28317	2.1
367.24918	28.1
385.23715	1.5
417.31497	2.2
421.30768	1.4
435.32468	5.3
439.31891	1.7
447.31296	1.7
453.33554	3.2
469.33017	1.4
485.32648	2.0
487.34314	24.2
489.35596	2.3
501.35693	2.3
501.76062	1.5
503.33832	1.6
505.35196	46.2
509.36044	5.5
513.35797	15.8
515.38135	9.2
525.35107	1.3
527.37360	70.7
533.39569	5.7
543.36884	1.9
545.38452	22.7
551.41022	9.1
557.38190	1.4
567.39923	2.8
589.42096	3.1
595.36102	2.3
607.43555	74.5
608.43817	2.1
613.37317	4.2
625.44617	90.9
626.45532	1.9
631.38269	4.6
635.39233	2.7
643.45636	19.5
649.39246	3.9
653.40326	4.7
671.41443	4.8
689.42627	7.0
733.45844	1.4
751.46722	1.6
769.48761	6.3
787.49377	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	102.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	5.7
56.96568	15.6
57.03435	1.3
58.06604	0.4
58.50543	2.8
58.50769	0.3
60.04535	1.1
61.00833	0.3
61.02932	1.0
67.51071	4.4
70.01331	2.6
70.74758	0.7
74.02452	3.3
74.06085	49.2
74.09726	2.4
76.51616	1.6
79.01864	8.1
84.04512	2.1
85.02905	7.9
85.30056	0.3
86.06093	0.4
88.02383	3.5
90.52668	0.5
93.02727	0.3
100.07606	0.5
102.05542	3.1
102.09187	100.0
103.09560	0.3
103.77576	0.3
115.20591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.6111
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04983	6.0
73.02931	2.9
78.61717	1.3
79.05499	70.1
80.70957	1.6
81.03436	10.4
81.07059	100.0
83.04997	10.1
83.08614	12.2
85.02912	11.5
85.06541	4.1
86.46590	1.5
91.03952	5.3
91.05486	65.3
92.05834	1.6
93.07049	75.8
95.04975	12.7
95.08612	68.1
97.02885	7.3
97.06525	16.8
97.10179	9.2
97.17177	1.5
99.04463	2.3
99.08076	2.9
103.05440	2.6
105.04525	3.5
105.07036	47.3
107.04953	8.4
107.08598	49.5
109.02901	2.7
109.06518	6.7
109.10162	47.1
111.04451	1.8
111.08073	5.2
113.09631	2.2
115.05470	3.6
117.07011	16.7
119.08589	35.6
121.06489	4.6
121.10146	30.4
123.08072	5.3
123.11717	7.5
125.09663	9.7
127.03914	4.6
128.06157	1.9
129.05513	2.0
129.06958	7.4
131.08585	30.5
133.10152	25.7
135.08043	4.0
135.11696	19.9
137.09648	11.7
139.11165	2.6
141.06985	2.2
142.07823	2.5
143.08557	7.2
145.04912	1.6
145.10129	19.0
147.08028	3.0
147.11687	18.9
149.09634	17.1
149.13260	11.7
151.11159	2.2
152.51640	1.3
155.08612	2.0
155.10675	2.0
157.10135	5.9
159.11699	16.5
161.09647	2.1
161.13264	11.9
163.06021	2.1
163.11223	9.5
163.14824	3.5
165.09129	2.3
167.10701	1.4
169.10150	2.7
171.10226	1.4
171.11655	7.0
173.11722	11.0
173.13280	7.4
175.11256	2.2
175.14854	2.4
179.14322	2.6
183.11678	3.4
185.11641	1.6
185.13211	5.0
187.11137	1.7
187.14885	2.3
189.11206	1.9
195.13727	3.0
197.13145	1.9
199.14787	3.8
201.12680	2.0
223.13266	1.8
227.12814	4.3
229.14363	26.5
229.19455	3.2
233.22728	1.4
241.79562	1.6
243.21085	4.1
247.20667	2.6
257.19006	3.9
259.15454	7.5
259.20471	4.2
261.22113	14.2
269.17426	8.4
273.18460	4.1
275.20111	22.5
277.21713	2.0
291.19446	4.8
293.21103	3.3
297.22256	1.5
299.14658	3.3
317.24701	5.2
333.24460	2.6
335.25836	88.0
336.26041	2.0
349.23788	31.8
365.23166	8.0
367.24847	5.4
373.18555	6.5
383.24182	2.2
410.61777	2.0
431.31189	3.3
456.97562	1.6
471.34940	2.1
489.35785	62.6
503.37473	4.8
513.39276	5.0
515.37299	7.2
529.38971	27.9
545.38409	2.7
609.45172	56.7
610.45282	2.3
615.38843	1.9
625.44330	5.1
627.46228	24.4
633.39850	4.0
643.45923	1.9
661.45917	1.6
717.48297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	100.0
57.30104	0.4
59.38093	0.4
67.75538	0.4
70.91713	0.9
74.02444	33.0
74.06086	13.9
74.06420	0.3
75.48957	0.4
84.04510	11.1
85.02911	2.6
87.80149	0.4
94.57704	0.3
102.05548	31.0
106.09689	0.3
111.61934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04997	5.1
71.08633	0.8
73.02893	1.2
77.03909	0.8
79.05498	43.2
80.05820	0.8
81.03421	7.0
81.07060	60.3
81.07746	1.6
83.04980	7.3
83.08620	10.3
84.75047	0.7
85.02903	5.7
85.06536	3.2
91.03964	3.9
91.05485	33.5
92.41743	0.5
93.07048	51.8
95.04970	5.8
95.08612	39.8
97.02898	5.3
97.06538	8.6
97.10161	5.9
99.04412	2.5
99.08054	2.1
103.05422	0.9
105.04489	0.9
105.07037	23.5
107.04975	3.7
107.08598	35.6
109.02803	1.5
109.06532	4.0
109.10164	28.6
110.88849	0.6
111.04372	1.7
111.08089	4.4
113.09646	0.7
115.05408	0.9
116.06252	0.8
117.06266	0.6
117.07031	12.8
119.08585	21.2
120.08924	0.6
121.06470	2.2
121.10148	21.6
123.08086	2.8
123.11733	5.3
125.09646	4.0
127.03871	2.2
128.06155	0.9
129.05432	2.7
129.07022	3.4
131.04883	0.7
131.08572	18.1
133.06476	1.5
133.10139	17.6
134.24559	0.5
135.08089	3.1
135.10742	1.2
135.11702	15.6
137.09644	3.8
137.13234	1.3
139.11125	1.5
141.06953	0.6
143.08559	3.7
144.09178	0.9
145.04918	1.6
145.06390	0.7
145.09065	1.0
145.10133	12.7
147.08035	1.4
147.10681	0.8
147.11707	10.5
149.05930	0.7
149.09630	5.6
149.12209	0.8
149.13266	11.4
151.11189	2.7
153.12733	0.6
155.08514	1.6
155.10635	1.7
157.06454	0.6
157.10118	4.9
159.08000	1.0
159.11699	12.0
161.09581	1.4
161.13264	6.4
163.05994	2.0
163.11197	4.1
163.14835	2.7
165.12718	1.3
169.10074	2.4
171.11746	3.0
173.04433	1.6
173.09587	1.0
173.11703	4.1
173.13214	6.1
175.11186	1.0
175.14786	1.8
177.12767	2.9
179.14278	1.4
181.10132	0.8
183.11696	2.3
185.09595	0.6
185.13181	1.7
187.11154	1.4
187.13040	0.5
187.14803	3.0
189.11229	0.8
189.12694	0.8
189.16408	0.8
193.12279	0.8
195.11926	1.1
195.13797	3.0
197.13254	1.3
199.14815	1.5
201.16437	1.4
203.14297	0.7
203.53084	0.6
205.12392	0.6
207.13763	0.8
211.14920	0.8
213.14645	0.9
213.16507	1.2
219.13802	0.7
227.12733	4.1
229.14343	22.1
229.19205	0.8
233.22758	0.7
239.17940	1.5
241.19485	1.2
243.21207	3.5
247.20572	1.3
249.14732	0.8
257.19083	3.6
259.20547	3.5
260.20819	0.8
261.22144	10.7
267.15952	0.9
269.17499	11.1
273.18497	1.5
275.20068	13.6
276.20462	0.7
277.21771	0.7
289.18167	0.7
289.21634	0.7
291.19730	0.9
293.17563	0.7
293.21179	1.7
303.15836	0.7
307.22913	0.8
317.24805	2.1
331.22665	2.4
333.24356	2.9
334.24625	0.9
335.25812	100.0
336.26230	2.3
337.27484	1.1
339.18033	1.9
347.21985	0.8
349.23730	16.0
367.25128	1.1
369.24298	1.3
381.26355	2.7
387.25385	0.9
395.21045	1.3
399.23819	2.4
405.26407	2.1
413.21707	8.2
437.34232	0.8
443.28134	1.0
455.34787	0.8
461.28384	1.3
479.29886	1.5
489.35770	27.1
490.35696	1.0
503.37747	0.7
505.35190	1.3
507.36652	3.4
511.37808	1.4
515.37146	2.8
517.40497	1.0
527.37158	1.2
529.38922	89.3
530.39362	3.2
535.40973	0.7
545.38440	0.7
547.40564	1.1
569.41998	8.1
571.40112	1.8
583.39374	0.8
591.44269	0.7
595.39478	1.2
608.44739	0.6
609.45172	50.7
610.45532	1.2
613.41241	1.8
623.43280	0.9
625.44177	1.4
626.44940	0.8
627.46161	9.4
633.39862	2.3
637.40887	2.1
641.47925	13.4
655.42090	3.1
659.45435	3.0
673.43231	17.0
674.43506	0.7
691.43848	5.3
713.46143	0.9
735.48035	1.0
753.49359	1.3
771.50220	2.0
799.51990	0.8
803.52673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5957
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05008	5.2
72.08163	1.3
73.02920	2.6
77.03895	2.4
79.05495	82.0
81.03423	11.5
81.07059	100.0
83.04974	14.3
83.08148	1.7
83.08618	23.8
85.02422	1.3
85.02894	9.0
85.06532	4.1
86.09705	1.6
91.03951	2.4
91.05486	82.7
93.07048	74.9
95.04967	21.3
95.08611	46.0
95.09128	0.7
95.09240	1.1
97.02882	4.9
97.06530	10.3
97.09558	1.9
97.10173	26.6
99.04448	3.5
99.08086	4.2
103.05460	4.0
105.03426	1.2
105.04499	2.7
105.07035	80.6
105.81710	1.1
106.07356	1.0
107.04961	13.8
107.08601	48.8
109.02882	1.0
109.06532	12.4
109.09476	1.9
109.10166	23.4
111.04436	12.6
111.08084	10.6
115.05430	4.7
116.06214	1.7
117.07027	33.5
119.04919	1.3
119.08590	62.7
121.06506	8.5
121.10149	28.2
121.11032	1.4
123.04446	1.2
123.08080	22.1
123.11691	3.5
125.05997	1.6
125.08772	1.6
125.09638	23.7
128.06206	5.0
129.05504	2.3
129.07007	19.3
130.07768	2.3
131.08577	41.4
133.06499	3.4
133.10138	47.6
135.08055	8.9
135.11694	21.9
137.09627	8.3
137.13333	1.1
139.11200	2.7
141.06992	4.9
142.07739	3.3
143.08571	18.6
144.09401	1.3
145.06476	3.5
145.10129	35.8
147.08060	9.0
147.11696	37.8
149.09630	12.3
149.13284	10.4
151.07433	1.1
151.11165	2.2
151.33409	0.9
153.07069	1.2
153.09160	4.9
153.12764	8.3
154.07814	1.1
155.08568	7.7
156.09344	1.4
157.06540	1.3
157.10143	19.6
159.08047	4.0
159.10464	2.0
159.11699	23.8
161.09668	8.5
161.13251	20.6
163.11180	17.8
163.14792	3.0
165.09129	4.0
165.12715	1.7
167.08560	3.6
168.09309	1.5
169.10159	9.5
171.08038	1.6
171.10190	2.5
171.11679	18.2
173.09605	5.2
173.11847	1.2
173.13281	11.8
175.11209	5.6
175.14807	7.4
177.09023	1.7
177.12708	3.7
181.10168	3.4
181.12273	9.9
183.11668	8.7
185.09628	2.2
185.13277	11.2
187.11180	2.7
187.14822	3.9
189.11224	16.0
189.12761	2.0
189.16402	1.5
191.10664	4.8
191.14285	1.3
192.09450	1.0
193.10205	1.2
193.12227	6.3
195.11684	4.1
197.13266	5.5
199.11183	2.2
199.14844	7.0
201.12697	1.4
201.16422	2.2
203.14294	1.8
205.12294	1.0
207.11699	2.0
209.13232	3.8
211.14793	2.9
213.12906	1.6
213.16331	2.8
215.17990	1.4
219.13745	1.7
221.13412	1.1
223.13272	4.0
227.12762	15.8
227.17914	1.7
229.14369	2.6
229.19550	1.9
231.21075	2.7
233.13214	1.2
235.17029	1.2
237.16406	2.0
239.17888	2.7
241.15880	1.2
241.19518	18.1
245.13879	2.1
245.18951	2.8
249.14767	1.2
251.17915	1.2
255.17534	2.7
257.19049	8.4
259.20593	47.0
261.21991	1.8
267.15729	1.6
269.17535	3.8
271.17078	1.2
273.18497	19.0
275.20105	12.7
277.21756	2.1
283.15353	3.2
287.20355	1.1
289.17996	2.6
291.19562	49.2
293.21115	3.3
297.22031	2.1
309.20572	9.1
311.23480	1.2
315.23288	6.2
320.66544	1.2
327.23102	1.2
331.22644	2.6
333.24268	64.9
334.24768	1.1
335.25833	2.4
339.26981	1.1
341.24588	1.4
341.28494	1.6
347.22070	3.0
349.23779	10.0
351.25534	1.2
357.24188	1.2
363.21689	1.9
365.23322	25.6
366.52951	1.0
367.24728	4.4
381.22757	2.5
381.27707	1.3
383.24298	26.0
395.29614	2.3
433.30692	1.2
451.32166	1.4
459.26733	1.4
469.33237	1.5
471.57477	1.0
485.33194	1.4
499.34036	3.4
503.33609	3.1
511.34409	1.2
513.36194	10.6
515.37537	4.8
519.33185	1.5
525.35614	3.6
527.37360	1.3
529.35101	3.0
531.38464	6.8
541.34998	1.4
543.36823	17.6
549.39417	7.2
554.36041	2.3
559.36078	1.5
561.37518	2.4
567.40314	4.1
595.43427	1.8
602.83398	1.1
605.32959	1.5
605.41992	16.1
623.43036	92.2
624.43390	2.4
641.44147	75.1
642.43970	2.8
659.44849	3.9
749.45685	2.4
767.46503	1.9
785.48077	1.8
790.74609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05000	3.1
73.02927	0.6
73.06519	0.5
77.03936	0.8
79.05496	35.5
81.03423	6.0
81.07059	37.7
83.04490	0.7
83.04984	11.0
83.08620	35.5
85.02909	5.7
85.06091	0.5
85.06506	2.1
86.09708	0.5
87.61243	0.4
91.03976	1.1
91.05483	33.5
93.03387	0.4
93.07050	36.8
95.01317	1.0
95.04972	59.7
95.08610	23.0
97.02894	2.4
97.06527	5.8
97.10168	12.8
99.04462	5.3
99.08089	1.9
101.06115	0.5
103.05486	2.0
105.04522	1.5
105.07034	32.9
107.04961	14.0
107.08597	28.9
109.06525	9.3
109.10155	11.9
109.25016	0.5
111.04444	10.9
111.07363	0.7
111.08084	7.5
115.05448	1.6
117.06232	0.8
117.07021	12.9
119.08586	27.7
121.06503	6.8
121.10146	19.7
123.04423	1.1
123.08067	9.0
123.11727	2.7
125.05984	1.2
125.09632	11.1
127.03935	0.7
128.06244	1.1
129.07011	5.5
130.07802	1.1
131.04919	0.8
131.08574	19.4
133.06535	2.1
133.10136	19.2
135.08072	6.2
135.11696	11.5
137.06146	0.5
137.09619	4.4
139.07516	0.6
139.11194	3.0
141.06990	2.0
142.07785	1.0
143.08559	5.0
143.10608	0.4
145.04909	0.5
145.06464	2.1
145.10127	26.2
147.08043	5.9
147.11694	13.4
147.12810	0.9
149.09624	28.3
149.13222	3.0
151.11195	2.9
153.09111	2.0
153.12718	3.4
155.08553	3.0
157.10127	4.7
159.08087	1.2
159.11693	11.2
161.09641	3.2
161.13274	5.5
163.06143	0.6
163.11189	33.7
165.09090	1.1
165.12770	5.1
166.88080	0.5
167.10678	0.8
169.10144	4.0
171.10155	1.8
171.11705	4.3
173.09630	3.0
173.11728	1.3
173.13263	5.4
175.11200	3.0
175.14861	1.5
177.12743	4.5
179.14279	1.2
181.10117	0.8
181.12296	3.2
183.11639	2.9
183.13242	0.4
183.13649	0.4
185.11842	0.4
185.13199	2.3
187.11188	4.9
187.14828	1.7
189.11226	10.0
189.12737	1.1
191.10648	2.6
191.14377	1.1
193.12248	1.6
197.13278	2.3
199.14857	1.5
201.12732	1.3
201.16328	0.5
205.12262	4.6
207.13875	0.8
209.11673	0.7
210.14145	0.8
211.13287	1.2
213.16354	1.4
215.14362	0.8
215.17973	1.3
219.13878	0.8
223.13298	35.7
227.12753	3.8
229.14258	0.5
229.19533	3.2
229.35699	0.5
231.17444	0.6
231.21179	0.6
233.15359	0.8
237.14803	0.8
239.17978	5.7
241.19531	1.8
247.20612	2.1
248.71024	0.5
255.65182	0.6
257.19043	10.9
259.20599	4.3
261.22333	0.6
269.17480	1.8
273.18555	2.5
275.20071	66.6
276.20483	0.9
291.19540	6.8
293.21118	45.3
294.21524	0.9
309.20679	1.3
311.22192	2.1
313.21817	1.1
315.23083	0.8
323.43335	0.5
331.22641	2.7
333.24255	5.1
347.22070	0.7
349.23737	62.4
350.24124	0.9
365.23233	2.7
367.24802	100.0
368.25095	1.3
383.24338	4.0
449.28598	0.7
459.30713	0.7
477.32416	0.6
499.34146	0.7
503.33694	0.5
513.35846	1.5
515.33691	0.6
519.33081	0.4
525.35742	1.1
529.35297	0.8
531.37903	1.7
543.36749	3.7
549.39276	1.0
553.35522	0.6
561.37781	1.3
571.36133	1.0
605.41888	1.8
623.43030	34.3
624.44037	1.1
641.44147	75.7
642.44330	1.9
659.45209	80.0
660.45624	2.4
677.46002	1.5
803.49695	0.6
991.85284	0.5
1014.66174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01860	2.5
55.05516	27.8
56.05034	1.4
56.96572	14.5
57.03434	1.5
58.50537	1.3
58.78717	0.6
59.05006	100.0
59.93111	0.7
60.04537	1.0
67.51070	6.3
70.01337	1.6
71.04985	1.6
71.51703	0.9
73.02923	4.2
74.02444	2.3
74.06068	1.1
76.51582	1.1
79.01862	8.3
83.04988	64.1
84.04514	1.2
84.08147	1.3
85.02909	6.0
87.90630	0.7
88.02376	1.9
89.00259	3.0
98.00778	2.7
100.08185	0.6
101.02389	1.2
101.04286	0.7
101.06027	14.7
101.07066	0.6
101.07916	2.8
101.67130	0.6
102.05506	1.6
117.95979	1.8
118.86913	0.7
118.96783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.66208	2.2
79.05495	64.6
81.03423	16.0
81.07058	100.0
83.04980	19.3
83.08160	3.1
83.08620	41.3
84.54902	2.1
85.02894	8.3
85.06522	3.8
86.09699	4.9
91.04909	3.1
91.05485	53.4
93.06496	3.2
93.07047	56.9
95.04974	76.6
95.08607	39.1
97.02911	5.9
97.06554	13.8
97.10170	30.5
98.21519	5.7
99.04453	5.8
99.08093	3.9
105.07030	45.4
107.04963	24.4
107.08600	53.3
109.06518	20.5
109.10155	16.4
111.04453	21.0
111.08061	9.6
115.05421	2.9
117.07037	25.6
119.04937	3.0
119.08585	48.4
120.08039	3.0
121.06503	18.2
121.10139	27.1
123.08081	30.4
123.11715	4.6
125.06020	3.4
125.09640	30.2
126.00885	2.5
128.06226	3.1
129.07005	11.1
130.07809	3.5
131.08572	30.3
133.06473	4.8
133.10115	26.3
135.08080	13.1
135.11684	16.5
137.09599	7.4
139.11220	4.9
141.06984	3.9
143.08525	10.6
145.06441	4.1
145.10117	31.2
147.08075	16.5
147.11697	18.3
149.09641	34.8
149.13232	5.5
151.11185	4.5
153.09114	4.9
153.12700	7.2
155.08554	4.8
157.10170	12.4
159.08035	4.1
159.11671	17.1
161.09621	13.6
161.13290	3.9
163.11191	53.5
165.09129	5.2
165.12756	3.5
169.10063	7.6
171.10324	3.4
171.11723	7.4
173.09616	7.9
173.13200	6.6
175.11238	5.3
177.12762	4.9
179.14345	3.2
181.10150	2.5
181.12212	12.0
183.11707	3.0
185.13266	4.5
186.72426	2.4
187.11281	4.5
189.11227	21.7
191.10638	7.2
193.12288	5.3
197.13432	2.9
199.11177	3.4
205.12173	6.9
223.13271	36.3
227.12814	22.4
245.19022	5.9
247.20659	3.5
255.17297	4.3
257.19031	9.7
273.18484	50.1
275.20053	53.0
283.15427	9.0
291.19562	75.5
293.21143	32.6
309.20572	8.3
327.42096	2.4
329.20969	3.8
347.22244	21.3
348.22644	2.7
349.23792	33.5
365.23227	54.2
367.24811	68.8
383.24323	19.7
385.70245	2.7
528.75775	2.7
621.41339	10.1
639.42499	67.0
640.42603	6.8
657.43573	82.1
658.44354	3.5
675.44788	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
55.87447	0.3
59.01373	0.6
59.05007	100.0
68.09515	0.2
69.03434	0.3
70.44911	0.9
73.02934	0.5
77.63783	0.2
83.05030	0.3
84.04523	0.4
100.98898	2.2
101.06025	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	101.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
55.05510	1.4
59.05006	100.0
69.03432	1.4
70.67770	0.9
72.10890	0.3
73.02920	3.9
83.04992	0.8
84.04510	0.5
85.02922	0.8
97.80957	0.4
101.02354	0.5
101.06026	34.4
101.10806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01878	56.0
55.05515	10.7
55.05762	0.9
56.05044	3.0
56.96569	0.5
57.03442	2.0
57.07084	1.2
58.40979	0.5
59.05007	83.2
59.06130	3.2
60.04534	0.8
68.99800	0.5
69.03440	1.4
70.32247	0.5
70.32599	1.6
71.01408	0.5
71.05007	1.6
72.50318	0.5
73.02925	100.0
74.02448	1.2
74.06086	0.9
83.01365	1.4
83.04983	5.3
84.04498	2.8
84.08152	1.7
85.02915	4.7
89.00279	1.9
91.03961	1.0
98.98464	0.8
100.71069	0.4
100.91614	0.4
100.98896	7.1
100.99487	0.7
101.02393	20.0
101.06029	28.0
101.07122	1.0
101.07943	1.3
101.10797	5.2
102.05566	1.2
117.95997	0.8
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
55.05514	16.4
56.05024	2.3
56.96581	9.9
57.03450	3.0
57.05819	4.8
58.06609	3.5
59.04996	3.7
59.06120	8.0
59.99946	3.7
63.51080	1.9
64.43102	1.6
65.93600	1.6
67.51077	2.7
68.87452	1.9
70.06596	5.6
70.16823	6.2
71.07378	5.7
72.08163	15.6
73.02899	2.5
78.08147	2.8
79.01850	4.8
82.01449	2.4
82.99857	4.4
83.01507	23.4
83.04991	6.7
84.01198	2.5
84.08148	42.6
85.02915	4.9
89.00264	20.7
92.33124	1.7
92.38776	1.8
98.00779	6.9
98.20887	2.0
100.02486	5.6
101.00887	45.4
101.02559	55.2
101.05998	3.7
101.07136	2.3
102.02241	5.4
102.05572	2.8
109.27841	1.8
112.11262	2.8
117.95998	10.9
118.03474	2.0
118.76814	1.7
118.96752	3.5
119.01927	100.0
119.03630	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	1002.6
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01335	0.5
71.04987	2.9
71.08610	0.6
73.02904	1.0
77.03923	1.4
77.93857	0.4
79.05491	50.6
80.06277	0.8
80.06802	0.4
81.03416	10.2
81.07053	73.7
82.07363	0.5
83.04977	10.1
83.08616	16.1
85.02898	7.6
85.06551	1.8
91.03947	2.2
91.05479	32.4
93.07042	48.5
95.04971	15.9
95.08603	39.2
95.09240	0.6
97.02896	4.8
97.06526	7.6
97.09543	0.9
97.10168	18.5
99.04468	1.8
99.08099	2.3
103.05484	1.1
105.04510	1.4
105.07028	27.1
107.04951	7.9
107.08591	30.8
109.02880	0.7
109.06517	7.7
109.10152	18.6
111.04446	10.1
111.08076	7.2
111.08774	0.6
113.06000	0.9
115.05457	1.7
117.07018	13.7
119.04939	0.7
119.08577	24.4
121.06499	5.9
121.10139	20.5
123.04436	1.0
123.08063	16.0
123.11695	4.2
125.06035	0.6
125.09625	18.0
127.03907	1.3
128.06233	1.3
129.06984	7.0
130.07788	1.4
131.04898	0.8
131.08559	17.8
133.06505	2.3
133.10126	13.3
135.08049	6.3
135.11693	15.2
135.12721	0.9
137.09631	4.3
137.13274	1.0
139.11180	2.0
141.07005	1.0
142.07797	1.4
143.08557	4.8
143.10605	0.5
145.04973	0.7
145.06451	0.7
145.10121	15.4
147.08044	8.3
147.09096	0.8
147.11685	9.3
149.09630	5.6
149.13249	5.1
151.07556	0.7
151.11179	1.6
153.09113	2.4
153.12735	5.4
154.07909	0.4
155.05872	0.4
155.08595	1.6
157.06476	0.9
157.10129	5.8
159.08099	1.5
159.11687	7.5
161.09627	6.8
161.13274	3.5
163.06018	0.7
163.11176	13.8
163.14801	2.0
165.09076	2.9
165.12758	1.4
167.08575	0.8
167.10657	0.5
169.10147	2.2
171.07974	0.5
171.10159	1.5
171.11699	3.6
173.09602	3.4
173.11882	0.8
173.13248	3.7
175.11205	4.4
175.14833	1.9
177.12796	2.2
177.16415	0.7
179.10736	0.7
181.10210	1.2
181.12254	5.1
183.11688	1.4
184.07384	0.7
185.09616	0.6
185.13278	2.1
187.11208	1.5
187.14886	1.7
189.11229	10.8
189.12758	1.0
189.16383	1.0
191.10674	4.8
191.14401	0.5
193.12201	5.4
195.11708	0.7
197.13370	0.6
199.11223	1.2
199.14857	1.1
201.16463	0.7
203.18057	0.6
205.12236	0.8
209.11642	0.8
209.13393	0.8
211.13182	3.0
211.15024	0.6
213.12619	0.5
213.16472	1.3
215.14433	0.5
219.17606	0.5
223.13231	3.2
227.12761	11.5
227.14861	0.8
227.18033	1.3
229.14381	0.9
231.13847	0.7
231.17435	0.6
233.15451	0.6
233.22592	0.4
237.16478	1.2
239.18170	0.4
241.19580	0.8
243.21123	1.6
243.53906	0.4
244.46086	0.5
245.13922	1.2
245.18941	2.4
247.20602	0.5
249.14928	1.8
255.17496	2.3
257.19095	0.8
259.20560	2.6
261.22122	7.8
263.20020	0.9
267.15903	1.5
273.15466	1.1
273.18484	22.1
275.20084	2.6
277.21732	0.8
283.15363	2.4
285.16919	2.2
291.19531	49.2
301.16678	0.4
309.20566	9.3
317.24863	1.5
329.20999	0.6
333.24222	2.2
335.25790	100.0
336.26291	0.7
347.18185	0.8
347.22144	6.3
349.23795	1.5
365.23227	36.7
367.25189	0.6
383.24274	21.4
396.98419	0.4
431.31607	1.0
453.33850	0.6
489.35345	0.5
505.35178	2.2
515.38086	0.9
527.37360	2.4
529.38586	1.0
533.39893	1.4
543.37030	1.1
545.38367	10.6
551.40656	1.9
561.38000	2.7
569.41901	1.6
597.44977	0.8
607.43695	6.3
609.45142	0.9
625.44592	68.2
626.44836	1.7
643.45667	71.0
644.45874	1.6
769.49176	0.9
787.49567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47411	1.3
71.04987	3.8
73.02926	2.4
77.03932	1.3
79.05495	64.7
81.03426	11.0
81.07059	100.0
83.04980	15.8
83.08618	19.5
83.09109	0.8
85.02907	9.9
85.06554	2.8
87.04465	1.0
91.03978	2.9
91.05484	43.4
92.05815	0.8
93.07046	59.2
95.04976	19.1
95.08608	44.0
97.02897	5.8
97.06528	10.7
97.10173	28.6
99.04456	2.8
99.08083	2.8
103.05473	1.2
105.03435	1.0
105.04500	2.8
105.07037	30.3
107.04965	11.6
107.08600	40.3
109.06531	9.9
109.10159	23.7
109.10928	0.8
111.04450	16.2
111.08080	8.6
113.06042	0.6
115.05460	2.1
116.06215	0.9
117.07024	16.6
119.04926	0.9
119.08588	31.5
121.06512	9.6
121.10145	26.3
123.04480	1.4
123.08073	27.3
123.11691	4.6
125.05997	1.3
125.09632	25.9
127.03899	1.7
127.07574	0.6
128.06247	2.4
129.07013	7.3
130.07791	1.1
131.08578	19.7
133.06522	3.1
133.10147	15.5
135.08066	10.0
135.11688	18.1
137.09613	7.2
137.13231	1.4
139.11166	3.9
141.06989	1.6
142.07758	0.9
143.08554	7.2
143.10681	1.4
145.05002	1.4
145.06506	2.5
145.10130	21.0
147.08057	11.5
147.11690	11.8
149.09624	7.8
149.13248	7.3
151.07632	0.6
151.11172	1.4
153.09099	4.9
153.12750	7.1
155.08556	2.5
157.10147	7.4
159.08073	3.1
159.11694	9.7
161.09610	8.3
161.13235	5.2
161.25755	0.6
161.68785	0.6
163.06056	0.8
163.11194	22.8
163.14828	2.3
165.09090	7.2
165.12718	1.6
169.10141	2.0
170.10904	0.7
171.08006	0.9
171.10167	2.7
171.11700	5.3
173.09634	4.8
173.11855	0.9
173.13274	4.4
175.11176	5.7
175.14819	2.3
177.12759	2.8
179.10713	1.3
181.10110	1.4
181.12224	10.5
183.11731	2.3
185.09627	2.3
185.13232	4.3
187.11211	1.4
187.14839	2.1
189.11224	19.0
189.12767	2.1
189.16350	0.8
191.10638	6.7
193.12256	6.2
194.12473	0.7
195.11725	2.1
195.13763	0.7
197.13332	1.3
199.11183	1.8
199.14871	1.8
201.16376	1.0
203.10666	0.8
203.14320	1.1
205.12256	1.1
207.11719	0.8
207.13795	0.7
209.11812	1.6
211.13203	1.0
211.14981	1.2
213.12923	0.8
213.16475	1.0
217.19502	0.8
223.13229	4.4
227.12762	18.8
227.17966	2.6
229.19626	0.9
231.13954	0.9
231.17413	1.5
237.16466	1.3
241.19679	0.9
243.21059	2.5
245.13879	0.9
245.18985	4.3
248.38058	0.7
249.14870	2.7
255.17410	2.8
257.19049	1.1
259.20551	2.8
261.22165	7.6
263.20078	2.0
267.15833	0.9
273.18506	34.4
275.20139	3.0
277.21838	0.8
283.15472	3.3
291.19547	88.1
292.20029	1.0
293.20947	0.8
309.17020	1.5
309.20587	20.8
317.24777	1.7
327.27075	0.8
333.24326	3.4
335.25806	94.8
336.26120	1.3
347.22189	7.0
349.23895	1.2
363.21924	0.7
365.23242	55.1
367.24753	0.8
383.24289	41.3
431.31494	1.2
453.24396	0.7
458.77161	0.6
487.34171	0.8
501.36133	1.0
505.35104	1.9
515.37292	1.1
527.36926	1.3
529.38104	1.0
533.39825	2.1
545.38397	2.1
551.41113	2.9
561.37482	1.2
565.42163	0.7
597.44568	0.8
607.43799	7.8
625.44629	71.8
626.44525	1.9
643.45685	96.2
644.46265	1.2
769.48743	0.6
1021.22186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04948	1.9
71.08604	0.6
71.51813	0.8
73.02867	1.9
73.03249	0.7
77.03903	1.1
79.05496	33.9
80.65147	0.5
81.03424	5.2
81.07059	47.1
83.04981	4.8
83.08630	8.3
85.02905	8.0
85.06493	1.1
91.03941	3.4
91.05482	25.4
93.03379	0.6
93.07048	37.4
95.04977	8.2
95.08610	27.9
95.09174	0.7
97.02889	5.3
97.06525	4.7
97.10181	9.0
99.00793	1.1
99.04425	1.5
99.08046	1.9
103.05432	1.4
105.04446	1.4
105.07032	17.4
107.04958	5.4
107.08597	23.6
109.02880	3.5
109.06520	6.5
109.10157	14.6
111.04412	2.7
111.08102	2.8
115.05402	1.3
117.07022	9.2
119.04900	0.9
119.08589	16.2
121.06523	4.9
121.09373	1.1
121.10150	15.9
123.04385	1.7
123.08073	3.2
123.11710	4.1
125.09637	8.3
127.03873	1.6
127.53161	0.6
128.06201	1.5
129.07005	3.0
131.08574	11.6
133.06439	1.8
133.10133	12.7
135.04440	0.8
135.08067	10.7
135.11694	9.6
137.05975	0.7
137.09593	3.9
137.13203	0.9
139.07512	1.3
139.11137	0.8
141.07007	0.7
143.08534	3.5
145.04909	2.3
145.06425	2.1
145.10141	8.8
147.07977	2.2
147.11691	6.2
149.09586	2.5
149.13272	5.4
151.11143	2.0
153.09082	2.0
153.12700	2.3
155.08514	1.6
157.10146	3.3
159.08069	4.2
159.11652	6.0
161.09642	5.8
161.13242	3.3
163.06007	2.0
163.07510	5.5
163.11143	3.4
163.14803	1.6
165.12732	0.8
167.08513	0.7
169.10056	1.4
171.07961	0.6
171.10156	1.0
171.11647	1.4
173.09567	1.0
173.13261	3.8
175.11124	1.6
175.14822	0.9
177.09077	0.9
177.12799	0.9
179.10677	2.2
181.10028	0.6
181.12212	1.6
183.11662	1.1
185.09575	0.9
185.13219	1.8
187.11209	1.4
187.14786	2.1
189.09132	1.6
189.11165	4.0
189.12759	1.2
191.10638	2.0
193.12236	9.0
197.13274	0.8
201.12851	0.7
201.16364	0.8
205.12230	0.7
211.13098	0.8
215.60484	0.6
225.16452	1.0
227.12761	7.6
239.17937	0.8
243.17406	1.9
243.21043	3.7
245.13889	1.3
257.19028	0.8
259.20590	1.4
261.18564	2.6
261.22116	13.8
271.17041	4.4
273.18600	1.0
273.22186	1.3
275.20010	2.5
279.23184	0.9
283.15460	3.1
287.23553	0.8
289.17990	15.7
289.21347	0.9
291.19553	2.2
293.21164	1.0
307.18967	4.6
317.24857	2.1
331.22696	1.0
333.24164	1.1
335.25815	89.1
336.26251	0.9
349.23730	2.0
363.21695	6.0
365.23230	1.6
367.25015	1.5
379.29800	1.3
381.22729	67.4
382.23154	1.0
397.31152	3.2
415.31952	1.0
420.31842	0.6
451.31982	1.1
453.33542	0.8
487.34406	0.8
499.34088	1.0
513.36023	1.2
515.37396	2.2
517.35217	1.2
525.35358	0.8
527.37219	1.2
531.38116	1.3
543.36853	8.1
549.39331	2.2
561.37988	1.4
567.40576	1.7
605.42206	1.7
623.43036	18.9
641.44147	100.0
642.44421	2.4
659.44928	3.1
745.79352	0.7
868.91364	0.6
976.19287	0.6
1007.49457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04949	1.7
73.02870	2.3
73.03230	0.5
77.03883	1.5
79.05496	39.8
81.03423	6.4
81.07058	50.6
81.07746	1.5
82.07331	0.5
83.04981	6.2
83.08622	10.9
85.02907	9.5
85.06482	1.4
86.09681	0.6
91.03967	4.1
91.05484	28.2
93.07045	40.3
95.04974	8.2
95.08610	30.7
97.02896	6.1
97.06033	0.5
97.06518	5.5
97.10174	11.0
98.21561	0.7
99.00771	2.0
99.04415	1.6
99.08038	1.6
103.05452	1.0
105.04476	1.5
105.07035	19.9
107.04336	0.6
107.04958	7.1
107.08596	26.2
109.02880	4.9
109.06521	7.5
109.10162	14.9
111.04444	3.6
111.08094	3.8
115.03913	0.7
115.05406	1.4
116.06199	0.8
117.06255	0.7
117.07024	10.9
119.04928	1.2
119.08584	17.7
121.02856	0.8
121.06519	4.6
121.10147	14.2
123.04417	2.5
123.08083	3.7
123.10931	0.6
123.11701	5.3
125.08807	0.8
125.09637	10.4
127.03870	2.0
128.06213	1.2
129.06975	3.1
130.07710	0.9
131.08574	11.7
133.06436	1.7
133.07359	0.6
133.09149	0.9
133.10133	16.2
135.04361	1.2
135.08058	11.9
135.11702	11.7
137.05917	1.2
137.09608	5.0
137.13199	1.2
139.07474	1.3
141.06943	0.9
142.07747	0.8
143.08574	4.0
145.04924	2.1
145.06476	3.8
145.09050	0.8
145.10117	10.4
147.08049	3.6
147.11691	6.7
149.05865	0.7
149.09641	2.9
149.13254	4.3
151.11188	3.1
153.09166	2.3
153.12791	3.2
155.08505	1.9
157.10092	3.0
159.08041	4.4
159.11681	6.3
161.09639	6.0
161.13271	4.0
163.05971	2.2
163.07503	6.6
163.11194	4.1
163.14796	2.2
165.09134	0.5
169.10155	2.4
171.08081	1.1
171.10222	1.1
171.11642	1.8
173.09627	1.8
173.12068	0.4
173.13271	4.0
175.11107	1.6
175.14775	1.6
177.09015	1.0
177.12721	0.7
177.16330	0.6
179.08643	0.5
179.10643	2.0
179.14323	0.5
181.12187	1.6
183.11613	1.6
185.09587	0.7
185.13190	1.3
187.11139	1.7
187.14771	1.8
189.09265	1.0
189.11179	5.9
189.12712	1.2
191.10625	1.7
193.12241	12.2
197.13225	0.7
199.14850	1.4
201.16371	1.1
203.14203	0.8
207.10066	0.7
209.11664	0.8
211.13213	1.2
217.15942	0.5
221.11711	0.7
223.13066	0.5
225.11169	1.2
225.16245	0.7
227.12776	10.6
243.17462	2.2
243.21089	3.8
245.13756	0.8
253.16071	0.9
259.20618	1.4
261.18509	3.3
261.22113	10.8
263.16418	0.7
271.16916	3.5
273.18506	1.9
273.21829	0.6
275.20139	0.8
277.21661	1.0
279.23138	0.9
283.15405	4.1
289.17984	19.0
291.19611	2.4
291.23013	0.9
299.23792	0.9
307.19003	5.3
313.21722	0.6
315.23181	0.6
317.24759	1.9
331.22543	0.8
333.24246	2.0
335.25809	80.1
336.26022	1.3
345.20505	0.7
349.23737	1.0
363.21640	8.2
365.23517	1.0
379.30060	1.8
381.22726	100.0
382.23114	1.0
397.31113	3.1
415.32153	0.6
451.32089	0.7
469.33362	1.1
499.33884	0.7
513.36749	1.2
515.37177	2.0
517.35260	1.0
525.35803	0.9
527.37451	1.2
531.37427	1.6
533.38892	0.7
543.36786	8.3
549.39673	0.8
561.37842	1.5
567.40393	2.1
605.41821	1.7
623.43079	23.6
641.44135	79.1
642.44312	1.5
659.45111	4.0
876.11792	0.5
END